Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 3972. 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 04-Nov-2016 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\jfa14\Desktop\comp TS\Exercise\2\exo\JFA14 DA exo TS.c hk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity integral=grid= ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,14=-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=4,14=-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=1,14=-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 1.54764 -1.15533 0.49635 C 2.61166 -0.69963 -0.30172 C 2.61166 0.69962 -0.30173 C 1.54764 1.15532 0.49635 H 1.36635 -2.19489 0.74683 H 3.24201 -1.32884 -0.92125 H 3.24201 1.32883 -0.92126 H 1.36635 2.19489 0.74682 C 1.15448 0. 1.38385 H 0.1293 0. 1.753 H 1.82328 0. 2.26041 C -0.11035 0.70566 -0.91947 C -0.11036 -0.70567 -0.91947 C -1.19648 -1.45973 -0.24931 C -2.19136 -0.67194 0.53322 C -2.19136 0.67195 0.53322 C -1.19647 1.45974 -0.24931 H 0.35268 1.24909 -1.73496 H 0.35267 -1.2491 -1.73496 H -2.93074 -1.25606 1.07554 H -2.93073 1.25608 1.07553 O -1.30457 2.67985 -0.33485 O -1.30459 -2.67985 -0.33485 Add virtual bond connecting atoms C12 and C4 Dist= 4.21D+00. Add virtual bond connecting atoms C13 and C1 Dist= 4.21D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.406 calculate D2E/DX2 analytically ! ! R2 R(1,5) 1.0846 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.509 calculate D2E/DX2 analytically ! ! R4 R(1,13) 2.2261 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.3993 calculate D2E/DX2 analytically ! ! R6 R(2,6) 1.0849 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.406 calculate D2E/DX2 analytically ! ! R8 R(3,7) 1.0849 calculate D2E/DX2 analytically ! ! R9 R(4,8) 1.0846 calculate D2E/DX2 analytically ! ! R10 R(4,9) 1.509 calculate D2E/DX2 analytically ! ! R11 R(4,12) 2.2261 calculate D2E/DX2 analytically ! ! R12 R(9,10) 1.0896 calculate D2E/DX2 analytically ! ! R13 R(9,11) 1.1026 calculate D2E/DX2 analytically ! ! R14 R(12,13) 1.4113 calculate D2E/DX2 analytically ! ! R15 R(12,17) 1.4824 calculate D2E/DX2 analytically ! ! R16 R(12,18) 1.0839 calculate D2E/DX2 analytically ! ! R17 R(13,14) 1.4824 calculate D2E/DX2 analytically ! ! R18 R(13,19) 1.0839 calculate D2E/DX2 analytically ! ! R19 R(14,15) 1.4909 calculate D2E/DX2 analytically ! ! R20 R(14,23) 1.2279 calculate D2E/DX2 analytically ! ! R21 R(15,16) 1.3439 calculate D2E/DX2 analytically ! ! R22 R(15,20) 1.0872 calculate D2E/DX2 analytically ! ! R23 R(16,17) 1.4909 calculate D2E/DX2 analytically ! ! R24 R(16,21) 1.0872 calculate D2E/DX2 analytically ! ! R25 R(17,22) 1.2279 calculate D2E/DX2 analytically ! ! A1 A(2,1,5) 124.6289 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 106.4323 calculate D2E/DX2 analytically ! ! A3 A(2,1,13) 97.8837 calculate D2E/DX2 analytically ! ! A4 A(5,1,9) 123.6749 calculate D2E/DX2 analytically ! ! A5 A(5,1,13) 102.474 calculate D2E/DX2 analytically ! ! A6 A(9,1,13) 91.453 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 108.9121 calculate D2E/DX2 analytically ! ! A8 A(1,2,6) 125.1607 calculate D2E/DX2 analytically ! ! A9 A(3,2,6) 125.4473 calculate D2E/DX2 analytically ! ! A10 A(2,3,4) 108.9121 calculate D2E/DX2 analytically ! ! A11 A(2,3,7) 125.4473 calculate D2E/DX2 analytically ! ! A12 A(4,3,7) 125.1607 calculate D2E/DX2 analytically ! ! A13 A(3,4,8) 124.6289 calculate D2E/DX2 analytically ! ! A14 A(3,4,9) 106.4322 calculate D2E/DX2 analytically ! ! A15 A(3,4,12) 97.8837 calculate D2E/DX2 analytically ! ! A16 A(8,4,9) 123.6749 calculate D2E/DX2 analytically ! ! A17 A(8,4,12) 102.4739 calculate D2E/DX2 analytically ! ! A18 A(9,4,12) 91.4532 calculate D2E/DX2 analytically ! ! A19 A(1,9,4) 99.9269 calculate D2E/DX2 analytically ! ! A20 A(1,9,10) 116.3848 calculate D2E/DX2 analytically ! ! A21 A(1,9,11) 108.0316 calculate D2E/DX2 analytically ! ! A22 A(4,9,10) 116.3848 calculate D2E/DX2 analytically ! ! A23 A(4,9,11) 108.0315 calculate D2E/DX2 analytically ! ! A24 A(10,9,11) 107.5402 calculate D2E/DX2 analytically ! ! A25 A(4,12,13) 101.6535 calculate D2E/DX2 analytically ! ! A26 A(4,12,17) 98.9413 calculate D2E/DX2 analytically ! ! A27 A(4,12,18) 93.3868 calculate D2E/DX2 analytically ! ! A28 A(13,12,17) 120.577 calculate D2E/DX2 analytically ! ! A29 A(13,12,18) 120.0916 calculate D2E/DX2 analytically ! ! A30 A(17,12,18) 113.46 calculate D2E/DX2 analytically ! ! A31 A(1,13,12) 101.6532 calculate D2E/DX2 analytically ! ! A32 A(1,13,14) 98.9415 calculate D2E/DX2 analytically ! ! A33 A(1,13,19) 93.3868 calculate D2E/DX2 analytically ! ! A34 A(12,13,14) 120.577 calculate D2E/DX2 analytically ! ! A35 A(12,13,19) 120.0916 calculate D2E/DX2 analytically ! ! A36 A(14,13,19) 113.4602 calculate D2E/DX2 analytically ! ! A37 A(13,14,15) 117.2212 calculate D2E/DX2 analytically ! ! A38 A(13,14,23) 122.5814 calculate D2E/DX2 analytically ! ! A39 A(15,14,23) 120.1902 calculate D2E/DX2 analytically ! ! A40 A(14,15,16) 121.8975 calculate D2E/DX2 analytically ! ! A41 A(14,15,20) 115.5781 calculate D2E/DX2 analytically ! ! A42 A(16,15,20) 122.4986 calculate D2E/DX2 analytically ! ! A43 A(15,16,17) 121.8975 calculate D2E/DX2 analytically ! ! A44 A(15,16,21) 122.4987 calculate D2E/DX2 analytically ! ! A45 A(17,16,21) 115.5781 calculate D2E/DX2 analytically ! ! A46 A(12,17,16) 117.2212 calculate D2E/DX2 analytically ! ! A47 A(12,17,22) 122.5813 calculate D2E/DX2 analytically ! ! A48 A(16,17,22) 120.1903 calculate D2E/DX2 analytically ! ! D1 D(5,1,2,3) -174.109 calculate D2E/DX2 analytically ! ! D2 D(5,1,2,6) 13.4959 calculate D2E/DX2 analytically ! ! D3 D(9,1,2,3) -19.12 calculate D2E/DX2 analytically ! ! D4 D(9,1,2,6) 168.4848 calculate D2E/DX2 analytically ! ! D5 D(13,1,2,3) 74.752 calculate D2E/DX2 analytically ! ! D6 D(13,1,2,6) -97.6431 calculate D2E/DX2 analytically ! ! D7 D(2,1,9,4) 28.7965 calculate D2E/DX2 analytically ! ! D8 D(2,1,9,10) 154.9843 calculate D2E/DX2 analytically ! ! D9 D(2,1,9,11) -83.9993 calculate D2E/DX2 analytically ! ! D10 D(5,1,9,4) -175.9146 calculate D2E/DX2 analytically ! ! D11 D(5,1,9,10) -49.7269 calculate D2E/DX2 analytically ! ! D12 D(5,1,9,11) 71.2896 calculate D2E/DX2 analytically ! ! D13 D(13,1,9,4) -69.8611 calculate D2E/DX2 analytically ! ! D14 D(13,1,9,10) 56.3266 calculate D2E/DX2 analytically ! ! D15 D(13,1,9,11) 177.3431 calculate D2E/DX2 analytically ! ! D16 D(2,1,13,12) -68.7366 calculate D2E/DX2 analytically ! ! D17 D(2,1,13,14) 167.3291 calculate D2E/DX2 analytically ! ! D18 D(2,1,13,19) 52.9341 calculate D2E/DX2 analytically ! ! D19 D(5,1,13,12) 163.0797 calculate D2E/DX2 analytically ! ! D20 D(5,1,13,14) 39.1455 calculate D2E/DX2 analytically ! ! D21 D(5,1,13,19) -75.2495 calculate D2E/DX2 analytically ! ! D22 D(9,1,13,12) 38.0725 calculate D2E/DX2 analytically ! ! D23 D(9,1,13,14) -85.8617 calculate D2E/DX2 analytically ! ! D24 D(9,1,13,19) 159.7433 calculate D2E/DX2 analytically ! ! D25 D(1,2,3,4) 0.0 calculate D2E/DX2 analytically ! ! D26 D(1,2,3,7) -172.368 calculate D2E/DX2 analytically ! ! D27 D(6,2,3,4) 172.368 calculate D2E/DX2 analytically ! ! D28 D(6,2,3,7) 0.0 calculate D2E/DX2 analytically ! ! D29 D(2,3,4,8) 174.1089 calculate D2E/DX2 analytically ! ! D30 D(2,3,4,9) 19.1201 calculate D2E/DX2 analytically ! ! D31 D(2,3,4,12) -74.7522 calculate D2E/DX2 analytically ! ! D32 D(7,3,4,8) -13.496 calculate D2E/DX2 analytically ! ! D33 D(7,3,4,9) -168.4848 calculate D2E/DX2 analytically ! ! D34 D(7,3,4,12) 97.6429 calculate D2E/DX2 analytically ! ! D35 D(3,4,9,1) -28.7965 calculate D2E/DX2 analytically ! ! D36 D(3,4,9,10) -154.9843 calculate D2E/DX2 analytically ! ! D37 D(3,4,9,11) 83.9993 calculate D2E/DX2 analytically ! ! D38 D(8,4,9,1) 175.9147 calculate D2E/DX2 analytically ! ! D39 D(8,4,9,10) 49.727 calculate D2E/DX2 analytically ! ! D40 D(8,4,9,11) -71.2894 calculate D2E/DX2 analytically ! ! D41 D(12,4,9,1) 69.8612 calculate D2E/DX2 analytically ! ! D42 D(12,4,9,10) -56.3265 calculate D2E/DX2 analytically ! ! D43 D(12,4,9,11) -177.3429 calculate D2E/DX2 analytically ! ! D44 D(3,4,12,13) 68.7368 calculate D2E/DX2 analytically ! ! D45 D(3,4,12,17) -167.329 calculate D2E/DX2 analytically ! ! D46 D(3,4,12,18) -52.9341 calculate D2E/DX2 analytically ! ! D47 D(8,4,12,13) -163.0796 calculate D2E/DX2 analytically ! ! D48 D(8,4,12,17) -39.1453 calculate D2E/DX2 analytically ! ! D49 D(8,4,12,18) 75.2495 calculate D2E/DX2 analytically ! ! D50 D(9,4,12,13) -38.0724 calculate D2E/DX2 analytically ! ! D51 D(9,4,12,17) 85.8619 calculate D2E/DX2 analytically ! ! D52 D(9,4,12,18) -159.7433 calculate D2E/DX2 analytically ! ! D53 D(4,12,13,1) 0.0 calculate D2E/DX2 analytically ! ! D54 D(4,12,13,14) 107.8295 calculate D2E/DX2 analytically ! ! D55 D(4,12,13,19) -100.9077 calculate D2E/DX2 analytically ! ! D56 D(17,12,13,1) -107.8296 calculate D2E/DX2 analytically ! ! D57 D(17,12,13,14) 0.0 calculate D2E/DX2 analytically ! ! D58 D(17,12,13,19) 151.2627 calculate D2E/DX2 analytically ! ! D59 D(18,12,13,1) 100.9079 calculate D2E/DX2 analytically ! ! D60 D(18,12,13,14) -151.2625 calculate D2E/DX2 analytically ! ! D61 D(18,12,13,19) 0.0002 calculate D2E/DX2 analytically ! ! D62 D(4,12,17,16) -103.081 calculate D2E/DX2 analytically ! ! D63 D(4,12,17,22) 77.8966 calculate D2E/DX2 analytically ! ! D64 D(13,12,17,16) 6.216 calculate D2E/DX2 analytically ! ! D65 D(13,12,17,22) -172.8064 calculate D2E/DX2 analytically ! ! D66 D(18,12,17,16) 159.2486 calculate D2E/DX2 analytically ! ! D67 D(18,12,17,22) -19.7738 calculate D2E/DX2 analytically ! ! D68 D(1,13,14,15) 103.0808 calculate D2E/DX2 analytically ! ! D69 D(1,13,14,23) -77.897 calculate D2E/DX2 analytically ! ! D70 D(12,13,14,15) -6.216 calculate D2E/DX2 analytically ! ! D71 D(12,13,14,23) 172.8062 calculate D2E/DX2 analytically ! ! D72 D(19,13,14,15) -159.2488 calculate D2E/DX2 analytically ! ! D73 D(19,13,14,23) 19.7735 calculate D2E/DX2 analytically ! ! D74 D(13,14,15,16) 6.3039 calculate D2E/DX2 analytically ! ! D75 D(13,14,15,20) -175.499 calculate D2E/DX2 analytically ! ! D76 D(23,14,15,16) -172.743 calculate D2E/DX2 analytically ! ! D77 D(23,14,15,20) 5.4541 calculate D2E/DX2 analytically ! ! D78 D(14,15,16,17) 0.0 calculate D2E/DX2 analytically ! ! D79 D(14,15,16,21) 178.0717 calculate D2E/DX2 analytically ! ! D80 D(20,15,16,17) -178.0718 calculate D2E/DX2 analytically ! ! D81 D(20,15,16,21) 0.0 calculate D2E/DX2 analytically ! ! D82 D(15,16,17,12) -6.3039 calculate D2E/DX2 analytically ! ! D83 D(15,16,17,22) 172.7431 calculate D2E/DX2 analytically ! ! D84 D(21,16,17,12) 175.4991 calculate D2E/DX2 analytically ! ! D85 D(21,16,17,22) -5.4539 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 1.547637 -1.155326 0.496353 2 6 0 2.611657 -0.699633 -0.301724 3 6 0 2.611657 0.699621 -0.301727 4 6 0 1.547637 1.155318 0.496347 5 1 0 1.366347 -2.194893 0.746833 6 1 0 3.242008 -1.328841 -0.921253 7 1 0 3.242008 1.328826 -0.921259 8 1 0 1.366348 2.194886 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000001 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196481 -1.459734 -0.249314 15 6 0 -2.191363 -0.671936 0.533224 16 6 0 -2.191358 0.671950 0.533224 17 6 0 -1.196469 1.459739 -0.249314 18 1 0 0.352678 1.249088 -1.734962 19 1 0 0.352670 -1.249096 -1.734959 20 1 0 -2.930741 -1.256057 1.075535 21 1 0 -2.930731 1.256077 1.075534 22 8 0 -1.304569 2.679852 -0.334850 23 8 0 -1.304594 -2.679846 -0.334851 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.405959 0.000000 3 C 2.282520 1.399254 0.000000 4 C 2.310644 2.282520 1.405959 0.000000 5 H 1.084576 2.210446 3.320916 3.364450 0.000000 6 H 2.215989 1.084925 2.212648 3.324384 2.655308 7 H 3.324384 2.212648 1.084925 2.215988 4.326341 8 H 3.364450 3.320916 2.210445 1.084576 4.389779 9 C 1.508974 2.335384 2.335384 1.508974 2.295262 10 H 2.219374 3.297496 3.297496 2.219375 2.712971 11 H 2.126654 2.770477 2.770477 2.126653 2.705044 12 C 2.866487 3.125026 2.791230 2.226127 3.656558 13 C 2.226136 2.791236 3.125027 2.866486 2.678619 14 C 2.859872 3.883609 4.378068 3.863249 2.846200 15 C 3.770298 4.875131 5.064318 4.161771 3.875865 16 C 4.161776 5.064319 4.875127 3.770290 4.574023 17 C 3.863250 4.378066 3.883600 2.859860 4.573475 18 H 3.491117 3.309784 2.731128 2.532876 4.364383 19 H 2.532882 2.731134 3.309785 3.491114 2.842774 20 H 4.516798 5.737998 6.036531 5.119185 4.410717 21 H 5.119189 6.036531 5.737992 4.516790 5.521061 22 O 4.851244 5.172895 4.388535 3.339187 5.662770 23 O 3.339204 4.388549 5.172902 4.851247 2.922182 6 7 8 9 10 6 H 0.000000 7 H 2.657667 0.000000 8 H 4.326341 2.655307 0.000000 9 C 3.381879 3.381878 2.295262 0.000000 10 H 4.313515 4.313514 2.712971 1.089615 0.000000 11 H 3.728481 3.728480 2.705042 1.102568 1.768346 12 C 3.921417 3.409786 2.678609 2.720851 2.774434 13 C 3.409794 3.921417 3.656555 2.720854 2.774435 14 C 4.490971 5.284672 4.573470 3.213261 2.810299 15 C 5.662910 5.969932 4.574014 3.517059 2.706441 16 C 5.969936 5.662903 3.875852 3.517058 2.706441 17 C 5.284672 4.490961 2.846184 3.213257 2.810297 18 H 3.956775 3.002782 2.842766 3.453998 3.711604 19 H 3.002791 3.956774 4.364378 3.453999 3.711603 20 H 6.488088 6.983669 5.521054 4.285060 3.376460 21 H 6.983671 6.488080 4.410703 4.285058 3.376459 22 O 6.089733 4.779175 2.922158 4.022743 3.687372 23 O 4.779192 6.089739 5.662770 4.022752 3.687376 11 12 13 14 15 11 H 0.000000 12 C 3.787944 0.000000 13 C 3.787948 1.411331 0.000000 14 C 4.189095 2.513510 1.482359 0.000000 15 C 4.421771 2.887682 2.538118 1.490900 0.000000 16 C 4.421768 2.538118 2.887683 2.479158 1.343886 17 C 4.189087 1.482360 2.513511 2.919473 2.479157 18 H 4.436878 1.083852 2.168064 3.456119 3.912435 19 H 4.436881 2.168063 1.083851 2.156705 3.456859 20 H 5.057901 3.972781 3.498219 2.191887 1.087188 21 H 5.057896 3.498219 3.972781 3.484031 2.134947 22 O 4.868309 2.380202 3.637261 4.141880 3.574135 23 O 4.868324 3.637261 2.380202 1.227876 2.360427 16 17 18 19 20 16 C 0.000000 17 C 1.490900 0.000000 18 H 3.456859 2.156706 0.000000 19 H 3.912435 3.456119 2.498184 0.000000 20 H 2.134947 3.484031 4.995547 4.322003 0.000000 21 H 1.087188 2.191886 4.322003 4.995546 2.512134 22 O 2.360427 1.227875 2.598820 4.488138 4.486090 23 O 3.574135 4.141880 4.488138 2.598821 2.580837 21 22 23 21 H 0.000000 22 O 2.580837 0.000000 23 O 4.486089 5.359698 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] 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 1.547636 -1.155327 0.496353 2 6 0 2.611657 -0.699634 -0.301724 3 6 0 2.611657 0.699620 -0.301727 4 6 0 1.547638 1.155317 0.496347 5 1 0 1.366346 -2.194894 0.746833 6 1 0 3.242007 -1.328843 -0.921253 7 1 0 3.242009 1.328824 -0.921259 8 1 0 1.366349 2.194885 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000000 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196482 -1.459733 -0.249314 15 6 0 -2.191363 -0.671935 0.533224 16 6 0 -2.191358 0.671951 0.533224 17 6 0 -1.196468 1.459740 -0.249314 18 1 0 0.352679 1.249088 -1.734962 19 1 0 0.352669 -1.249096 -1.734959 20 1 0 -2.930742 -1.256055 1.075535 21 1 0 -2.930730 1.256079 1.075534 22 8 0 -1.304568 2.679853 -0.334850 23 8 0 -1.304595 -2.679845 -0.334851 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239595 0.8867608 0.5915310 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 2.924609071646 -2.183251048827 0.937971276317 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 2.924609071646 -2.183251048827 0.937971276317 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 2.924609071646 -2.183251048827 0.937971276317 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 2.924609071646 -2.183251048827 0.937971276317 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 4.935315919123 -1.322117123194 -0.570175686638 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 C2 Shell 6 SP 3 bf 17 - 20 4.935315919123 -1.322117123194 -0.570175686638 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 C2 Shell 7 SP 1 bf 21 - 24 4.935315919123 -1.322117123194 -0.570175686638 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 4.935315919123 -1.322117123194 -0.570175686638 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 4.935317293417 1.322089727150 -0.570181355816 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 10 SP 3 bf 32 - 35 4.935317293417 1.322089727150 -0.570181355816 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 11 SP 1 bf 36 - 39 4.935317293417 1.322089727150 -0.570181355816 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 4.935317293417 1.322089727150 -0.570181355816 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 2.924611341073 2.183233301768 0.937959937960 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 C4 Shell 14 SP 3 bf 47 - 50 2.924611341073 2.183233301768 0.937959937960 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 C4 Shell 15 SP 1 bf 51 - 54 2.924611341073 2.183233301768 0.937959937960 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 2.924611341073 2.183233301768 0.937959937960 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 2.582019599992 -4.147747797556 1.411309878082 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 2.582019599992 -4.147747797556 1.411309878082 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 6.126506058730 -2.511148542921 -1.740915828018 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 6.126506058730 -2.511148542921 -1.740915828018 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 6.126508668989 2.511114239486 -1.740927166375 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 6.126508668989 2.511114239486 -1.740927166375 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 2.582025801192 4.147732296334 1.411290980821 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 2.582025801192 4.147732296334 1.411290980821 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 2.181645479956 -0.000004707931 2.615099439801 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 2.181645479956 -0.000004707931 2.615099439801 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 2.181645479956 -0.000004707931 2.615099439801 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 2.181645479956 -0.000004707931 2.615099439801 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 0.244339822498 -0.000001811314 3.312691841756 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 0.244339822498 -0.000001811314 3.312691841756 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 3.445507545716 0.000000304371 4.271553999391 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 3.445507545716 0.000000304371 4.271553999391 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 -0.208530462445 1.333510125897 -1.737542666871 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 -0.208530462445 1.333510125897 -1.737542666871 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 -0.208530462445 1.333510125897 -1.737542666871 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 -0.208530462445 1.333510125897 -1.737542666871 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 -0.208543186958 -1.333518946949 -1.737542666871 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 C13 Shell 38 SP 3 bf 104 - 107 -0.208543186958 -1.333518946949 -1.737542666871 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 C13 Shell 39 SP 1 bf 108 - 111 -0.208543186958 -1.333518946949 -1.737542666871 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 -0.208543186958 -1.333518946949 -1.737542666871 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 41 S 6 bf 118 - 118 -2.261022723653 -2.758496106318 -0.471135140013 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 C14 Shell 42 SP 3 bf 119 - 122 -2.261022723653 -2.758496106318 -0.471135140013 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 C14 Shell 43 SP 1 bf 123 - 126 -2.261022723653 -2.758496106318 -0.471135140013 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 44 D 1 bf 127 - 132 -2.261022723653 -2.758496106318 -0.471135140013 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 45 S 6 bf 133 - 133 -4.141076464445 -1.269772661148 1.007647368563 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 46 SP 3 bf 134 - 137 -4.141076464445 -1.269772661148 1.007647368563 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 47 SP 1 bf 138 - 141 -4.141076464445 -1.269772661148 1.007647368563 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 48 D 1 bf 142 - 147 -4.141076464445 -1.269772661148 1.007647368563 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 -4.141065695901 1.269803832666 1.007647368563 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 50 SP 3 bf 149 - 152 -4.141065695901 1.269803832666 1.007647368563 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 51 SP 1 bf 153 - 156 -4.141065695901 1.269803832666 1.007647368563 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 -4.141065695901 1.269803832666 1.007647368563 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 53 S 6 bf 163 - 163 -2.260997179544 2.758508316023 -0.471135140013 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 54 SP 3 bf 164 - 167 -2.260997179544 2.758508316023 -0.471135140013 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 55 SP 1 bf 168 - 171 -2.260997179544 2.758508316023 -0.471135140013 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 56 D 1 bf 172 - 177 -2.260997179544 2.758508316023 -0.471135140013 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 0.666466183143 2.360434094892 -3.278602989883 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 0.666466183143 2.360434094892 -3.278602989883 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 0.666448611713 -2.360449494657 -3.278597320704 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 0.666448611713 -2.360449494657 -3.278597320704 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 -5.538298966827 -2.373600653427 2.032466637414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 -5.538298966827 -2.373600653427 2.032466637414 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -5.538277602243 2.373644615674 2.032464747688 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 -5.538277602243 2.373644615674 2.032464747688 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 65 S 6 bf 186 - 186 -2.465275376161 5.064187843368 -0.632774754516 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 66 SP 3 bf 187 - 190 -2.465275376161 5.064187843368 -0.632774754516 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 67 SP 1 bf 191 - 194 -2.465275376161 5.064187843368 -0.632774754516 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 68 D 1 bf 195 - 200 -2.465275376161 5.064187843368 -0.632774754516 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 69 S 6 bf 201 - 201 -2.465327883405 -5.064173531581 -0.632776644242 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 70 SP 3 bf 202 - 205 -2.465327883405 -5.064173531581 -0.632776644242 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 71 SP 1 bf 206 - 209 -2.465327883405 -5.064173531581 -0.632776644242 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 72 D 1 bf 210 - 215 -2.465327883405 -5.064173531581 -0.632776644242 0.8000000000D+00 0.1000000000D+01 There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 767.5011894626 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= 215 RedAO= T EigKep= 5.93D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 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. 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) = -575.526534893 A.U. after 15 cycles NFock= 15 Conv=0.69D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 215 NBasis= 215 NAE= 46 NBE= 46 NFC= 0 NFV= 0 NROrb= 215 NOA= 46 NOB= 46 NVA= 169 NVB= 169 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. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 66 vectors produced by pass 0 Test12= 1.08D-14 1.39D-09 XBig12= 1.98D-01 1.33D-01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 1.08D-14 1.39D-09 XBig12= 1.98D-02 2.76D-02. 66 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 1.81D-04 1.59D-03. 66 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 4.12D-07 8.71D-05. 66 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 4.73D-10 2.77D-06. 64 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 4.91D-13 1.26D-07. 7 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 4.22D-16 3.58D-09. InvSVY: IOpt=1 It= 1 EMax= 7.22D-16 Solved reduced A of dimension 401 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) (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) (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 -- -19.13735 -19.13734 -10.27826 -10.27826 -10.22333 Alpha occ. eigenvalues -- -10.22332 -10.21701 -10.21619 -10.20897 -10.20798 Alpha occ. eigenvalues -- -10.20749 -10.20657 -10.20603 -1.03518 -1.03315 Alpha occ. eigenvalues -- -0.88725 -0.83576 -0.76865 -0.72794 -0.72487 Alpha occ. eigenvalues -- -0.68782 -0.62359 -0.58754 -0.57409 -0.54806 Alpha occ. eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46923 Alpha occ. eigenvalues -- -0.44179 -0.41913 -0.40927 -0.40532 -0.39948 Alpha occ. eigenvalues -- -0.39484 -0.38956 -0.38867 -0.38103 -0.37270 Alpha occ. eigenvalues -- -0.33445 -0.28741 -0.25599 -0.25577 -0.25008 Alpha occ. eigenvalues -- -0.24350 Alpha virt. eigenvalues -- -0.09990 -0.03683 -0.01299 0.03531 0.06751 Alpha virt. eigenvalues -- 0.09522 0.10486 0.12823 0.13238 0.13537 Alpha virt. eigenvalues -- 0.15171 0.15590 0.15962 0.17006 0.17079 Alpha virt. eigenvalues -- 0.18744 0.19216 0.21097 0.22012 0.25351 Alpha virt. eigenvalues -- 0.28248 0.29461 0.29980 0.32264 0.34275 Alpha virt. eigenvalues -- 0.36389 0.39855 0.45834 0.46696 0.47957 Alpha virt. eigenvalues -- 0.49606 0.52000 0.52127 0.53036 0.53641 Alpha virt. eigenvalues -- 0.55466 0.57275 0.57829 0.58670 0.59285 Alpha virt. eigenvalues -- 0.61079 0.62470 0.63899 0.65215 0.65500 Alpha virt. eigenvalues -- 0.67641 0.67943 0.68510 0.72188 0.73958 Alpha virt. eigenvalues -- 0.73981 0.78866 0.79702 0.80345 0.81980 Alpha virt. eigenvalues -- 0.82480 0.82489 0.82716 0.83429 0.84800 Alpha virt. eigenvalues -- 0.86110 0.88186 0.88398 0.89340 0.91002 Alpha virt. eigenvalues -- 0.91387 0.93184 0.94844 0.98571 1.01500 Alpha virt. eigenvalues -- 1.02556 1.03787 1.04649 1.05893 1.06136 Alpha virt. eigenvalues -- 1.09491 1.11592 1.14930 1.16924 1.20942 Alpha virt. eigenvalues -- 1.22201 1.22416 1.23077 1.27285 1.32112 Alpha virt. eigenvalues -- 1.32562 1.39183 1.40226 1.40936 1.43477 Alpha virt. eigenvalues -- 1.44658 1.46107 1.47068 1.51419 1.52261 Alpha virt. eigenvalues -- 1.58382 1.63784 1.64470 1.66248 1.70208 Alpha virt. eigenvalues -- 1.77005 1.77206 1.79798 1.82734 1.83856 Alpha virt. eigenvalues -- 1.84605 1.87610 1.89140 1.89570 1.89791 Alpha virt. eigenvalues -- 1.90943 1.93126 1.95697 1.98326 1.98965 Alpha virt. eigenvalues -- 2.03350 2.05074 2.06064 2.07008 2.07442 Alpha virt. eigenvalues -- 2.09048 2.11483 2.13015 2.17998 2.18849 Alpha virt. eigenvalues -- 2.22719 2.25616 2.25653 2.28320 2.30653 Alpha virt. eigenvalues -- 2.32435 2.37547 2.37589 2.40383 2.45157 Alpha virt. eigenvalues -- 2.45285 2.52411 2.57313 2.58327 2.59382 Alpha virt. eigenvalues -- 2.61406 2.62376 2.63840 2.66181 2.66452 Alpha virt. eigenvalues -- 2.69005 2.71291 2.76348 2.84391 2.92097 Alpha virt. eigenvalues -- 2.95086 2.96445 2.97527 3.02389 3.18323 Alpha virt. eigenvalues -- 3.25169 4.03095 4.03775 4.10316 4.16793 Alpha virt. eigenvalues -- 4.22067 4.31874 4.35932 4.36358 4.46113 Alpha virt. eigenvalues -- 4.52092 4.63747 4.64169 4.90997 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13735 -19.13734 -10.27826 -10.27826 -10.22333 1 1 C 1S 0.00002 -0.00003 0.00005 0.00000 0.70490 2 2S 0.00010 -0.00011 -0.00008 0.00010 0.03649 3 2PX -0.00001 0.00003 -0.00014 0.00011 -0.00021 4 2PY -0.00002 -0.00001 -0.00001 0.00008 0.00053 5 2PZ 0.00002 0.00000 -0.00005 -0.00001 -0.00012 6 3S -0.00056 0.00065 0.00121 -0.00125 -0.01934 7 3PX 0.00026 -0.00016 0.00099 -0.00086 -0.00065 8 3PY -0.00008 0.00023 0.00100 -0.00123 -0.00596 9 3PZ -0.00008 0.00002 -0.00043 0.00043 0.00202 10 4XX 0.00001 -0.00003 0.00013 -0.00004 -0.00609 11 4YY 0.00002 -0.00004 0.00005 0.00000 -0.00611 12 4ZZ 0.00003 -0.00005 0.00010 -0.00003 -0.00609 13 4XY 0.00001 -0.00001 0.00000 -0.00001 0.00010 14 4XZ -0.00002 0.00001 -0.00002 0.00005 -0.00008 15 4YZ 0.00000 0.00001 -0.00003 0.00001 0.00002 16 2 C 1S 0.00000 0.00001 0.00006 -0.00005 0.01053 17 2S -0.00001 0.00004 0.00019 -0.00018 0.00023 18 2PX 0.00001 0.00000 0.00001 -0.00003 0.00003 19 2PY 0.00001 0.00001 -0.00001 -0.00008 0.00009 20 2PZ 0.00000 -0.00001 -0.00001 0.00004 -0.00014 21 3S 0.00016 -0.00018 -0.00235 0.00134 0.00928 22 3PX -0.00006 0.00014 0.00102 -0.00067 -0.00374 23 3PY 0.00008 -0.00007 -0.00038 0.00012 0.00127 24 3PZ -0.00004 -0.00004 -0.00080 0.00045 0.00289 25 4XX -0.00001 0.00000 0.00001 0.00001 -0.00024 26 4YY -0.00001 0.00001 0.00004 -0.00004 -0.00027 27 4ZZ -0.00001 0.00002 0.00003 -0.00004 -0.00027 28 4XY 0.00000 0.00000 -0.00001 0.00000 -0.00003 29 4XZ 0.00001 0.00000 0.00005 -0.00005 0.00013 30 4YZ 0.00000 -0.00001 0.00001 -0.00001 0.00008 31 3 C 1S 0.00001 0.00001 -0.00006 -0.00005 -0.01045 32 2S 0.00002 0.00004 -0.00020 -0.00017 -0.00023 33 2PX -0.00001 0.00000 -0.00001 -0.00003 -0.00003 34 2PY 0.00000 -0.00001 -0.00001 0.00008 0.00009 35 2PZ 0.00000 -0.00001 0.00001 0.00004 0.00014 36 3S -0.00018 -0.00016 0.00238 0.00129 -0.00925 37 3PX 0.00008 0.00013 -0.00103 -0.00064 0.00373 38 3PY 0.00009 0.00006 -0.00038 -0.00012 0.00127 39 3PZ 0.00004 -0.00004 0.00081 0.00043 -0.00288 40 4XX 0.00001 0.00000 -0.00001 0.00001 0.00024 41 4YY 0.00001 0.00001 -0.00005 -0.00004 0.00027 42 4ZZ 0.00002 0.00002 -0.00003 -0.00004 0.00027 43 4XY -0.00001 0.00000 -0.00001 0.00000 -0.00003 44 4XZ -0.00001 0.00000 -0.00006 -0.00005 -0.00013 45 4YZ 0.00000 0.00001 0.00001 0.00001 0.00008 46 4 C 1S -0.00002 -0.00002 -0.00005 0.00001 -0.69973 47 2S -0.00012 -0.00010 0.00008 0.00010 -0.03623 48 2PX 0.00002 0.00002 0.00014 0.00011 0.00021 49 2PY -0.00001 0.00002 -0.00001 -0.00007 0.00053 50 2PZ -0.00002 0.00000 0.00005 -0.00001 0.00012 51 3S 0.00063 0.00058 -0.00124 -0.00123 0.01923 52 3PX -0.00028 -0.00013 -0.00101 -0.00084 0.00064 53 3PY -0.00011 -0.00022 0.00102 0.00120 -0.00594 54 3PZ 0.00008 0.00001 0.00044 0.00042 -0.00202 55 4XX -0.00001 -0.00003 -0.00013 -0.00004 0.00604 56 4YY -0.00002 -0.00004 -0.00005 0.00000 0.00607 57 4ZZ -0.00004 -0.00005 -0.00010 -0.00002 0.00604 58 4XY 0.00001 0.00001 0.00000 0.00001 0.00010 59 4XZ 0.00002 0.00000 0.00002 0.00005 0.00008 60 4YZ 0.00000 -0.00001 -0.00003 -0.00001 0.00002 61 5 H 1S 0.00002 0.00001 0.00010 -0.00015 -0.00025 62 2S 0.00005 -0.00002 0.00045 -0.00046 0.00001 63 6 H 1S 0.00000 -0.00001 -0.00001 0.00000 0.00004 64 2S -0.00001 -0.00003 -0.00027 0.00018 0.00088 65 7 H 1S 0.00000 -0.00001 0.00001 0.00000 -0.00004 66 2S 0.00001 -0.00003 0.00028 0.00018 -0.00088 67 8 H 1S -0.00002 0.00001 -0.00010 -0.00014 0.00025 68 2S -0.00005 -0.00001 -0.00046 -0.00045 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00005 70 2S 0.00000 0.00003 0.00000 0.00001 0.00000 71 2PX 0.00000 -0.00001 0.00000 0.00011 0.00000 72 2PY -0.00001 0.00000 -0.00004 0.00000 -0.00025 73 2PZ 0.00000 0.00005 0.00000 0.00005 0.00000 74 3S -0.00004 -0.00064 0.00001 0.00047 0.00003 75 3PX 0.00000 -0.00001 0.00000 0.00034 0.00000 76 3PY -0.00030 0.00002 0.00018 0.00000 -0.00317 77 3PZ 0.00000 0.00001 -0.00001 -0.00083 -0.00001 78 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 79 4YY 0.00000 -0.00001 0.00000 -0.00004 0.00000 80 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 81 4XY 0.00002 0.00000 0.00006 0.00000 0.00008 82 4XZ 0.00000 0.00000 0.00000 -0.00008 0.00000 83 4YZ 0.00002 0.00000 -0.00004 0.00000 -0.00009 84 10 H 1S 0.00000 -0.00001 0.00000 -0.00012 0.00000 85 2S 0.00001 0.00014 0.00001 0.00062 0.00000 86 11 H 1S 0.00000 0.00003 0.00000 0.00005 0.00000 87 2S 0.00000 0.00008 0.00000 0.00023 0.00000 88 12 C 1S 0.00004 0.00004 0.00132 0.00133 0.00030 89 2S 0.00023 0.00020 -0.00041 -0.00027 0.00120 90 2PX 0.00006 0.00000 0.00004 0.00016 -0.00002 91 2PY 0.00004 -0.00009 -0.00010 0.00010 0.00012 92 2PZ 0.00005 0.00004 -0.00008 -0.00008 0.00012 93 3S -0.00359 -0.00075 0.01071 0.00338 -0.00821 94 3PX 0.00099 0.00053 -0.00380 -0.00169 -0.00069 95 3PY 0.00154 0.00034 -0.00284 -0.00016 0.00131 96 3PZ -0.00136 -0.00059 0.00317 0.00122 -0.00291 97 4XX 0.00001 0.00002 -0.00023 -0.00020 0.00010 98 4YY -0.00003 0.00003 -0.00020 -0.00020 0.00029 99 4ZZ 0.00005 0.00008 -0.00022 -0.00023 0.00018 100 4XY 0.00002 -0.00002 0.00016 0.00014 0.00003 101 4XZ 0.00002 0.00003 0.00001 0.00000 -0.00014 102 4YZ 0.00000 -0.00002 -0.00009 -0.00006 0.00004 103 13 C 1S -0.00003 0.00004 -0.00129 0.00136 -0.00030 104 2S -0.00020 0.00022 0.00040 -0.00028 -0.00121 105 2PX -0.00006 0.00001 -0.00004 0.00016 0.00002 106 2PY 0.00005 0.00008 -0.00011 -0.00010 0.00012 107 2PZ -0.00004 0.00005 0.00008 -0.00008 -0.00012 108 3S 0.00346 -0.00119 -0.01062 0.00362 0.00823 109 3PX -0.00091 0.00065 0.00376 -0.00178 0.00070 110 3PY 0.00149 -0.00053 -0.00284 0.00023 0.00130 111 3PZ 0.00128 -0.00075 -0.00314 0.00130 0.00292 112 4XX -0.00001 0.00002 0.00022 -0.00020 -0.00010 113 4YY 0.00003 0.00003 0.00020 -0.00020 -0.00030 114 4ZZ -0.00004 0.00009 0.00022 -0.00023 -0.00018 115 4XY 0.00002 0.00002 0.00016 -0.00014 0.00003 116 4XZ -0.00002 0.00003 -0.00001 0.00000 0.00015 117 4YZ 0.00001 0.00002 -0.00008 0.00006 0.00004 118 14 C 1S 0.00006 -0.00002 -0.69409 0.71019 0.00002 119 2S -0.00007 0.00027 -0.03483 0.03513 0.00002 120 2PX -0.00002 0.00001 -0.00001 0.00001 -0.00018 121 2PY 0.00005 -0.00002 0.00034 -0.00042 -0.00009 122 2PZ -0.00001 0.00001 -0.00001 0.00005 0.00000 123 3S 0.00075 -0.00184 0.01267 -0.00856 -0.00061 124 3PX -0.00046 0.00052 0.00111 -0.00097 -0.00111 125 3PY -0.00508 0.00402 0.00949 -0.00497 -0.00156 126 3PZ -0.00033 0.00012 0.00065 -0.00025 0.00025 127 4XX 0.00005 -0.00004 0.00636 -0.00660 -0.00016 128 4YY 0.00069 -0.00067 0.00555 -0.00588 -0.00010 129 4ZZ 0.00011 -0.00005 0.00633 -0.00664 -0.00003 130 4XY 0.00006 -0.00006 -0.00009 0.00009 -0.00005 131 4XZ 0.00005 -0.00001 0.00000 -0.00009 -0.00001 132 4YZ 0.00004 -0.00004 -0.00006 0.00008 -0.00004 133 15 C 1S -0.00001 0.00002 -0.00137 0.00148 0.00010 134 2S -0.00012 0.00015 0.00041 -0.00024 0.00005 135 2PX 0.00002 0.00002 0.00012 -0.00015 0.00004 136 2PY 0.00004 0.00009 -0.00012 -0.00006 -0.00002 137 2PZ -0.00001 -0.00001 -0.00007 0.00016 -0.00003 138 3S 0.00304 -0.00042 -0.01134 0.00268 0.00053 139 3PX 0.00130 -0.00076 -0.00453 0.00173 -0.00004 140 3PY 0.00157 -0.00081 -0.00358 0.00059 0.00092 141 3PZ -0.00084 0.00051 0.00298 -0.00126 0.00013 142 4XX 0.00003 0.00000 0.00022 -0.00020 0.00003 143 4YY 0.00009 -0.00003 0.00029 -0.00021 0.00003 144 4ZZ 0.00001 0.00003 0.00026 -0.00023 0.00004 145 4XY -0.00002 0.00000 -0.00014 0.00011 -0.00001 146 4XZ -0.00002 0.00005 -0.00005 0.00002 0.00000 147 4YZ 0.00002 0.00000 0.00013 -0.00012 -0.00001 148 16 C 1S 0.00001 0.00002 0.00141 0.00145 -0.00010 149 2S 0.00014 0.00014 -0.00042 -0.00023 -0.00005 150 2PX -0.00002 0.00002 -0.00013 -0.00015 -0.00003 151 2PY 0.00003 -0.00010 -0.00012 0.00007 -0.00002 152 2PZ 0.00001 -0.00001 0.00007 0.00016 0.00003 153 3S -0.00307 -0.00004 0.01140 0.00242 -0.00053 154 3PX -0.00138 -0.00059 0.00457 0.00163 0.00004 155 3PY 0.00165 0.00060 -0.00359 -0.00051 0.00092 156 3PZ 0.00090 0.00040 -0.00301 -0.00119 -0.00013 157 4XX -0.00003 0.00000 -0.00023 -0.00020 -0.00003 158 4YY -0.00010 -0.00002 -0.00029 -0.00020 -0.00003 159 4ZZ -0.00001 0.00003 -0.00027 -0.00023 -0.00004 160 4XY -0.00002 0.00000 -0.00014 -0.00011 -0.00001 161 4XZ 0.00003 0.00004 0.00005 0.00001 0.00000 162 4YZ 0.00002 0.00000 0.00013 0.00012 -0.00001 163 17 C 1S -0.00006 -0.00001 0.71030 0.69398 -0.00002 164 2S 0.00011 0.00026 0.03563 0.03432 -0.00002 165 2PX 0.00002 0.00000 0.00001 0.00001 0.00018 166 2PY 0.00005 0.00001 0.00035 0.00042 -0.00009 167 2PZ 0.00001 0.00001 0.00001 0.00005 0.00000 168 3S -0.00098 -0.00173 -0.01287 -0.00826 0.00061 169 3PX 0.00052 0.00045 -0.00114 -0.00094 0.00111 170 3PY -0.00555 -0.00335 0.00961 0.00475 -0.00156 171 3PZ 0.00034 0.00008 -0.00065 -0.00023 -0.00025 172 4XX -0.00005 -0.00003 -0.00651 -0.00645 0.00016 173 4YY -0.00077 -0.00058 -0.00568 -0.00575 0.00010 174 4ZZ -0.00011 -0.00004 -0.00648 -0.00649 0.00003 175 4XY 0.00007 0.00005 -0.00009 -0.00009 -0.00005 176 4XZ -0.00005 0.00000 -0.00001 -0.00009 0.00001 177 4YZ 0.00004 0.00004 -0.00006 -0.00008 -0.00004 178 18 H 1S -0.00004 -0.00003 0.00008 0.00003 0.00023 179 2S -0.00052 -0.00029 0.00107 0.00046 -0.00024 180 19 H 1S 0.00004 -0.00003 -0.00008 0.00003 -0.00023 181 2S 0.00048 -0.00035 -0.00106 0.00048 0.00024 182 20 H 1S 0.00007 -0.00006 -0.00015 0.00005 0.00003 183 2S 0.00059 -0.00054 -0.00146 0.00079 0.00007 184 21 H 1S -0.00007 -0.00005 0.00015 0.00005 -0.00003 185 2S -0.00065 -0.00047 0.00147 0.00076 -0.00007 186 22 O 1S 0.74470 0.65635 0.00006 -0.00003 -0.00006 187 2S 0.01885 0.01679 0.00093 0.00050 -0.00026 188 2PX 0.00008 0.00007 -0.00001 -0.00002 -0.00001 189 2PY -0.00083 -0.00073 0.00004 0.00004 0.00004 190 2PZ 0.00006 0.00005 -0.00001 -0.00001 0.00000 191 3S 0.01315 0.01036 -0.00661 -0.00357 0.00159 192 3PX 0.00018 0.00011 -0.00013 0.00000 -0.00005 193 3PY -0.00188 -0.00137 0.00229 0.00166 -0.00038 194 3PZ 0.00014 0.00012 -0.00014 -0.00011 0.00009 195 4XX -0.00637 -0.00549 0.00064 0.00036 -0.00015 196 4YY -0.00589 -0.00512 0.00007 -0.00013 -0.00016 197 4ZZ -0.00637 -0.00549 0.00066 0.00039 -0.00019 198 4XY -0.00005 -0.00004 0.00004 0.00002 0.00000 199 4XZ 0.00001 0.00000 0.00004 0.00005 0.00000 200 4YZ -0.00004 -0.00004 0.00005 0.00005 -0.00002 201 23 O 1S -0.65631 0.74474 -0.00006 -0.00003 0.00006 202 2S -0.01659 0.01902 -0.00092 0.00053 0.00026 203 2PX -0.00007 0.00008 0.00001 -0.00002 0.00001 204 2PY -0.00073 0.00083 0.00004 -0.00004 0.00004 205 2PZ -0.00005 0.00006 0.00001 -0.00001 0.00000 206 3S -0.01174 0.01193 0.00653 -0.00372 -0.00160 207 3PX -0.00016 0.00013 0.00013 -0.00001 0.00005 208 3PY -0.00170 0.00159 0.00226 -0.00171 -0.00039 209 3PZ -0.00012 0.00014 0.00014 -0.00011 -0.00009 210 4XX 0.00563 -0.00625 -0.00063 0.00038 0.00015 211 4YY 0.00520 -0.00582 -0.00007 -0.00012 0.00017 212 4ZZ 0.00562 -0.00625 -0.00065 0.00041 0.00019 213 4XY -0.00005 0.00004 0.00004 -0.00002 0.00000 214 4XZ -0.00001 0.00000 -0.00004 0.00005 0.00000 215 4YZ -0.00003 0.00004 0.00005 -0.00005 -0.00002 6 7 8 9 10 O O O O O Eigenvalues -- -10.22332 -10.21701 -10.21619 -10.20897 -10.20798 1 1 C 1S 0.69949 -0.00013 0.00008 -0.00890 -0.00007 2 2S 0.03518 0.00008 -0.00003 -0.00048 -0.00060 3 2PX -0.00003 0.00000 0.00001 0.00001 0.00002 4 2PY 0.00036 0.00002 0.00002 0.00002 -0.00015 5 2PZ -0.00019 -0.00001 0.00001 -0.00005 0.00004 6 3S -0.01427 -0.00056 0.00026 0.00441 0.00247 7 3PX -0.00045 -0.00006 -0.00013 -0.00085 -0.00031 8 3PY -0.00270 -0.00037 -0.00015 0.00131 0.00063 9 3PZ 0.00071 0.00005 0.00021 0.00170 -0.00098 10 4XX -0.00630 0.00002 -0.00003 -0.00003 -0.00009 11 4YY -0.00596 0.00001 -0.00002 -0.00016 -0.00029 12 4ZZ -0.00629 0.00004 -0.00002 -0.00011 -0.00009 13 4XY 0.00005 0.00000 0.00001 0.00005 -0.00002 14 4XZ -0.00012 -0.00001 -0.00001 0.00005 0.00014 15 4YZ -0.00013 -0.00003 0.00002 -0.00014 -0.00002 16 2 C 1S 0.01080 0.00006 -0.00003 -0.00194 -0.00260 17 2S 0.00016 0.00003 -0.00002 -0.00038 -0.00016 18 2PX 0.00003 -0.00001 0.00001 0.00003 0.00012 19 2PY 0.00001 0.00000 0.00000 -0.00002 -0.00003 20 2PZ -0.00009 0.00002 0.00001 -0.00004 -0.00002 21 3S 0.00410 0.00010 0.00023 0.00051 -0.00066 22 3PX -0.00169 -0.00005 -0.00012 -0.00041 0.00033 23 3PY -0.00022 0.00000 0.00000 0.00008 0.00013 24 3PZ 0.00121 -0.00002 -0.00002 0.00039 -0.00017 25 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 26 4YY -0.00014 0.00001 -0.00001 0.00002 -0.00005 27 4ZZ -0.00025 0.00000 -0.00001 0.00005 -0.00003 28 4XY -0.00014 -0.00001 0.00000 0.00001 0.00004 29 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 30 4YZ 0.00008 0.00000 0.00000 0.00006 -0.00006 31 3 C 1S 0.01088 0.00006 0.00003 -0.00194 -0.00260 32 2S 0.00017 0.00003 0.00002 -0.00038 -0.00016 33 2PX 0.00003 -0.00001 -0.00001 0.00003 0.00012 34 2PY -0.00001 0.00000 0.00000 0.00002 0.00003 35 2PZ -0.00009 0.00002 -0.00001 -0.00004 -0.00002 36 3S 0.00416 0.00010 -0.00023 0.00051 -0.00067 37 3PX -0.00172 -0.00005 0.00012 -0.00041 0.00033 38 3PY 0.00021 0.00000 0.00000 -0.00008 -0.00013 39 3PZ 0.00123 -0.00002 0.00002 0.00039 -0.00017 40 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 41 4YY -0.00014 0.00001 0.00001 0.00002 -0.00005 42 4ZZ -0.00025 0.00000 0.00001 0.00005 -0.00003 43 4XY 0.00014 0.00001 0.00000 -0.00001 -0.00004 44 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 45 4YZ -0.00008 0.00000 0.00000 -0.00006 0.00006 46 4 C 1S 0.70465 -0.00013 -0.00008 -0.00890 -0.00007 47 2S 0.03545 0.00008 0.00003 -0.00048 -0.00060 48 2PX -0.00003 0.00000 -0.00001 0.00001 0.00002 49 2PY -0.00036 -0.00002 0.00002 -0.00002 0.00015 50 2PZ -0.00019 -0.00001 -0.00001 -0.00005 0.00004 51 3S -0.01441 -0.00056 -0.00026 0.00441 0.00247 52 3PX -0.00046 -0.00006 0.00013 -0.00085 -0.00031 53 3PY 0.00275 0.00037 -0.00015 -0.00131 -0.00063 54 3PZ 0.00073 0.00005 -0.00021 0.00170 -0.00099 55 4XX -0.00634 0.00002 0.00003 -0.00003 -0.00009 56 4YY -0.00600 0.00001 0.00002 -0.00016 -0.00029 57 4ZZ -0.00634 0.00004 0.00002 -0.00011 -0.00009 58 4XY -0.00005 0.00000 0.00001 -0.00005 0.00002 59 4XZ -0.00012 -0.00001 0.00001 0.00005 0.00014 60 4YZ 0.00013 0.00003 0.00002 0.00014 0.00002 61 5 H 1S -0.00027 -0.00002 -0.00004 -0.00017 -0.00005 62 2S 0.00122 -0.00006 -0.00017 -0.00025 0.00006 63 6 H 1S -0.00010 0.00000 -0.00001 -0.00002 0.00008 64 2S 0.00034 -0.00001 0.00000 0.00032 -0.00014 65 7 H 1S -0.00010 0.00000 0.00001 -0.00002 0.00008 66 2S 0.00035 -0.00001 0.00000 0.00032 -0.00014 67 8 H 1S -0.00027 -0.00002 0.00004 -0.00017 -0.00005 68 2S 0.00122 -0.00006 0.00017 -0.00025 0.00006 69 9 C 1S 0.01238 0.00028 0.00000 0.99297 0.00541 70 2S 0.00040 0.00016 0.00000 0.05060 -0.00015 71 2PX -0.00009 -0.00007 0.00000 0.00019 0.00014 72 2PY 0.00000 0.00000 -0.00005 0.00000 0.00000 73 2PZ -0.00005 0.00009 0.00000 -0.00027 0.00032 74 3S 0.00736 -0.00120 0.00000 -0.02055 0.00030 75 3PX 0.00134 0.00110 0.00000 -0.00089 -0.00120 76 3PY 0.00001 0.00000 0.00038 0.00000 0.00000 77 3PZ -0.00229 -0.00095 0.00000 0.00195 -0.00087 78 4XX -0.00020 0.00002 0.00000 -0.00875 -0.00020 79 4YY -0.00055 0.00012 0.00000 -0.00899 -0.00019 80 4ZZ -0.00027 0.00012 0.00000 -0.00889 -0.00020 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00015 -0.00003 0.00000 0.00000 0.00005 83 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 84 10 H 1S -0.00020 -0.00024 0.00000 -0.00004 -0.00012 85 2S 0.00029 0.00229 0.00000 0.00297 -0.00058 86 11 H 1S -0.00035 0.00007 0.00000 0.00011 0.00007 87 2S 0.00019 0.00017 0.00000 0.00270 0.00094 88 12 C 1S -0.00023 -0.00037 0.00002 -0.00396 0.70237 89 2S -0.00073 -0.00016 0.00011 -0.00044 0.03550 90 2PX 0.00000 0.00004 0.00005 0.00003 0.00007 91 2PY 0.00005 0.00001 -0.00003 0.00011 0.00000 92 2PZ -0.00002 -0.00006 -0.00002 -0.00018 0.00037 93 3S 0.00318 0.00018 -0.00288 0.00084 -0.01129 94 3PX 0.00055 0.00006 0.00073 -0.00047 0.00077 95 3PY 0.00046 0.00016 0.00155 -0.00020 -0.00111 96 3PZ 0.00087 0.00010 -0.00061 0.00084 -0.00171 97 4XX -0.00007 -0.00002 0.00003 -0.00012 -0.00641 98 4YY -0.00021 0.00001 0.00002 -0.00005 -0.00643 99 4ZZ -0.00017 -0.00004 0.00005 -0.00004 -0.00632 100 4XY 0.00005 -0.00002 -0.00002 -0.00008 -0.00001 101 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 102 4YZ 0.00004 0.00001 -0.00001 0.00001 -0.00010 103 13 C 1S -0.00022 -0.00037 -0.00002 -0.00396 0.70181 104 2S -0.00072 -0.00016 -0.00011 -0.00044 0.03547 105 2PX 0.00000 0.00004 -0.00005 0.00003 0.00007 106 2PY -0.00005 -0.00001 -0.00003 -0.00011 0.00000 107 2PZ -0.00002 -0.00006 0.00002 -0.00018 0.00037 108 3S 0.00312 0.00018 0.00288 0.00084 -0.01126 109 3PX 0.00054 0.00006 -0.00073 -0.00047 0.00077 110 3PY -0.00047 -0.00016 0.00155 0.00020 0.00112 111 3PZ 0.00085 0.00010 0.00061 0.00084 -0.00171 112 4XX -0.00007 -0.00002 -0.00003 -0.00012 -0.00640 113 4YY -0.00021 0.00001 -0.00002 -0.00005 -0.00642 114 4ZZ -0.00017 -0.00004 -0.00005 -0.00004 -0.00632 115 4XY -0.00005 0.00002 -0.00002 0.00008 0.00001 116 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 117 4YZ -0.00004 -0.00001 -0.00001 -0.00001 0.00010 118 14 C 1S 0.00001 -0.00169 0.00169 0.00003 -0.00160 119 2S 0.00001 -0.00034 0.00043 0.00008 -0.00047 120 2PX -0.00004 0.00016 -0.00009 -0.00004 -0.00010 121 2PY -0.00004 -0.00008 0.00009 -0.00002 -0.00005 122 2PZ 0.00000 -0.00006 0.00008 -0.00002 0.00015 123 3S 0.00024 0.00262 -0.00668 -0.00063 0.00312 124 3PX -0.00078 -0.00109 0.00172 -0.00050 0.00231 125 3PY -0.00095 0.00138 -0.00289 -0.00022 0.00276 126 3PZ 0.00027 0.00069 -0.00147 0.00028 -0.00119 127 4XX -0.00004 -0.00024 0.00027 -0.00003 -0.00021 128 4YY 0.00003 -0.00013 0.00018 -0.00006 -0.00021 129 4ZZ 0.00000 -0.00017 0.00025 0.00004 -0.00022 130 4XY 0.00000 0.00006 -0.00009 -0.00002 -0.00007 131 4XZ 0.00000 0.00011 -0.00012 -0.00002 0.00011 132 4YZ -0.00004 -0.00004 0.00005 -0.00001 0.00008 133 15 C 1S 0.00016 0.70188 -0.70217 -0.00013 0.00031 134 2S 0.00007 0.03487 -0.03584 0.00014 -0.00015 135 2PX 0.00005 0.00019 -0.00019 0.00004 -0.00011 136 2PY 0.00000 -0.00011 -0.00043 0.00002 0.00002 137 2PZ 0.00000 -0.00002 0.00013 0.00001 0.00005 138 3S -0.00053 -0.00760 0.01887 -0.00053 0.00058 139 3PX -0.00008 -0.00096 0.00354 -0.00023 0.00000 140 3PY 0.00037 0.00069 0.00330 0.00005 -0.00068 141 3PZ 0.00001 0.00053 -0.00271 0.00001 0.00001 142 4XX 0.00003 -0.00679 0.00654 0.00005 -0.00004 143 4YY 0.00001 -0.00666 0.00619 0.00004 0.00003 144 4ZZ 0.00005 -0.00679 0.00658 0.00009 -0.00009 145 4XY 0.00001 0.00004 0.00000 0.00000 -0.00002 146 4XZ 0.00000 -0.00004 0.00006 0.00001 -0.00003 147 4YZ -0.00003 -0.00003 -0.00001 -0.00001 0.00004 148 16 C 1S 0.00016 0.70181 0.70225 -0.00013 0.00031 149 2S 0.00007 0.03486 0.03584 0.00014 -0.00014 150 2PX 0.00005 0.00019 0.00019 0.00004 -0.00011 151 2PY 0.00000 0.00011 -0.00043 -0.00002 -0.00002 152 2PZ 0.00000 -0.00002 -0.00013 0.00001 0.00005 153 3S -0.00053 -0.00760 -0.01887 -0.00053 0.00058 154 3PX -0.00008 -0.00096 -0.00355 -0.00023 0.00000 155 3PY -0.00037 -0.00069 0.00330 -0.00005 0.00068 156 3PZ 0.00001 0.00053 0.00271 0.00001 0.00001 157 4XX 0.00003 -0.00679 -0.00654 0.00005 -0.00004 158 4YY 0.00001 -0.00665 -0.00619 0.00004 0.00003 159 4ZZ 0.00005 -0.00679 -0.00658 0.00009 -0.00009 160 4XY -0.00001 -0.00004 0.00000 0.00000 0.00002 161 4XZ 0.00000 -0.00004 -0.00006 0.00001 -0.00003 162 4YZ 0.00003 0.00003 -0.00001 0.00001 -0.00004 163 17 C 1S 0.00001 -0.00169 -0.00169 0.00003 -0.00160 164 2S 0.00001 -0.00034 -0.00043 0.00008 -0.00047 165 2PX -0.00004 0.00016 0.00009 -0.00004 -0.00010 166 2PY 0.00005 0.00008 0.00009 0.00002 0.00005 167 2PZ 0.00000 -0.00006 -0.00008 -0.00002 0.00015 168 3S 0.00023 0.00262 0.00668 -0.00063 0.00313 169 3PX -0.00079 -0.00109 -0.00172 -0.00050 0.00231 170 3PY 0.00096 -0.00138 -0.00289 0.00022 -0.00277 171 3PZ 0.00027 0.00069 0.00147 0.00028 -0.00119 172 4XX -0.00004 -0.00024 -0.00027 -0.00003 -0.00021 173 4YY 0.00003 -0.00013 -0.00018 -0.00006 -0.00021 174 4ZZ 0.00000 -0.00017 -0.00025 0.00004 -0.00022 175 4XY 0.00000 -0.00006 -0.00009 0.00002 0.00007 176 4XZ 0.00000 0.00011 0.00012 -0.00002 0.00011 177 4YZ 0.00004 0.00004 0.00005 0.00001 -0.00008 178 18 H 1S -0.00012 -0.00001 -0.00004 0.00005 -0.00016 179 2S -0.00039 0.00005 -0.00021 0.00050 0.00152 180 19 H 1S -0.00012 -0.00001 0.00004 0.00005 -0.00016 181 2S -0.00039 0.00005 0.00021 0.00050 0.00152 182 20 H 1S 0.00004 -0.00029 0.00032 0.00002 -0.00008 183 2S 0.00006 0.00125 -0.00029 -0.00002 -0.00001 184 21 H 1S 0.00004 -0.00029 -0.00032 0.00002 -0.00008 185 2S 0.00006 0.00125 0.00029 -0.00002 -0.00001 186 22 O 1S 0.00007 -0.00003 0.00001 0.00000 -0.00010 187 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 188 2PX 0.00001 -0.00001 -0.00002 0.00000 -0.00001 189 2PY -0.00003 0.00000 -0.00002 -0.00001 0.00003 190 2PZ -0.00001 -0.00001 0.00003 0.00002 -0.00001 191 3S -0.00160 0.00077 0.00004 0.00003 0.00252 192 3PX 0.00000 0.00015 0.00030 0.00009 -0.00015 193 3PY 0.00046 -0.00019 0.00021 -0.00004 -0.00071 194 3PZ -0.00006 0.00002 -0.00026 -0.00009 0.00023 195 4XX 0.00019 -0.00008 0.00006 0.00000 -0.00029 196 4YY 0.00014 -0.00004 0.00002 0.00002 -0.00016 197 4ZZ 0.00021 -0.00010 0.00002 0.00000 -0.00033 198 4XY 0.00000 -0.00001 -0.00004 -0.00002 0.00000 199 4XZ 0.00000 -0.00004 -0.00003 0.00000 -0.00005 200 4YZ 0.00002 -0.00003 0.00003 0.00001 -0.00004 201 23 O 1S 0.00007 -0.00003 -0.00001 0.00000 -0.00010 202 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 203 2PX 0.00001 -0.00001 0.00002 0.00000 -0.00001 204 2PY 0.00003 0.00000 -0.00002 0.00001 -0.00003 205 2PZ -0.00001 -0.00001 -0.00003 0.00002 -0.00001 206 3S -0.00158 0.00077 -0.00004 0.00003 0.00252 207 3PX 0.00000 0.00015 -0.00030 0.00009 -0.00015 208 3PY -0.00046 0.00019 0.00021 0.00004 0.00071 209 3PZ -0.00006 0.00002 0.00026 -0.00009 0.00023 210 4XX 0.00019 -0.00008 -0.00006 0.00000 -0.00029 211 4YY 0.00014 -0.00004 -0.00002 0.00002 -0.00016 212 4ZZ 0.00021 -0.00010 -0.00002 0.00000 -0.00033 213 4XY 0.00000 0.00001 -0.00004 0.00002 0.00000 214 4XZ 0.00000 -0.00004 0.00003 0.00000 -0.00005 215 4YZ -0.00002 0.00003 0.00003 -0.00001 0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.20749 -10.20657 -10.20603 -1.03518 -1.03315 1 1 C 1S -0.00016 -0.01105 -0.01072 -0.00251 -0.00132 2 2S -0.00125 -0.00064 -0.00065 0.00349 0.00167 3 2PX -0.00001 -0.00017 -0.00008 -0.00103 -0.00103 4 2PY -0.00016 -0.00002 -0.00010 0.00029 -0.00042 5 2PZ -0.00007 0.00004 -0.00002 -0.00046 -0.00035 6 3S 0.00659 0.00197 0.00549 0.00685 0.00122 7 3PX -0.00071 0.00090 0.00163 -0.00279 -0.00389 8 3PY 0.00298 0.00001 0.00172 0.00600 0.00151 9 3PZ -0.00133 -0.00065 -0.00084 -0.00012 0.00089 10 4XX -0.00009 -0.00002 -0.00010 -0.00007 0.00001 11 4YY -0.00022 0.00010 -0.00006 -0.00005 -0.00008 12 4ZZ -0.00023 0.00003 -0.00003 -0.00041 -0.00013 13 4XY -0.00010 -0.00003 -0.00004 -0.00007 -0.00006 14 4XZ 0.00015 0.00008 0.00014 0.00000 0.00020 15 4YZ -0.00009 -0.00003 0.00007 0.00009 0.00003 16 2 C 1S -0.00024 0.70182 0.70214 -0.00095 -0.00032 17 2S 0.00002 0.03492 0.03574 0.00239 -0.00006 18 2PX 0.00008 -0.00029 -0.00032 -0.00110 -0.00029 19 2PY 0.00000 -0.00007 0.00031 0.00045 -0.00030 20 2PZ -0.00005 0.00003 0.00009 0.00033 -0.00003 21 3S -0.00332 -0.00727 -0.01874 -0.00026 0.00536 22 3PX 0.00160 0.00112 0.00331 0.00189 -0.00202 23 3PY -0.00090 0.00031 -0.00431 -0.00156 0.00165 24 3PZ -0.00088 -0.00054 -0.00207 -0.00041 0.00247 25 4XX -0.00004 -0.00666 -0.00640 0.00000 -0.00004 26 4YY -0.00005 -0.00675 -0.00613 0.00016 0.00007 27 4ZZ 0.00001 -0.00665 -0.00638 0.00014 -0.00006 28 4XY 0.00000 -0.00007 0.00002 0.00005 0.00007 29 4XZ 0.00001 -0.00011 -0.00015 -0.00008 -0.00012 30 4YZ -0.00005 0.00005 0.00006 -0.00007 -0.00004 31 3 C 1S 0.00023 0.70183 -0.70213 -0.00095 0.00032 32 2S -0.00002 0.03492 -0.03573 0.00239 0.00006 33 2PX -0.00008 -0.00029 0.00032 -0.00110 0.00029 34 2PY 0.00000 0.00007 0.00031 -0.00045 -0.00030 35 2PZ 0.00005 0.00003 -0.00009 0.00033 0.00003 36 3S 0.00332 -0.00727 0.01874 -0.00026 -0.00536 37 3PX -0.00160 0.00112 -0.00331 0.00189 0.00202 38 3PY -0.00090 -0.00031 -0.00431 0.00156 0.00165 39 3PZ 0.00088 -0.00054 0.00207 -0.00041 -0.00247 40 4XX 0.00004 -0.00666 0.00640 0.00000 0.00004 41 4YY 0.00005 -0.00675 0.00613 0.00016 -0.00007 42 4ZZ -0.00001 -0.00665 0.00638 0.00014 0.00006 43 4XY 0.00000 0.00007 0.00002 -0.00005 0.00006 44 4XZ -0.00001 -0.00011 0.00015 -0.00008 0.00012 45 4YZ -0.00005 -0.00005 0.00006 0.00007 -0.00004 46 4 C 1S 0.00016 -0.01105 0.01072 -0.00251 0.00132 47 2S 0.00125 -0.00064 0.00065 0.00349 -0.00167 48 2PX 0.00001 -0.00017 0.00008 -0.00103 0.00103 49 2PY -0.00016 0.00002 -0.00010 -0.00029 -0.00042 50 2PZ 0.00007 0.00004 0.00002 -0.00046 0.00035 51 3S -0.00659 0.00197 -0.00549 0.00685 -0.00122 52 3PX 0.00071 0.00090 -0.00163 -0.00279 0.00389 53 3PY 0.00298 -0.00001 0.00172 -0.00600 0.00151 54 3PZ 0.00133 -0.00065 0.00084 -0.00012 -0.00089 55 4XX 0.00009 -0.00002 0.00010 -0.00007 -0.00001 56 4YY 0.00022 0.00010 0.00006 -0.00005 0.00008 57 4ZZ 0.00023 0.00003 0.00003 -0.00041 0.00013 58 4XY -0.00010 0.00003 -0.00004 0.00007 -0.00006 59 4XZ -0.00015 0.00008 -0.00014 0.00000 -0.00020 60 4YZ -0.00009 0.00003 0.00007 -0.00009 0.00003 61 5 H 1S -0.00007 -0.00007 0.00001 0.00130 0.00063 62 2S 0.00056 -0.00001 0.00019 0.00490 0.00388 63 6 H 1S -0.00001 -0.00038 -0.00033 0.00012 0.00017 64 2S -0.00052 0.00114 0.00034 -0.00080 0.00121 65 7 H 1S 0.00001 -0.00038 0.00033 0.00012 -0.00017 66 2S 0.00052 0.00114 -0.00034 -0.00080 -0.00121 67 8 H 1S 0.00007 -0.00007 -0.00001 0.00130 -0.00063 68 2S -0.00056 -0.00001 -0.00019 0.00490 -0.00388 69 9 C 1S 0.00000 0.00248 0.00000 -0.00183 0.00000 70 2S 0.00000 -0.00019 0.00000 0.00443 0.00000 71 2PX 0.00000 -0.00010 0.00000 -0.00112 0.00000 72 2PY 0.00030 0.00000 0.00014 0.00000 -0.00120 73 2PZ 0.00000 -0.00004 0.00000 -0.00136 0.00000 74 3S 0.00000 0.00078 0.00000 -0.00714 0.00000 75 3PX 0.00000 0.00109 0.00000 0.00113 0.00000 76 3PY 0.00107 0.00000 0.00027 0.00000 0.00372 77 3PZ 0.00000 -0.00047 0.00000 0.00392 0.00000 78 4XX 0.00000 0.00001 0.00000 0.00025 0.00000 79 4YY 0.00000 -0.00003 0.00000 0.00005 0.00000 80 4ZZ 0.00000 0.00007 0.00000 0.00012 0.00000 81 4XY 0.00002 0.00000 0.00002 0.00000 -0.00004 82 4XZ 0.00000 -0.00010 0.00000 0.00018 0.00000 83 4YZ -0.00007 0.00000 0.00003 0.00000 -0.00010 84 10 H 1S 0.00000 0.00002 0.00000 0.00238 0.00000 85 2S 0.00000 0.00071 0.00000 -0.00008 0.00000 86 11 H 1S 0.00000 -0.00019 0.00000 0.00048 0.00000 87 2S 0.00000 -0.00010 0.00000 -0.00089 0.00000 88 12 C 1S -0.70221 0.00253 -0.00024 -0.01775 0.01153 89 2S -0.03684 0.00006 -0.00010 0.03551 -0.02225 90 2PX -0.00004 -0.00021 0.00021 -0.01536 0.01148 91 2PY 0.00025 0.00004 -0.00001 0.00872 -0.01797 92 2PZ -0.00044 -0.00003 -0.00004 0.00835 -0.00632 93 3S 0.02877 -0.00060 0.00154 0.00706 0.02948 94 3PX -0.00366 0.00113 -0.00302 0.00694 -0.00414 95 3PY -0.00485 -0.00036 0.00113 0.01021 -0.02638 96 3PZ 0.00556 -0.00027 0.00172 -0.00724 0.00841 97 4XX 0.00618 -0.00012 0.00007 0.00121 -0.00160 98 4YY 0.00574 -0.00009 0.00002 0.00242 -0.00133 99 4ZZ 0.00597 -0.00015 0.00002 0.00000 0.00002 100 4XY -0.00001 0.00007 0.00001 -0.00317 0.00351 101 4XZ 0.00003 0.00006 -0.00005 -0.00197 0.00195 102 4YZ -0.00004 -0.00005 0.00007 0.00133 -0.00182 103 13 C 1S 0.70278 0.00253 0.00024 -0.01775 -0.01153 104 2S 0.03687 0.00006 0.00010 0.03550 0.02226 105 2PX 0.00004 -0.00021 -0.00021 -0.01536 -0.01149 106 2PY 0.00025 -0.00004 -0.00001 -0.00871 -0.01797 107 2PZ 0.00044 -0.00003 0.00004 0.00834 0.00632 108 3S -0.02878 -0.00060 -0.00154 0.00707 -0.02948 109 3PX 0.00366 0.00113 0.00302 0.00694 0.00414 110 3PY -0.00484 0.00036 0.00113 -0.01020 -0.02638 111 3PZ -0.00556 -0.00027 -0.00172 -0.00724 -0.00841 112 4XX -0.00619 -0.00012 -0.00007 0.00121 0.00160 113 4YY -0.00575 -0.00009 -0.00002 0.00242 0.00133 114 4ZZ -0.00597 -0.00015 -0.00002 0.00000 -0.00002 115 4XY -0.00001 -0.00007 0.00001 0.00317 0.00351 116 4XZ -0.00003 0.00006 0.00005 -0.00197 -0.00195 117 4YZ -0.00004 0.00005 0.00007 -0.00133 -0.00182 118 14 C 1S -0.00163 -0.00002 -0.00002 -0.08684 -0.08497 119 2S -0.00067 -0.00017 -0.00025 0.16770 0.16224 120 2PX 0.00001 0.00004 0.00002 -0.01154 -0.01158 121 2PY -0.00003 -0.00001 0.00001 -0.11742 -0.12523 122 2PZ 0.00009 0.00000 -0.00002 -0.00756 -0.00792 123 3S 0.00898 0.00123 0.00331 0.05847 0.05171 124 3PX 0.00380 0.00038 0.00143 0.00503 0.00442 125 3PY 0.00608 0.00091 0.00133 0.04310 0.05924 126 3PZ -0.00155 -0.00040 -0.00089 0.00212 0.00405 127 4XX -0.00017 -0.00002 -0.00001 -0.01293 -0.01339 128 4YY -0.00015 -0.00001 0.00003 0.01478 0.01344 129 4ZZ -0.00025 -0.00002 -0.00005 -0.01345 -0.01381 130 4XY -0.00004 0.00003 0.00005 0.00286 0.00285 131 4XZ 0.00010 -0.00005 -0.00006 -0.00051 -0.00024 132 4YZ 0.00011 -0.00002 -0.00002 0.00230 0.00222 133 15 C 1S 0.00005 -0.00004 -0.00001 -0.01932 -0.01206 134 2S 0.00020 0.00005 0.00008 0.03820 0.02277 135 2PX -0.00005 0.00000 -0.00001 0.01373 0.01001 136 2PY 0.00005 0.00005 0.00001 -0.00872 -0.01945 137 2PZ 0.00005 0.00001 0.00000 -0.01172 -0.00861 138 3S -0.00591 -0.00018 -0.00156 0.01512 -0.03092 139 3PX -0.00182 -0.00021 -0.00044 -0.00875 -0.00878 140 3PY -0.00389 -0.00022 -0.00127 -0.01374 -0.02907 141 3PZ 0.00106 0.00015 0.00031 0.00592 0.00429 142 4XX 0.00002 0.00001 0.00000 0.00075 0.00093 143 4YY 0.00000 0.00002 -0.00001 0.00246 0.00160 144 4ZZ 0.00004 0.00001 0.00001 0.00004 0.00032 145 4XY 0.00001 0.00000 0.00000 -0.00243 -0.00305 146 4XZ 0.00002 0.00001 0.00001 -0.00231 -0.00232 147 4YZ 0.00003 -0.00001 0.00001 0.00213 0.00254 148 16 C 1S -0.00005 -0.00004 0.00001 -0.01933 0.01206 149 2S -0.00020 0.00005 -0.00008 0.03821 -0.02277 150 2PX 0.00005 0.00000 0.00001 0.01374 -0.01001 151 2PY 0.00005 -0.00005 0.00001 0.00873 -0.01945 152 2PZ -0.00005 0.00001 0.00000 -0.01172 0.00860 153 3S 0.00591 -0.00018 0.00156 0.01512 0.03092 154 3PX 0.00182 -0.00021 0.00044 -0.00875 0.00878 155 3PY -0.00389 0.00022 -0.00127 0.01374 -0.02907 156 3PZ -0.00106 0.00015 -0.00031 0.00592 -0.00429 157 4XX -0.00002 0.00001 0.00000 0.00075 -0.00093 158 4YY 0.00000 0.00002 0.00001 0.00246 -0.00160 159 4ZZ -0.00004 0.00001 -0.00001 0.00004 -0.00032 160 4XY 0.00001 0.00000 0.00000 0.00243 -0.00305 161 4XZ -0.00002 0.00001 -0.00001 -0.00231 0.00232 162 4YZ 0.00003 0.00001 0.00001 -0.00213 0.00254 163 17 C 1S 0.00163 -0.00002 0.00002 -0.08685 0.08496 164 2S 0.00067 -0.00017 0.00025 0.16773 -0.16221 165 2PX -0.00001 0.00004 -0.00002 -0.01154 0.01158 166 2PY -0.00003 0.00001 0.00001 0.11745 -0.12521 167 2PZ -0.00009 0.00000 0.00002 -0.00756 0.00792 168 3S -0.00897 0.00123 -0.00331 0.05848 -0.05170 169 3PX -0.00380 0.00038 -0.00143 0.00503 -0.00442 170 3PY 0.00607 -0.00091 0.00133 -0.04311 0.05924 171 3PZ 0.00155 -0.00040 0.00089 0.00212 -0.00405 172 4XX 0.00017 -0.00002 0.00001 -0.01293 0.01339 173 4YY 0.00015 -0.00001 -0.00003 0.01478 -0.01344 174 4ZZ 0.00025 -0.00002 0.00005 -0.01346 0.01381 175 4XY -0.00004 -0.00003 0.00005 -0.00286 0.00285 176 4XZ -0.00010 -0.00005 0.00006 -0.00051 0.00024 177 4YZ 0.00011 0.00002 -0.00002 -0.00230 0.00222 178 18 H 1S 0.00003 -0.00015 0.00031 0.00614 -0.00517 179 2S -0.00039 0.00001 0.00031 -0.00390 0.00278 180 19 H 1S -0.00003 -0.00015 -0.00031 0.00614 0.00517 181 2S 0.00039 0.00001 -0.00031 -0.00390 -0.00278 182 20 H 1S -0.00015 -0.00003 -0.00005 0.00624 0.00524 183 2S -0.00083 -0.00009 -0.00027 -0.00678 -0.00367 184 21 H 1S 0.00015 -0.00003 0.00005 0.00624 -0.00524 185 2S 0.00083 -0.00009 0.00027 -0.00679 0.00367 186 22 O 1S 0.00008 -0.00002 0.00001 -0.13490 0.13755 187 2S 0.00036 -0.00007 0.00003 0.29007 -0.29280 188 2PX -0.00004 0.00000 -0.00001 0.00985 -0.00995 189 2PY -0.00001 0.00000 0.00000 -0.11109 0.11239 190 2PZ 0.00001 -0.00002 0.00001 0.00815 -0.00823 191 3S -0.00256 0.00049 -0.00018 0.29527 -0.31630 192 3PX 0.00050 -0.00002 0.00016 0.00383 -0.00480 193 3PY 0.00038 -0.00007 -0.00008 -0.04462 0.04959 194 3PZ -0.00033 0.00011 -0.00013 0.00354 -0.00388 195 4XX 0.00018 -0.00005 0.00001 -0.00773 0.00903 196 4YY 0.00018 -0.00005 0.00005 0.00643 -0.00597 197 4ZZ 0.00021 -0.00004 0.00002 -0.00669 0.00794 198 4XY -0.00006 0.00000 -0.00002 -0.00128 0.00144 199 4XZ 0.00003 0.00000 0.00001 0.00175 -0.00189 200 4YZ 0.00006 -0.00001 0.00002 -0.00099 0.00104 201 23 O 1S -0.00008 -0.00002 -0.00001 -0.13487 -0.13758 202 2S -0.00037 -0.00007 -0.00003 0.29002 0.29286 203 2PX 0.00004 0.00000 0.00001 0.00985 0.00996 204 2PY -0.00001 0.00000 0.00000 0.11107 0.11240 205 2PZ -0.00001 -0.00002 -0.00001 0.00815 0.00823 206 3S 0.00257 0.00049 0.00018 0.29521 0.31635 207 3PX -0.00050 -0.00002 -0.00016 0.00383 0.00480 208 3PY 0.00038 0.00007 -0.00008 0.04462 0.04960 209 3PZ 0.00033 0.00011 0.00013 0.00354 0.00388 210 4XX -0.00019 -0.00005 -0.00001 -0.00773 -0.00903 211 4YY -0.00018 -0.00005 -0.00005 0.00643 0.00597 212 4ZZ -0.00021 -0.00004 -0.00002 -0.00669 -0.00794 213 4XY -0.00006 0.00000 -0.00002 0.00128 0.00144 214 4XZ -0.00003 0.00000 -0.00001 0.00175 0.00189 215 4YZ 0.00006 0.00001 0.00002 0.00099 0.00104 16 17 18 19 20 O O O O O Eigenvalues -- -0.88725 -0.83576 -0.76865 -0.72794 -0.72487 1 1 C 1S -0.09531 0.02030 0.00690 -0.03064 0.12312 2 2S 0.17690 -0.03849 -0.01436 0.06069 -0.24187 3 2PX 0.03116 -0.02120 -0.02693 -0.07236 -0.04415 4 2PY 0.06963 -0.01620 -0.00973 0.03146 0.01484 5 2PZ -0.00729 0.00024 -0.00339 0.09749 0.02327 6 3S 0.13474 -0.02581 -0.00442 0.04720 -0.22803 7 3PX 0.00284 -0.00080 -0.00538 -0.01254 -0.00825 8 3PY 0.02163 -0.00208 0.00048 -0.00126 -0.00022 9 3PZ -0.00420 0.00012 -0.00133 0.01852 0.00490 10 4XX -0.00450 0.00134 0.00020 -0.00675 0.00377 11 4YY 0.00519 -0.00118 -0.00074 0.00635 0.00170 12 4ZZ -0.00487 0.00120 0.00069 -0.00037 0.00534 13 4XY 0.00334 -0.00177 -0.00199 -0.00595 -0.00357 14 4XZ -0.00600 0.00218 0.00243 0.00190 0.00640 15 4YZ 0.00024 -0.00004 -0.00021 0.00957 0.00246 16 2 C 1S -0.09695 0.03127 0.02817 0.10494 0.07600 17 2S 0.18461 -0.05968 -0.05500 -0.20747 -0.15288 18 2PX -0.05242 0.01046 -0.00041 -0.01886 0.05473 19 2PY 0.04736 -0.01636 -0.01730 -0.06508 0.08723 20 2PZ 0.03923 -0.01165 -0.00833 0.03088 -0.03780 21 3S 0.10644 -0.04111 -0.04043 -0.16694 -0.09649 22 3PX -0.00060 0.00140 -0.00036 -0.00738 -0.00738 23 3PY 0.00231 -0.00169 -0.00306 -0.00476 0.02850 24 3PZ -0.00033 -0.00185 -0.00257 0.01179 0.00923 25 4XX -0.00212 0.00146 0.00220 0.00659 -0.00253 26 4YY 0.00263 -0.00103 -0.00133 -0.00618 0.00875 27 4ZZ -0.00454 0.00152 0.00135 0.00816 0.00035 28 4XY -0.00220 0.00065 0.00058 0.00242 -0.00304 29 4XZ -0.00828 0.00261 0.00218 0.00255 0.00863 30 4YZ 0.00215 -0.00074 -0.00086 -0.00205 0.00137 31 3 C 1S -0.09695 0.03127 0.02817 0.10494 -0.07600 32 2S 0.18461 -0.05968 -0.05500 -0.20747 0.15288 33 2PX -0.05242 0.01046 -0.00041 -0.01886 -0.05474 34 2PY -0.04736 0.01636 0.01730 0.06508 0.08723 35 2PZ 0.03923 -0.01165 -0.00833 0.03088 0.03780 36 3S 0.10644 -0.04111 -0.04043 -0.16694 0.09649 37 3PX -0.00060 0.00140 -0.00036 -0.00738 0.00738 38 3PY -0.00231 0.00169 0.00306 0.00476 0.02850 39 3PZ -0.00033 -0.00185 -0.00257 0.01179 -0.00923 40 4XX -0.00212 0.00146 0.00220 0.00659 0.00253 41 4YY 0.00263 -0.00103 -0.00133 -0.00618 -0.00875 42 4ZZ -0.00454 0.00152 0.00135 0.00816 -0.00035 43 4XY 0.00220 -0.00065 -0.00058 -0.00242 -0.00304 44 4XZ -0.00828 0.00261 0.00218 0.00255 -0.00863 45 4YZ -0.00215 0.00074 0.00086 0.00205 0.00137 46 4 C 1S -0.09531 0.02030 0.00690 -0.03064 -0.12312 47 2S 0.17691 -0.03849 -0.01436 0.06068 0.24187 48 2PX 0.03116 -0.02120 -0.02693 -0.07236 0.04414 49 2PY -0.06963 0.01620 0.00973 -0.03146 0.01484 50 2PZ -0.00729 0.00024 -0.00339 0.09749 -0.02327 51 3S 0.13474 -0.02581 -0.00442 0.04720 0.22803 52 3PX 0.00284 -0.00080 -0.00538 -0.01254 0.00825 53 3PY -0.02163 0.00208 -0.00048 0.00126 -0.00022 54 3PZ -0.00420 0.00012 -0.00133 0.01852 -0.00490 55 4XX -0.00450 0.00134 0.00020 -0.00675 -0.00377 56 4YY 0.00519 -0.00118 -0.00074 0.00635 -0.00170 57 4ZZ -0.00487 0.00120 0.00069 -0.00037 -0.00534 58 4XY -0.00334 0.00177 0.00199 0.00595 -0.00357 59 4XZ -0.00600 0.00218 0.00243 0.00190 -0.00640 60 4YZ -0.00024 0.00004 0.00021 -0.00957 0.00246 61 5 H 1S 0.03219 -0.00597 0.00023 0.02264 -0.08592 62 2S 0.00458 -0.00077 0.00046 0.00324 -0.02110 63 6 H 1S 0.03121 -0.01192 -0.01375 -0.06924 -0.05144 64 2S -0.00141 -0.00104 -0.00297 -0.01568 -0.00601 65 7 H 1S 0.03121 -0.01192 -0.01375 -0.06924 0.05144 66 2S -0.00141 -0.00104 -0.00297 -0.01568 0.00601 67 8 H 1S 0.03219 -0.00597 0.00023 0.02264 0.08592 68 2S 0.00458 -0.00077 0.00046 0.00324 0.02110 69 9 C 1S -0.09365 0.01689 0.00682 -0.14600 0.00000 70 2S 0.17451 -0.03166 -0.01186 0.28453 0.00000 71 2PX 0.03568 -0.01925 -0.01556 -0.00470 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.10631 73 2PZ -0.05666 0.00869 -0.00175 0.01103 0.00000 74 3S 0.11671 -0.02176 -0.01581 0.27016 0.00000 75 3PX 0.00746 -0.00813 -0.00691 -0.00603 0.00000 76 3PY 0.00000 0.00000 0.00000 0.00000 0.01977 77 3PZ -0.00060 0.00362 -0.00015 0.00503 0.00000 78 4XX -0.00089 0.00050 -0.00029 0.00114 0.00000 79 4YY -0.00160 0.00007 0.00030 -0.00447 0.00000 80 4ZZ 0.00231 -0.00059 0.00024 -0.00172 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00599 82 4XZ -0.00507 0.00211 0.00145 0.00161 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01088 84 10 H 1S 0.03725 0.00210 -0.00073 0.10141 0.00000 85 2S 0.00124 -0.00259 -0.00133 0.02187 0.00000 86 11 H 1S 0.04338 -0.01105 -0.00766 0.09909 0.00000 87 2S -0.00133 -0.00167 -0.00003 0.02490 0.00000 88 12 C 1S -0.03485 -0.07666 -0.11864 0.01720 -0.03680 89 2S 0.06605 0.14438 0.22871 -0.03513 0.06799 90 2PX 0.00549 -0.03796 -0.01049 0.00265 -0.00353 91 2PY -0.01720 -0.03926 -0.06057 0.00889 0.04137 92 2PZ 0.01064 0.01635 -0.00876 0.01423 0.01173 93 3S 0.04477 0.10421 0.19340 -0.02393 0.09438 94 3PX -0.00040 -0.00345 -0.00067 -0.00160 0.00005 95 3PY -0.00220 -0.00448 -0.00283 0.00036 -0.00337 96 3PZ 0.00258 0.00449 0.00064 0.00733 0.01120 97 4XX -0.00089 -0.00302 -0.00777 -0.00004 0.00058 98 4YY 0.00070 0.00153 0.00518 -0.00120 -0.00436 99 4ZZ -0.00115 -0.00429 -0.00587 0.00182 -0.00015 100 4XY -0.00011 0.00065 0.00029 -0.00033 -0.00009 101 4XZ -0.00065 -0.00518 -0.00451 0.00170 -0.00200 102 4YZ -0.00088 -0.00113 -0.00212 0.00018 0.00008 103 13 C 1S -0.03485 -0.07666 -0.11864 0.01720 0.03680 104 2S 0.06605 0.14438 0.22871 -0.03513 -0.06799 105 2PX 0.00549 -0.03796 -0.01048 0.00265 0.00353 106 2PY 0.01720 0.03926 0.06057 -0.00890 0.04137 107 2PZ 0.01064 0.01635 -0.00876 0.01423 -0.01173 108 3S 0.04477 0.10420 0.19340 -0.02393 -0.09438 109 3PX -0.00040 -0.00345 -0.00067 -0.00160 -0.00005 110 3PY 0.00220 0.00448 0.00283 -0.00036 -0.00337 111 3PZ 0.00258 0.00449 0.00064 0.00733 -0.01120 112 4XX -0.00089 -0.00302 -0.00777 -0.00004 -0.00058 113 4YY 0.00070 0.00153 0.00518 -0.00120 0.00436 114 4ZZ -0.00115 -0.00429 -0.00587 0.00182 0.00015 115 4XY 0.00011 -0.00065 -0.00029 0.00033 -0.00009 116 4XZ -0.00065 -0.00518 -0.00451 0.00170 0.00201 117 4YZ 0.00088 0.00113 0.00212 -0.00018 0.00008 118 14 C 1S -0.00832 -0.04874 -0.00986 0.00378 0.02565 119 2S 0.01648 0.09553 0.02111 -0.00810 -0.05471 120 2PX 0.01122 -0.00288 0.08833 -0.00283 -0.02489 121 2PY 0.03066 0.12629 0.01724 -0.00755 -0.04647 122 2PZ -0.00077 0.01459 -0.06085 0.00891 0.00392 123 3S 0.00867 0.06341 0.01072 -0.00495 -0.03483 124 3PX 0.00113 0.00063 0.00503 -0.00040 -0.00002 125 3PY 0.00281 0.03399 -0.00137 -0.00718 0.00458 126 3PZ 0.00092 0.00336 -0.00464 0.00362 -0.00047 127 4XX 0.00190 0.00391 0.00065 -0.00005 -0.00254 128 4YY -0.00168 -0.00573 -0.00104 0.00016 0.00433 129 4ZZ 0.00039 0.00014 -0.00055 0.00005 -0.00014 130 4XY 0.00059 -0.00211 0.00807 -0.00032 -0.00034 131 4XZ -0.00132 -0.00711 -0.00061 0.00110 0.00255 132 4YZ -0.00040 0.00064 -0.00586 0.00067 0.00058 133 15 C 1S -0.01279 -0.11207 0.10251 -0.00041 0.01307 134 2S 0.02328 0.21580 -0.20135 -0.00062 -0.02471 135 2PX 0.00634 0.02979 0.01540 -0.00025 -0.01137 136 2PY 0.00778 0.06609 -0.06480 -0.00008 0.01525 137 2PZ -0.00377 -0.02218 -0.01014 0.00382 0.00751 138 3S 0.01687 0.14606 -0.15920 0.00353 -0.04011 139 3PX 0.00273 0.00295 0.00602 0.00239 -0.00694 140 3PY 0.00172 0.00509 0.00086 0.00106 -0.00995 141 3PZ -0.00054 -0.00075 -0.00475 0.00144 0.00261 142 4XX -0.00025 -0.00388 0.00589 0.00003 -0.00105 143 4YY 0.00002 0.00380 -0.00577 -0.00019 0.00165 144 4ZZ -0.00109 -0.00740 0.00746 -0.00048 0.00030 145 4XY 0.00024 0.00156 -0.00157 0.00010 0.00071 146 4XZ -0.00089 -0.00661 0.00331 0.00041 0.00185 147 4YZ -0.00015 -0.00110 0.00104 0.00008 -0.00040 148 16 C 1S -0.01279 -0.11207 0.10251 -0.00041 -0.01307 149 2S 0.02328 0.21580 -0.20135 -0.00062 0.02471 150 2PX 0.00634 0.02979 0.01540 -0.00025 0.01137 151 2PY -0.00778 -0.06609 0.06480 0.00008 0.01525 152 2PZ -0.00377 -0.02218 -0.01014 0.00382 -0.00751 153 3S 0.01687 0.14606 -0.15920 0.00353 0.04011 154 3PX 0.00273 0.00295 0.00602 0.00239 0.00694 155 3PY -0.00172 -0.00509 -0.00086 -0.00106 -0.00995 156 3PZ -0.00054 -0.00075 -0.00475 0.00144 -0.00261 157 4XX -0.00025 -0.00388 0.00589 0.00003 0.00105 158 4YY 0.00002 0.00380 -0.00577 -0.00019 -0.00165 159 4ZZ -0.00109 -0.00740 0.00746 -0.00048 -0.00030 160 4XY -0.00024 -0.00156 0.00157 -0.00010 0.00071 161 4XZ -0.00089 -0.00661 0.00331 0.00041 -0.00185 162 4YZ 0.00015 0.00110 -0.00104 -0.00008 -0.00040 163 17 C 1S -0.00832 -0.04874 -0.00986 0.00378 -0.02565 164 2S 0.01648 0.09553 0.02111 -0.00810 0.05471 165 2PX 0.01122 -0.00288 0.08833 -0.00283 0.02489 166 2PY -0.03066 -0.12629 -0.01725 0.00755 -0.04647 167 2PZ -0.00077 0.01459 -0.06085 0.00891 -0.00392 168 3S 0.00867 0.06341 0.01072 -0.00495 0.03483 169 3PX 0.00113 0.00063 0.00503 -0.00040 0.00002 170 3PY -0.00281 -0.03399 0.00137 0.00718 0.00458 171 3PZ 0.00092 0.00336 -0.00464 0.00362 0.00047 172 4XX 0.00190 0.00391 0.00065 -0.00005 0.00254 173 4YY -0.00168 -0.00573 -0.00104 0.00016 -0.00433 174 4ZZ 0.00039 0.00014 -0.00055 0.00005 0.00014 175 4XY -0.00059 0.00211 -0.00807 0.00032 -0.00034 176 4XZ -0.00132 -0.00711 -0.00061 0.00110 -0.00255 177 4YZ 0.00040 -0.00064 0.00586 -0.00067 0.00058 178 18 H 1S 0.01611 0.02868 0.06521 -0.01500 0.02998 179 2S 0.00142 0.00183 0.01038 -0.00336 0.00995 180 19 H 1S 0.01611 0.02868 0.06521 -0.01500 -0.02998 181 2S 0.00142 0.00183 0.01038 -0.00336 -0.00995 182 20 H 1S 0.00391 0.04498 -0.05912 0.00091 -0.00778 183 2S 0.00040 0.00254 -0.00826 0.00047 -0.00369 184 21 H 1S 0.00391 0.04498 -0.05912 0.00091 0.00778 185 2S 0.00040 0.00254 -0.00826 0.00047 0.00369 186 22 O 1S 0.01357 0.04501 0.00592 -0.00184 0.02034 187 2S -0.03045 -0.10328 -0.01268 0.00520 -0.04487 188 2PX 0.00111 -0.00396 0.01933 -0.00021 0.00704 189 2PY 0.00665 0.01298 0.00057 0.00072 -0.00332 190 2PZ -0.00085 0.00022 -0.01394 0.00286 -0.00152 191 3S -0.02910 -0.09012 -0.01735 -0.00029 -0.06053 192 3PX 0.00067 -0.00067 0.00790 -0.00015 0.00443 193 3PY 0.00133 -0.00266 0.00016 0.00211 -0.00137 194 3PZ -0.00045 0.00009 -0.00572 0.00065 -0.00074 195 4XX 0.00042 0.00016 0.00071 0.00040 0.00108 196 4YY -0.00011 0.00071 0.00045 0.00007 0.00180 197 4ZZ 0.00021 0.00000 0.00011 0.00041 0.00047 198 4XY -0.00022 0.00027 -0.00244 0.00005 -0.00101 199 4XZ -0.00009 -0.00044 -0.00006 0.00012 -0.00025 200 4YZ 0.00009 -0.00015 0.00173 -0.00025 0.00007 201 23 O 1S 0.01357 0.04501 0.00592 -0.00184 -0.02034 202 2S -0.03045 -0.10328 -0.01268 0.00520 0.04487 203 2PX 0.00111 -0.00396 0.01933 -0.00021 -0.00704 204 2PY -0.00665 -0.01298 -0.00057 -0.00072 -0.00332 205 2PZ -0.00085 0.00022 -0.01394 0.00286 0.00152 206 3S -0.02910 -0.09012 -0.01735 -0.00029 0.06053 207 3PX 0.00067 -0.00067 0.00790 -0.00015 -0.00443 208 3PY -0.00133 0.00266 -0.00016 -0.00211 -0.00137 209 3PZ -0.00045 0.00009 -0.00572 0.00065 0.00074 210 4XX 0.00042 0.00016 0.00071 0.00040 -0.00108 211 4YY -0.00011 0.00071 0.00045 0.00007 -0.00180 212 4ZZ 0.00021 0.00000 0.00011 0.00041 -0.00047 213 4XY 0.00022 -0.00027 0.00244 -0.00005 -0.00101 214 4XZ -0.00009 -0.00044 -0.00006 0.00012 0.00025 215 4YZ -0.00009 0.00015 -0.00173 0.00025 0.00007 21 22 23 24 25 O O O O O Eigenvalues -- -0.68782 -0.62359 -0.58754 -0.57409 -0.54806 1 1 C 1S 0.03906 -0.01392 0.04060 0.08144 0.06101 2 2S -0.07846 0.03143 -0.08136 -0.16768 -0.12553 3 2PX -0.03332 0.03253 -0.00187 -0.02783 0.11126 4 2PY 0.00412 0.00190 0.03331 0.09987 0.04943 5 2PZ 0.00511 0.00143 0.03128 0.03525 -0.12770 6 3S -0.07055 0.02118 -0.08882 -0.16927 -0.12932 7 3PX -0.00648 0.01287 0.00397 0.00181 0.03752 8 3PY 0.00051 -0.00326 0.00574 0.04223 0.02524 9 3PZ -0.00104 0.00379 0.01142 0.00639 -0.04054 10 4XX 0.00174 -0.00001 0.00424 0.00505 0.01021 11 4YY 0.00020 0.00021 -0.00143 -0.00353 -0.00785 12 4ZZ 0.00172 -0.00067 0.00331 0.00915 0.00446 13 4XY -0.00112 0.00052 -0.00033 -0.00312 -0.00022 14 4XZ 0.00323 -0.00282 -0.00114 0.00051 -0.00361 15 4YZ 0.00093 -0.00049 0.00395 0.00671 -0.00017 16 2 C 1S 0.03141 -0.02075 -0.02845 -0.03159 -0.09168 17 2S -0.06295 0.04313 0.05902 0.06408 0.18870 18 2PX 0.01709 -0.00366 0.07281 0.09980 0.04653 19 2PY 0.03699 -0.02574 0.05540 0.10828 -0.12073 20 2PZ -0.01491 0.00836 -0.03726 -0.08018 -0.05585 21 3S -0.05014 0.03510 0.05649 0.06211 0.18110 22 3PX -0.00127 0.00374 0.02284 0.03168 0.02683 23 3PY 0.01031 -0.00810 0.01308 0.02571 -0.04930 24 3PZ 0.00037 -0.00048 -0.00829 -0.02696 -0.03052 25 4XX -0.00050 -0.00016 -0.00459 -0.00547 -0.00134 26 4YY 0.00333 -0.00193 0.00324 0.00377 -0.00772 27 4ZZ 0.00006 0.00015 -0.00134 -0.00255 -0.00242 28 4XY -0.00069 -0.00037 -0.00160 -0.00386 -0.00765 29 4XZ 0.00358 -0.00230 -0.00043 0.00217 -0.00574 30 4YZ 0.00044 0.00004 0.00222 0.00319 0.00841 31 3 C 1S -0.03141 0.02075 -0.02845 -0.03159 0.09168 32 2S 0.06295 -0.04313 0.05902 0.06408 -0.18870 33 2PX -0.01709 0.00365 0.07281 0.09980 -0.04653 34 2PY 0.03699 -0.02574 -0.05540 -0.10828 -0.12073 35 2PZ 0.01491 -0.00836 -0.03726 -0.08018 0.05585 36 3S 0.05014 -0.03510 0.05649 0.06211 -0.18110 37 3PX 0.00127 -0.00374 0.02284 0.03168 -0.02683 38 3PY 0.01031 -0.00810 -0.01308 -0.02571 -0.04930 39 3PZ -0.00037 0.00048 -0.00829 -0.02696 0.03052 40 4XX 0.00050 0.00016 -0.00459 -0.00547 0.00134 41 4YY -0.00333 0.00193 0.00324 0.00377 0.00772 42 4ZZ -0.00006 -0.00015 -0.00134 -0.00255 0.00242 43 4XY -0.00069 -0.00037 0.00160 0.00386 -0.00765 44 4XZ -0.00358 0.00230 -0.00043 0.00217 0.00574 45 4YZ 0.00044 0.00004 -0.00222 -0.00319 0.00841 46 4 C 1S -0.03906 0.01392 0.04060 0.08144 -0.06101 47 2S 0.07846 -0.03143 -0.08136 -0.16768 0.12553 48 2PX 0.03332 -0.03253 -0.00187 -0.02783 -0.11126 49 2PY 0.00412 0.00190 -0.03331 -0.09987 0.04943 50 2PZ -0.00511 -0.00143 0.03128 0.03525 0.12770 51 3S 0.07055 -0.02118 -0.08882 -0.16927 0.12932 52 3PX 0.00648 -0.01287 0.00397 0.00181 -0.03752 53 3PY 0.00051 -0.00326 -0.00574 -0.04223 0.02524 54 3PZ 0.00104 -0.00379 0.01143 0.00639 0.04054 55 4XX -0.00174 0.00001 0.00424 0.00505 -0.01021 56 4YY -0.00020 -0.00021 -0.00143 -0.00353 0.00785 57 4ZZ -0.00172 0.00067 0.00331 0.00915 -0.00446 58 4XY -0.00112 0.00052 0.00033 0.00312 -0.00022 59 4XZ -0.00323 0.00282 -0.00114 0.00051 0.00361 60 4YZ 0.00093 -0.00049 -0.00395 -0.00671 -0.00017 61 5 H 1S -0.02655 0.00758 -0.04560 -0.11120 -0.10412 62 2S -0.00985 -0.00009 -0.02374 -0.04682 -0.05135 63 6 H 1S -0.02419 0.02056 0.03944 0.04727 0.15029 64 2S -0.00548 0.00626 0.01868 0.02168 0.07513 65 7 H 1S 0.02419 -0.02056 0.03944 0.04727 -0.15029 66 2S 0.00548 -0.00626 0.01868 0.02168 -0.07513 67 8 H 1S 0.02655 -0.00758 -0.04560 -0.11120 0.10412 68 2S 0.00985 0.00009 -0.02374 -0.04682 0.05135 69 9 C 1S 0.00000 0.00000 -0.03996 -0.07895 0.00000 70 2S 0.00000 0.00000 0.07908 0.15923 0.00000 71 2PX 0.00000 0.00000 -0.02131 -0.03878 0.00000 72 2PY 0.03188 -0.01224 0.00000 0.00000 0.17104 73 2PZ 0.00000 0.00000 0.06655 0.11136 0.00000 74 3S 0.00000 0.00000 0.09869 0.17497 0.00000 75 3PX 0.00000 0.00000 -0.00567 -0.01699 0.00000 76 3PY 0.00404 -0.00571 0.00000 0.00000 0.06344 77 3PZ 0.00000 0.00000 0.02111 0.04308 0.00000 78 4XX 0.00000 0.00000 0.00494 0.00704 0.00000 79 4YY 0.00000 0.00000 -0.00631 -0.01342 0.00000 80 4ZZ 0.00000 0.00000 -0.00140 -0.00057 0.00000 81 4XY 0.00308 -0.00160 0.00000 0.00000 0.00285 82 4XZ 0.00000 0.00000 0.00197 0.00376 0.00000 83 4YZ -0.00297 0.00105 0.00000 0.00000 -0.00870 84 10 H 1S 0.00000 0.00000 0.05629 0.10010 0.00000 85 2S 0.00000 0.00000 0.02607 0.04510 0.00000 86 11 H 1S 0.00000 0.00000 0.05176 0.09749 0.00000 87 2S 0.00000 0.00000 0.02252 0.04617 0.00000 88 12 C 1S 0.06346 -0.08311 0.03483 -0.02849 0.01024 89 2S -0.12423 0.16590 -0.07032 0.05942 -0.02412 90 2PX 0.05438 -0.01844 -0.12097 0.04212 0.00786 91 2PY -0.07289 0.10940 0.05973 -0.06698 -0.01449 92 2PZ -0.02188 -0.01328 0.08978 -0.06660 0.01762 93 3S -0.13154 0.18075 -0.07874 0.05219 -0.00283 94 3PX 0.00751 -0.01181 -0.03929 0.01206 -0.00311 95 3PY -0.00112 0.04417 0.00775 -0.01741 -0.01171 96 3PZ -0.00430 0.00065 0.02751 -0.02244 0.01467 97 4XX -0.00175 -0.00214 0.00701 -0.00557 -0.00090 98 4YY 0.00761 -0.00646 -0.00418 0.00334 0.00073 99 4ZZ 0.00001 0.00003 -0.00003 -0.00097 0.00074 100 4XY 0.00405 -0.00182 -0.00204 0.00094 0.00067 101 4XZ 0.00730 -0.00554 -0.00269 -0.00014 0.00201 102 4YZ -0.00028 -0.00308 0.00274 -0.00215 0.00187 103 13 C 1S -0.06346 0.08312 0.03483 -0.02849 -0.01024 104 2S 0.12423 -0.16590 -0.07032 0.05942 0.02412 105 2PX -0.05438 0.01844 -0.12097 0.04213 -0.00786 106 2PY -0.07289 0.10940 -0.05973 0.06698 -0.01449 107 2PZ 0.02188 0.01328 0.08978 -0.06660 -0.01762 108 3S 0.13154 -0.18075 -0.07874 0.05219 0.00283 109 3PX -0.00751 0.01181 -0.03929 0.01206 0.00311 110 3PY -0.00112 0.04417 -0.00775 0.01741 -0.01171 111 3PZ 0.00430 -0.00065 0.02751 -0.02244 -0.01467 112 4XX 0.00175 0.00214 0.00701 -0.00557 0.00090 113 4YY -0.00761 0.00646 -0.00418 0.00334 -0.00073 114 4ZZ -0.00001 -0.00003 -0.00003 -0.00097 -0.00074 115 4XY 0.00405 -0.00182 0.00204 -0.00094 0.00067 116 4XZ -0.00730 0.00554 -0.00269 -0.00014 -0.00201 117 4YZ -0.00028 -0.00308 -0.00274 0.00215 0.00187 118 14 C 1S -0.09003 0.00253 -0.07434 0.04035 -0.00610 119 2S 0.19001 -0.00615 0.16212 -0.09000 0.01415 120 2PX 0.00217 -0.16875 -0.00539 -0.00151 0.00176 121 2PY 0.14474 0.00134 0.08826 -0.04138 0.00591 122 2PZ 0.01628 0.12171 0.01423 -0.01832 -0.02143 123 3S 0.15363 0.00196 0.13370 -0.07094 0.01308 124 3PX 0.00186 -0.01475 0.00531 0.00020 -0.00110 125 3PY 0.02835 0.00570 0.03507 -0.01407 0.01475 126 3PZ 0.00448 0.01276 0.00432 -0.00597 -0.00877 127 4XX 0.00424 0.00004 -0.00449 0.00080 -0.00043 128 4YY -0.01299 0.00007 -0.00674 0.00453 -0.00030 129 4ZZ -0.00072 0.00069 -0.00480 0.00270 0.00011 130 4XY -0.00124 -0.00542 -0.00028 0.00142 0.00064 131 4XZ -0.00924 -0.00051 -0.00065 0.00015 -0.00132 132 4YZ 0.00005 0.00380 0.00013 -0.00050 0.00003 133 15 C 1S -0.07215 -0.08288 0.03723 -0.01421 0.00233 134 2S 0.14399 0.16862 -0.07678 0.02804 -0.00360 135 2PX 0.04127 -0.00364 0.13675 -0.06855 0.00207 136 2PY -0.09231 -0.11860 -0.08668 0.04613 0.00358 137 2PZ -0.03119 0.00044 -0.10026 0.05287 -0.00495 138 3S 0.14416 0.15917 -0.06971 0.02968 -0.01728 139 3PX 0.00454 -0.00217 0.04400 -0.02110 -0.00428 140 3PY -0.00773 -0.05715 -0.01628 0.00852 -0.00469 141 3PZ -0.00204 0.00102 -0.03205 0.01786 0.00058 142 4XX 0.00315 0.00021 0.00465 -0.00236 -0.00010 143 4YY -0.00720 -0.00517 -0.00465 0.00189 0.00007 144 4ZZ -0.00116 -0.00278 0.00384 -0.00167 0.00052 145 4XY -0.00227 0.00187 -0.00313 0.00189 -0.00024 146 4XZ -0.00831 -0.00621 -0.00174 0.00133 -0.00007 147 4YZ 0.00171 -0.00109 0.00245 -0.00104 0.00051 148 16 C 1S 0.07215 0.08288 0.03723 -0.01421 -0.00233 149 2S -0.14399 -0.16862 -0.07678 0.02804 0.00360 150 2PX -0.04127 0.00364 0.13675 -0.06855 -0.00207 151 2PY -0.09231 -0.11860 0.08668 -0.04613 0.00358 152 2PZ 0.03119 -0.00044 -0.10026 0.05287 0.00495 153 3S -0.14416 -0.15917 -0.06971 0.02967 0.01728 154 3PX -0.00454 0.00217 0.04400 -0.02110 0.00428 155 3PY -0.00773 -0.05715 0.01628 -0.00852 -0.00469 156 3PZ 0.00204 -0.00102 -0.03205 0.01786 -0.00058 157 4XX -0.00315 -0.00021 0.00465 -0.00236 0.00010 158 4YY 0.00720 0.00517 -0.00465 0.00189 -0.00007 159 4ZZ 0.00116 0.00278 0.00384 -0.00167 -0.00052 160 4XY -0.00227 0.00187 0.00313 -0.00189 -0.00024 161 4XZ 0.00831 0.00621 -0.00174 0.00133 0.00007 162 4YZ 0.00171 -0.00109 -0.00245 0.00104 0.00051 163 17 C 1S 0.09003 -0.00253 -0.07434 0.04035 0.00611 164 2S -0.19001 0.00615 0.16212 -0.09000 -0.01415 165 2PX -0.00217 0.16875 -0.00539 -0.00151 -0.00176 166 2PY 0.14474 0.00134 -0.08826 0.04138 0.00591 167 2PZ -0.01628 -0.12171 0.01423 -0.01832 0.02143 168 3S -0.15363 -0.00196 0.13370 -0.07094 -0.01308 169 3PX -0.00186 0.01476 0.00531 0.00020 0.00110 170 3PY 0.02835 0.00570 -0.03507 0.01407 0.01475 171 3PZ -0.00448 -0.01276 0.00432 -0.00597 0.00877 172 4XX -0.00424 -0.00004 -0.00449 0.00080 0.00043 173 4YY 0.01299 -0.00007 -0.00674 0.00453 0.00030 174 4ZZ 0.00072 -0.00069 -0.00480 0.00270 -0.00011 175 4XY -0.00124 -0.00542 0.00028 -0.00142 0.00064 176 4XZ 0.00924 0.00051 -0.00065 0.00015 0.00132 177 4YZ 0.00005 0.00380 -0.00013 0.00050 0.00003 178 18 H 1S -0.04245 0.08879 -0.07015 0.03946 -0.01975 179 2S -0.00943 0.03325 -0.03213 0.02052 -0.00980 180 19 H 1S 0.04245 -0.08879 -0.07015 0.03946 0.01975 181 2S 0.00943 -0.03325 -0.03213 0.02052 0.00980 182 20 H 1S 0.05413 0.09487 -0.07540 0.03442 -0.00505 183 2S 0.01307 0.03354 -0.03542 0.01725 -0.00483 184 21 H 1S -0.05413 -0.09487 -0.07540 0.03442 0.00505 185 2S -0.01307 -0.03354 -0.03542 0.01725 0.00483 186 22 O 1S -0.05857 -0.00018 0.03334 -0.02168 -0.00221 187 2S 0.13159 0.00100 -0.07639 0.04984 0.00605 188 2PX 0.00165 0.06196 -0.00093 -0.00624 0.00209 189 2PY 0.02837 0.00194 -0.05387 0.03450 0.00836 190 2PZ -0.00396 -0.04530 0.00661 -0.00905 0.01230 191 3S 0.16454 -0.00203 -0.09726 0.06591 0.00013 192 3PX 0.00128 0.03280 -0.00177 -0.00490 0.00152 193 3PY 0.01701 0.00130 -0.03295 0.01994 0.00674 194 3PZ -0.00143 -0.02408 0.00342 -0.00504 0.00635 195 4XX -0.00119 0.00112 -0.00079 -0.00002 0.00069 196 4YY -0.00688 -0.00012 0.00739 -0.00417 -0.00064 197 4ZZ -0.00070 -0.00044 -0.00076 0.00053 0.00054 198 4XY 0.00016 -0.00659 -0.00012 0.00074 -0.00003 199 4XZ 0.00111 0.00008 -0.00036 0.00004 0.00036 200 4YZ 0.00079 0.00482 -0.00100 0.00111 -0.00099 201 23 O 1S 0.05857 0.00018 0.03334 -0.02168 0.00221 202 2S -0.13159 -0.00100 -0.07639 0.04984 -0.00605 203 2PX -0.00165 -0.06196 -0.00093 -0.00624 -0.00209 204 2PY 0.02837 0.00194 0.05387 -0.03450 0.00836 205 2PZ 0.00396 0.04530 0.00661 -0.00905 -0.01230 206 3S -0.16454 0.00203 -0.09726 0.06591 -0.00013 207 3PX -0.00128 -0.03280 -0.00177 -0.00490 -0.00152 208 3PY 0.01701 0.00130 0.03295 -0.01994 0.00674 209 3PZ 0.00143 0.02408 0.00342 -0.00504 -0.00635 210 4XX 0.00119 -0.00112 -0.00079 -0.00002 -0.00069 211 4YY 0.00688 0.00012 0.00739 -0.00417 0.00064 212 4ZZ 0.00070 0.00044 -0.00076 0.00053 -0.00054 213 4XY 0.00016 -0.00659 0.00012 -0.00074 -0.00003 214 4XZ -0.00111 -0.00008 -0.00036 0.00004 -0.00036 215 4YZ 0.00079 0.00482 0.00100 -0.00111 -0.00099 26 27 28 29 30 O O O O O Eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46923 1 1 C 1S 0.01540 0.00161 0.00540 -0.00399 -0.00211 2 2S -0.03194 -0.00136 -0.01047 0.01124 0.00551 3 2PX 0.04957 0.01942 0.05774 0.10936 0.01327 4 2PY 0.20979 0.01431 0.00242 -0.05501 0.00205 5 2PZ -0.03121 0.00946 0.02463 0.04459 0.02429 6 3S -0.04653 -0.01827 -0.02058 -0.00488 0.01008 7 3PX 0.01420 0.00168 0.01973 0.05169 0.00349 8 3PY 0.08114 -0.00224 -0.01569 -0.03079 -0.00071 9 3PZ -0.01498 0.00261 0.01152 0.02332 0.01778 10 4XX -0.00067 0.00075 -0.00026 -0.00132 0.00099 11 4YY 0.00097 0.00027 -0.00099 -0.00154 0.00057 12 4ZZ -0.00266 -0.00118 0.00154 0.00177 -0.00136 13 4XY 0.00387 0.00202 0.00472 0.00447 -0.00013 14 4XZ 0.00166 0.00031 0.00170 0.00133 -0.00159 15 4YZ 0.00029 0.00077 0.00302 0.00274 0.00034 16 2 C 1S 0.01477 -0.00215 0.00039 0.00230 -0.00674 17 2S -0.02924 0.00586 -0.00138 -0.00697 0.01675 18 2PX -0.13425 -0.00300 -0.00037 0.02087 0.01506 19 2PY 0.13765 0.02228 0.00398 -0.07838 -0.01067 20 2PZ 0.12417 0.02893 0.04407 0.05819 0.00250 21 3S -0.05236 0.00453 0.00174 -0.00108 0.00727 22 3PX -0.04100 0.00035 -0.00067 0.00884 0.01273 23 3PY 0.04201 0.00791 0.00362 -0.02246 -0.00937 24 3PZ 0.03958 0.01565 0.02107 0.02658 0.00252 25 4XX 0.00030 -0.00121 -0.00219 -0.00253 -0.00060 26 4YY -0.00216 0.00056 -0.00034 -0.00157 0.00006 27 4ZZ -0.00106 0.00053 0.00210 0.00436 0.00092 28 4XY -0.00331 0.00025 0.00090 0.00237 -0.00136 29 4XZ 0.00094 -0.00064 -0.00034 -0.00164 -0.00137 30 4YZ 0.00184 0.00060 0.00100 0.00072 0.00018 31 3 C 1S 0.01477 -0.00215 0.00039 0.00230 0.00674 32 2S -0.02924 0.00586 -0.00138 -0.00697 -0.01675 33 2PX -0.13425 -0.00300 -0.00037 0.02087 -0.01506 34 2PY -0.13765 -0.02228 -0.00398 0.07838 -0.01067 35 2PZ 0.12417 0.02893 0.04407 0.05819 -0.00250 36 3S -0.05236 0.00453 0.00174 -0.00108 -0.00727 37 3PX -0.04100 0.00035 -0.00067 0.00884 -0.01273 38 3PY -0.04201 -0.00791 -0.00362 0.02246 -0.00937 39 3PZ 0.03958 0.01565 0.02107 0.02658 -0.00252 40 4XX 0.00030 -0.00121 -0.00219 -0.00253 0.00060 41 4YY -0.00216 0.00056 -0.00034 -0.00157 -0.00006 42 4ZZ -0.00106 0.00053 0.00210 0.00436 -0.00092 43 4XY 0.00331 -0.00025 -0.00090 -0.00237 -0.00136 44 4XZ 0.00094 -0.00064 -0.00034 -0.00164 0.00137 45 4YZ -0.00184 -0.00060 -0.00100 -0.00072 0.00018 46 4 C 1S 0.01540 0.00161 0.00540 -0.00399 0.00211 47 2S -0.03194 -0.00136 -0.01047 0.01124 -0.00551 48 2PX 0.04957 0.01942 0.05774 0.10936 -0.01327 49 2PY -0.20979 -0.01431 -0.00242 0.05501 0.00205 50 2PZ -0.03121 0.00946 0.02463 0.04459 -0.02429 51 3S -0.04653 -0.01827 -0.02058 -0.00487 -0.01008 52 3PX 0.01420 0.00168 0.01973 0.05169 -0.00349 53 3PY -0.08114 0.00224 0.01569 0.03079 -0.00071 54 3PZ -0.01498 0.00261 0.01152 0.02332 -0.01778 55 4XX -0.00067 0.00076 -0.00026 -0.00132 -0.00099 56 4YY 0.00097 0.00027 -0.00099 -0.00154 -0.00057 57 4ZZ -0.00266 -0.00118 0.00154 0.00177 0.00136 58 4XY -0.00387 -0.00202 -0.00472 -0.00447 -0.00013 59 4XZ 0.00166 0.00031 0.00170 0.00133 0.00159 60 4YZ -0.00029 -0.00077 -0.00302 -0.00274 0.00034 61 5 H 1S -0.12117 -0.00828 -0.00809 0.02529 0.00327 62 2S -0.06485 -0.00030 -0.01573 0.01244 -0.00436 63 6 H 1S -0.12797 -0.01430 -0.01535 0.01114 0.01565 64 2S -0.07978 -0.00930 -0.00780 0.01067 0.00748 65 7 H 1S -0.12797 -0.01430 -0.01535 0.01114 -0.01565 66 2S -0.07978 -0.00930 -0.00780 0.01067 -0.00748 67 8 H 1S -0.12117 -0.00828 -0.00809 0.02529 -0.00327 68 2S -0.06485 -0.00030 -0.01573 0.01244 0.00436 69 9 C 1S 0.01110 0.00229 -0.00739 -0.00079 0.00000 70 2S -0.02235 -0.00533 0.01446 -0.00068 0.00000 71 2PX 0.10956 0.03713 0.14246 0.21922 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 -0.02049 73 2PZ -0.13997 -0.00221 0.08114 0.14622 0.00000 74 3S -0.03670 0.00307 0.03230 0.02134 0.00000 75 3PX 0.04822 0.02950 0.08028 0.10812 0.00000 76 3PY 0.00000 0.00000 0.00000 0.00000 -0.00352 77 3PZ -0.04707 -0.00432 0.03503 0.06184 0.00000 78 4XX -0.00475 -0.00007 0.00013 0.00024 0.00000 79 4YY -0.00414 0.00009 -0.00110 0.00021 0.00000 80 4ZZ 0.00545 0.00050 0.00239 0.00277 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00067 82 4XZ -0.00617 -0.00006 0.00447 0.00991 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00021 84 10 H 1S -0.08618 -0.01988 -0.05858 -0.09428 0.00000 85 2S -0.04916 -0.00631 -0.03608 -0.06936 0.00000 86 11 H 1S -0.03583 0.00903 0.09276 0.14745 0.00000 87 2S -0.02937 0.00296 0.05633 0.10182 0.00000 88 12 C 1S 0.00051 0.00753 0.00231 -0.01053 -0.04534 89 2S 0.00029 -0.01633 -0.00208 0.02301 0.08900 90 2PX -0.00482 -0.09714 -0.03632 -0.01678 0.09653 91 2PY -0.04224 0.10519 0.21006 -0.11471 0.05819 92 2PZ 0.00659 0.05567 -0.09216 -0.10815 -0.10981 93 3S -0.00831 -0.00787 0.00512 0.00842 0.16421 94 3PX -0.00156 -0.04028 -0.01184 -0.01500 0.01354 95 3PY -0.01559 0.04055 0.07393 -0.03903 0.01221 96 3PZ -0.00173 0.02243 -0.04761 -0.04880 -0.01564 97 4XX 0.00073 0.00258 0.00360 -0.00080 -0.00423 98 4YY 0.00011 -0.00146 -0.00166 0.00192 -0.00384 99 4ZZ -0.00135 -0.00133 0.00311 -0.00438 0.00314 100 4XY -0.00081 -0.00127 -0.00244 0.00459 0.00896 101 4XZ 0.00074 -0.00113 -0.00414 -0.00156 -0.00214 102 4YZ -0.00081 0.00088 0.00119 -0.00016 -0.01122 103 13 C 1S 0.00051 0.00753 0.00231 -0.01053 0.04534 104 2S 0.00029 -0.01633 -0.00208 0.02301 -0.08900 105 2PX -0.00482 -0.09714 -0.03632 -0.01678 -0.09653 106 2PY 0.04224 -0.10519 -0.21006 0.11471 0.05820 107 2PZ 0.00659 0.05567 -0.09216 -0.10815 0.10981 108 3S -0.00831 -0.00787 0.00512 0.00842 -0.16421 109 3PX -0.00156 -0.04028 -0.01184 -0.01500 -0.01354 110 3PY 0.01559 -0.04054 -0.07392 0.03903 0.01221 111 3PZ -0.00173 0.02243 -0.04761 -0.04880 0.01564 112 4XX 0.00073 0.00258 0.00360 -0.00080 0.00423 113 4YY 0.00011 -0.00146 -0.00166 0.00192 0.00384 114 4ZZ -0.00135 -0.00133 0.00311 -0.00438 -0.00314 115 4XY 0.00081 0.00127 0.00244 -0.00459 0.00896 116 4XZ 0.00074 -0.00113 -0.00414 -0.00156 0.00214 117 4YZ 0.00081 -0.00088 -0.00119 0.00016 -0.01122 118 14 C 1S -0.00549 0.01713 -0.03952 0.01639 -0.07169 119 2S 0.01361 -0.04178 0.09362 -0.03845 0.15895 120 2PX -0.03729 0.17129 0.05229 -0.13294 -0.00307 121 2PY 0.01061 0.04172 -0.07256 0.06016 -0.01181 122 2PZ 0.00815 -0.13052 -0.10352 -0.01015 0.01190 123 3S 0.00366 -0.04283 0.09262 -0.04836 0.19611 124 3PX -0.00868 0.03926 0.00179 -0.04080 0.00963 125 3PY 0.00974 0.02276 -0.01557 0.02549 0.06786 126 3PZ -0.00425 -0.03498 -0.03065 -0.02379 0.01158 127 4XX -0.00071 -0.00215 0.00011 -0.00108 -0.00988 128 4YY 0.00067 0.00666 -0.00967 0.00424 -0.00095 129 4ZZ -0.00068 -0.00064 0.00013 0.00128 -0.00917 130 4XY 0.00082 -0.00350 -0.00133 -0.00078 0.00021 131 4XZ -0.00026 0.00267 -0.00453 -0.00009 0.00422 132 4YZ -0.00006 0.00302 -0.00029 0.00013 0.00050 133 15 C 1S 0.00245 -0.00980 0.00025 -0.00346 0.04401 134 2S -0.00414 0.01988 0.00293 0.00859 -0.08791 135 2PX 0.01820 0.00008 -0.10813 0.06341 0.12580 136 2PY -0.02360 0.30539 -0.06563 0.03118 0.06238 137 2PZ -0.02658 0.00262 0.04591 -0.11266 -0.09246 138 3S -0.00195 -0.01027 -0.01017 0.01359 -0.15766 139 3PX 0.00500 -0.00007 -0.05259 0.02131 0.01754 140 3PY -0.00955 0.09702 -0.01373 0.00002 0.00952 141 3PZ -0.01069 0.00059 0.02032 -0.05178 -0.01623 142 4XX 0.00008 -0.00612 0.00138 -0.00458 -0.00031 143 4YY -0.00018 0.00273 -0.00008 0.00063 0.00283 144 4ZZ 0.00078 -0.00373 0.00329 0.00110 0.00155 145 4XY -0.00066 0.00191 -0.00077 -0.00098 -0.01353 146 4XZ -0.00084 0.00465 -0.00272 0.00003 0.00316 147 4YZ 0.00023 -0.00150 -0.00037 -0.00045 0.00997 148 16 C 1S 0.00245 -0.00980 0.00025 -0.00346 -0.04401 149 2S -0.00414 0.01988 0.00293 0.00859 0.08791 150 2PX 0.01820 0.00008 -0.10813 0.06341 -0.12580 151 2PY 0.02360 -0.30539 0.06563 -0.03118 0.06238 152 2PZ -0.02658 0.00262 0.04591 -0.11266 0.09246 153 3S -0.00195 -0.01027 -0.01017 0.01358 0.15766 154 3PX 0.00500 -0.00007 -0.05259 0.02131 -0.01754 155 3PY 0.00955 -0.09702 0.01373 -0.00002 0.00952 156 3PZ -0.01069 0.00059 0.02032 -0.05178 0.01623 157 4XX 0.00008 -0.00612 0.00138 -0.00458 0.00031 158 4YY -0.00018 0.00273 -0.00008 0.00063 -0.00283 159 4ZZ 0.00078 -0.00373 0.00329 0.00110 -0.00155 160 4XY 0.00066 -0.00191 0.00077 0.00098 -0.01353 161 4XZ -0.00084 0.00465 -0.00272 0.00003 -0.00316 162 4YZ -0.00023 0.00150 0.00037 0.00045 0.00997 163 17 C 1S -0.00549 0.01713 -0.03952 0.01639 0.07169 164 2S 0.01361 -0.04178 0.09362 -0.03845 -0.15895 165 2PX -0.03729 0.17129 0.05229 -0.13294 0.00307 166 2PY -0.01061 -0.04172 0.07256 -0.06015 -0.01181 167 2PZ 0.00815 -0.13052 -0.10352 -0.01015 -0.01190 168 3S 0.00366 -0.04283 0.09262 -0.04836 -0.19611 169 3PX -0.00868 0.03926 0.00179 -0.04080 -0.00963 170 3PY -0.00974 -0.02276 0.01557 -0.02549 0.06786 171 3PZ -0.00425 -0.03498 -0.03065 -0.02379 -0.01158 172 4XX -0.00071 -0.00215 0.00011 -0.00108 0.00988 173 4YY 0.00067 0.00666 -0.00967 0.00424 0.00095 174 4ZZ -0.00068 -0.00064 0.00013 0.00128 0.00917 175 4XY -0.00082 0.00350 0.00133 0.00078 0.00021 176 4XZ -0.00026 0.00267 -0.00453 -0.00009 -0.00422 177 4YZ 0.00006 -0.00302 0.00029 -0.00013 0.00050 178 18 H 1S -0.01637 -0.02465 0.08293 0.01891 0.13633 179 2S -0.01521 -0.01029 0.04700 0.01277 0.10245 180 19 H 1S -0.01637 -0.02465 0.08293 0.01891 -0.13634 181 2S -0.01521 -0.01029 0.04700 0.01277 -0.10245 182 20 H 1S -0.00854 -0.08034 0.07251 -0.06145 -0.14610 183 2S -0.00484 -0.05590 0.04090 -0.04093 -0.11325 184 21 H 1S -0.00854 -0.08034 0.07251 -0.06145 0.14610 185 2S -0.00484 -0.05590 0.04090 -0.04093 0.11325 186 22 O 1S -0.00047 -0.02758 0.04869 -0.02371 -0.03845 187 2S 0.00009 0.05705 -0.10275 0.04772 0.08542 188 2PX -0.02370 0.09846 0.04625 -0.08931 -0.01682 189 2PY -0.00558 0.08597 -0.15988 0.07608 0.16982 190 2PZ 0.00230 -0.09069 -0.05008 -0.02312 -0.01942 191 3S 0.00749 0.12131 -0.20066 0.10955 0.12808 192 3PX -0.01376 0.05965 0.02667 -0.04964 -0.00891 193 3PY -0.00590 0.03838 -0.07641 0.03303 0.09620 194 3PZ 0.00209 -0.05170 -0.02972 -0.00973 -0.01020 195 4XX -0.00112 -0.00044 0.00239 -0.00285 0.00169 196 4YY 0.00054 -0.00843 0.01461 -0.00657 -0.01366 197 4ZZ -0.00046 -0.00216 0.00062 -0.00138 0.00162 198 4XY 0.00192 -0.00806 -0.00427 0.00762 0.00162 199 4XZ -0.00023 0.00093 -0.00165 -0.00012 -0.00054 200 4YZ -0.00038 0.00771 0.00391 0.00177 0.00184 201 23 O 1S -0.00047 -0.02758 0.04869 -0.02371 0.03845 202 2S 0.00009 0.05705 -0.10275 0.04772 -0.08542 203 2PX -0.02370 0.09845 0.04626 -0.08931 0.01682 204 2PY 0.00558 -0.08597 0.15987 -0.07608 0.16982 205 2PZ 0.00230 -0.09069 -0.05008 -0.02312 0.01941 206 3S 0.00749 0.12131 -0.20066 0.10955 -0.12808 207 3PX -0.01376 0.05965 0.02667 -0.04964 0.00891 208 3PY 0.00590 -0.03838 0.07640 -0.03303 0.09620 209 3PZ 0.00209 -0.05170 -0.02972 -0.00973 0.01020 210 4XX -0.00112 -0.00044 0.00239 -0.00285 -0.00169 211 4YY 0.00054 -0.00844 0.01461 -0.00657 0.01366 212 4ZZ -0.00046 -0.00216 0.00062 -0.00138 -0.00162 213 4XY -0.00192 0.00806 0.00427 -0.00762 0.00162 214 4XZ -0.00023 0.00093 -0.00165 -0.00012 0.00054 215 4YZ 0.00038 -0.00771 -0.00391 -0.00177 0.00184 31 32 33 34 35 O O O O O Eigenvalues -- -0.44179 -0.41913 -0.40927 -0.40532 -0.39948 1 1 C 1S -0.00072 -0.00777 -0.02816 0.01594 0.00199 2 2S 0.00333 0.01612 0.06584 -0.03382 -0.00184 3 2PX 0.03353 0.02925 0.13593 0.06401 0.03568 4 2PY -0.01808 0.02763 0.21806 -0.06776 0.08006 5 2PZ 0.04605 -0.02790 -0.08077 -0.03468 -0.01790 6 3S -0.00953 0.03793 0.10648 -0.06615 -0.01883 7 3PX 0.01745 0.01626 0.06133 0.00921 0.02126 8 3PY -0.00778 0.00473 0.07980 -0.02831 0.01921 9 3PZ 0.02565 -0.00771 -0.02466 -0.00191 -0.01153 10 4XX 0.00117 -0.00041 0.00349 0.00322 0.00142 11 4YY 0.00052 -0.00183 -0.01374 -0.00302 -0.00518 12 4ZZ -0.00241 0.00052 0.00162 0.00357 0.00174 13 4XY 0.00177 0.00080 0.00194 0.00742 -0.00499 14 4XZ 0.00170 -0.00023 -0.00370 0.00298 0.00104 15 4YZ 0.00140 -0.00020 0.00273 -0.00366 0.00548 16 2 C 1S -0.00222 0.00273 -0.00960 -0.00959 0.01083 17 2S 0.00577 -0.00440 0.02804 0.02076 -0.02590 18 2PX 0.05100 -0.04847 -0.17799 -0.04652 0.01781 19 2PY -0.01150 0.01043 0.02253 0.09105 -0.20097 20 2PZ 0.03494 0.03605 0.15537 0.06305 -0.02323 21 3S 0.00526 -0.01318 0.00324 0.04659 -0.03005 22 3PX 0.02587 -0.01315 -0.03337 -0.01971 0.00484 23 3PY -0.00372 0.00571 0.01239 0.02238 -0.06555 24 3PZ 0.02158 0.00296 0.02965 0.02887 -0.00565 25 4XX -0.00223 0.00087 0.00298 -0.00410 0.00549 26 4YY 0.00065 -0.00174 -0.00995 0.00229 -0.00561 27 4ZZ 0.00226 -0.00030 0.00047 -0.00252 0.00506 28 4XY 0.00133 0.00343 0.01059 0.00299 -0.00309 29 4XZ -0.00190 0.00067 -0.00117 0.00424 -0.00524 30 4YZ 0.00131 -0.00269 -0.00969 -0.00193 0.00306 31 3 C 1S -0.00222 -0.00273 0.00960 -0.00959 0.01083 32 2S 0.00577 0.00440 -0.02803 0.02076 -0.02590 33 2PX 0.05100 0.04847 0.17799 -0.04653 0.01782 34 2PY 0.01150 0.01042 0.02252 -0.09105 0.20097 35 2PZ 0.03494 -0.03604 -0.15537 0.06306 -0.02323 36 3S 0.00526 0.01318 -0.00323 0.04659 -0.03005 37 3PX 0.02587 0.01315 0.03337 -0.01971 0.00484 38 3PY 0.00372 0.00571 0.01239 -0.02238 0.06555 39 3PZ 0.02158 -0.00296 -0.02965 0.02887 -0.00565 40 4XX -0.00223 -0.00087 -0.00298 -0.00410 0.00549 41 4YY 0.00065 0.00174 0.00995 0.00229 -0.00561 42 4ZZ 0.00226 0.00030 -0.00047 -0.00252 0.00506 43 4XY -0.00133 0.00343 0.01059 -0.00299 0.00309 44 4XZ -0.00190 -0.00067 0.00117 0.00424 -0.00524 45 4YZ -0.00131 -0.00269 -0.00969 0.00193 -0.00306 46 4 C 1S -0.00072 0.00777 0.02816 0.01594 0.00199 47 2S 0.00333 -0.01612 -0.06584 -0.03382 -0.00184 48 2PX 0.03353 -0.02925 -0.13593 0.06402 0.03568 49 2PY 0.01808 0.02763 0.21807 0.06775 -0.08006 50 2PZ 0.04605 0.02791 0.08077 -0.03468 -0.01790 51 3S -0.00953 -0.03793 -0.10649 -0.06614 -0.01883 52 3PX 0.01745 -0.01626 -0.06133 0.00921 0.02126 53 3PY 0.00778 0.00473 0.07980 0.02830 -0.01921 54 3PZ 0.02565 0.00771 0.02466 -0.00191 -0.01153 55 4XX 0.00117 0.00041 -0.00349 0.00322 0.00142 56 4YY 0.00052 0.00184 0.01374 -0.00302 -0.00518 57 4ZZ -0.00241 -0.00052 -0.00162 0.00357 0.00174 58 4XY -0.00177 0.00080 0.00194 -0.00742 0.00499 59 4XZ 0.00170 0.00023 0.00370 0.00298 0.00104 60 4YZ -0.00140 -0.00020 0.00273 0.00366 -0.00548 61 5 H 1S 0.01390 -0.01586 -0.13248 0.01572 -0.06304 62 2S 0.01402 -0.02909 -0.12914 0.02990 -0.05794 63 6 H 1S 0.01257 -0.03987 -0.12748 -0.06747 0.08309 64 2S 0.00861 -0.03552 -0.12829 -0.06589 0.08139 65 7 H 1S 0.01257 0.03987 0.12748 -0.06747 0.08309 66 2S 0.00861 0.03552 0.12829 -0.06589 0.08139 67 8 H 1S 0.01390 0.01586 0.13249 0.01571 -0.06304 68 2S 0.01402 0.02909 0.12914 0.02989 -0.05794 69 9 C 1S 0.00825 0.00000 0.00000 0.02008 -0.00871 70 2S -0.02020 0.00000 0.00000 -0.04641 0.01563 71 2PX 0.11685 0.00000 0.00000 0.07935 0.11687 72 2PY 0.00000 0.00510 -0.07117 0.00000 0.00000 73 2PZ 0.01890 0.00000 0.00000 0.20671 -0.04147 74 3S -0.01545 0.00000 0.00000 -0.07362 0.05355 75 3PX 0.05162 0.00000 0.00000 0.06759 0.04861 76 3PY 0.00000 0.01206 -0.01062 0.00000 0.00000 77 3PZ -0.00461 0.00000 0.00000 0.08121 -0.04052 78 4XX -0.00236 0.00000 0.00000 0.00622 -0.00487 79 4YY 0.00150 0.00000 0.00000 -0.00529 -0.00183 80 4ZZ 0.00025 0.00000 0.00000 0.00396 0.00368 81 4XY 0.00000 -0.00164 -0.00808 0.00000 0.00000 82 4XZ 0.00532 0.00000 0.00000 0.00833 0.00465 83 4YZ 0.00000 0.00075 0.00763 0.00000 0.00000 84 10 H 1S -0.07183 0.00000 0.00000 -0.00808 -0.06917 85 2S -0.05099 0.00000 0.00000 0.04040 -0.06093 86 11 H 1S 0.04581 0.00000 0.00000 0.12191 0.03556 87 2S 0.04286 0.00000 0.00000 0.10898 0.03570 88 12 C 1S -0.02008 -0.00275 0.00527 -0.00689 -0.00740 89 2S 0.04316 0.00561 -0.00646 0.01490 0.01966 90 2PX -0.14855 -0.08178 0.00936 0.05967 0.04894 91 2PY -0.14497 -0.01266 0.00451 0.03251 -0.15250 92 2PZ 0.15830 0.09165 0.01676 0.01231 0.05295 93 3S 0.08719 0.05791 -0.05285 0.01803 0.00448 94 3PX -0.07047 -0.05029 -0.00352 0.03399 0.04419 95 3PY -0.02431 -0.03923 0.03348 0.01510 -0.04129 96 3PZ 0.06548 0.05800 0.00856 0.00619 0.01196 97 4XX -0.00264 0.00306 -0.00283 -0.00477 -0.00534 98 4YY 0.00406 -0.00436 0.00280 0.00051 0.00628 99 4ZZ -0.00892 -0.00059 0.00123 0.00383 -0.00305 100 4XY -0.00050 -0.00326 0.00058 0.00068 -0.00268 101 4XZ 0.00215 -0.00235 0.00018 -0.00544 0.00369 102 4YZ 0.00249 0.00616 0.00315 0.00091 0.00085 103 13 C 1S -0.02008 0.00275 -0.00527 -0.00689 -0.00740 104 2S 0.04316 -0.00561 0.00646 0.01490 0.01966 105 2PX -0.14855 0.08178 -0.00935 0.05967 0.04894 106 2PY 0.14497 -0.01266 0.00451 -0.03251 0.15250 107 2PZ 0.15830 -0.09165 -0.01676 0.01231 0.05295 108 3S 0.08719 -0.05791 0.05285 0.01802 0.00447 109 3PX -0.07047 0.05029 0.00352 0.03399 0.04419 110 3PY 0.02431 -0.03923 0.03348 -0.01510 0.04129 111 3PZ 0.06548 -0.05800 -0.00856 0.00619 0.01196 112 4XX -0.00264 -0.00306 0.00283 -0.00477 -0.00534 113 4YY 0.00406 0.00436 -0.00280 0.00051 0.00628 114 4ZZ -0.00892 0.00059 -0.00123 0.00383 -0.00305 115 4XY 0.00050 -0.00326 0.00058 -0.00068 0.00268 116 4XZ 0.00215 0.00235 -0.00018 -0.00544 0.00369 117 4YZ -0.00249 0.00616 0.00315 -0.00091 -0.00085 118 14 C 1S 0.00451 -0.00231 -0.00366 0.00069 -0.00773 119 2S -0.01058 0.00860 0.00955 -0.00101 0.02084 120 2PX 0.09790 -0.04582 -0.07961 0.10650 0.02514 121 2PY 0.04349 -0.25687 0.07255 0.00180 -0.17247 122 2PZ -0.03755 -0.04663 -0.03930 0.17920 0.04293 123 3S -0.01545 -0.01517 0.00914 -0.00564 -0.00086 124 3PX -0.00932 -0.01089 -0.03185 0.06260 0.02155 125 3PY 0.00300 0.00137 0.01293 -0.00263 0.02263 126 3PZ 0.01848 -0.01743 -0.03537 0.09219 0.02849 127 4XX 0.00156 -0.00586 0.00126 -0.00172 -0.00899 128 4YY 0.00055 0.00081 -0.00092 0.00048 0.01025 129 4ZZ -0.00039 -0.00445 0.00138 0.00264 -0.00732 130 4XY 0.00833 0.00159 0.00335 -0.00540 0.00041 131 4XZ 0.00008 0.00090 -0.00034 -0.00299 0.00416 132 4YZ -0.00645 0.00129 0.00321 -0.00497 -0.00075 133 15 C 1S 0.01370 0.00379 0.00356 -0.00306 -0.00391 134 2S -0.02999 -0.00696 -0.00639 0.00771 0.01377 135 2PX -0.14416 -0.09382 0.04523 0.11235 0.01895 136 2PY -0.12931 -0.01107 0.00793 -0.00439 0.15715 137 2PZ 0.11728 0.05661 -0.05637 0.09554 0.03198 138 3S -0.06543 -0.06952 -0.00544 0.01212 -0.00981 139 3PX -0.05521 -0.06298 0.02158 0.05837 -0.01140 140 3PY -0.01353 -0.04482 -0.00226 -0.00635 0.03732 141 3PZ 0.04524 0.03622 -0.03088 0.05388 0.03255 142 4XX 0.00679 -0.00301 -0.00123 0.00413 -0.00380 143 4YY -0.00360 0.00534 -0.00096 0.00065 0.00574 144 4ZZ 0.00285 -0.00005 0.00166 -0.00489 -0.00400 145 4XY 0.00253 0.00572 -0.00340 0.00100 -0.00165 146 4XZ -0.00519 0.00145 -0.00022 0.00176 0.00491 147 4YZ -0.00221 -0.00278 0.00499 0.00216 0.00214 148 16 C 1S 0.01370 -0.00379 -0.00356 -0.00306 -0.00391 149 2S -0.02999 0.00696 0.00639 0.00771 0.01377 150 2PX -0.14415 0.09382 -0.04522 0.11235 0.01895 151 2PY 0.12931 -0.01106 0.00793 0.00439 -0.15715 152 2PZ 0.11728 -0.05660 0.05637 0.09554 0.03198 153 3S -0.06543 0.06952 0.00544 0.01212 -0.00981 154 3PX -0.05521 0.06298 -0.02157 0.05837 -0.01140 155 3PY 0.01354 -0.04482 -0.00226 0.00635 -0.03732 156 3PZ 0.04524 -0.03622 0.03089 0.05388 0.03255 157 4XX 0.00679 0.00301 0.00123 0.00413 -0.00380 158 4YY -0.00360 -0.00534 0.00096 0.00065 0.00574 159 4ZZ 0.00285 0.00005 -0.00166 -0.00489 -0.00400 160 4XY -0.00253 0.00572 -0.00340 -0.00100 0.00165 161 4XZ -0.00519 -0.00145 0.00022 0.00176 0.00491 162 4YZ 0.00221 -0.00278 0.00499 -0.00216 -0.00214 163 17 C 1S 0.00450 0.00231 0.00366 0.00069 -0.00773 164 2S -0.01058 -0.00860 -0.00955 -0.00101 0.02084 165 2PX 0.09790 0.04581 0.07961 0.10649 0.02515 166 2PY -0.04349 -0.25687 0.07255 -0.00180 0.17247 167 2PZ -0.03755 0.04663 0.03931 0.17920 0.04293 168 3S -0.01545 0.01517 -0.00914 -0.00564 -0.00086 169 3PX -0.00932 0.01089 0.03186 0.06259 0.02154 170 3PY -0.00300 0.00137 0.01293 0.00263 -0.02263 171 3PZ 0.01848 0.01743 0.03538 0.09219 0.02849 172 4XX 0.00156 0.00586 -0.00126 -0.00172 -0.00899 173 4YY 0.00055 -0.00081 0.00092 0.00048 0.01025 174 4ZZ -0.00039 0.00445 -0.00138 0.00264 -0.00732 175 4XY -0.00833 0.00159 0.00335 0.00540 -0.00041 176 4XZ 0.00008 -0.00090 0.00034 -0.00299 0.00416 177 4YZ 0.00645 0.00129 0.00321 0.00497 0.00075 178 18 H 1S -0.13257 -0.06554 -0.00852 0.02970 -0.05390 179 2S -0.10975 -0.03442 -0.00541 0.02059 -0.06105 180 19 H 1S -0.13257 0.06554 0.00852 0.02969 -0.05390 181 2S -0.10975 0.03442 0.00541 0.02059 -0.06105 182 20 H 1S 0.12355 0.05757 -0.04642 -0.01305 -0.05184 183 2S 0.11015 0.02656 -0.03465 -0.01004 -0.06607 184 21 H 1S 0.12355 -0.05757 0.04642 -0.01305 -0.05184 185 2S 0.11014 -0.02656 0.03464 -0.01004 -0.06607 186 22 O 1S -0.01271 -0.05104 0.01170 -0.00398 0.02694 187 2S 0.02583 0.10843 -0.02446 0.00530 -0.05639 188 2PX 0.02247 -0.00452 0.09525 0.11804 0.05882 189 2PY 0.06720 0.32219 -0.05463 0.05363 -0.22688 190 2PZ -0.00217 0.00685 0.06148 0.17439 0.07143 191 3S 0.05514 0.19917 -0.04968 0.02769 -0.09549 192 3PX 0.01611 -0.00121 0.05868 0.07221 0.03502 193 3PY 0.03418 0.17923 -0.02722 0.02737 -0.13312 194 3PZ -0.00251 0.00510 0.03732 0.10559 0.04276 195 4XX 0.00019 0.00118 0.00156 0.00024 -0.00165 196 4YY -0.00532 -0.02122 0.00264 -0.00552 0.01291 197 4ZZ -0.00044 0.00164 0.00057 0.00093 -0.00124 198 4XY -0.00316 0.00077 -0.00643 -0.00797 -0.00445 199 4XZ 0.00030 0.00109 0.00092 0.00166 0.00106 200 4YZ 0.00138 -0.00006 -0.00414 -0.01233 -0.00517 201 23 O 1S -0.01271 0.05104 -0.01170 -0.00398 0.02694 202 2S 0.02583 -0.10843 0.02446 0.00530 -0.05639 203 2PX 0.02246 0.00453 -0.09524 0.11804 0.05882 204 2PY -0.06721 0.32219 -0.05463 -0.05363 0.22688 205 2PZ -0.00217 -0.00685 -0.06147 0.17439 0.07143 206 3S 0.05514 -0.19917 0.04968 0.02769 -0.09549 207 3PX 0.01611 0.00121 -0.05868 0.07221 0.03502 208 3PY -0.03418 0.17923 -0.02722 -0.02737 0.13312 209 3PZ -0.00251 -0.00510 -0.03731 0.10559 0.04276 210 4XX 0.00019 -0.00118 -0.00156 0.00024 -0.00165 211 4YY -0.00532 0.02122 -0.00264 -0.00552 0.01291 212 4ZZ -0.00044 -0.00164 -0.00057 0.00093 -0.00124 213 4XY 0.00316 0.00077 -0.00643 0.00797 0.00445 214 4XZ 0.00030 -0.00109 -0.00092 0.00166 0.00106 215 4YZ -0.00138 -0.00006 -0.00414 0.01233 0.00517 36 37 38 39 40 O O O O O Eigenvalues -- -0.39484 -0.38956 -0.38867 -0.38103 -0.37270 1 1 C 1S -0.00922 0.00480 0.00447 -0.00273 -0.00257 2 2S 0.01085 -0.01297 -0.01128 0.00870 -0.00201 3 2PX -0.13819 0.08952 -0.04098 -0.01878 0.11595 4 2PY -0.08441 -0.11473 -0.12581 0.09484 -0.19341 5 2PZ 0.16833 -0.10290 0.05822 0.11243 -0.16184 6 3S 0.07768 -0.00605 -0.00940 0.00153 0.05800 7 3PX -0.04449 0.03129 0.01128 -0.00326 0.05941 8 3PY -0.00246 -0.02230 -0.05117 0.03035 -0.04332 9 3PZ 0.07269 -0.02622 0.01870 0.05727 -0.07595 10 4XX -0.00754 0.00399 -0.00434 0.00022 0.00009 11 4YY 0.01359 -0.00385 0.00862 -0.00358 0.00830 12 4ZZ -0.00509 0.00079 -0.00091 0.00144 -0.00777 13 4XY 0.00427 0.00477 -0.00041 -0.00241 0.00544 14 4XZ 0.00578 -0.00562 0.00080 -0.00181 0.00015 15 4YZ -0.00243 -0.00949 -0.00229 0.00514 -0.01007 16 2 C 1S 0.00198 -0.02063 0.01115 -0.00863 0.00894 17 2S -0.00108 0.04962 -0.02495 0.01692 -0.00753 18 2PX 0.13350 -0.12194 0.07233 0.06104 -0.10744 19 2PY 0.27877 0.08479 -0.00283 -0.00607 -0.00240 20 2PZ -0.03768 0.08813 -0.05294 -0.01552 0.08070 21 3S -0.02254 0.06026 -0.04830 0.04389 -0.12356 22 3PX 0.06919 -0.04369 0.02320 0.02425 -0.00232 23 3PY 0.10142 0.01392 -0.00406 0.01216 -0.05005 24 3PZ -0.02060 0.02912 -0.02345 0.00397 0.00310 25 4XX -0.00745 -0.00380 -0.00194 -0.00109 -0.00027 26 4YY 0.00765 0.00372 0.00504 -0.00115 0.00240 27 4ZZ -0.00143 -0.00665 0.00025 0.00278 -0.00285 28 4XY 0.00315 0.00381 -0.00363 -0.00617 0.01133 29 4XZ 0.00515 0.00528 0.00148 -0.00323 0.00403 30 4YZ -0.00150 -0.00457 0.00262 0.00285 -0.00900 31 3 C 1S 0.00198 -0.02063 -0.01115 0.00863 -0.00894 32 2S -0.00108 0.04962 0.02494 -0.01692 0.00753 33 2PX 0.13349 -0.12194 -0.07233 -0.06104 0.10744 34 2PY -0.27877 -0.08479 -0.00282 -0.00607 -0.00240 35 2PZ -0.03768 0.08813 0.05294 0.01552 -0.08070 36 3S -0.02254 0.06027 0.04830 -0.04389 0.12356 37 3PX 0.06918 -0.04369 -0.02321 -0.02425 0.00232 38 3PY -0.10142 -0.01393 -0.00406 0.01216 -0.05005 39 3PZ -0.02060 0.02912 0.02345 -0.00397 -0.00310 40 4XX -0.00745 -0.00380 0.00194 0.00109 0.00027 41 4YY 0.00765 0.00372 -0.00504 0.00115 -0.00240 42 4ZZ -0.00143 -0.00665 -0.00025 -0.00278 0.00285 43 4XY -0.00315 -0.00381 -0.00363 -0.00617 0.01133 44 4XZ 0.00515 0.00528 -0.00148 0.00323 -0.00403 45 4YZ 0.00150 0.00457 0.00262 0.00285 -0.00900 46 4 C 1S -0.00922 0.00480 -0.00447 0.00273 0.00257 47 2S 0.01085 -0.01297 0.01128 -0.00870 0.00201 48 2PX -0.13819 0.08952 0.04098 0.01878 -0.11595 49 2PY 0.08440 0.11473 -0.12582 0.09484 -0.19341 50 2PZ 0.16833 -0.10290 -0.05822 -0.11243 0.16184 51 3S 0.07769 -0.00605 0.00940 -0.00153 -0.05800 52 3PX -0.04449 0.03129 -0.01128 0.00326 -0.05941 53 3PY 0.00246 0.02229 -0.05118 0.03035 -0.04332 54 3PZ 0.07269 -0.02622 -0.01870 -0.05727 0.07595 55 4XX -0.00754 0.00399 0.00434 -0.00022 -0.00009 56 4YY 0.01359 -0.00385 -0.00862 0.00358 -0.00830 57 4ZZ -0.00509 0.00079 0.00091 -0.00144 0.00777 58 4XY -0.00427 -0.00477 -0.00041 -0.00241 0.00544 59 4XZ 0.00578 -0.00562 -0.00080 0.00181 -0.00015 60 4YZ 0.00243 0.00949 -0.00229 0.00514 -0.01007 61 5 H 1S 0.11136 0.03821 0.08531 -0.04240 0.09675 62 2S 0.09828 0.03384 0.05941 -0.04725 0.09825 63 6 H 1S -0.04767 -0.09442 0.03839 0.04821 -0.09578 64 2S -0.04905 -0.10184 0.04083 0.04562 -0.11135 65 7 H 1S -0.04767 -0.09442 -0.03838 -0.04821 0.09578 66 2S -0.04906 -0.10184 -0.04082 -0.04562 0.11135 67 8 H 1S 0.11136 0.03820 -0.08532 0.04241 -0.09675 68 2S 0.09828 0.03384 -0.05941 0.04725 -0.09825 69 9 C 1S 0.01190 0.01588 0.00000 0.00000 0.00000 70 2S -0.01829 -0.03813 0.00000 0.00000 0.00000 71 2PX 0.09807 -0.21480 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.02922 -0.17799 0.32842 73 2PZ -0.09381 0.23172 0.00000 0.00000 0.00000 74 3S -0.08343 -0.08306 0.00000 0.00000 0.00000 75 3PX 0.03162 -0.10664 0.00000 0.00000 0.00000 76 3PY 0.00000 0.00000 0.00135 -0.08318 0.17473 77 3PZ -0.02242 0.11669 0.00000 0.00000 0.00000 78 4XX -0.00943 0.01601 0.00000 0.00000 0.00000 79 4YY 0.01295 -0.00956 0.00000 0.00000 0.00000 80 4ZZ -0.00534 -0.00040 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00158 -0.00476 0.00450 82 4XZ 0.00533 -0.00514 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 -0.00397 0.00513 -0.01171 84 10 H 1S -0.10255 0.16998 0.00000 0.00000 0.00000 85 2S -0.09309 0.14411 0.00000 0.00000 0.00000 86 11 H 1S -0.02220 0.02047 0.00000 0.00000 0.00000 87 2S -0.01466 0.02541 0.00000 0.00000 0.00000 88 12 C 1S -0.00471 -0.00377 0.00346 -0.01253 -0.01469 89 2S 0.01403 0.01247 -0.00363 0.02424 0.02265 90 2PX 0.02733 -0.04079 -0.01430 0.12012 0.07599 91 2PY -0.09190 -0.14865 0.00195 0.00840 0.01159 92 2PZ -0.01497 0.01851 0.09999 -0.07648 -0.06373 93 3S -0.00575 0.00155 -0.03817 0.03492 0.09522 94 3PX 0.01689 -0.00705 0.01021 0.07780 0.02414 95 3PY -0.02959 -0.04095 0.03067 -0.02277 -0.03365 96 3PZ -0.01885 -0.00913 0.03193 -0.03945 -0.00953 97 4XX -0.00409 -0.00077 -0.00279 -0.00274 -0.00326 98 4YY 0.00393 0.00502 0.00166 -0.00192 -0.00193 99 4ZZ -0.00070 -0.00672 0.00108 0.00556 0.00443 100 4XY -0.00009 -0.00007 -0.00218 0.01084 0.00553 101 4XZ 0.00225 0.00376 0.00024 -0.00274 -0.00135 102 4YZ 0.00094 0.00131 0.00930 -0.00619 -0.00598 103 13 C 1S -0.00471 -0.00377 -0.00346 0.01253 0.01469 104 2S 0.01403 0.01247 0.00363 -0.02424 -0.02265 105 2PX 0.02733 -0.04078 0.01430 -0.12012 -0.07599 106 2PY 0.09190 0.14865 0.00194 0.00840 0.01159 107 2PZ -0.01497 0.01851 -0.09999 0.07648 0.06373 108 3S -0.00575 0.00155 0.03817 -0.03492 -0.09522 109 3PX 0.01689 -0.00705 -0.01021 -0.07780 -0.02414 110 3PY 0.02959 0.04096 0.03067 -0.02277 -0.03366 111 3PZ -0.01886 -0.00913 -0.03193 0.03945 0.00953 112 4XX -0.00409 -0.00077 0.00279 0.00274 0.00326 113 4YY 0.00393 0.00502 -0.00166 0.00192 0.00193 114 4ZZ -0.00070 -0.00672 -0.00108 -0.00556 -0.00443 115 4XY 0.00009 0.00007 -0.00218 0.01084 0.00553 116 4XZ 0.00225 0.00376 -0.00024 0.00274 0.00135 117 4YZ -0.00094 -0.00131 0.00930 -0.00619 -0.00598 118 14 C 1S -0.00033 -0.00190 -0.00078 -0.00108 -0.00619 119 2S -0.00074 0.00272 0.00298 0.00454 0.01427 120 2PX -0.03019 -0.03656 -0.20802 0.08523 0.05426 121 2PY -0.08854 -0.09282 0.04280 0.01097 0.02812 122 2PZ 0.00809 -0.07712 -0.11706 -0.19902 -0.08968 123 3S 0.00371 0.00327 -0.00630 -0.01497 0.03036 124 3PX 0.00480 -0.02266 -0.08773 -0.00263 0.01131 125 3PY 0.00424 0.02458 -0.00403 -0.01335 0.01633 126 3PZ 0.00363 -0.03111 -0.08195 -0.07488 -0.03846 127 4XX -0.00377 -0.00567 0.00153 0.00011 0.00032 128 4YY 0.00496 0.00598 -0.00262 -0.00121 0.00019 129 4ZZ -0.00436 -0.00460 0.00165 0.00046 -0.00043 130 4XY -0.00044 0.00478 0.00682 0.00170 -0.00084 131 4XZ 0.00270 0.00437 0.00102 0.00142 0.00037 132 4YZ -0.00059 0.00159 0.00866 0.00769 0.00361 133 15 C 1S -0.00412 0.00430 0.00516 -0.01327 -0.00737 134 2S 0.01208 -0.00970 -0.00958 0.02126 0.01426 135 2PX -0.00177 -0.05222 0.04313 -0.12776 -0.04880 136 2PY 0.08357 0.07065 0.00621 -0.00852 -0.00378 137 2PZ -0.02459 -0.00119 -0.09494 0.06777 0.02432 138 3S 0.00461 -0.02647 -0.00819 0.10256 0.03977 139 3PX -0.01427 -0.03551 0.01563 -0.05067 -0.02693 140 3PY 0.01751 0.02161 -0.00940 0.06122 0.02495 141 3PZ -0.00825 0.00744 -0.05745 0.02083 0.00935 142 4XX -0.00381 -0.00325 -0.00464 0.00073 0.00085 143 4YY 0.00341 0.00163 -0.00009 -0.00227 -0.00165 144 4ZZ -0.00128 0.00080 0.00381 0.00235 0.00134 145 4XY -0.00171 -0.00036 -0.00331 0.01274 0.00516 146 4XZ 0.00227 0.00225 -0.00005 -0.00381 -0.00217 147 4YZ 0.00041 0.00065 0.00918 -0.00645 -0.00269 148 16 C 1S -0.00412 0.00430 -0.00516 0.01327 0.00737 149 2S 0.01208 -0.00970 0.00958 -0.02126 -0.01426 150 2PX -0.00177 -0.05222 -0.04313 0.12776 0.04880 151 2PY -0.08357 -0.07065 0.00622 -0.00852 -0.00378 152 2PZ -0.02459 -0.00119 0.09494 -0.06777 -0.02432 153 3S 0.00461 -0.02647 0.00819 -0.10256 -0.03977 154 3PX -0.01427 -0.03552 -0.01563 0.05067 0.02693 155 3PY -0.01751 -0.02161 -0.00940 0.06122 0.02495 156 3PZ -0.00825 0.00744 0.05745 -0.02083 -0.00935 157 4XX -0.00381 -0.00325 0.00464 -0.00073 -0.00085 158 4YY 0.00341 0.00163 0.00009 0.00227 0.00165 159 4ZZ -0.00128 0.00080 -0.00381 -0.00235 -0.00134 160 4XY 0.00171 0.00036 -0.00331 0.01274 0.00516 161 4XZ 0.00227 0.00225 0.00005 0.00381 0.00217 162 4YZ -0.00041 -0.00065 0.00918 -0.00645 -0.00269 163 17 C 1S -0.00033 -0.00190 0.00078 0.00108 0.00619 164 2S -0.00074 0.00272 -0.00298 -0.00454 -0.01427 165 2PX -0.03018 -0.03654 0.20802 -0.08523 -0.05426 166 2PY 0.08854 0.09282 0.04279 0.01097 0.02812 167 2PZ 0.00810 -0.07711 0.11707 0.19902 0.08968 168 3S 0.00371 0.00327 0.00630 0.01497 -0.03036 169 3PX 0.00481 -0.02265 0.08773 0.00263 -0.01131 170 3PY -0.00424 -0.02458 -0.00403 -0.01335 0.01633 171 3PZ 0.00363 -0.03111 0.08195 0.07488 0.03846 172 4XX -0.00377 -0.00567 -0.00153 -0.00011 -0.00032 173 4YY 0.00496 0.00598 0.00262 0.00121 -0.00019 174 4ZZ -0.00436 -0.00461 -0.00165 -0.00046 0.00043 175 4XY 0.00044 -0.00478 0.00682 0.00170 -0.00084 176 4XZ 0.00270 0.00437 -0.00102 -0.00142 -0.00037 177 4YZ 0.00059 -0.00159 0.00866 0.00769 0.00361 178 18 H 1S -0.01359 -0.06534 -0.05998 0.09678 0.07603 179 2S -0.02452 -0.07018 -0.06330 0.07598 0.06864 180 19 H 1S -0.01359 -0.06534 0.05999 -0.09679 -0.07603 181 2S -0.02451 -0.07018 0.06330 -0.07599 -0.06864 182 20 H 1S -0.03386 -0.00982 -0.06325 0.10724 0.04443 183 2S -0.04077 -0.01748 -0.05318 0.09861 0.03888 184 21 H 1S -0.03386 -0.00982 0.06325 -0.10724 -0.04443 185 2S -0.04077 -0.01748 0.05319 -0.09861 -0.03887 186 22 O 1S 0.01432 0.01440 0.00137 0.00037 0.00101 187 2S -0.02885 -0.03000 -0.00486 -0.00248 -0.00066 188 2PX 0.00286 -0.03261 0.21610 -0.05119 -0.05205 189 2PY -0.11639 -0.14642 0.01177 0.00880 -0.01361 190 2PZ 0.02497 -0.05881 0.16060 0.21694 0.10457 191 3S -0.05862 -0.04985 0.00523 0.00744 -0.00972 192 3PX 0.00040 -0.02003 0.13496 -0.03054 -0.03307 193 3PY -0.06475 -0.08640 0.00504 0.00476 -0.00725 194 3PZ 0.01581 -0.03622 0.10065 0.13737 0.06466 195 4XX -0.00024 -0.00157 0.00131 -0.00098 -0.00061 196 4YY 0.00683 0.00873 -0.00308 -0.00184 0.00119 197 4ZZ -0.00022 -0.00171 0.00049 0.00146 0.00127 198 4XY 0.00031 0.00180 -0.01497 0.00381 0.00313 199 4XZ 0.00060 -0.00008 0.00200 0.00117 0.00021 200 4YZ -0.00168 0.00416 -0.01069 -0.01464 -0.00681 201 23 O 1S 0.01432 0.01440 -0.00137 -0.00037 -0.00101 202 2S -0.02885 -0.03000 0.00486 0.00248 0.00066 203 2PX 0.00285 -0.03262 -0.21609 0.05119 0.05205 204 2PY 0.11639 0.14642 0.01176 0.00880 -0.01361 205 2PZ 0.02496 -0.05882 -0.16060 -0.21694 -0.10457 206 3S -0.05862 -0.04986 -0.00523 -0.00744 0.00972 207 3PX 0.00039 -0.02004 -0.13496 0.03054 0.03307 208 3PY 0.06475 0.08640 0.00503 0.00476 -0.00725 209 3PZ 0.01581 -0.03623 -0.10065 -0.13737 -0.06466 210 4XX -0.00024 -0.00157 -0.00131 0.00098 0.00061 211 4YY 0.00683 0.00873 0.00307 0.00184 -0.00119 212 4ZZ -0.00022 -0.00171 -0.00049 -0.00146 -0.00127 213 4XY -0.00031 -0.00180 -0.01497 0.00381 0.00313 214 4XZ 0.00060 -0.00008 -0.00200 -0.00117 -0.00021 215 4YZ 0.00168 -0.00416 -0.01069 -0.01464 -0.00681 41 42 43 44 45 O O O O O Eigenvalues -- -0.33445 -0.28741 -0.25599 -0.25577 -0.25008 1 1 C 1S -0.00224 -0.00310 -0.01208 -0.00010 0.01469 2 2S 0.01421 0.00728 0.02581 0.00117 -0.03278 3 2PX 0.10494 -0.02257 -0.16669 0.00668 0.01495 4 2PY 0.02170 -0.00794 0.03034 0.00402 -0.01722 5 2PZ 0.10358 0.00533 -0.14453 0.01387 -0.01562 6 3S -0.04558 0.01530 0.05106 -0.00920 -0.07307 7 3PX 0.05190 0.00341 -0.14302 0.00770 0.01331 8 3PY -0.02446 -0.01533 -0.01446 0.01608 -0.04168 9 3PZ 0.06368 0.00979 -0.08556 -0.00228 -0.00975 10 4XX 0.00929 -0.00292 -0.00178 -0.00191 0.01477 11 4YY -0.00009 0.00170 -0.00177 0.00109 -0.00687 12 4ZZ -0.01133 0.00192 0.00317 0.00013 -0.00263 13 4XY -0.00003 0.00053 -0.00161 -0.00035 0.00042 14 4XZ -0.00332 0.00154 0.00061 -0.00140 0.00968 15 4YZ 0.00397 -0.00065 -0.00034 -0.00028 0.00033 16 2 C 1S -0.00620 0.00380 0.00257 0.00143 -0.00152 17 2S 0.01259 -0.00786 -0.00830 -0.00214 -0.00386 18 2PX 0.13627 -0.01019 -0.05245 -0.01115 0.16238 19 2PY -0.05207 0.01510 0.00851 -0.00321 -0.01330 20 2PZ 0.20496 -0.04186 -0.09457 -0.01605 0.19272 21 3S 0.03474 -0.01758 0.04075 -0.01398 0.03320 22 3PX 0.07965 -0.01086 -0.06272 -0.00523 0.11111 23 3PY -0.02173 0.01153 0.01860 0.00095 -0.00665 24 3PZ 0.13247 -0.03007 -0.04922 -0.01309 0.14648 25 4XX -0.00499 0.00089 0.00716 -0.00023 -0.00036 26 4YY -0.00055 0.00010 -0.00064 -0.00006 -0.00136 27 4ZZ 0.00521 -0.00007 -0.00524 0.00073 -0.00062 28 4XY 0.00458 -0.00084 0.00270 -0.00108 0.00738 29 4XZ -0.00450 0.00063 0.00082 0.00001 0.00263 30 4YZ 0.00671 -0.00098 0.00649 -0.00075 0.00699 31 3 C 1S -0.00620 0.00380 -0.00256 0.00143 -0.00152 32 2S 0.01259 -0.00786 0.00830 -0.00215 -0.00386 33 2PX 0.13627 -0.01019 0.05242 -0.01121 0.16238 34 2PY 0.05207 -0.01510 0.00851 0.00320 0.01330 35 2PZ 0.20496 -0.04186 0.09454 -0.01616 0.19272 36 3S 0.03474 -0.01758 -0.04077 -0.01393 0.03320 37 3PX 0.07965 -0.01086 0.06270 -0.00531 0.11111 38 3PY 0.02173 -0.01153 0.01859 -0.00097 0.00665 39 3PZ 0.13247 -0.03007 0.04919 -0.01315 0.14648 40 4XX -0.00499 0.00089 -0.00716 -0.00023 -0.00036 41 4YY -0.00055 0.00010 0.00064 -0.00006 -0.00136 42 4ZZ 0.00521 -0.00007 0.00524 0.00072 -0.00062 43 4XY -0.00458 0.00084 0.00270 0.00107 -0.00738 44 4XZ -0.00450 0.00063 -0.00082 0.00001 0.00263 45 4YZ -0.00671 0.00098 0.00649 0.00074 -0.00699 46 4 C 1S -0.00224 -0.00310 0.01208 -0.00011 0.01469 47 2S 0.01421 0.00728 -0.02580 0.00120 -0.03278 48 2PX 0.10494 -0.02257 0.16669 0.00648 0.01495 49 2PY -0.02170 0.00794 0.03033 -0.00406 0.01722 50 2PZ 0.10358 0.00533 0.14454 0.01370 -0.01562 51 3S -0.04558 0.01530 -0.05107 -0.00914 -0.07308 52 3PX 0.05190 0.00341 0.14302 0.00753 0.01331 53 3PY 0.02446 0.01533 -0.01448 -0.01606 0.04168 54 3PZ 0.06368 0.00979 0.08556 -0.00238 -0.00975 55 4XX 0.00929 -0.00292 0.00177 -0.00191 0.01477 56 4YY -0.00009 0.00170 0.00177 0.00108 -0.00687 57 4ZZ -0.01133 0.00192 -0.00317 0.00013 -0.00263 58 4XY 0.00003 -0.00053 -0.00161 0.00035 -0.00042 59 4XZ -0.00332 0.00154 -0.00062 -0.00140 0.00968 60 4YZ -0.00397 0.00065 -0.00034 0.00028 -0.00033 61 5 H 1S -0.00734 0.01187 -0.01803 0.00420 -0.02233 62 2S -0.01585 -0.01429 -0.06851 0.03523 -0.04383 63 6 H 1S 0.00655 0.00182 0.01349 0.00264 -0.00874 64 2S 0.01245 0.00354 0.02182 0.00431 -0.00908 65 7 H 1S 0.00655 0.00182 -0.01348 0.00266 -0.00874 66 2S 0.01245 0.00354 -0.02181 0.00433 -0.00908 67 8 H 1S -0.00734 0.01187 0.01804 0.00418 -0.02233 68 2S -0.01585 -0.01430 0.06855 0.03515 -0.04383 69 9 C 1S -0.00274 0.00847 0.00000 -0.00334 0.01662 70 2S 0.00118 -0.01607 0.00001 0.00668 -0.05136 71 2PX -0.16281 0.08122 0.00000 -0.00356 -0.01670 72 2PY 0.00000 0.00000 0.02129 -0.00001 0.00000 73 2PZ -0.14229 -0.00200 -0.00001 -0.01586 0.06220 74 3S 0.03592 -0.05125 0.00001 0.01393 -0.01111 75 3PX -0.04669 0.04566 0.00000 -0.00054 -0.00422 76 3PY 0.00000 0.00000 0.02629 -0.00002 0.00000 77 3PZ -0.11016 -0.03205 0.00000 0.00025 -0.03602 78 4XX 0.00742 -0.00392 0.00000 -0.00066 0.00434 79 4YY 0.00390 0.00187 0.00000 0.00092 -0.00505 80 4ZZ -0.01369 0.00183 0.00000 -0.00141 0.00073 81 4XY 0.00000 0.00000 0.01059 -0.00001 0.00000 82 4XZ -0.01986 0.00526 0.00000 -0.00144 0.00370 83 4YZ 0.00000 0.00000 0.00694 0.00000 0.00000 84 10 H 1S 0.10083 -0.04449 0.00000 0.00417 0.00708 85 2S 0.14072 0.01803 0.00000 0.00167 0.02450 86 11 H 1S -0.16757 0.03076 -0.00001 -0.01162 0.02253 87 2S -0.16394 0.04603 -0.00002 -0.02096 0.08077 88 12 C 1S -0.00376 0.00171 0.02203 0.01774 -0.01663 89 2S 0.01219 -0.00522 -0.03696 -0.03347 0.02867 90 2PX -0.07545 0.01725 0.00840 0.05848 0.23336 91 2PY -0.02551 -0.00571 -0.01583 -0.14458 0.06182 92 2PZ -0.13453 0.01349 -0.16655 -0.06601 0.17928 93 3S 0.00419 -0.00958 -0.19033 -0.12714 0.09254 94 3PX -0.06372 0.01748 -0.01692 0.03856 0.16103 95 3PY -0.00945 -0.00717 0.04325 -0.07398 0.05134 96 3PZ -0.08007 0.02569 -0.11868 -0.04687 0.14855 97 4XX -0.00481 0.00006 -0.00249 -0.00125 -0.00582 98 4YY 0.00159 -0.00055 0.00325 0.00460 0.00031 99 4ZZ 0.00309 0.00049 0.00191 -0.00167 0.00260 100 4XY 0.00345 -0.00173 0.00110 -0.00068 -0.00823 101 4XZ -0.00257 0.00017 -0.00520 0.00154 -0.00221 102 4YZ 0.00159 -0.00186 -0.01134 0.00194 -0.00808 103 13 C 1S -0.00376 0.00171 -0.02201 0.01776 -0.01663 104 2S 0.01219 -0.00522 0.03692 -0.03351 0.02868 105 2PX -0.07545 0.01725 -0.00836 0.05849 0.23335 106 2PY 0.02551 0.00571 -0.01566 0.14460 -0.06183 107 2PZ -0.13453 0.01349 0.16646 -0.06620 0.17929 108 3S 0.00419 -0.00958 0.19018 -0.12736 0.09257 109 3PX -0.06372 0.01748 0.01695 0.03854 0.16102 110 3PY 0.00945 0.00717 0.04334 0.07393 -0.05133 111 3PZ -0.08007 0.02568 0.11861 -0.04701 0.14856 112 4XX -0.00481 0.00006 0.00249 -0.00125 -0.00582 113 4YY 0.00159 -0.00055 -0.00324 0.00460 0.00031 114 4ZZ 0.00309 0.00049 -0.00191 -0.00166 0.00260 115 4XY -0.00345 0.00173 0.00110 0.00068 0.00823 116 4XZ -0.00257 0.00017 0.00520 0.00153 -0.00221 117 4YZ -0.00159 0.00186 -0.01135 -0.00193 0.00808 118 14 C 1S 0.00318 -0.00002 0.00346 0.00091 0.00289 119 2S -0.00752 0.00326 -0.00997 -0.00302 -0.00220 120 2PX 0.00748 -0.03055 0.05893 -0.05255 -0.00989 121 2PY -0.02021 0.00385 -0.01387 -0.00110 -0.00052 122 2PZ 0.02301 -0.03495 -0.04635 0.03390 0.02441 123 3S -0.01499 -0.00567 -0.01060 0.00294 -0.02758 124 3PX 0.00593 -0.02047 -0.00039 0.04549 0.00108 125 3PY -0.00848 -0.00628 -0.00782 0.00406 -0.02405 126 3PZ 0.02293 -0.03990 -0.00693 -0.03278 0.00343 127 4XX -0.00705 -0.00597 0.00681 -0.00477 0.01238 128 4YY 0.00204 -0.00205 -0.00225 0.00189 -0.00470 129 4ZZ 0.00528 0.00911 -0.00531 0.00272 -0.00542 130 4XY -0.00034 0.01204 0.02348 -0.02616 0.00189 131 4XZ -0.00199 -0.00028 0.00445 -0.00088 0.00304 132 4YZ -0.00295 0.01879 -0.00672 0.01587 0.01354 133 15 C 1S 0.00149 -0.00126 0.02466 -0.01622 -0.00579 134 2S -0.00502 0.00186 -0.05210 0.03283 0.01322 135 2PX 0.06097 0.20297 -0.08490 0.06564 -0.02641 136 2PY 0.00644 -0.01328 0.03013 -0.14139 -0.01970 137 2PZ 0.08654 0.25865 0.05942 -0.06107 -0.08578 138 3S -0.00166 0.01716 -0.17517 0.11434 0.04007 139 3PX 0.03975 0.14217 -0.04587 0.04290 -0.01923 140 3PY 0.00260 -0.00900 -0.03234 -0.06433 -0.01426 141 3PZ 0.05521 0.18167 0.02123 -0.03881 -0.05953 142 4XX 0.00049 0.00141 0.00076 0.00188 0.00154 143 4YY 0.00006 -0.00037 0.00237 -0.00376 0.00008 144 4ZZ -0.00068 -0.00041 0.00035 0.00156 -0.00152 145 4XY 0.00226 0.00956 0.00646 0.00150 -0.00165 146 4XZ 0.00137 0.00023 0.00053 -0.00206 0.00103 147 4YZ 0.00308 0.01268 -0.00368 -0.00255 -0.00197 148 16 C 1S 0.00149 -0.00126 -0.02468 -0.01619 -0.00579 149 2S -0.00502 0.00186 0.05214 0.03277 0.01322 150 2PX 0.06097 0.20297 0.08498 0.06554 -0.02639 151 2PY -0.00644 0.01328 0.03029 0.14136 0.01970 152 2PZ 0.08654 0.25865 -0.05948 -0.06100 -0.08579 153 3S -0.00166 0.01716 0.17530 0.11413 0.04010 154 3PX 0.03975 0.14217 0.04592 0.04284 -0.01922 155 3PY -0.00260 0.00899 -0.03226 0.06437 0.01425 156 3PZ 0.05521 0.18167 -0.02127 -0.03878 -0.05954 157 4XX 0.00049 0.00141 -0.00076 0.00188 0.00154 158 4YY 0.00006 -0.00037 -0.00238 -0.00376 0.00008 159 4ZZ -0.00068 -0.00041 -0.00035 0.00156 -0.00152 160 4XY -0.00226 -0.00956 0.00646 -0.00151 0.00165 161 4XZ 0.00137 0.00023 -0.00053 -0.00205 0.00103 162 4YZ -0.00308 -0.01268 -0.00368 0.00255 0.00197 163 17 C 1S 0.00318 -0.00002 -0.00345 0.00091 0.00289 164 2S -0.00752 0.00326 0.00997 -0.00303 -0.00220 165 2PX 0.00748 -0.03055 -0.05899 -0.05248 -0.00990 166 2PY 0.02021 -0.00385 -0.01387 0.00112 0.00052 167 2PZ 0.02301 -0.03495 0.04639 0.03385 0.02442 168 3S -0.01499 -0.00567 0.01060 0.00293 -0.02758 169 3PX 0.00593 -0.02047 0.00044 0.04549 0.00108 170 3PY 0.00848 0.00628 -0.00782 -0.00405 0.02405 171 3PZ 0.02293 -0.03990 0.00689 -0.03279 0.00343 172 4XX -0.00705 -0.00597 -0.00682 -0.00476 0.01238 173 4YY 0.00204 -0.00205 0.00225 0.00189 -0.00470 174 4ZZ 0.00528 0.00911 0.00532 0.00271 -0.00542 175 4XY 0.00034 -0.01204 0.02351 0.02613 -0.00189 176 4XZ -0.00199 -0.00028 -0.00445 -0.00087 0.00304 177 4YZ 0.00295 -0.01879 -0.00674 -0.01586 -0.01354 178 18 H 1S 0.03793 -0.00391 0.08171 -0.01829 0.01596 179 2S 0.02331 0.01345 0.10517 0.01150 0.00397 180 19 H 1S 0.03793 -0.00391 -0.08173 -0.01819 0.01595 181 2S 0.02331 0.01345 -0.10515 0.01162 0.00396 182 20 H 1S -0.00382 0.00039 0.03854 0.02166 -0.00482 183 2S -0.00291 -0.00253 0.07253 -0.00576 -0.01360 184 21 H 1S -0.00382 0.00039 -0.03852 0.02170 -0.00483 185 2S -0.00291 -0.00253 -0.07254 -0.00567 -0.01361 186 22 O 1S 0.00079 -0.00005 0.00015 0.00007 0.00089 187 2S -0.00008 0.00233 -0.00162 -0.00100 -0.00097 188 2PX 0.02115 -0.13855 0.28128 0.36069 -0.04744 189 2PY -0.01200 -0.03451 0.02933 0.01504 0.00192 190 2PZ 0.05081 -0.22520 -0.06662 -0.22528 -0.13314 191 3S -0.00767 -0.00809 0.00410 0.00331 -0.01281 192 3PX 0.01301 -0.09986 0.20425 0.25743 -0.03766 193 3PY -0.00581 -0.02215 0.01938 0.01010 0.00227 194 3PZ 0.03192 -0.15989 -0.04777 -0.15894 -0.10230 195 4XX -0.00029 -0.00124 0.00068 0.00176 0.00143 196 4YY 0.00058 0.00303 -0.00203 -0.00121 0.00077 197 4ZZ 0.00133 -0.00009 0.00016 -0.00134 -0.00090 198 4XY -0.00123 0.00684 -0.00982 -0.01259 0.00255 199 4XZ 0.00018 -0.00183 0.00025 0.00026 -0.00081 200 4YZ -0.00270 0.01074 0.00134 0.00776 0.00515 201 23 O 1S 0.00079 -0.00005 -0.00015 0.00007 0.00089 202 2S -0.00008 0.00233 0.00162 -0.00100 -0.00097 203 2PX 0.02115 -0.13855 -0.28085 0.36101 -0.04748 204 2PY 0.01200 0.03451 0.02931 -0.01507 -0.00191 205 2PZ 0.05081 -0.22520 0.06636 -0.22535 -0.13312 206 3S -0.00767 -0.00809 -0.00409 0.00331 -0.01281 207 3PX 0.01301 -0.09986 -0.20394 0.25767 -0.03769 208 3PY 0.00581 0.02215 0.01937 -0.01012 -0.00227 209 3PZ 0.03192 -0.15989 0.04759 -0.15900 -0.10229 210 4XX -0.00029 -0.00124 -0.00068 0.00176 0.00143 211 4YY 0.00058 0.00303 0.00203 -0.00121 0.00077 212 4ZZ 0.00133 -0.00009 -0.00017 -0.00134 -0.00090 213 4XY 0.00123 -0.00684 -0.00980 0.01260 -0.00255 214 4XZ 0.00018 -0.00183 -0.00025 0.00027 -0.00081 215 4YZ 0.00270 -0.01074 0.00133 -0.00776 -0.00515 46 47 48 49 50 O V V V V Eigenvalues -- -0.24350 -0.09990 -0.03683 -0.01299 0.03531 1 1 C 1S 0.01316 0.01390 0.02131 -0.00321 -0.00742 2 2S -0.02755 -0.03288 -0.02875 0.02803 0.01996 3 2PX 0.17753 0.07995 0.24441 -0.00140 -0.08075 4 2PY -0.04977 -0.02594 -0.01174 -0.00175 0.01229 5 2PZ 0.13864 0.05535 0.25754 -0.03076 -0.09108 6 3S -0.03357 -0.06083 -0.19708 -0.12221 0.01358 7 3PX 0.14708 0.06518 0.26250 -0.01338 -0.16685 8 3PY -0.00999 -0.03700 -0.06399 -0.04297 -0.07452 9 3PZ 0.11112 0.06366 0.33403 -0.03222 -0.07942 10 4XX 0.00419 0.00840 0.00067 -0.01520 0.00128 11 4YY 0.00250 -0.00105 -0.00011 0.00329 -0.00039 12 4ZZ -0.00538 -0.00410 0.00748 0.00894 -0.00449 13 4XY 0.00152 0.00040 -0.00062 -0.00034 0.00522 14 4XZ 0.00040 0.00508 0.00092 -0.01201 -0.00565 15 4YZ -0.00042 -0.00090 -0.00201 -0.00058 0.00267 16 2 C 1S -0.00353 -0.00160 -0.00189 0.00013 -0.00465 17 2S 0.01342 0.00254 -0.00190 0.00036 0.01964 18 2PX 0.06420 0.06813 -0.11783 -0.18001 -0.00698 19 2PY -0.01348 -0.00616 0.00592 -0.00523 -0.00857 20 2PZ 0.11087 0.08721 -0.11500 -0.17856 0.02664 21 3S -0.04398 0.00880 0.05276 0.04838 0.05849 22 3PX 0.07773 0.06802 -0.17776 -0.26315 -0.00540 23 3PY -0.03724 -0.02285 0.00394 0.03310 -0.00497 24 3PZ 0.06104 0.09092 -0.14430 -0.20479 0.07217 25 4XX -0.00713 -0.00348 -0.01530 0.00068 0.00445 26 4YY 0.00096 0.00000 -0.00014 0.00197 0.00185 27 4ZZ 0.00538 0.00258 0.01462 -0.00121 -0.00340 28 4XY -0.00310 -0.00330 -0.00816 0.00925 0.00139 29 4XZ -0.00129 0.00021 -0.00266 -0.00140 -0.00185 30 4YZ -0.00770 -0.00541 -0.01048 0.00920 0.00419 31 3 C 1S 0.00353 0.00160 -0.00189 -0.00013 -0.00465 32 2S -0.01342 -0.00254 -0.00190 -0.00036 0.01964 33 2PX -0.06421 -0.06813 -0.11783 0.18000 -0.00698 34 2PY -0.01348 -0.00616 -0.00592 -0.00523 0.00858 35 2PZ -0.11088 -0.08721 -0.11501 0.17855 0.02664 36 3S 0.04398 -0.00880 0.05276 -0.04838 0.05849 37 3PX -0.07773 -0.06803 -0.17776 0.26315 -0.00541 38 3PY -0.03724 -0.02285 -0.00394 0.03310 0.00497 39 3PZ -0.06105 -0.09092 -0.14431 0.20479 0.07217 40 4XX 0.00713 0.00348 -0.01530 -0.00068 0.00445 41 4YY -0.00096 0.00000 -0.00014 -0.00197 0.00185 42 4ZZ -0.00538 -0.00258 0.01462 0.00121 -0.00340 43 4XY -0.00310 -0.00330 0.00816 0.00925 -0.00139 44 4XZ 0.00129 -0.00021 -0.00266 0.00140 -0.00185 45 4YZ -0.00770 -0.00541 0.01048 0.00920 -0.00419 46 4 C 1S -0.01316 -0.01390 0.02131 0.00321 -0.00742 47 2S 0.02755 0.03288 -0.02875 -0.02803 0.01996 48 2PX -0.17753 -0.07995 0.24441 0.00141 -0.08075 49 2PY -0.04977 -0.02594 0.01174 -0.00175 -0.01229 50 2PZ -0.13864 -0.05535 0.25754 0.03077 -0.09108 51 3S 0.03357 0.06083 -0.19709 0.12221 0.01358 52 3PX -0.14708 -0.06518 0.26250 0.01339 -0.16685 53 3PY -0.00999 -0.03700 0.06399 -0.04296 0.07452 54 3PZ -0.11112 -0.06366 0.33403 0.03223 -0.07942 55 4XX -0.00419 -0.00840 0.00067 0.01520 0.00128 56 4YY -0.00250 0.00105 -0.00011 -0.00329 -0.00039 57 4ZZ 0.00538 0.00410 0.00748 -0.00894 -0.00449 58 4XY 0.00152 0.00040 0.00062 -0.00034 -0.00522 59 4XZ -0.00040 -0.00508 0.00092 0.01201 -0.00565 60 4YZ -0.00042 -0.00090 0.00201 -0.00058 -0.00267 61 5 H 1S 0.02464 -0.00210 0.00857 0.01995 -0.00748 62 2S 0.03605 -0.02912 0.00571 0.03267 -0.10094 63 6 H 1S -0.01306 -0.00824 -0.00312 0.00452 0.00327 64 2S -0.03171 -0.01571 0.00729 0.02969 0.02082 65 7 H 1S 0.01306 0.00824 -0.00312 -0.00452 0.00327 66 2S 0.03171 0.01571 0.00729 -0.02969 0.02082 67 8 H 1S -0.02464 0.00210 0.00857 -0.01995 -0.00748 68 2S -0.03605 0.02912 0.00570 -0.03267 -0.10094 69 9 C 1S 0.00000 0.00000 -0.00486 0.00000 0.00299 70 2S 0.00000 0.00000 0.00512 0.00000 -0.01612 71 2PX 0.00000 0.00000 0.01060 0.00000 0.01727 72 2PY 0.01336 0.04313 0.00000 -0.07452 0.00000 73 2PZ 0.00000 0.00000 -0.03263 0.00000 -0.00500 74 3S 0.00000 0.00000 0.06174 0.00000 0.01445 75 3PX 0.00000 0.00000 0.04226 0.00000 0.01304 76 3PY 0.01312 -0.00604 0.00000 -0.15169 0.00000 77 3PZ 0.00000 0.00000 -0.05143 0.00000 -0.08093 78 4XX 0.00000 0.00000 0.00982 0.00000 -0.00389 79 4YY 0.00000 0.00000 0.01013 0.00000 -0.00274 80 4ZZ 0.00000 0.00000 -0.02193 0.00000 0.00520 81 4XY -0.00985 -0.00171 0.00000 0.00045 0.00000 82 4XZ 0.00000 0.00000 -0.01531 0.00000 0.00431 83 4YZ -0.00798 -0.00336 0.00000 -0.00110 0.00000 84 10 H 1S 0.00000 0.00000 0.05437 0.00000 -0.03616 85 2S 0.00000 0.00000 0.15786 0.00000 -0.02058 86 11 H 1S 0.00000 0.00000 -0.11571 0.00000 0.04516 87 2S 0.00000 0.00000 -0.28991 0.00000 0.15011 88 12 C 1S 0.02794 0.01035 -0.01065 -0.02833 0.01537 89 2S -0.05709 -0.01704 0.03660 0.05547 -0.02300 90 2PX 0.14244 -0.09309 0.06776 0.20338 -0.14225 91 2PY -0.04083 -0.02112 0.01030 0.03902 -0.05005 92 2PZ 0.02138 -0.06579 0.08548 0.16821 -0.11652 93 3S -0.20125 -0.06006 -0.02752 0.12548 -0.17797 94 3PX 0.09681 -0.07875 0.11623 0.28371 -0.19109 95 3PY 0.03321 0.00035 -0.01368 0.11861 -0.09249 96 3PZ 0.03697 -0.08737 0.10114 0.16479 -0.11831 97 4XX 0.00308 0.01076 -0.00866 -0.00665 -0.01327 98 4YY 0.00159 -0.00087 0.00268 -0.00207 0.00072 99 4ZZ 0.00344 -0.00574 0.00209 0.00099 0.01818 100 4XY 0.00889 -0.00457 -0.00618 0.01023 0.01367 101 4XZ 0.00529 0.00589 -0.01586 -0.00012 -0.00147 102 4YZ 0.00166 -0.00369 -0.00424 0.00828 0.01496 103 13 C 1S -0.02793 -0.01035 -0.01065 0.02832 0.01537 104 2S 0.05709 0.01704 0.03661 -0.05547 -0.02300 105 2PX -0.14245 0.09309 0.06777 -0.20338 -0.14225 106 2PY -0.04082 -0.02112 -0.01030 0.03902 0.05005 107 2PZ -0.02140 0.06579 0.08548 -0.16821 -0.11652 108 3S 0.20124 0.06006 -0.02752 -0.12548 -0.17796 109 3PX -0.09682 0.07875 0.11623 -0.28371 -0.19109 110 3PY 0.03322 0.00035 0.01368 0.11861 0.09249 111 3PZ -0.03698 0.08737 0.10114 -0.16479 -0.11831 112 4XX -0.00308 -0.01076 -0.00866 0.00665 -0.01327 113 4YY -0.00159 0.00087 0.00268 0.00207 0.00072 114 4ZZ -0.00344 0.00574 0.00209 -0.00099 0.01818 115 4XY 0.00889 -0.00456 0.00618 0.01023 -0.01367 116 4XZ -0.00529 -0.00589 -0.01586 0.00012 -0.00147 117 4YZ 0.00166 -0.00369 0.00424 0.00828 -0.01496 118 14 C 1S -0.00396 0.00331 -0.00756 -0.00921 0.00142 119 2S 0.01351 -0.00856 0.02408 0.02331 -0.01040 120 2PX 0.08417 0.11935 0.10297 0.03183 0.19127 121 2PY 0.00942 -0.03386 0.00508 0.02338 -0.04192 122 2PZ -0.06257 0.19230 0.08898 -0.03247 0.31040 123 3S -0.00738 -0.03157 0.03797 0.04168 0.02996 124 3PX 0.01024 0.09621 0.09623 -0.00146 0.25213 125 3PY -0.00459 -0.02047 0.04887 -0.04226 -0.07915 126 3PZ -0.00544 0.13230 0.08533 -0.01964 0.33903 127 4XX -0.00053 -0.00322 0.00449 -0.02231 -0.00185 128 4YY 0.00045 -0.00456 -0.00091 0.00260 -0.00033 129 4ZZ 0.00030 0.00673 -0.00326 0.01807 0.00289 130 4XY 0.01701 0.01336 0.00626 0.00339 0.00773 131 4XZ -0.00266 0.00034 0.00033 -0.00445 0.00304 132 4YZ -0.01994 0.02037 0.00700 -0.00210 0.00864 133 15 C 1S 0.02583 -0.00162 0.00340 0.00476 -0.00123 134 2S -0.05208 -0.00068 -0.00780 -0.01564 0.00458 135 2PX -0.08510 0.14137 -0.05273 0.13641 -0.08409 136 2PY 0.03269 -0.00614 0.00726 0.01407 0.01185 137 2PZ 0.05946 0.17839 -0.05798 0.20976 -0.08534 138 3S -0.19544 0.02021 -0.01505 0.01570 0.03481 139 3PX -0.04092 0.15903 -0.05836 0.22540 -0.10740 140 3PY -0.03914 -0.01920 -0.00543 0.04873 -0.00704 141 3PZ 0.02354 0.19071 -0.04499 0.27381 -0.10901 142 4XX 0.00102 0.00574 0.00727 0.00114 0.01503 143 4YY 0.00224 0.00068 -0.00043 -0.00137 0.00200 144 4ZZ 0.00139 -0.00800 -0.00608 0.00015 -0.01653 145 4XY 0.00621 -0.00988 -0.00372 -0.00739 -0.01198 146 4XZ -0.00050 0.00313 0.00249 -0.00107 0.00560 147 4YZ -0.00458 -0.01089 -0.00440 -0.01284 -0.01101 148 16 C 1S -0.02583 0.00162 0.00340 -0.00476 -0.00123 149 2S 0.05208 0.00068 -0.00780 0.01564 0.00458 150 2PX 0.08511 -0.14137 -0.05272 -0.13641 -0.08409 151 2PY 0.03269 -0.00614 -0.00726 0.01407 -0.01185 152 2PZ -0.05946 -0.17839 -0.05797 -0.20976 -0.08534 153 3S 0.19544 -0.02021 -0.01505 -0.01570 0.03481 154 3PX 0.04092 -0.15903 -0.05835 -0.22541 -0.10740 155 3PY -0.03914 -0.01920 0.00543 0.04873 0.00704 156 3PZ -0.02353 -0.19071 -0.04499 -0.27382 -0.10901 157 4XX -0.00102 -0.00574 0.00727 -0.00114 0.01503 158 4YY -0.00224 -0.00068 -0.00043 0.00138 0.00200 159 4ZZ -0.00139 0.00800 -0.00608 -0.00015 -0.01653 160 4XY 0.00621 -0.00988 0.00372 -0.00739 0.01198 161 4XZ 0.00050 -0.00313 0.00249 0.00107 0.00560 162 4YZ -0.00458 -0.01089 0.00440 -0.01284 0.01101 163 17 C 1S 0.00396 -0.00331 -0.00756 0.00921 0.00142 164 2S -0.01351 0.00856 0.02408 -0.02331 -0.01040 165 2PX -0.08417 -0.11935 0.10297 -0.03183 0.19127 166 2PY 0.00942 -0.03386 -0.00508 0.02338 0.04192 167 2PZ 0.06257 -0.19230 0.08898 0.03247 0.31040 168 3S 0.00738 0.03157 0.03797 -0.04168 0.02996 169 3PX -0.01024 -0.09621 0.09623 0.00147 0.25213 170 3PY -0.00459 -0.02047 -0.04887 -0.04227 0.07915 171 3PZ 0.00544 -0.13230 0.08533 0.01964 0.33903 172 4XX 0.00053 0.00322 0.00449 0.02231 -0.00186 173 4YY -0.00045 0.00456 -0.00091 -0.00260 -0.00033 174 4ZZ -0.00030 -0.00673 -0.00326 -0.01807 0.00289 175 4XY 0.01701 0.01336 -0.00626 0.00339 -0.00773 176 4XZ 0.00266 -0.00033 0.00033 0.00445 0.00304 177 4YZ -0.01994 0.02037 -0.00700 -0.00210 -0.00864 178 18 H 1S -0.00219 -0.01966 0.03005 -0.01440 0.01398 179 2S 0.04368 -0.03537 0.10961 -0.14036 0.13980 180 19 H 1S 0.00219 0.01966 0.03005 0.01440 0.01398 181 2S -0.04368 0.03537 0.10961 0.14036 0.13980 182 20 H 1S 0.04006 -0.00753 -0.00061 0.00818 -0.00902 183 2S 0.08149 -0.01741 -0.00062 0.05050 -0.05786 184 21 H 1S -0.04006 0.00753 -0.00061 -0.00818 -0.00902 185 2S -0.08149 0.01741 -0.00062 -0.05050 -0.05786 186 22 O 1S -0.00021 0.00108 -0.00186 -0.00105 0.00084 187 2S 0.00018 -0.00366 -0.00124 -0.00449 0.00442 188 2PX 0.18339 0.15889 -0.06168 0.02290 -0.12816 189 2PY -0.00333 0.03589 -0.00875 0.00359 -0.02873 190 2PZ -0.23347 0.22948 -0.07217 -0.01491 -0.20055 191 3S 0.00171 -0.00630 0.04387 0.04251 -0.03715 192 3PX 0.13570 0.14006 -0.06910 0.01675 -0.14829 193 3PY -0.00161 0.03284 -0.02379 -0.00994 -0.01857 194 3PZ -0.17190 0.20255 -0.07469 -0.01507 -0.22486 195 4XX 0.00129 0.00121 -0.00219 0.00142 0.00232 196 4YY 0.00008 -0.00168 -0.00076 -0.00138 -0.00005 197 4ZZ -0.00177 -0.00065 -0.00216 -0.00578 0.00284 198 4XY -0.00501 -0.00203 -0.00049 0.00087 -0.00163 199 4XZ 0.00004 0.00106 -0.00044 0.00078 0.00083 200 4YZ 0.00772 -0.00269 -0.00023 -0.00084 -0.00394 201 23 O 1S 0.00021 -0.00108 -0.00186 0.00105 0.00085 202 2S -0.00018 0.00366 -0.00124 0.00449 0.00442 203 2PX -0.18339 -0.15889 -0.06168 -0.02290 -0.12816 204 2PY -0.00333 0.03589 0.00875 0.00359 0.02873 205 2PZ 0.23348 -0.22948 -0.07217 0.01491 -0.20055 206 3S -0.00171 0.00630 0.04388 -0.04251 -0.03715 207 3PX -0.13570 -0.14006 -0.06910 -0.01675 -0.14829 208 3PY -0.00160 0.03284 0.02379 -0.00994 0.01857 209 3PZ 0.17191 -0.20255 -0.07469 0.01507 -0.22486 210 4XX -0.00129 -0.00121 -0.00219 -0.00142 0.00232 211 4YY -0.00008 0.00168 -0.00076 0.00138 -0.00005 212 4ZZ 0.00177 0.00065 -0.00216 0.00578 0.00284 213 4XY -0.00501 -0.00203 0.00049 0.00087 0.00163 214 4XZ -0.00004 -0.00106 -0.00044 -0.00078 0.00083 215 4YZ 0.00772 -0.00269 0.00023 -0.00084 0.00394 51 52 53 54 55 V V V V V Eigenvalues -- 0.06751 0.09522 0.10486 0.12823 0.13238 1 1 C 1S 0.03648 0.03888 -0.01203 0.00604 0.00186 2 2S -0.05726 -0.08129 0.03347 -0.00416 0.02907 3 2PX 0.20314 0.00680 -0.01826 0.00613 0.00918 4 2PY -0.03054 0.10728 -0.06730 -0.03746 -0.02802 5 2PZ 0.12262 -0.04612 0.00083 -0.00607 -0.03941 6 3S -0.44187 -0.48560 0.06812 -0.15401 -0.12734 7 3PX 0.33131 0.06993 -0.01632 0.05716 0.00650 8 3PY -0.10236 0.24069 -0.28329 -0.23049 -0.21715 9 3PZ 0.17263 -0.11735 -0.01259 -0.09551 -0.34167 10 4XX -0.00836 -0.00203 0.00322 0.00362 -0.00322 11 4YY -0.00088 0.01470 -0.00688 -0.00263 0.00609 12 4ZZ 0.01834 -0.00753 0.00228 -0.00043 0.00217 13 4XY -0.00329 0.00765 -0.00637 -0.00549 0.00948 14 4XZ 0.00067 0.00465 -0.00112 0.00010 -0.00287 15 4YZ -0.00182 -0.00444 0.00363 0.00358 0.00430 16 2 C 1S 0.00924 0.03758 -0.01826 -0.00739 0.02399 17 2S -0.02598 -0.07609 0.01461 -0.00145 -0.00289 18 2PX -0.19550 -0.08070 0.06238 0.03161 -0.02300 19 2PY -0.00576 0.09204 -0.03612 0.00159 0.08138 20 2PZ -0.20152 0.09867 -0.01983 0.01017 0.09576 21 3S -0.04502 -0.60423 0.33564 0.11501 -0.54052 22 3PX -0.38426 -0.18901 0.06969 0.00733 -0.08470 23 3PY 0.02127 0.21485 -0.07996 -0.00450 0.25886 24 3PZ -0.30506 0.20897 -0.07007 -0.01165 0.15818 25 4XX -0.00885 0.00108 -0.00314 -0.00546 0.00441 26 4YY 0.00308 -0.00233 -0.00058 0.00065 0.00599 27 4ZZ 0.00647 0.00118 -0.00150 0.00022 0.00021 28 4XY 0.00958 -0.01127 0.01033 0.00778 0.00115 29 4XZ 0.00097 -0.00172 0.00543 0.00522 -0.00281 30 4YZ 0.00814 0.01239 -0.00430 -0.00101 0.00726 31 3 C 1S -0.00924 0.03758 -0.01826 -0.00739 0.02399 32 2S 0.02598 -0.07609 0.01461 -0.00145 -0.00289 33 2PX 0.19550 -0.08070 0.06238 0.03162 -0.02300 34 2PY -0.00576 -0.09204 0.03612 -0.00159 -0.08138 35 2PZ 0.20152 0.09867 -0.01982 0.01017 0.09577 36 3S 0.04502 -0.60423 0.33564 0.11501 -0.54052 37 3PX 0.38426 -0.18901 0.06969 0.00733 -0.08470 38 3PY 0.02127 -0.21485 0.07996 0.00450 -0.25886 39 3PZ 0.30506 0.20897 -0.07007 -0.01163 0.15819 40 4XX 0.00886 0.00108 -0.00314 -0.00546 0.00441 41 4YY -0.00308 -0.00233 -0.00058 0.00065 0.00599 42 4ZZ -0.00647 0.00118 -0.00150 0.00022 0.00021 43 4XY 0.00958 0.01127 -0.01033 -0.00778 -0.00115 44 4XZ -0.00097 -0.00172 0.00543 0.00522 -0.00281 45 4YZ 0.00814 -0.01239 0.00430 0.00101 -0.00726 46 4 C 1S -0.03648 0.03888 -0.01203 0.00604 0.00186 47 2S 0.05726 -0.08129 0.03347 -0.00416 0.02907 48 2PX -0.20315 0.00680 -0.01826 0.00613 0.00918 49 2PY -0.03054 -0.10728 0.06730 0.03745 0.02802 50 2PZ -0.12262 -0.04612 0.00083 -0.00608 -0.03941 51 3S 0.44188 -0.48560 0.06812 -0.15403 -0.12734 52 3PX -0.33131 0.06993 -0.01633 0.05715 0.00649 53 3PY -0.10237 -0.24069 0.28329 0.23049 0.21715 54 3PZ -0.17264 -0.11735 -0.01260 -0.09552 -0.34167 55 4XX 0.00836 -0.00203 0.00322 0.00362 -0.00322 56 4YY 0.00088 0.01470 -0.00688 -0.00263 0.00609 57 4ZZ -0.01834 -0.00753 0.00228 -0.00043 0.00217 58 4XY -0.00329 -0.00765 0.00637 0.00549 -0.00948 59 4XZ -0.00067 0.00465 -0.00112 0.00010 -0.00287 60 4YZ -0.00182 0.00444 -0.00363 -0.00359 -0.00430 61 5 H 1S 0.00152 0.05640 -0.02690 -0.00973 0.02350 62 2S 0.11215 0.69983 -0.38647 -0.12823 -0.06939 63 6 H 1S -0.00234 0.04650 -0.05029 -0.04376 0.01725 64 2S 0.07387 0.84360 -0.39946 -0.12797 0.58753 65 7 H 1S 0.00234 0.04650 -0.05029 -0.04376 0.01725 66 2S -0.07387 0.84360 -0.39946 -0.12796 0.58754 67 8 H 1S -0.00152 0.05640 -0.02690 -0.00973 0.02350 68 2S -0.11215 0.69983 -0.38646 -0.12822 -0.06939 69 9 C 1S 0.00000 0.03823 -0.02321 -0.02959 -0.10779 70 2S 0.00000 -0.05506 0.01454 0.02028 0.10203 71 2PX 0.00000 0.04319 -0.04236 -0.05403 0.09212 72 2PY -0.07587 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 -0.08956 -0.00636 -0.02462 0.28609 74 3S 0.00000 -0.56216 0.51844 0.63972 2.10544 75 3PX 0.00000 0.03705 -0.03275 -0.06332 0.41613 76 3PY -0.25836 0.00000 0.00000 0.00000 0.00000 77 3PZ 0.00000 -0.17410 -0.15971 -0.20806 0.66827 78 4XX 0.00000 0.00912 -0.00278 -0.00155 -0.00729 79 4YY 0.00000 -0.01246 0.00367 -0.00180 -0.01058 80 4ZZ 0.00000 0.01032 -0.00311 -0.00151 -0.00388 81 4XY -0.01441 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 -0.00468 0.00900 0.00651 -0.00859 83 4YZ -0.01510 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.03406 -0.02543 -0.01850 -0.00279 85 2S 0.00000 0.44377 -0.30007 -0.32055 -0.59371 86 11 H 1S 0.00000 0.02689 0.01460 0.01706 -0.05336 87 2S 0.00000 0.41847 0.02264 0.06658 -1.75156 88 12 C 1S 0.00168 0.02556 0.03433 0.02975 -0.00382 89 2S -0.00768 -0.04303 -0.07355 -0.03511 0.03326 90 2PX -0.06343 -0.02105 -0.02897 -0.10613 -0.00197 91 2PY -0.01930 -0.04268 -0.04527 -0.06810 -0.01968 92 2PZ -0.10755 0.06317 0.06857 0.17202 0.02669 93 3S 0.06883 -0.35161 -0.44037 -0.67092 -0.04473 94 3PX -0.12878 -0.13321 -0.08302 -0.22626 -0.04980 95 3PY -0.03861 -0.14920 -0.17367 -0.26784 -0.01262 96 3PZ -0.24971 0.19104 0.18889 0.38520 0.06732 97 4XX 0.00526 0.00353 0.00422 0.00085 0.00178 98 4YY -0.00202 -0.00159 -0.00624 -0.00020 0.00658 99 4ZZ 0.00082 0.00444 0.00569 0.00486 -0.00548 100 4XY -0.00145 0.00259 0.00987 0.01033 0.00241 101 4XZ 0.01114 -0.00171 -0.00597 0.00132 -0.00276 102 4YZ -0.00627 -0.00668 -0.00876 -0.01425 0.00279 103 13 C 1S -0.00168 0.02556 0.03433 0.02975 -0.00382 104 2S 0.00768 -0.04303 -0.07355 -0.03511 0.03327 105 2PX 0.06342 -0.02105 -0.02896 -0.10613 -0.00197 106 2PY -0.01930 0.04268 0.04527 0.06810 0.01968 107 2PZ 0.10755 0.06317 0.06857 0.17202 0.02669 108 3S -0.06883 -0.35161 -0.44037 -0.67090 -0.04473 109 3PX 0.12878 -0.13320 -0.08301 -0.22623 -0.04979 110 3PY -0.03861 0.14920 0.17367 0.26782 0.01261 111 3PZ 0.24971 0.19104 0.18889 0.38519 0.06732 112 4XX -0.00526 0.00353 0.00422 0.00085 0.00178 113 4YY 0.00202 -0.00159 -0.00624 -0.00020 0.00658 114 4ZZ -0.00082 0.00444 0.00569 0.00486 -0.00548 115 4XY -0.00145 -0.00259 -0.00987 -0.01033 -0.00241 116 4XZ -0.01114 -0.00171 -0.00597 0.00132 -0.00276 117 4YZ -0.00627 0.00668 0.00876 0.01425 -0.00279 118 14 C 1S -0.00607 0.00524 0.01160 0.00399 0.00248 119 2S 0.02998 -0.02947 -0.02827 -0.00118 0.02051 120 2PX 0.11008 -0.02103 -0.00270 -0.09536 0.00754 121 2PY 0.00244 0.00400 0.02340 0.00838 0.00921 122 2PZ 0.11424 -0.02688 -0.00169 0.01413 0.03307 123 3S -0.02893 0.07253 -0.04924 -0.09442 -0.13933 124 3PX 0.05692 -0.05445 -0.03411 0.00262 0.02216 125 3PY 0.05222 -0.13328 0.06595 0.04706 0.00374 126 3PZ 0.11277 -0.01211 0.01578 -0.09892 0.01683 127 4XX 0.01204 -0.00579 -0.01263 0.00094 0.00115 128 4YY -0.00037 0.01309 0.02537 0.00063 0.00266 129 4ZZ -0.01040 -0.00472 -0.00992 -0.00169 -0.00223 130 4XY 0.00171 0.00297 0.00040 0.00898 -0.00105 131 4XZ 0.00238 0.00726 0.00489 -0.00046 -0.00515 132 4YZ 0.00365 0.00228 0.00412 -0.00441 -0.00046 133 15 C 1S 0.00382 0.02084 0.04527 -0.02700 -0.00196 134 2S -0.00245 -0.05818 -0.06621 0.04138 0.03845 135 2PX -0.11476 0.00958 0.12309 -0.12938 0.04313 136 2PY 0.00414 0.03197 0.08881 -0.07674 0.01125 137 2PZ -0.14852 -0.03596 -0.07563 0.12401 0.01429 138 3S -0.07902 -0.25380 -0.76639 0.61592 -0.04132 139 3PX -0.19554 0.08479 0.26289 -0.26706 0.04372 140 3PY -0.01124 0.14274 0.32237 -0.27907 -0.00057 141 3PZ -0.22025 -0.06754 -0.18291 0.22553 -0.02238 142 4XX 0.00627 0.00342 0.00866 -0.00173 -0.00022 143 4YY 0.00036 -0.00584 -0.00258 0.00140 0.00610 144 4ZZ -0.00506 0.00166 0.00300 -0.00019 0.00027 145 4XY 0.00535 0.00522 0.01484 -0.00945 0.00051 146 4XZ 0.00126 0.00067 -0.00924 -0.00418 -0.00702 147 4YZ 0.00704 -0.00323 -0.00996 0.01129 -0.00019 148 16 C 1S -0.00382 0.02084 0.04527 -0.02700 -0.00196 149 2S 0.00245 -0.05818 -0.06621 0.04137 0.03845 150 2PX 0.11476 0.00958 0.12309 -0.12938 0.04313 151 2PY 0.00414 -0.03197 -0.08881 0.07674 -0.01125 152 2PZ 0.14852 -0.03596 -0.07563 0.12401 0.01428 153 3S 0.07903 -0.25380 -0.76638 0.61593 -0.04132 154 3PX 0.19553 0.08479 0.26289 -0.26705 0.04372 155 3PY -0.01124 -0.14274 -0.32237 0.27906 0.00057 156 3PZ 0.22025 -0.06754 -0.18291 0.22551 -0.02239 157 4XX -0.00627 0.00342 0.00866 -0.00173 -0.00022 158 4YY -0.00036 -0.00584 -0.00258 0.00140 0.00610 159 4ZZ 0.00506 0.00166 0.00300 -0.00019 0.00027 160 4XY 0.00535 -0.00522 -0.01484 0.00945 -0.00051 161 4XZ -0.00126 0.00067 -0.00924 -0.00418 -0.00702 162 4YZ 0.00704 0.00323 0.00996 -0.01129 0.00019 163 17 C 1S 0.00607 0.00524 0.01160 0.00399 0.00248 164 2S -0.02998 -0.02947 -0.02827 -0.00118 0.02051 165 2PX -0.11008 -0.02103 -0.00270 -0.09536 0.00754 166 2PY 0.00245 -0.00400 -0.02340 -0.00838 -0.00921 167 2PZ -0.11423 -0.02688 -0.00169 0.01414 0.03308 168 3S 0.02893 0.07253 -0.04924 -0.09442 -0.13933 169 3PX -0.05692 -0.05445 -0.03411 0.00262 0.02216 170 3PY 0.05223 0.13328 -0.06595 -0.04704 -0.00373 171 3PZ -0.11277 -0.01211 0.01578 -0.09891 0.01683 172 4XX -0.01204 -0.00579 -0.01263 0.00094 0.00115 173 4YY 0.00037 0.01309 0.02537 0.00063 0.00266 174 4ZZ 0.01040 -0.00472 -0.00992 -0.00169 -0.00223 175 4XY 0.00171 -0.00296 -0.00040 -0.00898 0.00105 176 4XZ -0.00238 0.00726 0.00489 -0.00045 -0.00515 177 4YZ 0.00365 -0.00228 -0.00412 0.00441 0.00046 178 18 H 1S -0.01142 0.02980 0.05758 0.06096 -0.00155 179 2S -0.17390 0.54400 0.61755 1.02387 0.08686 180 19 H 1S 0.01142 0.02980 0.05758 0.06096 -0.00155 181 2S 0.17390 0.54400 0.61754 1.02384 0.08685 182 20 H 1S 0.00502 0.01912 0.08317 -0.04212 0.01504 183 2S 0.01424 0.33634 1.00155 -0.89593 0.08048 184 21 H 1S -0.00502 0.01912 0.08317 -0.04212 0.01504 185 2S -0.01425 0.33634 1.00155 -0.89591 0.08049 186 22 O 1S 0.00165 0.00457 -0.01166 -0.00356 -0.00305 187 2S 0.00575 0.00065 0.02743 0.00190 -0.00296 188 2PX 0.04350 -0.01199 0.02480 0.02926 -0.01119 189 2PY 0.00733 -0.03404 -0.07198 -0.00353 -0.01036 190 2PZ 0.05820 0.00944 0.01727 0.03267 -0.01110 191 3S -0.06244 -0.12078 0.10006 0.06440 0.06244 192 3PX 0.04624 0.00518 0.01689 0.04022 -0.00793 193 3PY 0.02882 0.02772 -0.07842 -0.02403 -0.03290 194 3PZ 0.06612 0.00779 0.01100 0.02562 -0.01215 195 4XX 0.00066 0.00573 -0.00174 -0.00403 -0.00306 196 4YY 0.00224 -0.00433 -0.00370 -0.00025 -0.00251 197 4ZZ 0.00524 0.00436 -0.00082 -0.00163 -0.00470 198 4XY 0.00256 0.00214 -0.00104 0.00456 -0.00022 199 4XZ -0.00035 0.00089 -0.00240 -0.00094 -0.00109 200 4YZ 0.00270 0.00201 0.00042 -0.00277 -0.00136 201 23 O 1S -0.00165 0.00457 -0.01166 -0.00356 -0.00305 202 2S -0.00575 0.00065 0.02743 0.00190 -0.00296 203 2PX -0.04351 -0.01199 0.02480 0.02926 -0.01119 204 2PY 0.00733 0.03404 0.07198 0.00353 0.01036 205 2PZ -0.05820 0.00944 0.01727 0.03268 -0.01110 206 3S 0.06244 -0.12078 0.10006 0.06442 0.06245 207 3PX -0.04624 0.00518 0.01689 0.04023 -0.00793 208 3PY 0.02882 -0.02772 0.07842 0.02404 0.03290 209 3PZ -0.06612 0.00779 0.01100 0.02563 -0.01215 210 4XX -0.00066 0.00573 -0.00174 -0.00403 -0.00306 211 4YY -0.00224 -0.00433 -0.00370 -0.00025 -0.00251 212 4ZZ -0.00524 0.00436 -0.00082 -0.00163 -0.00470 213 4XY 0.00256 -0.00214 0.00104 -0.00456 0.00022 214 4XZ 0.00035 0.00089 -0.00240 -0.00094 -0.00109 215 4YZ 0.00270 -0.00201 -0.00042 0.00277 0.00136 56 57 58 59 60 V V V V V Eigenvalues -- 0.13537 0.15171 0.15590 0.15962 0.17006 1 1 C 1S 0.00734 -0.00070 -0.08299 -0.08103 -0.00909 2 2S 0.00781 -0.02052 0.12238 0.14072 0.02409 3 2PX -0.08096 -0.04830 -0.03183 -0.02075 -0.01807 4 2PY 0.07019 -0.15077 -0.10074 -0.14749 0.01350 5 2PZ -0.09474 0.02290 0.07262 0.07278 -0.03850 6 3S -0.33959 0.47320 1.21575 1.19127 -0.01396 7 3PX -0.28175 -0.13394 -0.13419 -0.11737 -0.30867 8 3PY 0.08595 -0.18682 -0.42888 -0.65418 -0.04658 9 3PZ -0.16285 0.15415 0.23525 0.23219 -0.15153 10 4XX 0.00554 0.00055 -0.00257 -0.00945 -0.00507 11 4YY -0.00012 -0.00104 -0.01326 0.00583 0.00115 12 4ZZ -0.00959 0.00313 -0.00166 -0.00897 -0.00063 13 4XY 0.00680 0.00070 0.00773 -0.00451 0.01055 14 4XZ -0.01050 -0.00948 0.00342 0.00311 0.00841 15 4YZ 0.00389 -0.00207 -0.00988 0.00187 0.01135 16 2 C 1S -0.01470 -0.07278 0.03720 0.05210 -0.00495 17 2S 0.02752 0.13639 -0.06407 -0.10540 -0.00572 18 2PX 0.02447 0.08735 -0.06528 -0.01453 0.08734 19 2PY -0.00775 -0.09778 0.08681 0.02336 -0.05723 20 2PZ 0.10818 -0.13049 0.05956 -0.00058 -0.05852 21 3S 0.19989 0.99867 -0.65270 -0.30507 0.36022 22 3PX -0.03737 0.54079 -0.17286 -0.23709 0.16449 23 3PY -0.03553 -0.32461 0.41511 0.40577 -0.16574 24 3PZ 0.28031 -0.59517 0.14170 0.16768 -0.11796 25 4XX 0.00335 -0.00432 0.00155 -0.00045 0.00214 26 4YY -0.00222 -0.00163 -0.00471 0.01329 -0.00470 27 4ZZ -0.00379 -0.00206 0.00578 0.00220 0.00599 28 4XY -0.00163 -0.00167 0.00226 0.00332 0.00721 29 4XZ -0.00176 0.00274 -0.00277 -0.00395 -0.00486 30 4YZ -0.00280 0.00451 -0.00288 -0.00227 0.00341 31 3 C 1S 0.01470 0.07278 0.03719 -0.05210 -0.00495 32 2S -0.02752 -0.13639 -0.06406 0.10540 -0.00572 33 2PX -0.02447 -0.08735 -0.06527 0.01453 0.08734 34 2PY -0.00775 -0.09778 -0.08681 0.02337 0.05723 35 2PZ -0.10818 0.13049 0.05956 0.00058 -0.05852 36 3S -0.19988 -0.99869 -0.65267 0.30509 0.36023 37 3PX 0.03738 -0.54079 -0.17283 0.23710 0.16449 38 3PY -0.03553 -0.32462 -0.41508 0.40578 0.16575 39 3PZ -0.28031 0.59517 0.14168 -0.16769 -0.11796 40 4XX -0.00335 0.00432 0.00155 0.00045 0.00214 41 4YY 0.00222 0.00163 -0.00471 -0.01329 -0.00470 42 4ZZ 0.00379 0.00206 0.00578 -0.00220 0.00599 43 4XY -0.00163 -0.00167 -0.00226 0.00332 -0.00721 44 4XZ 0.00176 -0.00275 -0.00277 0.00395 -0.00486 45 4YZ -0.00280 0.00451 0.00288 -0.00227 -0.00341 46 4 C 1S -0.00734 0.00069 -0.08299 0.08104 -0.00909 47 2S -0.00781 0.02052 0.12237 -0.14072 0.02408 48 2PX 0.08097 0.04830 -0.03183 0.02076 -0.01807 49 2PY 0.07019 -0.15077 0.10073 -0.14749 -0.01350 50 2PZ 0.09474 -0.02290 0.07262 -0.07278 -0.03850 51 3S 0.33957 -0.47317 1.21570 -1.19133 -0.01397 52 3PX 0.28176 0.13394 -0.13419 0.11739 -0.30867 53 3PY 0.08596 -0.18681 0.42885 -0.65421 0.04658 54 3PZ 0.16284 -0.15414 0.23524 -0.23220 -0.15153 55 4XX -0.00554 -0.00055 -0.00256 0.00946 -0.00507 56 4YY 0.00012 0.00104 -0.01326 -0.00582 0.00115 57 4ZZ 0.00959 -0.00313 -0.00166 0.00897 -0.00063 58 4XY 0.00680 0.00070 -0.00773 -0.00451 -0.01055 59 4XZ 0.01050 0.00948 0.00342 -0.00311 0.00841 60 4YZ 0.00389 -0.00207 0.00988 0.00187 -0.01135 61 5 H 1S 0.00432 0.00465 -0.06321 -0.02491 -0.00569 62 2S 0.24661 -0.52824 -1.17302 -1.34037 -0.05596 63 6 H 1S -0.01593 -0.03643 0.02329 0.04095 -0.00724 64 2S 0.06082 -1.44130 0.82657 0.68839 -0.48974 65 7 H 1S 0.01593 0.03643 0.02329 -0.04095 -0.00724 66 2S -0.06082 1.44132 0.82650 -0.68842 -0.48975 67 8 H 1S -0.00432 -0.00465 -0.06321 0.02491 -0.00569 68 2S -0.24660 0.52821 -1.17296 1.34044 -0.05595 69 9 C 1S 0.00000 0.00000 0.08663 0.00000 0.02973 70 2S 0.00000 0.00000 -0.13080 0.00000 -0.05464 71 2PX 0.00000 0.00000 -0.00618 0.00000 0.40720 72 2PY -0.01512 -0.01949 0.00000 0.08923 0.00000 73 2PZ 0.00000 0.00000 0.07714 0.00000 0.01162 74 3S 0.00003 -0.00001 -1.06130 0.00004 -0.48775 75 3PX 0.00000 0.00000 0.03694 -0.00001 1.43372 76 3PY -0.09941 0.06147 0.00001 0.53008 0.00000 77 3PZ 0.00000 0.00000 0.05593 0.00000 0.04880 78 4XX 0.00000 0.00000 0.00129 0.00000 0.00669 79 4YY 0.00000 0.00000 0.02099 0.00000 -0.00288 80 4ZZ 0.00000 0.00000 -0.00252 0.00000 -0.00227 81 4XY 0.01213 0.00989 0.00000 -0.00807 0.00000 82 4XZ 0.00000 0.00000 -0.00338 0.00000 -0.00574 83 4YZ 0.00749 -0.01180 0.00000 0.01190 0.00000 84 10 H 1S 0.00000 0.00000 0.02339 0.00000 0.07511 85 2S -0.00001 0.00000 0.47274 -0.00002 1.89927 86 11 H 1S 0.00000 0.00000 -0.01540 0.00000 -0.03502 87 2S -0.00001 0.00000 0.28600 -0.00001 -0.91281 88 12 C 1S -0.05873 0.00889 0.00707 -0.00882 0.00903 89 2S 0.12947 -0.02399 -0.00448 0.00955 -0.01321 90 2PX 0.16933 0.04236 -0.01238 0.07985 -0.01107 91 2PY 0.04969 -0.00655 0.00342 0.01849 -0.03762 92 2PZ 0.11199 0.08264 0.01532 0.04824 0.03948 93 3S 0.26544 -0.05084 -0.19363 0.13055 -0.16534 94 3PX 0.63807 -0.11512 0.00102 0.12281 -0.14168 95 3PY 0.35852 -0.05178 -0.08997 0.15710 -0.12236 96 3PZ -0.18910 0.39070 0.00460 0.05663 0.10495 97 4XX 0.00438 0.00488 0.00185 0.00263 0.00232 98 4YY -0.01053 0.00234 -0.00182 -0.00222 0.00189 99 4ZZ -0.00927 -0.00511 0.00338 -0.00576 -0.00172 100 4XY 0.00404 0.00130 0.00374 0.00308 0.00559 101 4XZ 0.00372 0.00117 0.00310 0.00086 0.00209 102 4YZ 0.00054 0.00266 -0.00007 0.00074 0.00018 103 13 C 1S 0.05873 -0.00889 0.00707 0.00882 0.00903 104 2S -0.12947 0.02399 -0.00448 -0.00955 -0.01321 105 2PX -0.16933 -0.04236 -0.01238 -0.07985 -0.01108 106 2PY 0.04969 -0.00655 -0.00342 0.01849 0.03762 107 2PZ -0.11198 -0.08264 0.01532 -0.04824 0.03948 108 3S -0.26547 0.05084 -0.19363 -0.13055 -0.16535 109 3PX -0.63808 0.11512 0.00100 -0.12281 -0.14168 110 3PY 0.35854 -0.05178 0.08998 0.15710 0.12235 111 3PZ 0.18912 -0.39070 0.00461 -0.05663 0.10494 112 4XX -0.00438 -0.00488 0.00185 -0.00263 0.00232 113 4YY 0.01053 -0.00234 -0.00182 0.00222 0.00189 114 4ZZ 0.00927 0.00511 0.00338 0.00576 -0.00172 115 4XY 0.00404 0.00130 -0.00374 0.00308 -0.00559 116 4XZ -0.00372 -0.00117 0.00310 -0.00086 0.00209 117 4YZ 0.00054 0.00266 0.00007 0.00074 -0.00018 118 14 C 1S -0.01623 0.00156 0.00447 0.00091 0.01036 119 2S 0.03532 -0.01485 -0.01240 0.02793 -0.05967 120 2PX 0.14304 0.05604 -0.00575 0.08260 -0.01552 121 2PY 0.00300 -0.01860 -0.00247 0.00715 -0.03334 122 2PZ 0.18552 0.07253 -0.00977 0.10582 -0.04355 123 3S -0.01704 0.11813 -0.01834 -0.16068 0.06987 124 3PX 0.13565 0.15929 0.05731 0.16576 -0.02574 125 3PY -0.58438 0.19060 0.08937 0.21782 -0.29319 126 3PZ 0.20842 0.09889 -0.06612 0.04809 -0.06022 127 4XX -0.00468 0.00164 0.00035 -0.00039 -0.00032 128 4YY 0.00075 -0.00279 0.00016 -0.00175 0.00413 129 4ZZ 0.00036 -0.00003 -0.00016 0.00216 -0.00223 130 4XY 0.00072 -0.00009 -0.00079 -0.00196 0.00151 131 4XZ 0.01240 -0.00282 0.00055 -0.00394 0.00946 132 4YZ -0.00064 -0.00099 -0.00150 -0.00086 -0.00032 133 15 C 1S 0.02711 -0.00853 -0.00019 -0.00668 0.00407 134 2S -0.09032 0.02210 -0.02114 0.02664 -0.09172 135 2PX -0.11435 -0.05353 -0.01820 -0.03949 -0.05655 136 2PY 0.03290 -0.01208 -0.01809 -0.00467 -0.01707 137 2PZ -0.15835 -0.04854 -0.01241 -0.04230 -0.05910 138 3S 0.16802 -0.03368 0.10666 -0.03400 0.15390 139 3PX 0.16099 -0.20431 -0.03677 -0.16256 0.02120 140 3PY 0.35253 -0.13669 -0.05964 -0.15837 0.00793 141 3PZ -0.50817 -0.02208 0.02067 -0.05219 -0.04175 142 4XX 0.00861 0.00230 0.00036 0.00715 -0.00304 143 4YY 0.00452 -0.00098 -0.00354 0.00011 -0.01321 144 4ZZ -0.01141 -0.00376 0.00088 -0.00338 0.00053 145 4XY 0.00384 0.00154 0.00088 -0.00045 0.00065 146 4XZ -0.00002 0.00234 0.00298 -0.00079 0.01512 147 4YZ 0.00556 0.00200 -0.00072 0.00155 -0.00205 148 16 C 1S -0.02712 0.00853 -0.00019 0.00668 0.00407 149 2S 0.09032 -0.02210 -0.02114 -0.02664 -0.09172 150 2PX 0.11435 0.05353 -0.01820 0.03949 -0.05654 151 2PY 0.03290 -0.01208 0.01809 -0.00467 0.01706 152 2PZ 0.15836 0.04854 -0.01241 0.04231 -0.05910 153 3S -0.16800 0.03368 0.10667 0.03399 0.15389 154 3PX -0.16100 0.20431 -0.03677 0.16255 0.02123 155 3PY 0.35254 -0.13669 0.05965 -0.15838 -0.00795 156 3PZ 0.50818 0.02208 0.02068 0.05219 -0.04177 157 4XX -0.00861 -0.00230 0.00036 -0.00715 -0.00304 158 4YY -0.00452 0.00098 -0.00354 -0.00011 -0.01321 159 4ZZ 0.01141 0.00376 0.00088 0.00338 0.00053 160 4XY 0.00384 0.00154 -0.00088 -0.00045 -0.00065 161 4XZ 0.00002 -0.00234 0.00298 0.00079 0.01512 162 4YZ 0.00556 0.00200 0.00072 0.00155 0.00205 163 17 C 1S 0.01623 -0.00156 0.00447 -0.00091 0.01036 164 2S -0.03532 0.01485 -0.01240 -0.02793 -0.05967 165 2PX -0.14305 -0.05604 -0.00576 -0.08259 -0.01552 166 2PY 0.00300 -0.01860 0.00248 0.00714 0.03333 167 2PZ -0.18552 -0.07253 -0.00978 -0.10582 -0.04355 168 3S 0.01704 -0.11813 -0.01833 0.16069 0.06986 169 3PX -0.13566 -0.15928 0.05730 -0.16576 -0.02574 170 3PY -0.58438 0.19060 -0.08937 0.21782 0.29320 171 3PZ -0.20842 -0.09889 -0.06612 -0.04808 -0.06022 172 4XX 0.00468 -0.00164 0.00035 0.00039 -0.00032 173 4YY -0.00075 0.00279 0.00016 0.00175 0.00413 174 4ZZ -0.00036 0.00003 -0.00016 -0.00216 -0.00223 175 4XY 0.00072 -0.00009 0.00079 -0.00196 -0.00151 176 4XZ -0.01240 0.00282 0.00055 0.00394 0.00946 177 4YZ -0.00064 -0.00099 0.00150 -0.00086 0.00032 178 18 H 1S -0.05561 -0.00993 0.00437 -0.02212 -0.00230 179 2S -0.77674 0.38656 0.12977 -0.17886 0.25774 180 19 H 1S 0.05562 0.00993 0.00437 0.02211 -0.00230 181 2S 0.77680 -0.38657 0.12979 0.17885 0.25774 182 20 H 1S 0.02251 -0.00654 -0.00527 0.00415 -0.03358 183 2S 0.49959 -0.19388 -0.08849 -0.14127 -0.02144 184 21 H 1S -0.02252 0.00654 -0.00527 -0.00415 -0.03358 185 2S -0.49962 0.19389 -0.08851 0.14128 -0.02139 186 22 O 1S -0.02002 0.00641 -0.00724 0.01461 0.01095 187 2S 0.01288 -0.00973 0.02668 -0.02298 0.00513 188 2PX 0.07991 0.00441 0.04028 -0.01020 -0.00260 189 2PY -0.00300 -0.00304 0.00241 0.00559 -0.00189 190 2PZ 0.08487 0.03151 0.02425 0.01383 0.01231 191 3S 0.41750 -0.11993 0.06521 -0.23754 -0.26948 192 3PX 0.10161 0.03492 0.01113 0.02663 0.00314 193 3PY -0.12031 0.04091 -0.03209 0.10557 0.09414 194 3PZ 0.12134 0.04344 0.02381 0.02808 0.01151 195 4XX -0.01455 0.00331 -0.00030 0.00826 0.01260 196 4YY 0.00010 -0.00217 0.00751 -0.00550 0.00110 197 4ZZ -0.01338 0.00181 0.00337 0.00442 0.01165 198 4XY 0.00171 0.00193 -0.00102 0.00467 0.00173 199 4XZ -0.00156 0.00006 -0.00201 0.00248 0.00114 200 4YZ 0.00368 0.00266 -0.00170 0.00610 0.00189 201 23 O 1S 0.02002 -0.00641 -0.00724 -0.01461 0.01095 202 2S -0.01288 0.00973 0.02668 0.02298 0.00513 203 2PX -0.07991 -0.00441 0.04028 0.01019 -0.00260 204 2PY -0.00300 -0.00304 -0.00240 0.00559 0.00189 205 2PZ -0.08486 -0.03151 0.02425 -0.01383 0.01231 206 3S -0.41750 0.11994 0.06521 0.23754 -0.26947 207 3PX -0.10161 -0.03492 0.01113 -0.02663 0.00314 208 3PY -0.12031 0.04091 0.03209 0.10557 -0.09414 209 3PZ -0.12134 -0.04344 0.02381 -0.02809 0.01151 210 4XX 0.01455 -0.00331 -0.00030 -0.00826 0.01260 211 4YY -0.00010 0.00217 0.00751 0.00550 0.00110 212 4ZZ 0.01338 -0.00181 0.00337 -0.00442 0.01165 213 4XY 0.00171 0.00193 0.00102 0.00467 -0.00173 214 4XZ 0.00156 -0.00006 -0.00201 -0.00248 0.00114 215 4YZ 0.00368 0.00266 0.00170 0.00610 -0.00189 61 62 63 64 65 V V V V V Eigenvalues -- 0.17079 0.18744 0.19216 0.21097 0.22012 1 1 C 1S 0.00503 0.00014 -0.03731 -0.03488 -0.00089 2 2S 0.00210 -0.01406 0.06337 0.02273 0.02507 3 2PX -0.00797 -0.08600 0.00707 -0.01744 0.13016 4 2PY 0.07427 0.04600 0.17757 0.11196 -0.10215 5 2PZ -0.04478 0.05150 0.07619 0.14917 -0.14908 6 3S -0.19798 0.01264 0.66020 0.85395 -0.05680 7 3PX -0.05062 -0.44151 -0.03656 0.04194 0.68205 8 3PY 0.22228 0.26618 0.59709 0.42546 -0.65404 9 3PZ -0.07756 0.32553 0.31561 0.27215 -0.68200 10 4XX -0.00015 0.00311 -0.00779 -0.00230 -0.00711 11 4YY 0.00188 -0.00756 0.00860 0.00255 0.01689 12 4ZZ -0.00231 0.00475 -0.00672 -0.00713 -0.00944 13 4XY 0.00285 0.00478 0.01100 0.01061 -0.01103 14 4XZ -0.00421 -0.00578 0.00239 0.00719 0.01167 15 4YZ 0.00002 -0.00640 -0.01417 -0.00818 0.01175 16 2 C 1S 0.00471 -0.01832 -0.02133 -0.04231 0.04283 17 2S 0.00970 -0.00780 0.05228 0.05414 -0.08298 18 2PX -0.04234 -0.00517 -0.05960 0.06563 0.07793 19 2PY 0.01700 -0.06416 0.12047 0.09635 0.07726 20 2PZ 0.02525 0.07962 -0.07318 -0.05017 -0.07048 21 3S -0.17801 0.52569 0.37401 0.67452 -0.87485 22 3PX -0.06887 -0.12895 0.07567 0.29867 0.30305 23 3PY 0.01305 -0.20417 0.51168 0.37164 0.42020 24 3PZ 0.11978 0.13546 -0.21961 -0.42533 -0.20097 25 4XX 0.00374 0.00246 0.00837 -0.00138 0.00381 26 4YY -0.00107 -0.00607 -0.01754 -0.02212 -0.00307 27 4ZZ 0.00009 -0.00457 0.00919 0.01055 0.00227 28 4XY 0.00071 -0.00720 -0.00394 -0.00727 0.01812 29 4XZ -0.00286 0.00672 -0.01255 -0.00321 -0.00026 30 4YZ 0.00010 0.00702 0.00516 0.00442 -0.01264 31 3 C 1S -0.00471 -0.01832 0.02133 0.04232 0.04283 32 2S -0.00970 -0.00780 -0.05228 -0.05414 -0.08298 33 2PX 0.04234 -0.00517 0.05960 -0.06563 0.07793 34 2PY 0.01700 0.06416 0.12047 0.09635 -0.07727 35 2PZ -0.02525 0.07962 0.07318 0.05017 -0.07048 36 3S 0.17800 0.52570 -0.37400 -0.67453 -0.87484 37 3PX 0.06887 -0.12895 -0.07567 -0.29866 0.30305 38 3PY 0.01304 0.20415 0.51168 0.37164 -0.42021 39 3PZ -0.11977 0.13546 0.21961 0.42533 -0.20097 40 4XX -0.00374 0.00246 -0.00837 0.00138 0.00381 41 4YY 0.00107 -0.00607 0.01754 0.02212 -0.00307 42 4ZZ -0.00009 -0.00457 -0.00919 -0.01055 0.00227 43 4XY 0.00071 0.00720 -0.00394 -0.00727 -0.01812 44 4XZ 0.00286 0.00672 0.01255 0.00321 -0.00026 45 4YZ 0.00010 -0.00702 0.00516 0.00442 0.01264 46 4 C 1S -0.00503 0.00013 0.03731 0.03488 -0.00089 47 2S -0.00210 -0.01405 -0.06337 -0.02273 0.02507 48 2PX 0.00797 -0.08600 -0.00707 0.01744 0.13016 49 2PY 0.07427 -0.04600 0.17757 0.11196 0.10215 50 2PZ 0.04478 0.05150 -0.07619 -0.14917 -0.14908 51 3S 0.19799 0.01266 -0.66019 -0.85395 -0.05678 52 3PX 0.05063 -0.44152 0.03655 -0.04194 0.68205 53 3PY 0.22228 -0.26620 0.59709 0.42547 0.65403 54 3PZ 0.07757 0.32554 -0.31560 -0.27215 -0.68199 55 4XX 0.00015 0.00311 0.00779 0.00230 -0.00711 56 4YY -0.00188 -0.00756 -0.00860 -0.00255 0.01689 57 4ZZ 0.00231 0.00475 0.00672 0.00713 -0.00944 58 4XY 0.00285 -0.00479 0.01100 0.01061 0.01103 59 4XZ 0.00421 -0.00578 -0.00239 -0.00719 0.01167 60 4YZ 0.00002 0.00640 -0.01417 -0.00818 -0.01175 61 5 H 1S 0.01677 -0.01440 0.07980 0.04192 0.03588 62 2S 0.35843 0.08367 0.44152 0.14881 -0.25661 63 6 H 1S 0.01267 0.01143 0.05891 -0.00201 -0.06235 64 2S 0.22905 -0.08194 0.11141 -0.43477 0.15251 65 7 H 1S -0.01267 0.01143 -0.05891 0.00201 -0.06235 66 2S -0.22903 -0.08194 -0.11141 0.43478 0.15251 67 8 H 1S -0.01677 -0.01440 -0.07980 -0.04192 0.03588 68 2S -0.35844 0.08367 -0.44152 -0.14881 -0.25661 69 9 C 1S 0.00000 0.02651 0.00000 0.00000 -0.06384 70 2S 0.00000 -0.00938 0.00000 0.00000 0.04526 71 2PX -0.00001 -0.00162 0.00000 0.00000 0.04466 72 2PY -0.00349 0.00000 0.23477 0.20614 0.00000 73 2PZ 0.00000 0.11193 0.00000 0.00000 -0.18918 74 3S 0.00000 -0.66064 -0.00001 0.00000 1.49241 75 3PX -0.00002 -0.01611 0.00000 0.00000 0.28213 76 3PY -0.00434 -0.00002 0.96164 0.90390 -0.00001 77 3PZ 0.00000 0.56068 0.00000 -0.00001 -1.08941 78 4XX 0.00000 -0.00858 0.00000 0.00000 0.01916 79 4YY 0.00000 0.01247 0.00000 0.00000 -0.02696 80 4ZZ 0.00000 0.00172 0.00000 0.00000 -0.00044 81 4XY 0.00182 0.00000 -0.01324 -0.01374 0.00000 82 4XZ 0.00000 -0.00030 0.00000 0.00000 -0.00212 83 4YZ 0.00256 0.00000 0.01854 0.01894 0.00000 84 10 H 1S 0.00000 -0.05217 0.00000 0.00000 0.10394 85 2S -0.00003 -0.06301 0.00000 0.00000 0.28149 86 11 H 1S 0.00000 -0.02493 0.00000 0.00000 0.04907 87 2S 0.00001 -0.28703 0.00000 0.00000 0.30645 88 12 C 1S 0.00350 0.05054 0.04582 -0.04989 0.01342 89 2S -0.03509 -0.07478 -0.07532 0.07329 -0.02677 90 2PX 0.10018 0.11036 0.00438 -0.01026 0.05750 91 2PY -0.05337 -0.07125 -0.00142 0.04416 -0.00413 92 2PZ 0.07723 -0.04000 0.15002 -0.19283 -0.09273 93 3S 0.32477 -0.82644 -0.71081 0.75983 -0.16078 94 3PX 0.02521 0.35057 -0.19546 0.27506 0.32752 95 3PY -0.33535 -0.35595 0.00372 0.23670 -0.00127 96 3PZ 0.29460 -0.23272 0.58438 -0.68621 -0.24418 97 4XX 0.00907 0.01568 0.00532 -0.00708 0.00588 98 4YY -0.00531 -0.01173 0.01071 -0.00703 -0.00628 99 4ZZ -0.00245 0.00309 -0.00727 0.00309 0.00285 100 4XY 0.00590 -0.01578 0.00045 0.00059 -0.00395 101 4XZ -0.00686 -0.00741 0.00208 0.00133 -0.00756 102 4YZ 0.00134 0.01545 0.00625 -0.00787 0.00749 103 13 C 1S -0.00350 0.05054 -0.04582 0.04989 0.01342 104 2S 0.03509 -0.07478 0.07532 -0.07329 -0.02677 105 2PX -0.10018 0.11036 -0.00437 0.01026 0.05750 106 2PY -0.05337 0.07125 -0.00142 0.04416 0.00413 107 2PZ -0.07723 -0.04000 -0.15002 0.19282 -0.09273 108 3S -0.32477 -0.82645 0.71079 -0.75984 -0.16077 109 3PX -0.02521 0.35057 0.19547 -0.27505 0.32752 110 3PY -0.33536 0.35594 0.00373 0.23671 0.00127 111 3PZ -0.29461 -0.23270 -0.58439 0.68621 -0.24419 112 4XX -0.00907 0.01568 -0.00532 0.00708 0.00588 113 4YY 0.00531 -0.01173 -0.01071 0.00703 -0.00628 114 4ZZ 0.00245 0.00309 0.00727 -0.00309 0.00285 115 4XY 0.00590 0.01578 0.00045 0.00059 0.00395 116 4XZ 0.00686 -0.00741 -0.00209 -0.00133 -0.00756 117 4YZ 0.00134 -0.01545 0.00625 -0.00787 -0.00749 118 14 C 1S 0.01967 -0.10312 0.00130 -0.00647 -0.05494 119 2S -0.07944 0.14531 0.00141 0.02385 0.10514 120 2PX 0.10609 -0.02723 0.01528 0.00067 -0.00155 121 2PY -0.08909 0.16137 -0.01015 0.03668 0.10190 122 2PZ 0.03213 0.00867 0.11461 -0.08196 0.05718 123 3S 0.12836 1.76602 0.04074 0.00760 0.76930 124 3PX 0.12541 -0.05532 0.10453 -0.07721 -0.01839 125 3PY 0.32313 0.37171 0.07236 -0.07622 0.60429 126 3PZ 0.12612 0.05604 0.15534 -0.16981 0.12243 127 4XX 0.00892 -0.00643 -0.00055 -0.00050 -0.00525 128 4YY -0.01064 -0.01101 0.00063 0.00577 -0.00800 129 4ZZ 0.00305 -0.00013 0.00286 -0.00417 0.00067 130 4XY -0.00114 -0.00157 0.00139 0.00131 -0.00114 131 4XZ -0.01162 0.01505 -0.00331 0.00497 0.00180 132 4YZ -0.00066 -0.00255 -0.00105 0.00319 -0.00066 133 15 C 1S -0.07486 0.04665 0.02316 -0.01844 0.02775 134 2S 0.16109 -0.06446 -0.02665 0.03428 -0.05147 135 2PX -0.15529 -0.10498 0.02015 -0.00833 -0.07759 136 2PY -0.09744 0.07502 0.00059 0.00623 0.00742 137 2PZ 0.03091 0.10298 -0.06688 0.09174 0.02699 138 3S 0.58498 -0.81873 -0.43927 0.40477 -0.49484 139 3PX -0.89842 -0.39955 0.10168 -0.13407 -0.33128 140 3PY -0.58976 0.38037 -0.00716 0.05106 0.19628 141 3PZ 0.49294 0.31829 -0.22735 0.22789 0.23132 142 4XX 0.00021 0.00761 0.00261 0.00155 0.01159 143 4YY -0.00981 -0.01067 0.00814 -0.00591 -0.00959 144 4ZZ -0.00393 0.00921 -0.00383 0.00553 0.00173 145 4XY 0.00758 -0.02133 -0.00334 0.00207 -0.01407 146 4XZ 0.00784 -0.01168 0.00131 -0.00482 -0.00626 147 4YZ -0.00283 0.01608 0.00269 -0.00453 0.00766 148 16 C 1S 0.07486 0.04666 -0.02315 0.01844 0.02775 149 2S -0.16109 -0.06446 0.02665 -0.03428 -0.05147 150 2PX 0.15529 -0.10498 -0.02016 0.00833 -0.07759 151 2PY -0.09744 -0.07502 0.00058 0.00623 -0.00742 152 2PZ -0.03091 0.10297 0.06688 -0.09174 0.02699 153 3S -0.58499 -0.81874 0.43924 -0.40478 -0.49483 154 3PX 0.89841 -0.39956 -0.10170 0.13407 -0.33129 155 3PY -0.58977 -0.38037 -0.00717 0.05105 -0.19628 156 3PZ -0.49294 0.31829 0.22736 -0.22789 0.23132 157 4XX -0.00021 0.00761 -0.00261 -0.00155 0.01159 158 4YY 0.00981 -0.01068 -0.00814 0.00591 -0.00959 159 4ZZ 0.00393 0.00921 0.00383 -0.00553 0.00173 160 4XY 0.00758 0.02133 -0.00334 0.00207 0.01407 161 4XZ -0.00784 -0.01168 -0.00131 0.00482 -0.00626 162 4YZ -0.00283 -0.01608 0.00269 -0.00453 -0.00766 163 17 C 1S -0.01967 -0.10312 -0.00130 0.00647 -0.05494 164 2S 0.07944 0.14531 -0.00141 -0.02385 0.10514 165 2PX -0.10609 -0.02723 -0.01528 -0.00068 -0.00155 166 2PY -0.08909 -0.16137 -0.01016 0.03668 -0.10190 167 2PZ -0.03213 0.00867 -0.11461 0.08196 0.05718 168 3S -0.12836 1.76603 -0.04069 -0.00758 0.76930 169 3PX -0.12540 -0.05532 -0.10453 0.07720 -0.01839 170 3PY 0.32312 -0.37171 0.07235 -0.07623 -0.60428 171 3PZ -0.12612 0.05604 -0.15533 0.16981 0.12243 172 4XX -0.00892 -0.00643 0.00055 0.00050 -0.00525 173 4YY 0.01064 -0.01101 -0.00063 -0.00577 -0.00800 174 4ZZ -0.00305 -0.00013 -0.00286 0.00417 0.00067 175 4XY -0.00114 0.00157 0.00139 0.00131 0.00114 176 4XZ 0.01162 0.01505 0.00331 -0.00497 0.00180 177 4YZ -0.00066 0.00255 -0.00105 0.00319 0.00066 178 18 H 1S 0.01831 -0.02341 0.00483 -0.02684 -0.00864 179 2S 0.29105 0.15411 0.85441 -1.17951 -0.31478 180 19 H 1S -0.01831 -0.02341 -0.00483 0.02684 -0.00864 181 2S -0.29106 0.15413 -0.85441 1.17951 -0.31479 182 20 H 1S -0.05952 -0.03166 0.00969 0.00407 -0.01643 183 2S -1.58536 -0.00713 0.39491 -0.36426 -0.08099 184 21 H 1S 0.05952 -0.03166 -0.00969 -0.00407 -0.01643 185 2S 1.58536 -0.00712 -0.39491 0.36426 -0.08098 186 22 O 1S 0.00470 0.01436 0.00282 -0.00160 -0.01003 187 2S 0.01128 -0.02188 0.00146 0.00030 0.00087 188 2PX 0.07923 -0.00366 -0.00823 0.01892 0.00327 189 2PY -0.01129 0.07592 0.00745 0.00785 0.02663 190 2PZ 0.01083 -0.00541 0.08016 -0.06626 -0.00570 191 3S -0.19013 -0.19959 -0.06698 0.05637 0.26535 192 3PX 0.05713 0.01042 0.01543 -0.00992 0.01317 193 3PY 0.04044 0.15261 0.02729 -0.01662 -0.05925 194 3PZ 0.03131 -0.01148 0.07377 -0.06811 -0.01865 195 4XX 0.00562 0.00267 0.00312 -0.00080 -0.01061 196 4YY 0.00313 0.00276 0.00187 0.00194 0.00389 197 4ZZ 0.00749 0.00689 0.00284 -0.00147 -0.00892 198 4XY 0.00299 0.00120 0.00001 -0.00068 -0.00177 199 4XZ -0.00202 0.00788 -0.00193 0.00023 0.00216 200 4YZ 0.00140 0.00154 0.00323 -0.00222 -0.00207 201 23 O 1S -0.00470 0.01436 -0.00282 0.00160 -0.01003 202 2S -0.01128 -0.02188 -0.00146 -0.00030 0.00087 203 2PX -0.07923 -0.00366 0.00823 -0.01892 0.00327 204 2PY -0.01129 -0.07592 0.00745 0.00784 -0.02663 205 2PZ -0.01082 -0.00541 -0.08016 0.06626 -0.00570 206 3S 0.19014 -0.19959 0.06697 -0.05637 0.26535 207 3PX -0.05713 0.01042 -0.01543 0.00993 0.01317 208 3PY 0.04044 -0.15261 0.02729 -0.01662 0.05925 209 3PZ -0.03131 -0.01148 -0.07377 0.06811 -0.01865 210 4XX -0.00562 0.00267 -0.00312 0.00080 -0.01061 211 4YY -0.00313 0.00276 -0.00187 -0.00194 0.00389 212 4ZZ -0.00749 0.00689 -0.00284 0.00147 -0.00892 213 4XY 0.00299 -0.00120 0.00001 -0.00068 0.00177 214 4XZ 0.00202 0.00788 0.00193 -0.00023 0.00216 215 4YZ 0.00140 -0.00154 0.00323 -0.00222 0.00207 66 67 68 69 70 V V V V V Eigenvalues -- 0.25351 0.28248 0.29461 0.29980 0.32264 1 1 C 1S 0.01674 -0.07957 0.01565 -0.00356 -0.03478 2 2S -0.01896 0.03621 0.00342 0.00149 -0.00491 3 2PX -0.05519 0.13404 -0.09963 0.08646 -0.09892 4 2PY 0.02103 0.16174 0.02497 -0.02840 0.13431 5 2PZ -0.06588 -0.08684 0.02374 0.02886 0.03426 6 3S -0.30633 2.45631 -0.46515 -0.00141 1.46040 7 3PX 0.00589 0.68243 -0.16518 0.02156 0.84692 8 3PY 0.14509 1.68609 0.14611 -0.17925 1.15690 9 3PZ -0.03699 -0.20613 0.20202 -0.02563 -0.59626 10 4XX 0.00217 -0.01071 -0.00186 0.00526 -0.01010 11 4YY 0.00272 0.00487 0.00141 -0.00996 0.01178 12 4ZZ 0.00111 -0.00165 0.00669 -0.00270 0.00187 13 4XY -0.00673 -0.00546 0.00479 0.00049 -0.01301 14 4XZ -0.00404 -0.00815 -0.00080 0.00227 -0.00704 15 4YZ -0.00417 -0.00537 -0.00507 0.00612 0.02233 16 2 C 1S 0.00305 0.04146 -0.01359 0.00020 0.06234 17 2S 0.00313 -0.01191 0.04739 0.06473 0.01351 18 2PX 0.01433 0.07736 -0.03190 -0.04309 0.09867 19 2PY -0.00196 -0.07593 0.01388 0.04575 -0.05903 20 2PZ 0.04878 -0.04044 -0.01043 -0.05585 -0.09417 21 3S -0.21934 -1.33480 0.34706 -0.10963 -2.90025 22 3PX 0.04911 1.01288 -0.17866 -0.04950 1.22175 23 3PY -0.25246 0.20660 -0.20202 0.03491 -1.48823 24 3PZ 0.06859 -0.76863 0.12886 0.01151 -1.01367 25 4XX 0.00556 0.02545 0.00071 -0.00806 -0.00306 26 4YY -0.00269 -0.01917 0.00819 0.01233 -0.00022 27 4ZZ -0.00382 0.00061 -0.00246 0.00828 -0.00065 28 4XY -0.00060 0.00833 -0.01021 0.00434 -0.00752 29 4XZ 0.00683 -0.01547 0.00016 -0.01220 0.01307 30 4YZ -0.00162 -0.01578 0.01058 -0.00590 0.00793 31 3 C 1S -0.00305 0.04146 -0.01358 0.00020 -0.06235 32 2S -0.00313 -0.01191 0.04739 0.06473 -0.01351 33 2PX -0.01433 0.07736 -0.03190 -0.04309 -0.09867 34 2PY -0.00196 0.07593 -0.01388 -0.04575 -0.05903 35 2PZ -0.04878 -0.04044 -0.01043 -0.05585 0.09417 36 3S 0.21935 -1.33480 0.34704 -0.10966 2.90026 37 3PX -0.04912 1.01287 -0.17865 -0.04948 -1.22175 38 3PY -0.25246 -0.20660 0.20203 -0.03490 -1.48822 39 3PZ -0.06859 -0.76863 0.12885 0.01150 1.01368 40 4XX -0.00556 0.02545 0.00071 -0.00806 0.00306 41 4YY 0.00269 -0.01917 0.00819 0.01233 0.00022 42 4ZZ 0.00382 0.00061 -0.00246 0.00828 0.00065 43 4XY -0.00060 -0.00833 0.01021 -0.00434 -0.00752 44 4XZ -0.00683 -0.01547 0.00016 -0.01220 -0.01307 45 4YZ -0.00162 0.01578 -0.01058 0.00590 0.00793 46 4 C 1S -0.01674 -0.07957 0.01565 -0.00356 0.03478 47 2S 0.01896 0.03620 0.00342 0.00149 0.00491 48 2PX 0.05519 0.13404 -0.09963 0.08646 0.09892 49 2PY 0.02103 -0.16174 -0.02497 0.02840 0.13431 50 2PZ 0.06588 -0.08684 0.02374 0.02886 -0.03426 51 3S 0.30632 2.45631 -0.46514 -0.00139 -1.46041 52 3PX -0.00589 0.68242 -0.16517 0.02157 -0.84692 53 3PY 0.14509 -1.68609 -0.14612 0.17924 1.15692 54 3PZ 0.03699 -0.20612 0.20202 -0.02564 0.59625 55 4XX -0.00217 -0.01071 -0.00186 0.00526 0.01010 56 4YY -0.00272 0.00487 0.00141 -0.00996 -0.01178 57 4ZZ -0.00111 -0.00165 0.00669 -0.00270 -0.00187 58 4XY -0.00673 0.00546 -0.00479 -0.00049 -0.01301 59 4XZ 0.00404 -0.00815 -0.00080 0.00227 0.00704 60 4YZ -0.00417 0.00537 0.00507 -0.00612 0.02233 61 5 H 1S 0.02335 -0.00005 0.01863 -0.04654 -0.00175 62 2S 0.31470 0.81110 0.24044 -0.17684 0.73475 63 6 H 1S -0.02432 -0.02286 0.04984 0.01438 0.00802 64 2S -0.03048 -0.45310 -0.02977 0.07788 -0.96520 65 7 H 1S 0.02432 -0.02286 0.04984 0.01438 -0.00802 66 2S 0.03048 -0.45310 -0.02978 0.07787 0.96520 67 8 H 1S -0.02335 -0.00005 0.01863 -0.04654 0.00175 68 2S -0.31470 0.81110 0.24045 -0.17683 -0.73475 69 9 C 1S 0.00000 0.06604 0.01791 -0.00953 0.00000 70 2S 0.00000 0.05007 -0.05721 -0.00734 0.00000 71 2PX 0.00000 -0.03235 0.07814 -0.04111 0.00000 72 2PY -0.02732 0.00000 0.00000 0.00000 -0.19964 73 2PZ 0.00000 0.09254 0.03750 -0.00443 0.00000 74 3S 0.00000 -2.22491 -0.23778 0.22341 0.00000 75 3PX 0.00000 -0.96544 0.13660 0.00327 0.00000 76 3PY -0.10079 0.00000 0.00000 0.00000 0.49378 77 3PZ 0.00000 1.67988 0.11755 -0.21941 0.00000 78 4XX 0.00000 -0.01182 -0.00281 0.00247 0.00000 79 4YY 0.00000 -0.00324 0.00358 0.00096 0.00000 80 4ZZ 0.00000 0.02348 -0.00177 -0.00995 0.00000 81 4XY 0.01298 0.00000 0.00000 0.00000 -0.01202 82 4XZ 0.00000 -0.01293 0.00432 -0.00008 0.00000 83 4YZ -0.00083 0.00000 0.00000 0.00000 0.02197 84 10 H 1S 0.00000 -0.02312 0.00581 -0.01284 0.00000 85 2S 0.00000 -0.47070 0.20613 -0.02115 0.00000 86 11 H 1S 0.00000 -0.05365 -0.00955 0.00062 0.00000 87 2S 0.00000 -0.16619 -0.16612 0.12278 0.00000 88 12 C 1S 0.03488 0.00057 -0.03549 -0.04002 0.00252 89 2S -0.07508 0.01869 0.02441 0.04007 -0.06221 90 2PX 0.01162 -0.03047 -0.07099 -0.00011 0.16065 91 2PY 0.21390 0.02324 0.12460 -0.01857 -0.07322 92 2PZ 0.01800 0.05927 -0.00971 0.04616 -0.02812 93 3S -0.30091 -0.06263 0.90699 1.20344 0.76373 94 3PX -0.46546 -0.15061 0.00343 -0.61015 0.31329 95 3PY 0.73192 0.02062 0.67048 0.45189 -1.00095 96 3PZ 0.30716 0.04335 -0.04646 0.37072 -0.16142 97 4XX -0.01027 0.00104 -0.00048 -0.01760 0.00174 98 4YY 0.03441 -0.00164 -0.00902 0.00989 -0.00221 99 4ZZ -0.01562 -0.00018 0.00676 0.00109 0.00223 100 4XY -0.00263 0.00190 0.03439 0.01117 0.00608 101 4XZ 0.01035 0.00131 -0.00940 0.01462 -0.00072 102 4YZ 0.00219 -0.00780 -0.02683 -0.01430 0.00067 103 13 C 1S -0.03488 0.00057 -0.03549 -0.04002 -0.00252 104 2S 0.07508 0.01869 0.02441 0.04007 0.06222 105 2PX -0.01162 -0.03047 -0.07099 -0.00011 -0.16065 106 2PY 0.21390 -0.02324 -0.12460 0.01857 -0.07321 107 2PZ -0.01800 0.05927 -0.00971 0.04616 0.02812 108 3S 0.30091 -0.06264 0.90699 1.20344 -0.76370 109 3PX 0.46547 -0.15061 0.00343 -0.61014 -0.31331 110 3PY 0.73192 -0.02063 -0.67048 -0.45187 -1.00096 111 3PZ -0.30716 0.04335 -0.04646 0.37072 0.16143 112 4XX 0.01027 0.00104 -0.00048 -0.01760 -0.00174 113 4YY -0.03441 -0.00164 -0.00902 0.00989 0.00221 114 4ZZ 0.01562 -0.00018 0.00676 0.00109 -0.00223 115 4XY -0.00263 -0.00190 -0.03439 -0.01117 0.00608 116 4XZ -0.01035 0.00131 -0.00940 0.01462 0.00072 117 4YZ 0.00219 0.00780 0.02683 0.01430 0.00067 118 14 C 1S -0.01128 0.00174 0.03058 -0.01432 0.05017 119 2S 0.01209 0.02926 -0.03124 0.00053 0.03616 120 2PX -0.00751 -0.02434 -0.24314 -0.29377 0.03899 121 2PY 0.15684 0.02490 0.09348 -0.07664 0.02246 122 2PZ 0.03777 0.08927 0.13630 0.20724 0.09379 123 3S 0.58389 -0.10347 -0.73617 0.43752 -1.56878 124 3PX 0.06614 -0.07208 -0.64304 -1.07669 0.02055 125 3PY 1.23719 0.07434 1.34662 -1.15885 0.58880 126 3PZ 0.18516 0.11614 0.63049 0.57958 0.07448 127 4XX -0.01910 -0.00132 -0.00317 0.00644 0.00699 128 4YY 0.02639 0.00692 0.00633 -0.00420 0.00716 129 4ZZ -0.01598 -0.00089 -0.01243 0.00758 0.00249 130 4XY 0.00699 0.00249 0.00405 0.00332 -0.00016 131 4XZ 0.00847 -0.00772 -0.00861 0.00683 -0.02972 132 4YZ 0.00105 -0.00134 -0.00112 -0.00206 0.00272 133 15 C 1S -0.01627 0.00503 0.02453 0.03473 -0.00634 134 2S 0.06663 0.03807 -0.01617 -0.03656 0.09751 135 2PX -0.06993 0.01726 -0.04612 -0.02213 0.13829 136 2PY 0.13369 0.01323 -0.07352 0.12542 -0.06496 137 2PZ 0.02142 0.01228 -0.00855 0.03243 -0.07496 138 3S 0.07897 -0.16712 -0.82237 -1.05199 -0.67726 139 3PX -0.74213 -0.06989 -0.49789 -0.01393 0.17270 140 3PY 0.52276 0.05067 0.28344 0.73023 -0.65301 141 3PZ 0.46582 0.04119 0.38406 0.06188 -0.24261 142 4XX 0.01804 0.00444 0.01424 -0.00890 0.00827 143 4YY -0.02353 0.00610 -0.00947 0.00676 0.01172 144 4ZZ 0.00791 0.00046 0.00635 -0.00094 -0.00014 145 4XY 0.00473 -0.00518 -0.00428 -0.03485 -0.00781 146 4XZ -0.01220 -0.00831 -0.01545 0.00558 -0.00047 147 4YZ -0.00158 0.00100 0.00394 0.02813 0.00280 148 16 C 1S 0.01627 0.00503 0.02453 0.03473 0.00634 149 2S -0.06663 0.03807 -0.01616 -0.03656 -0.09751 150 2PX 0.06993 0.01726 -0.04612 -0.02213 -0.13829 151 2PY 0.13369 -0.01323 0.07352 -0.12542 -0.06496 152 2PZ -0.02142 0.01228 -0.00855 0.03243 0.07496 153 3S -0.07897 -0.16712 -0.82238 -1.05201 0.67724 154 3PX 0.74213 -0.06989 -0.49790 -0.01394 -0.17271 155 3PY 0.52276 -0.05067 -0.28344 -0.73022 -0.65302 156 3PZ -0.46582 0.04119 0.38407 0.06188 0.24261 157 4XX -0.01804 0.00444 0.01424 -0.00890 -0.00827 158 4YY 0.02353 0.00610 -0.00947 0.00676 -0.01172 159 4ZZ -0.00791 0.00046 0.00635 -0.00094 0.00014 160 4XY 0.00473 0.00518 0.00428 0.03486 -0.00780 161 4XZ 0.01220 -0.00831 -0.01545 0.00558 0.00047 162 4YZ -0.00158 -0.00100 -0.00394 -0.02813 0.00280 163 17 C 1S 0.01128 0.00174 0.03058 -0.01432 -0.05017 164 2S -0.01209 0.02926 -0.03124 0.00053 -0.03616 165 2PX 0.00751 -0.02434 -0.24314 -0.29376 -0.03899 166 2PY 0.15684 -0.02490 -0.09348 0.07665 0.02246 167 2PZ -0.03777 0.08927 0.13630 0.20724 -0.09379 168 3S -0.58389 -0.10346 -0.73618 0.43749 1.56877 169 3PX -0.06613 -0.07208 -0.64306 -1.07668 -0.02057 170 3PY 1.23719 -0.07433 -1.34662 1.15886 0.58880 171 3PZ -0.18516 0.11614 0.63049 0.57958 -0.07447 172 4XX 0.01910 -0.00132 -0.00317 0.00644 -0.00699 173 4YY -0.02639 0.00692 0.00633 -0.00420 -0.00716 174 4ZZ 0.01598 -0.00089 -0.01243 0.00758 -0.00249 175 4XY 0.00699 -0.00249 -0.00405 -0.00332 -0.00016 176 4XZ -0.00848 -0.00772 -0.00861 0.00683 0.02972 177 4YZ 0.00105 0.00134 0.00112 0.00206 0.00272 178 18 H 1S -0.05374 0.02442 0.11556 0.02115 0.01907 179 2S -0.05196 0.20541 -0.49045 -0.01098 -0.02978 180 19 H 1S 0.05374 0.02442 0.11556 0.02115 -0.01907 181 2S 0.05196 0.20541 -0.49045 -0.01098 0.02978 182 20 H 1S 0.06404 0.00231 0.01293 -0.12395 -0.00918 183 2S -0.27396 0.01334 -0.17942 0.52304 0.15942 184 21 H 1S -0.06404 0.00231 0.01293 -0.12396 0.00918 185 2S 0.27396 0.01334 -0.17942 0.52304 -0.15942 186 22 O 1S 0.05617 -0.00604 -0.06377 0.05179 0.03605 187 2S -0.09805 0.00731 0.06417 -0.04681 0.00086 188 2PX -0.01099 0.00273 0.04957 0.06662 0.01299 189 2PY 0.11814 -0.02208 -0.09649 0.07400 0.06746 190 2PZ 0.00757 -0.02139 -0.03324 -0.04628 0.00562 191 3S -0.89302 0.10038 1.26610 -1.07137 -0.87923 192 3PX -0.04459 0.01832 0.20760 0.16654 -0.01982 193 3PY 0.37646 -0.04894 -0.51919 0.43947 0.36822 194 3PZ 0.00313 -0.03261 -0.07355 -0.17020 -0.01176 195 4XX 0.02149 -0.00476 -0.03494 0.02957 0.02628 196 4YY -0.00524 -0.00235 0.00234 -0.00073 0.01407 197 4ZZ 0.01892 -0.00207 -0.03778 0.03167 0.03233 198 4XY 0.00079 0.00148 0.00090 0.00749 0.00387 199 4XZ -0.00744 -0.00094 0.00029 -0.00021 0.01059 200 4YZ 0.00186 -0.00327 -0.00428 -0.00118 0.00668 201 23 O 1S -0.05617 -0.00604 -0.06377 0.05179 -0.03605 202 2S 0.09805 0.00731 0.06417 -0.04681 -0.00086 203 2PX 0.01099 0.00273 0.04958 0.06662 -0.01299 204 2PY 0.11814 0.02208 0.09649 -0.07401 0.06746 205 2PZ -0.00757 -0.02139 -0.03324 -0.04628 -0.00562 206 3S 0.89302 0.10039 1.26610 -1.07138 0.87922 207 3PX 0.04460 0.01832 0.20760 0.16654 0.01983 208 3PY 0.37647 0.04894 0.51919 -0.43948 0.36822 209 3PZ -0.00313 -0.03261 -0.07355 -0.17020 0.01176 210 4XX -0.02149 -0.00476 -0.03494 0.02957 -0.02628 211 4YY 0.00524 -0.00235 0.00234 -0.00073 -0.01407 212 4ZZ -0.01892 -0.00207 -0.03778 0.03167 -0.03233 213 4XY 0.00079 -0.00148 -0.00090 -0.00749 0.00387 214 4XZ 0.00744 -0.00094 0.00029 -0.00021 -0.01058 215 4YZ 0.00186 0.00327 0.00428 0.00118 0.00668 71 72 73 74 75 V V V V V Eigenvalues -- 0.34275 0.36389 0.39855 0.45834 0.46696 1 1 C 1S -0.00017 0.01701 0.03391 0.02705 -0.00949 2 2S -0.02659 -0.00245 0.00202 0.01382 0.02311 3 2PX -0.03573 0.07222 -0.08024 -0.15239 -0.27913 4 2PY 0.00624 -0.10131 0.00158 0.03389 0.10425 5 2PZ 0.05917 -0.19765 0.14157 0.04538 0.08922 6 3S 0.01841 -0.38540 -1.38105 -0.87158 0.07043 7 3PX -0.15124 0.40562 -1.13138 -0.42568 0.26909 8 3PY 0.23219 -0.68847 -0.28309 -0.20326 0.10650 9 3PZ 0.22973 -0.50908 1.04779 0.55609 -0.09398 10 4XX 0.00666 -0.00532 0.02036 0.00362 -0.02002 11 4YY -0.00563 0.00351 -0.01067 0.00337 0.01417 12 4ZZ -0.00345 0.00438 -0.00398 0.00729 0.01807 13 4XY -0.01228 0.00955 0.00551 0.01056 -0.01010 14 4XZ 0.00034 0.00556 -0.01042 -0.01159 0.01354 15 4YZ -0.00358 -0.00917 -0.01782 -0.00585 0.01886 16 2 C 1S 0.01817 -0.04884 -0.03266 -0.03234 -0.00383 17 2S -0.01965 0.02652 0.02575 0.02838 -0.16971 18 2PX -0.02318 0.05911 -0.16494 -0.05330 0.12868 19 2PY -0.09314 0.19696 -0.15450 0.00843 0.11682 20 2PZ -0.01060 0.03742 0.09690 0.10199 -0.07675 21 3S -0.67454 1.76892 1.20286 0.89650 0.16749 22 3PX -0.10128 0.08351 -1.34899 -0.68698 -0.14367 23 3PY -0.89466 2.07399 -0.59276 -0.06514 -0.19070 24 3PZ 0.01306 0.03494 0.91171 0.45675 0.11457 25 4XX -0.00712 0.01367 -0.01145 0.00296 -0.01492 26 4YY 0.00719 -0.01528 0.01448 -0.00898 -0.00597 27 4ZZ -0.00124 -0.00070 0.00033 -0.00133 -0.01771 28 4XY -0.00038 0.00244 0.00160 -0.00089 0.00379 29 4XZ 0.00630 -0.00715 0.00039 0.01270 0.03293 30 4YZ -0.00069 -0.00360 -0.00180 0.00152 0.00800 31 3 C 1S -0.01817 0.04884 0.03266 0.03234 -0.00383 32 2S 0.01965 -0.02652 -0.02575 -0.02837 -0.16971 33 2PX 0.02318 -0.05911 0.16494 0.05330 0.12868 34 2PY -0.09314 0.19696 -0.15450 0.00843 -0.11682 35 2PZ 0.01060 -0.03742 -0.09690 -0.10199 -0.07676 36 3S 0.67454 -1.76892 -1.20287 -0.89650 0.16749 37 3PX 0.10129 -0.08351 1.34899 0.68698 -0.14367 38 3PY -0.89466 2.07399 -0.59277 -0.06514 0.19070 39 3PZ -0.01306 -0.03494 -0.91171 -0.45675 0.11456 40 4XX 0.00712 -0.01367 0.01145 -0.00296 -0.01492 41 4YY -0.00719 0.01528 -0.01448 0.00898 -0.00597 42 4ZZ 0.00124 0.00070 -0.00033 0.00133 -0.01771 43 4XY -0.00038 0.00244 0.00160 -0.00089 -0.00379 44 4XZ -0.00630 0.00715 -0.00039 -0.01270 0.03293 45 4YZ -0.00069 -0.00360 -0.00180 0.00152 -0.00800 46 4 C 1S 0.00017 -0.01701 -0.03391 -0.02705 -0.00949 47 2S 0.02659 0.00245 -0.00202 -0.01382 0.02311 48 2PX 0.03573 -0.07222 0.08024 0.15239 -0.27913 49 2PY 0.00624 -0.10131 0.00158 0.03389 -0.10425 50 2PZ -0.05917 0.19765 -0.14157 -0.04538 0.08922 51 3S -0.01840 0.38539 1.38106 0.87158 0.07043 52 3PX 0.15124 -0.40562 1.13138 0.42568 0.26909 53 3PY 0.23218 -0.68846 -0.28310 -0.20326 -0.10650 54 3PZ -0.22973 0.50909 -1.04779 -0.55610 -0.09398 55 4XX -0.00666 0.00532 -0.02036 -0.00362 -0.02002 56 4YY 0.00563 -0.00351 0.01066 -0.00337 0.01417 57 4ZZ 0.00345 -0.00438 0.00398 -0.00729 0.01807 58 4XY -0.01228 0.00955 0.00551 0.01056 0.01010 59 4XZ -0.00034 -0.00556 0.01042 0.01159 0.01354 60 4YZ -0.00358 -0.00917 -0.01782 -0.00585 -0.01886 61 5 H 1S -0.02442 0.05841 -0.00376 0.02497 -0.08675 62 2S 0.09581 -0.19492 -0.20926 -0.05107 0.10657 63 6 H 1S -0.01525 -0.00434 -0.02460 -0.05770 -0.06675 64 2S -0.20449 0.48711 0.40613 0.28733 0.01453 65 7 H 1S 0.01525 0.00434 0.02460 0.05770 -0.06675 66 2S 0.20448 -0.48711 -0.40613 -0.28733 0.01453 67 8 H 1S 0.02442 -0.05841 0.00375 -0.02497 -0.08675 68 2S -0.09581 0.19491 0.20926 0.05107 0.10657 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.03494 70 2S 0.00000 0.00000 0.00000 0.00000 0.03942 71 2PX 0.00000 0.00000 0.00000 0.00000 -0.06698 72 2PY 0.06163 -0.08861 0.24484 0.04659 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 -0.23739 74 3S -0.00001 0.00000 0.00000 0.00000 -0.36165 75 3PX 0.00000 0.00000 0.00000 0.00000 0.08858 76 3PY 0.34037 -1.10121 0.53083 0.25468 0.00000 77 3PZ 0.00000 0.00000 0.00000 0.00000 0.76368 78 4XX 0.00000 0.00000 0.00000 0.00000 -0.00996 79 4YY 0.00000 0.00000 0.00000 0.00000 0.03711 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.01493 81 4XY 0.00662 0.00313 0.02113 0.00987 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 -0.04963 83 4YZ 0.00723 -0.02806 0.00791 0.00635 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.10566 85 2S 0.00000 0.00000 0.00000 0.00000 0.11987 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.23846 87 2S 0.00000 0.00000 0.00000 0.00000 -0.08463 88 12 C 1S 0.08550 0.04197 0.02570 -0.07423 -0.00690 89 2S -0.10726 -0.09333 -0.05437 0.00814 0.16163 90 2PX 0.08131 0.18519 0.08468 0.09542 -0.26378 91 2PY 0.17687 0.00755 -0.06498 -0.17720 -0.14653 92 2PZ -0.11934 -0.12391 -0.08264 0.05214 -0.01756 93 3S -1.93756 -0.42933 -0.39035 2.96671 0.18826 94 3PX 0.48165 0.45062 0.43630 -1.17641 0.20511 95 3PY 1.46715 0.02733 -0.08344 -1.83482 0.32506 96 3PZ -0.46280 -0.42843 -0.29371 0.72284 0.15872 97 4XX -0.00432 -0.00559 0.00565 -0.00094 0.02113 98 4YY 0.03001 0.00624 -0.00914 -0.01660 0.03850 99 4ZZ -0.01165 -0.00074 -0.00303 0.01201 -0.03908 100 4XY -0.00229 0.00324 0.00366 0.00717 -0.00223 101 4XZ -0.00501 -0.00372 -0.00511 0.00914 -0.01324 102 4YZ -0.00180 -0.00073 0.00075 0.00352 0.02771 103 13 C 1S -0.08550 -0.04197 -0.02570 0.07423 -0.00690 104 2S 0.10726 0.09333 0.05437 -0.00814 0.16163 105 2PX -0.08131 -0.18519 -0.08468 -0.09542 -0.26378 106 2PY 0.17688 0.00755 -0.06498 -0.17720 0.14653 107 2PZ 0.11934 0.12391 0.08264 -0.05214 -0.01756 108 3S 1.93756 0.42934 0.39035 -2.96672 0.18825 109 3PX -0.48164 -0.45062 -0.43630 1.17640 0.20513 110 3PY 1.46715 0.02733 -0.08343 -1.83482 -0.32504 111 3PZ 0.46280 0.42843 0.29371 -0.72285 0.15870 112 4XX 0.00432 0.00559 -0.00565 0.00094 0.02113 113 4YY -0.03001 -0.00624 0.00914 0.01660 0.03850 114 4ZZ 0.01165 0.00074 0.00303 -0.01201 -0.03908 115 4XY -0.00229 0.00324 0.00366 0.00717 0.00224 116 4XZ 0.00501 0.00372 0.00511 -0.00914 -0.01324 117 4YZ -0.00180 -0.00073 0.00075 0.00352 -0.02771 118 14 C 1S 0.00710 0.06712 0.08853 -0.05193 -0.00339 119 2S -0.03741 -0.04023 -0.15357 0.21814 0.29567 120 2PX -0.14716 -0.03777 0.00458 -0.11249 0.03010 121 2PY -0.05073 0.01266 -0.01987 0.15064 0.09124 122 2PZ 0.09088 0.02311 -0.13706 -0.04713 0.03513 123 3S -0.09009 -1.71667 -1.79444 0.57388 -0.57996 124 3PX -0.15606 0.07775 0.17982 0.15270 -0.20785 125 3PY -0.55182 0.15338 -0.26693 2.62190 0.15987 126 3PZ -0.01559 -0.04373 -0.09767 0.21496 0.05625 127 4XX -0.00105 0.00637 0.00706 0.03166 0.03130 128 4YY -0.00156 0.01076 0.01232 -0.04058 -0.00058 129 4ZZ 0.00261 -0.00460 -0.01329 0.01354 0.02082 130 4XY 0.02673 0.01170 -0.00462 -0.00049 -0.00345 131 4XZ 0.00408 -0.02330 -0.01325 -0.02861 -0.04173 132 4YZ -0.01720 -0.00436 0.01073 -0.01048 -0.00547 133 15 C 1S 0.06699 0.00466 -0.06021 0.10037 0.00183 134 2S -0.12629 0.02928 0.10674 -0.00701 0.20319 135 2PX -0.12080 0.07253 0.16676 -0.04269 0.09139 136 2PY -0.15572 -0.11038 -0.00323 -0.18688 0.06194 137 2PZ 0.09076 -0.07899 -0.14848 0.03277 -0.10157 138 3S -1.36539 -0.76259 0.92488 -3.94928 -0.25504 139 3PX -0.09582 0.36939 0.81302 -1.22569 -0.08196 140 3PY -1.27051 -1.09383 0.05548 -2.31188 -0.06699 141 3PZ 0.12232 -0.29695 -0.59866 0.86910 0.10427 142 4XX -0.01417 -0.00361 -0.00434 -0.00555 0.00375 143 4YY 0.03402 0.01562 -0.01215 0.03809 0.03343 144 4ZZ -0.01124 -0.00419 0.00662 -0.00323 0.00032 145 4XY 0.00123 -0.00183 0.00167 -0.00224 -0.02003 146 4XZ 0.00311 0.00366 0.01013 -0.01600 -0.00552 147 4YZ -0.00084 0.00400 0.00370 0.00493 0.01406 148 16 C 1S -0.06699 -0.00466 0.06021 -0.10037 0.00183 149 2S 0.12629 -0.02928 -0.10674 0.00701 0.20319 150 2PX 0.12080 -0.07253 -0.16676 0.04269 0.09138 151 2PY -0.15572 -0.11038 -0.00323 -0.18688 -0.06195 152 2PZ -0.09076 0.07899 0.14848 -0.03277 -0.10157 153 3S 1.36539 0.76258 -0.92488 3.94929 -0.25501 154 3PX 0.09581 -0.36940 -0.81302 1.22568 -0.08197 155 3PY -1.27051 -1.09383 0.05549 -2.31189 0.06694 156 3PZ -0.12232 0.29695 0.59866 -0.86910 0.10428 157 4XX 0.01417 0.00361 0.00434 0.00555 0.00375 158 4YY -0.03402 -0.01562 0.01215 -0.03809 0.03343 159 4ZZ 0.01124 0.00419 -0.00662 0.00323 0.00032 160 4XY 0.00123 -0.00183 0.00167 -0.00224 0.02003 161 4XZ -0.00311 -0.00366 -0.01013 0.01600 -0.00552 162 4YZ -0.00084 0.00400 0.00370 0.00493 -0.01406 163 17 C 1S -0.00710 -0.06712 -0.08853 0.05193 -0.00339 164 2S 0.03741 0.04023 0.15357 -0.21814 0.29567 165 2PX 0.14716 0.03777 -0.00458 0.11249 0.03009 166 2PY -0.05073 0.01267 -0.01987 0.15064 -0.09124 167 2PZ -0.09088 -0.02311 0.13706 0.04713 0.03513 168 3S 0.09008 1.71667 1.79444 -0.57388 -0.57997 169 3PX 0.15605 -0.07775 -0.17982 -0.15267 -0.20789 170 3PY -0.55182 0.15338 -0.26692 2.62191 -0.15985 171 3PZ 0.01560 0.04373 0.09767 -0.21497 0.05628 172 4XX 0.00105 -0.00637 -0.00706 -0.03166 0.03130 173 4YY 0.00156 -0.01076 -0.01232 0.04058 -0.00058 174 4ZZ -0.00261 0.00460 0.01329 -0.01354 0.02082 175 4XY 0.02673 0.01170 -0.00462 -0.00048 0.00345 176 4XZ -0.00408 0.02330 0.01325 0.02861 -0.04173 177 4YZ -0.01720 -0.00436 0.01073 -0.01048 0.00547 178 18 H 1S 0.02462 0.02479 0.00913 -0.07179 -0.07406 179 2S -0.57646 -0.37978 -0.17688 0.62820 0.06197 180 19 H 1S -0.02462 -0.02479 -0.00913 0.07179 -0.07406 181 2S 0.57647 0.37978 0.17689 -0.62820 0.06197 182 20 H 1S -0.00159 -0.02620 -0.06410 0.11561 -0.05029 183 2S -0.45216 0.03326 0.48674 -0.85267 0.08707 184 21 H 1S 0.00159 0.02620 0.06410 -0.11561 -0.05029 185 2S 0.45216 -0.03325 -0.48674 0.85267 0.08707 186 22 O 1S -0.01822 0.03026 0.02724 0.04388 -0.00794 187 2S 0.01274 -0.03292 -0.06755 0.06095 -0.04079 188 2PX -0.13243 -0.05155 0.00839 -0.00400 -0.00923 189 2PY -0.01610 0.07820 0.10643 -0.10066 0.04024 190 2PZ 0.08252 0.01980 -0.02275 0.04284 -0.00585 191 3S 0.41472 -0.58753 -0.32831 -1.66912 0.33708 192 3PX -0.10959 -0.05465 0.01929 -0.09443 0.04624 193 3PY -0.15982 0.29992 0.25095 0.52479 -0.13173 194 3PZ 0.08384 -0.00264 -0.05300 -0.03157 -0.00005 195 4XX -0.00704 0.01179 -0.00266 0.04916 -0.01794 196 4YY -0.00031 0.00680 0.00122 -0.00367 -0.00658 197 4ZZ -0.01620 0.01573 0.00409 0.06016 -0.02586 198 4XY -0.01358 -0.00343 0.00067 -0.00095 -0.00567 199 4XZ -0.00003 0.01170 0.00657 0.01029 -0.00943 200 4YZ 0.00722 0.00495 -0.00709 0.00482 -0.00380 201 23 O 1S 0.01822 -0.03026 -0.02724 -0.04388 -0.00794 202 2S -0.01274 0.03292 0.06755 -0.06095 -0.04079 203 2PX 0.13243 0.05155 -0.00839 0.00400 -0.00923 204 2PY -0.01610 0.07819 0.10643 -0.10066 -0.04024 205 2PZ -0.08252 -0.01980 0.02275 -0.04284 -0.00585 206 3S -0.41473 0.58753 0.32831 1.66912 0.33709 207 3PX 0.10959 0.05466 -0.01929 0.09443 0.04624 208 3PY -0.15982 0.29992 0.25094 0.52479 0.13174 209 3PZ -0.08384 0.00264 0.05300 0.03157 -0.00005 210 4XX 0.00704 -0.01179 0.00266 -0.04916 -0.01794 211 4YY 0.00031 -0.00680 -0.00122 0.00367 -0.00658 212 4ZZ 0.01620 -0.01573 -0.00409 -0.06016 -0.02586 213 4XY -0.01358 -0.00343 0.00067 -0.00095 0.00567 214 4XZ 0.00003 -0.01170 -0.00657 -0.01029 -0.00943 215 4YZ 0.00722 0.00495 -0.00709 0.00482 0.00380 76 77 78 79 80 V V V V V Eigenvalues -- 0.47957 0.49606 0.52000 0.52127 0.53036 1 1 C 1S -0.00057 -0.01829 0.01358 0.01278 -0.02844 2 2S -0.01501 -0.02351 -0.15879 -0.07222 -0.02627 3 2PX 0.14516 -0.00583 -0.11339 -0.05407 -0.28198 4 2PY -0.03023 0.01091 -0.03536 0.11416 0.08093 5 2PZ 0.08111 0.14885 0.02527 -0.01886 -0.19995 6 3S 0.02396 0.44905 -0.17527 -0.42920 -0.20488 7 3PX -0.26015 0.01994 0.02334 -0.04722 0.60816 8 3PY 0.06757 0.36615 -0.20910 -0.60679 -0.17624 9 3PZ -0.05670 -0.30536 0.08198 0.15375 0.30746 10 4XX 0.00717 -0.02607 -0.00603 0.02802 -0.00137 11 4YY -0.00480 0.01982 -0.00839 -0.06722 -0.04391 12 4ZZ -0.00668 -0.00636 0.00088 0.02505 0.00855 13 4XY 0.00731 -0.00841 -0.01064 0.00268 -0.00843 14 4XZ -0.00433 0.01228 0.02611 -0.00006 0.05421 15 4YZ 0.00802 0.00935 -0.01764 -0.00166 -0.03808 16 2 C 1S -0.00330 0.00717 -0.01243 -0.01463 0.00021 17 2S 0.04596 0.08231 -0.30243 -0.26079 -0.14954 18 2PX -0.03549 0.11310 0.06317 -0.16299 0.01962 19 2PY -0.07088 0.16165 -0.09294 -0.15416 0.16708 20 2PZ 0.00602 -0.09439 0.07068 0.02862 -0.21524 21 3S 0.16897 -0.25483 0.47182 0.50698 0.06602 22 3PX -0.13073 -0.01209 -0.15464 0.05068 -0.00159 23 3PY 0.16302 -0.23293 0.05882 0.21030 -0.13809 24 3PZ 0.05541 0.08060 0.01800 -0.01368 0.03460 25 4XX -0.01099 -0.00718 -0.01189 -0.01217 0.01333 26 4YY 0.01698 0.03186 -0.04513 -0.05411 -0.03791 27 4ZZ 0.00777 -0.00340 -0.00925 0.00069 -0.01127 28 4XY 0.00264 -0.00907 -0.00667 0.01824 -0.00108 29 4XZ -0.01663 -0.00856 0.04423 0.03799 0.01695 30 4YZ -0.00017 0.00926 0.00043 -0.02307 0.00381 31 3 C 1S 0.00330 0.00717 -0.01243 -0.01463 -0.00021 32 2S -0.04597 0.08231 -0.30243 -0.26079 0.14954 33 2PX 0.03549 0.11310 0.06317 -0.16299 -0.01962 34 2PY -0.07088 -0.16165 0.09293 0.15416 0.16708 35 2PZ -0.00602 -0.09439 0.07068 0.02862 0.21524 36 3S -0.16897 -0.25483 0.47181 0.50698 -0.06601 37 3PX 0.13073 -0.01209 -0.15463 0.05068 0.00159 38 3PY 0.16302 0.23293 -0.05881 -0.21029 -0.13810 39 3PZ -0.05541 0.08060 0.01799 -0.01368 -0.03460 40 4XX 0.01099 -0.00718 -0.01189 -0.01217 -0.01334 41 4YY -0.01698 0.03186 -0.04513 -0.05411 0.03791 42 4ZZ -0.00777 -0.00340 -0.00925 0.00069 0.01127 43 4XY 0.00264 0.00907 0.00667 -0.01824 -0.00108 44 4XZ 0.01663 -0.00856 0.04423 0.03799 -0.01695 45 4YZ -0.00017 -0.00926 -0.00043 0.02307 0.00381 46 4 C 1S 0.00057 -0.01829 0.01358 0.01278 0.02844 47 2S 0.01501 -0.02351 -0.15879 -0.07221 0.02627 48 2PX -0.14516 -0.00583 -0.11339 -0.05408 0.28198 49 2PY -0.03023 -0.01091 0.03536 -0.11416 0.08093 50 2PZ -0.08111 0.14886 0.02527 -0.01886 0.19995 51 3S -0.02396 0.44906 -0.17526 -0.42921 0.20488 52 3PX 0.26016 0.01993 0.02334 -0.04721 -0.60817 53 3PY 0.06757 -0.36616 0.20910 0.60679 -0.17622 54 3PZ 0.05670 -0.30536 0.08198 0.15375 -0.30746 55 4XX -0.00717 -0.02607 -0.00603 0.02802 0.00137 56 4YY 0.00480 0.01982 -0.00839 -0.06722 0.04391 57 4ZZ 0.00668 -0.00636 0.00088 0.02505 -0.00855 58 4XY 0.00731 0.00841 0.01064 -0.00268 -0.00843 59 4XZ 0.00433 0.01228 0.02611 -0.00006 -0.05421 60 4YZ 0.00802 -0.00935 0.01764 0.00166 -0.03808 61 5 H 1S -0.00426 0.00494 0.03751 -0.15805 -0.23585 62 2S 0.01284 0.13306 -0.10664 -0.10743 -0.00933 63 6 H 1S 0.05439 0.09145 -0.10149 -0.24049 -0.06346 64 2S 0.07284 -0.05230 0.02578 0.08175 -0.07403 65 7 H 1S -0.05440 0.09145 -0.10149 -0.24049 0.06346 66 2S -0.07284 -0.05230 0.02577 0.08175 0.07403 67 8 H 1S 0.00426 0.00494 0.03751 -0.15805 0.23585 68 2S -0.01284 0.13306 -0.10664 -0.10743 0.00932 69 9 C 1S 0.00000 0.01620 -0.00021 -0.01261 0.00000 70 2S 0.00000 0.06676 -0.02814 -0.06176 0.00000 71 2PX 0.00000 -0.01742 0.01277 -0.14531 0.00000 72 2PY -0.01472 0.00000 0.00000 0.00000 0.62155 73 2PZ 0.00000 -0.12431 0.09081 0.19702 0.00000 74 3S 0.00000 -0.56110 0.13089 0.69585 0.00001 75 3PX 0.00000 -0.10394 0.18418 0.37562 0.00001 76 3PY 0.07195 0.00000 0.00000 0.00000 -0.73913 77 3PZ 0.00000 0.57860 -0.26321 -0.65141 0.00000 78 4XX 0.00000 -0.01144 0.01735 0.00099 0.00000 79 4YY 0.00000 0.01285 -0.01315 0.03408 0.00000 80 4ZZ 0.00000 0.01189 0.00054 -0.02602 0.00000 81 4XY -0.00180 0.00000 0.00000 0.00000 -0.00888 82 4XZ 0.00000 -0.03670 -0.00182 0.01393 0.00000 83 4YZ -0.00675 0.00000 0.00000 0.00000 0.00430 84 10 H 1S 0.00000 0.02159 0.08584 -0.05008 0.00000 85 2S 0.00000 0.06038 0.18744 0.12363 0.00000 86 11 H 1S 0.00000 -0.10310 -0.03406 -0.05253 0.00000 87 2S 0.00000 0.06013 -0.03609 0.01240 0.00000 88 12 C 1S 0.02360 0.00360 -0.03035 -0.01056 0.01648 89 2S -0.12513 -0.10265 -0.12874 -0.02962 0.14680 90 2PX 0.10252 0.23622 -0.16723 -0.13897 0.21548 91 2PY -0.12465 -0.01976 0.37941 -0.03141 -0.01382 92 2PZ -0.12857 0.11512 0.19060 -0.02917 0.09018 93 3S 0.37671 0.09687 0.09994 0.20396 -0.74155 94 3PX 1.23536 -0.25587 0.22611 0.23063 -0.09311 95 3PY -2.04892 0.04350 -0.45622 0.16184 -0.40214 96 3PZ -0.42211 -0.06548 -0.25023 -0.04141 -0.50138 97 4XX 0.00446 0.00081 0.01888 -0.01471 0.00896 98 4YY 0.00839 -0.00575 -0.06536 0.01127 0.01298 99 4ZZ -0.01301 -0.01310 0.00184 -0.01349 0.01464 100 4XY -0.01430 0.00147 0.02097 0.02040 0.00518 101 4XZ -0.01654 0.01242 0.03087 0.02456 -0.02123 102 4YZ 0.00693 0.00652 0.00317 0.01121 0.00641 103 13 C 1S -0.02360 0.00360 -0.03035 -0.01056 -0.01649 104 2S 0.12513 -0.10265 -0.12874 -0.02961 -0.14680 105 2PX -0.10253 0.23622 -0.16723 -0.13897 -0.21549 106 2PY -0.12465 0.01975 -0.37940 0.03141 -0.01382 107 2PZ 0.12856 0.11512 0.19060 -0.02917 -0.09018 108 3S -0.37670 0.09688 0.09995 0.20393 0.74155 109 3PX -1.23537 -0.25588 0.22611 0.23064 0.09311 110 3PY -2.04892 -0.04352 0.45622 -0.16184 -0.40214 111 3PZ 0.42212 -0.06547 -0.25022 -0.04142 0.50138 112 4XX -0.00446 0.00081 0.01888 -0.01471 -0.00896 113 4YY -0.00839 -0.00575 -0.06536 0.01127 -0.01298 114 4ZZ 0.01301 -0.01310 0.00184 -0.01349 -0.01464 115 4XY -0.01430 -0.00147 -0.02097 -0.02040 0.00518 116 4XZ 0.01654 0.01242 0.03087 0.02456 0.02123 117 4YZ 0.00692 -0.00652 -0.00317 -0.01121 0.00641 118 14 C 1S 0.01114 0.00684 0.01323 0.01835 0.00340 119 2S -0.04057 -0.13558 -0.13378 -0.21668 -0.03361 120 2PX -0.44435 0.25142 -0.02041 0.00471 -0.07008 121 2PY 0.01866 -0.07237 -0.10032 -0.15208 -0.06156 122 2PZ 0.28994 0.29611 0.21999 -0.04793 0.06345 123 3S -0.14336 0.21052 0.24042 0.67831 0.06300 124 3PX -1.60210 -0.24905 -0.00697 -0.17275 -0.59111 125 3PY -0.09894 -0.06897 -0.00440 0.13554 -0.30539 126 3PZ 1.18806 -0.23453 -0.18633 0.15280 0.24680 127 4XX 0.00661 -0.02111 0.00003 0.01242 -0.01103 128 4YY 0.00099 0.00983 -0.00526 -0.01160 0.00063 129 4ZZ -0.00790 -0.00708 -0.00209 -0.00453 0.00432 130 4XY 0.02186 -0.01601 0.03583 -0.01543 0.00075 131 4XZ 0.00238 0.01240 -0.01048 -0.02480 -0.00450 132 4YZ -0.01225 0.00772 -0.02932 0.01226 -0.00894 133 15 C 1S 0.01833 -0.00974 0.01022 -0.02311 -0.00931 134 2S -0.06068 -0.16647 -0.01680 -0.14051 -0.01791 135 2PX -0.12340 0.21470 -0.03110 0.24440 -0.04813 136 2PY 0.09227 -0.18318 0.20380 -0.30738 0.06272 137 2PZ 0.08876 0.22692 0.15671 -0.06054 -0.02341 138 3S 0.89191 0.07214 0.11583 -0.22678 0.62433 139 3PX -0.75151 -0.19760 0.07319 -0.37983 -0.04675 140 3PY 2.36074 0.30165 -0.33759 0.56319 0.89447 141 3PZ 0.64956 -0.11190 -0.14190 0.16823 0.18451 142 4XX 0.00299 0.00552 -0.01850 -0.00878 -0.00008 143 4YY 0.01882 -0.04271 0.03060 -0.04930 -0.00544 144 4ZZ -0.00141 0.00010 -0.01579 0.00691 -0.00060 145 4XY -0.00876 0.01625 -0.00519 0.00855 -0.00136 146 4XZ -0.02186 0.00899 0.01304 0.03870 0.00348 147 4YZ 0.00810 -0.00215 0.00776 0.00343 0.00327 148 16 C 1S -0.01833 -0.00974 0.01022 -0.02311 0.00931 149 2S 0.06069 -0.16646 -0.01680 -0.14051 0.01791 150 2PX 0.12340 0.21470 -0.03110 0.24441 0.04813 151 2PY 0.09227 0.18318 -0.20380 0.30737 0.06272 152 2PZ -0.08876 0.22692 0.15671 -0.06054 0.02341 153 3S -0.89192 0.07211 0.11582 -0.22675 -0.62433 154 3PX 0.75153 -0.19759 0.07319 -0.37984 0.04675 155 3PY 2.36073 -0.30160 0.33760 -0.56321 0.89447 156 3PZ -0.64956 -0.11191 -0.14190 0.16823 -0.18451 157 4XX -0.00299 0.00552 -0.01850 -0.00878 0.00008 158 4YY -0.01881 -0.04271 0.03060 -0.04930 0.00544 159 4ZZ 0.00141 0.00010 -0.01579 0.00691 0.00060 160 4XY -0.00876 -0.01625 0.00519 -0.00855 -0.00136 161 4XZ 0.02186 0.00899 0.01304 0.03870 -0.00348 162 4YZ 0.00810 0.00215 -0.00777 -0.00343 0.00327 163 17 C 1S -0.01114 0.00684 0.01323 0.01835 -0.00340 164 2S 0.04058 -0.13557 -0.13378 -0.21668 0.03361 165 2PX 0.44435 0.25143 -0.02040 0.00471 0.07007 166 2PY 0.01865 0.07237 0.10032 0.15208 -0.06156 167 2PZ -0.28994 0.29610 0.21999 -0.04793 -0.06345 168 3S 0.14335 0.21052 0.24043 0.67831 -0.06300 169 3PX 1.60210 -0.24902 -0.00697 -0.17277 0.59111 170 3PY -0.09896 0.06896 0.00440 -0.13552 -0.30540 171 3PZ -1.18805 -0.23455 -0.18633 0.15281 -0.24680 172 4XX -0.00661 -0.02111 0.00003 0.01242 0.01103 173 4YY -0.00099 0.00983 -0.00526 -0.01160 -0.00063 174 4ZZ 0.00790 -0.00708 -0.00209 -0.00453 -0.00432 175 4XY 0.02187 0.01601 -0.03583 0.01543 0.00075 176 4XZ -0.00238 0.01240 -0.01048 -0.02480 0.00450 177 4YZ -0.01225 -0.00772 0.02932 -0.01226 -0.00894 178 18 H 1S 0.03971 -0.05555 -0.14552 -0.10864 0.04485 179 2S 0.04932 0.01688 -0.14455 -0.11318 0.00719 180 19 H 1S -0.03971 -0.05555 -0.14552 -0.10864 -0.04485 181 2S -0.04932 0.01688 -0.14455 -0.11319 -0.00719 182 20 H 1S 0.07181 -0.01988 -0.02645 -0.16658 -0.02054 183 2S 0.09609 -0.05746 0.04022 0.01181 0.12680 184 21 H 1S -0.07181 -0.01988 -0.02645 -0.16659 0.02053 185 2S -0.09609 -0.05746 0.04022 0.01182 -0.12680 186 22 O 1S 0.00303 0.00222 0.00358 0.00288 -0.00981 187 2S -0.01810 0.02891 0.00890 0.00424 -0.00298 188 2PX 0.01884 -0.04166 0.13026 -0.07620 -0.00419 189 2PY 0.01832 -0.03477 -0.00449 -0.00599 -0.00006 190 2PZ -0.00852 0.05003 -0.08248 0.03597 -0.00762 191 3S 0.04336 -0.16498 -0.10977 -0.09479 0.27031 192 3PX -0.25883 0.00899 0.01664 0.02146 -0.06724 193 3PY 0.00255 0.06095 0.05877 0.07122 -0.11464 194 3PZ 0.18949 0.01959 -0.00346 -0.01277 0.05371 195 4XX -0.00038 0.01646 0.00359 0.00879 -0.00890 196 4YY -0.00155 -0.00426 0.00142 0.00339 -0.00495 197 4ZZ -0.00304 0.01471 0.01066 -0.00242 -0.00866 198 4XY -0.01526 -0.01865 0.01307 -0.00863 0.00026 199 4XZ -0.00185 0.00654 0.00008 0.00270 0.00088 200 4YZ 0.00836 -0.01373 -0.02270 0.00718 0.00197 201 23 O 1S -0.00303 0.00222 0.00358 0.00288 0.00981 202 2S 0.01810 0.02891 0.00890 0.00424 0.00298 203 2PX -0.01884 -0.04166 0.13026 -0.07620 0.00419 204 2PY 0.01832 0.03477 0.00449 0.00599 -0.00006 205 2PZ 0.00852 0.05003 -0.08248 0.03597 0.00762 206 3S -0.04335 -0.16499 -0.10977 -0.09478 -0.27030 207 3PX 0.25883 0.00900 0.01664 0.02145 0.06724 208 3PY 0.00255 -0.06096 -0.05877 -0.07122 -0.11464 209 3PZ -0.18949 0.01959 -0.00346 -0.01277 -0.05371 210 4XX 0.00038 0.01646 0.00359 0.00879 0.00890 211 4YY 0.00155 -0.00426 0.00142 0.00339 0.00495 212 4ZZ 0.00304 0.01471 0.01066 -0.00242 0.00865 213 4XY -0.01526 0.01865 -0.01307 0.00863 0.00026 214 4XZ 0.00185 0.00654 0.00008 0.00270 -0.00088 215 4YZ 0.00836 0.01373 0.02270 -0.00718 0.00197 81 82 83 84 85 V V V V V Eigenvalues -- 0.53641 0.55466 0.57275 0.57829 0.58670 1 1 C 1S 0.02913 0.01519 0.03250 -0.04737 -0.02595 2 2S 0.03427 -0.01776 -0.12901 0.16028 -0.09138 3 2PX 0.06959 -0.11407 0.21551 0.30671 -0.00177 4 2PY -0.16983 -0.01790 -0.04457 0.04797 -0.00525 5 2PZ 0.03338 -0.01622 0.19137 -0.15001 0.07802 6 3S -0.20755 -0.39346 0.25249 0.78174 0.48810 7 3PX -0.30348 -0.23325 -0.60228 0.11293 0.06183 8 3PY 0.09828 -0.30706 -0.17170 0.49465 0.35792 9 3PZ -0.04229 -0.03484 -0.37165 -0.28321 -0.22677 10 4XX -0.00767 -0.01575 0.00434 0.01391 -0.01813 11 4YY 0.06472 0.00273 -0.00262 -0.00574 -0.01748 12 4ZZ -0.02506 0.00982 0.00965 -0.01245 0.00135 13 4XY 0.02863 0.04566 0.00457 -0.00490 -0.01174 14 4XZ -0.02342 -0.00042 -0.04510 0.01813 0.02226 15 4YZ -0.01520 -0.01894 0.05151 -0.00077 -0.01357 16 2 C 1S -0.00923 -0.01322 -0.02651 0.08125 0.01225 17 2S 0.14177 -0.14230 -0.00112 -0.10004 -0.04300 18 2PX 0.03448 -0.35595 -0.17120 0.07541 -0.10675 19 2PY -0.20634 -0.22910 -0.12294 -0.18684 0.13943 20 2PZ 0.19965 -0.30812 0.09085 -0.06068 -0.27205 21 3S -0.08602 0.28962 0.16798 -1.26333 -0.12625 22 3PX -0.11750 0.18701 0.09854 0.80344 0.30623 23 3PY 0.24779 0.31396 0.16883 -0.36706 -0.25351 24 3PZ -0.05734 0.39195 0.12641 -0.61161 0.15703 25 4XX 0.00838 0.00617 -0.02343 0.00145 0.00335 26 4YY -0.00527 -0.05103 -0.00461 0.04183 0.01139 27 4ZZ 0.02242 0.00498 -0.00119 -0.00584 -0.01744 28 4XY -0.02591 -0.03963 0.03268 0.00091 -0.02382 29 4XZ -0.01672 0.00790 0.02780 -0.05673 0.00459 30 4YZ 0.04521 0.01410 -0.01935 -0.00053 -0.01439 31 3 C 1S -0.00923 -0.01322 -0.02651 -0.08125 0.01225 32 2S 0.14177 -0.14230 -0.00112 0.10004 -0.04300 33 2PX 0.03448 -0.35594 -0.17120 -0.07540 -0.10676 34 2PY 0.20634 0.22909 0.12294 -0.18683 -0.13943 35 2PZ 0.19965 -0.30812 0.09085 0.06069 -0.27205 36 3S -0.08601 0.28964 0.16796 1.26334 -0.12624 37 3PX -0.11750 0.18700 0.09855 -0.80346 0.30623 38 3PY -0.24779 -0.31396 -0.16882 -0.36706 0.25351 39 3PZ -0.05734 0.39196 0.12641 0.61161 0.15704 40 4XX 0.00838 0.00617 -0.02343 -0.00145 0.00335 41 4YY -0.00527 -0.05103 -0.00461 -0.04183 0.01139 42 4ZZ 0.02242 0.00498 -0.00119 0.00584 -0.01744 43 4XY 0.02591 0.03963 -0.03268 0.00091 0.02382 44 4XZ -0.01672 0.00790 0.02780 0.05673 0.00459 45 4YZ -0.04521 -0.01410 0.01934 -0.00053 0.01439 46 4 C 1S 0.02913 0.01519 0.03250 0.04737 -0.02595 47 2S 0.03427 -0.01776 -0.12901 -0.16028 -0.09138 48 2PX 0.06959 -0.11407 0.21551 -0.30671 -0.00177 49 2PY 0.16983 0.01790 0.04457 0.04796 0.00525 50 2PZ 0.03338 -0.01622 0.19137 0.15002 0.07802 51 3S -0.20755 -0.39346 0.25250 -0.78176 0.48810 52 3PX -0.30348 -0.23325 -0.60228 -0.11295 0.06183 53 3PY -0.09827 0.30707 0.17168 0.49467 -0.35792 54 3PZ -0.04229 -0.03484 -0.37165 0.28321 -0.22676 55 4XX -0.00767 -0.01575 0.00434 -0.01391 -0.01813 56 4YY 0.06472 0.00273 -0.00262 0.00574 -0.01748 57 4ZZ -0.02506 0.00982 0.00966 0.01245 0.00135 58 4XY -0.02863 -0.04566 -0.00457 -0.00491 0.01174 59 4XZ -0.02342 -0.00042 -0.04510 -0.01813 0.02226 60 4YZ 0.01520 0.01894 -0.05151 -0.00077 0.01357 61 5 H 1S 0.32292 0.14165 -0.06478 -0.08796 -0.03436 62 2S -0.16180 -0.20884 -0.12787 0.26077 0.15877 63 6 H 1S 0.18856 0.06747 -0.22943 0.23867 0.03362 64 2S -0.03556 -0.00493 0.23505 -0.59805 -0.15166 65 7 H 1S 0.18856 0.06747 -0.22943 -0.23867 0.03362 66 2S -0.03556 -0.00493 0.23504 0.59805 -0.15166 67 8 H 1S 0.32291 0.14165 -0.06478 0.08796 -0.03435 68 2S -0.16180 -0.20884 -0.12786 -0.26078 0.15877 69 9 C 1S -0.01049 0.00779 -0.02260 0.00000 0.00223 70 2S 0.16702 -0.04528 0.16700 0.00000 -0.01078 71 2PX -0.13133 -0.15319 0.12072 0.00000 -0.02321 72 2PY 0.00000 0.00000 -0.00001 0.29791 0.00000 73 2PZ -0.16883 0.11571 -0.57275 0.00000 0.23366 74 3S -0.36994 0.18366 0.06623 0.00001 -0.23585 75 3PX 0.44255 0.74034 0.14755 0.00001 -0.30473 76 3PY 0.00000 0.00000 0.00000 -0.28568 0.00000 77 3PZ -0.05421 -0.42583 0.82381 0.00000 -0.01861 78 4XX 0.03243 0.06741 -0.01380 0.00000 -0.00041 79 4YY -0.03725 -0.02013 0.03757 0.00000 0.00159 80 4ZZ 0.01800 -0.03563 -0.02434 0.00000 -0.01109 81 4XY 0.00000 0.00000 0.00000 -0.00155 0.00000 82 4XZ -0.01579 -0.04763 -0.02083 0.00000 -0.00289 83 4YZ 0.00000 0.00000 0.00000 -0.00064 0.00000 84 10 H 1S 0.13350 0.31962 -0.13604 0.00000 0.02521 85 2S 0.27500 0.29705 0.07744 0.00001 -0.32381 86 11 H 1S 0.10089 -0.12796 -0.14434 0.00000 -0.01464 87 2S 0.05050 0.03037 -0.08023 0.00000 0.13844 88 12 C 1S -0.00613 0.00890 -0.00495 -0.02743 -0.00587 89 2S 0.21129 0.02576 0.10147 0.03088 -0.11695 90 2PX -0.08970 0.06492 0.13454 -0.06639 0.13949 91 2PY 0.06223 -0.13912 0.03157 0.02046 0.11857 92 2PZ 0.18170 0.00080 0.14289 -0.01701 0.22141 93 3S -0.32449 -0.11989 -0.37846 0.71393 -0.27181 94 3PX -0.00301 0.01949 -0.11220 0.07064 -0.11325 95 3PY -0.12368 0.12322 -0.08021 -0.22747 -0.30749 96 3PZ -0.12435 0.05072 -0.33001 0.35094 -0.36039 97 4XX 0.00115 -0.01287 0.00232 -0.00334 -0.02529 98 4YY 0.02603 0.01658 0.01264 0.00230 -0.02521 99 4ZZ -0.00249 -0.00427 -0.01013 -0.00789 0.01369 100 4XY -0.02577 0.00418 0.01141 -0.00144 -0.02194 101 4XZ 0.00366 -0.01552 0.00729 0.00389 0.05575 102 4YZ 0.00076 -0.00579 0.01774 0.00363 0.00717 103 13 C 1S -0.00613 0.00890 -0.00495 0.02743 -0.00587 104 2S 0.21130 0.02576 0.10147 -0.03088 -0.11695 105 2PX -0.08970 0.06492 0.13454 0.06638 0.13949 106 2PY -0.06223 0.13912 -0.03156 0.02046 -0.11857 107 2PZ 0.18171 0.00080 0.14289 0.01701 0.22141 108 3S -0.32448 -0.11989 -0.37846 -0.71393 -0.27182 109 3PX -0.00302 0.01948 -0.11219 -0.07064 -0.11324 110 3PY 0.12369 -0.12322 0.08021 -0.22747 0.30748 111 3PZ -0.12435 0.05072 -0.33001 -0.35094 -0.36039 112 4XX 0.00115 -0.01287 0.00232 0.00334 -0.02529 113 4YY 0.02603 0.01658 0.01264 -0.00230 -0.02521 114 4ZZ -0.00249 -0.00427 -0.01013 0.00789 0.01369 115 4XY 0.02577 -0.00418 -0.01141 -0.00144 0.02194 116 4XZ 0.00366 -0.01552 0.00729 -0.00389 0.05575 117 4YZ -0.00076 0.00579 -0.01774 0.00362 -0.00717 118 14 C 1S 0.01710 -0.01238 0.00732 -0.00302 0.00398 119 2S 0.12947 0.10143 -0.03683 -0.04147 0.01107 120 2PX 0.03359 0.00497 -0.18108 -0.13041 -0.08018 121 2PY -0.03231 0.08961 0.10781 0.10890 -0.07228 122 2PZ 0.02854 0.11378 0.02272 -0.32965 0.06521 123 3S 0.04460 -0.34988 -0.11559 -0.07165 0.36436 124 3PX -0.03667 0.14940 0.40469 0.42659 0.29126 125 3PY -0.00907 0.09803 0.27553 0.44787 0.01424 126 3PZ -0.01288 -0.22425 -0.03128 0.31720 -0.23165 127 4XX 0.04660 -0.00583 0.01159 -0.00108 0.02567 128 4YY -0.00624 0.00279 -0.00271 -0.00368 -0.00625 129 4ZZ 0.01326 -0.00323 -0.01608 -0.01141 0.00243 130 4XY -0.00702 -0.00065 0.00090 -0.00411 -0.01351 131 4XZ -0.05396 0.01351 0.00450 0.01268 -0.01914 132 4YZ 0.00519 -0.00160 -0.00335 0.00208 0.00532 133 15 C 1S -0.01378 0.01076 0.01178 0.01085 0.00042 134 2S 0.09154 0.08938 0.14401 -0.02389 0.18023 135 2PX 0.19076 0.02479 0.01912 -0.17960 -0.13801 136 2PY -0.13205 0.08978 0.06713 -0.01982 -0.07872 137 2PZ -0.18986 0.18622 0.04181 -0.23422 -0.44528 138 3S -0.13747 0.07285 -0.03091 -0.74346 -0.13789 139 3PX -0.21878 0.06044 -0.03867 0.09600 0.13402 140 3PY 0.19670 -0.19924 -0.18153 -0.74001 0.08593 141 3PZ 0.21769 -0.21784 -0.06171 0.25988 0.45844 142 4XX -0.00974 0.01366 0.01075 -0.01225 0.00177 143 4YY 0.00137 0.01874 0.02210 -0.00807 0.01346 144 4ZZ 0.00790 -0.00213 0.00868 0.00861 0.02574 145 4XY -0.01938 0.00461 0.00507 0.01353 -0.01573 146 4XZ 0.01824 -0.02751 -0.03366 -0.00312 -0.02668 147 4YZ 0.01009 0.01092 -0.00130 0.00442 -0.03238 148 16 C 1S -0.01378 0.01076 0.01178 -0.01085 0.00042 149 2S 0.09154 0.08938 0.14401 0.02389 0.18023 150 2PX 0.19076 0.02479 0.01912 0.17961 -0.13800 151 2PY 0.13205 -0.08978 -0.06713 -0.01982 0.07873 152 2PZ -0.18986 0.18622 0.04181 0.23423 -0.44528 153 3S -0.13749 0.07285 -0.03091 0.74346 -0.13789 154 3PX -0.21878 0.06045 -0.03867 -0.09601 0.13402 155 3PY -0.19668 0.19924 0.18152 -0.74001 -0.08594 156 3PZ 0.21769 -0.21784 -0.06170 -0.25989 0.45843 157 4XX -0.00974 0.01366 0.01075 0.01225 0.00177 158 4YY 0.00137 0.01874 0.02210 0.00807 0.01346 159 4ZZ 0.00790 -0.00213 0.00868 -0.00861 0.02574 160 4XY 0.01938 -0.00461 -0.00507 0.01353 0.01573 161 4XZ 0.01824 -0.02752 -0.03366 0.00312 -0.02668 162 4YZ -0.01009 -0.01092 0.00131 0.00442 0.03238 163 17 C 1S 0.01710 -0.01238 0.00732 0.00302 0.00398 164 2S 0.12947 0.10142 -0.03683 0.04147 0.01107 165 2PX 0.03359 0.00496 -0.18108 0.13041 -0.08017 166 2PY 0.03231 -0.08961 -0.10781 0.10889 0.07229 167 2PZ 0.02853 0.11378 0.02271 0.32965 0.06522 168 3S 0.04460 -0.34987 -0.11560 0.07165 0.36436 169 3PX -0.03666 0.14940 0.40467 -0.42657 0.29126 170 3PY 0.00907 -0.09802 -0.27554 0.44787 -0.01424 171 3PZ -0.01289 -0.22425 -0.03127 -0.31720 -0.23165 172 4XX 0.04660 -0.00583 0.01159 0.00108 0.02567 173 4YY -0.00624 0.00279 -0.00271 0.00368 -0.00625 174 4ZZ 0.01326 -0.00323 -0.01608 0.01141 0.00243 175 4XY 0.00702 0.00065 -0.00090 -0.00411 0.01351 176 4XZ -0.05397 0.01351 0.00450 -0.01268 -0.01914 177 4YZ -0.00518 0.00160 0.00335 0.00208 -0.00532 178 18 H 1S -0.05490 0.08207 -0.12662 -0.09053 -0.17628 179 2S 0.16105 0.03890 -0.03380 0.05012 0.10960 180 19 H 1S -0.05490 0.08207 -0.12663 0.09052 -0.17628 181 2S 0.16105 0.03891 -0.03380 -0.05012 0.10960 182 20 H 1S -0.16009 0.11742 0.12796 0.01621 0.05258 183 2S 0.06160 -0.00385 -0.07024 -0.18837 -0.03583 184 21 H 1S -0.16009 0.11742 0.12796 -0.01621 0.05258 185 2S 0.06160 -0.00385 -0.07024 0.18837 -0.03583 186 22 O 1S -0.00183 -0.00565 -0.01638 0.01346 0.00337 187 2S 0.03131 -0.01733 0.02927 -0.02113 0.02652 188 2PX 0.00163 -0.01152 -0.06053 0.04761 -0.06663 189 2PY 0.02866 0.00897 -0.02622 0.02032 0.01177 190 2PZ 0.01378 0.02836 -0.01805 0.05792 0.02695 191 3S -0.02792 0.19398 0.28710 -0.34118 -0.12218 192 3PX -0.00905 -0.01362 0.00888 0.01378 -0.03780 193 3PY -0.01414 -0.09233 -0.16834 0.15737 0.05732 194 3PZ -0.00189 0.03027 0.02863 -0.00702 0.03283 195 4XX 0.00223 -0.00568 -0.00173 0.00667 -0.00317 196 4YY 0.01816 -0.00845 -0.00247 -0.00271 0.01842 197 4ZZ 0.00393 -0.01124 -0.00570 -0.00079 0.01655 198 4XY -0.00486 -0.00079 0.01162 -0.00783 -0.00267 199 4XZ -0.00635 0.00004 0.00212 0.00584 -0.00166 200 4YZ -0.00363 -0.00623 -0.00186 -0.01988 -0.00236 201 23 O 1S -0.00183 -0.00565 -0.01638 -0.01346 0.00337 202 2S 0.03131 -0.01733 0.02927 0.02113 0.02652 203 2PX 0.00163 -0.01152 -0.06053 -0.04761 -0.06663 204 2PY -0.02866 -0.00897 0.02622 0.02032 -0.01177 205 2PZ 0.01378 0.02836 -0.01805 -0.05792 0.02695 206 3S -0.02793 0.19398 0.28709 0.34119 -0.12218 207 3PX -0.00905 -0.01361 0.00888 -0.01377 -0.03780 208 3PY 0.01414 0.09233 0.16834 0.15738 -0.05732 209 3PZ -0.00189 0.03027 0.02863 0.00702 0.03283 210 4XX 0.00223 -0.00568 -0.00173 -0.00667 -0.00317 211 4YY 0.01816 -0.00845 -0.00247 0.00271 0.01842 212 4ZZ 0.00393 -0.01124 -0.00570 0.00079 0.01655 213 4XY 0.00486 0.00079 -0.01162 -0.00783 0.00267 214 4XZ -0.00635 0.00004 0.00212 -0.00584 -0.00166 215 4YZ 0.00363 0.00623 0.00186 -0.01988 0.00236 86 87 88 89 90 V V V V V Eigenvalues -- 0.59285 0.61079 0.62470 0.63899 0.65215 1 1 C 1S -0.01350 -0.00362 -0.02186 -0.00449 0.00362 2 2S 0.11259 0.04211 0.00663 0.14882 0.00255 3 2PX 0.12253 -0.06602 0.20852 0.03861 -0.07403 4 2PY 0.23567 -0.06586 -0.00574 0.09632 -0.00692 5 2PZ 0.14890 -0.41244 -0.15933 -0.01364 -0.10246 6 3S -0.89122 0.48964 -0.03087 -0.64916 0.14699 7 3PX -0.23721 0.12144 -0.37099 0.11910 0.16035 8 3PY -0.96782 0.57290 -0.05901 -0.33620 0.22313 9 3PZ -0.16657 0.50463 0.12419 0.24299 0.23337 10 4XX 0.02968 -0.00064 -0.01303 0.02558 0.00140 11 4YY -0.04431 0.00259 -0.00582 -0.00738 0.01317 12 4ZZ -0.00753 0.01145 -0.00756 -0.00724 -0.00422 13 4XY 0.04007 -0.01132 0.00137 0.01142 -0.00735 14 4XZ 0.05183 -0.02681 0.04075 0.02409 -0.00587 15 4YZ -0.00530 -0.03151 0.01360 0.01080 -0.00396 16 2 C 1S 0.00808 0.04582 0.02669 0.02257 0.00563 17 2S -0.04508 0.01169 -0.00733 -0.06213 0.01163 18 2PX 0.30931 -0.22160 0.07148 0.43454 0.12741 19 2PY -0.07804 -0.28801 0.18230 -0.18097 -0.03846 20 2PZ 0.18046 -0.03098 -0.25003 0.42442 0.20699 21 3S 0.18967 -0.65709 0.14868 0.40489 -0.24843 22 3PX -0.49207 0.57200 -0.10020 -0.92243 -0.14107 23 3PY 0.28092 -0.19849 -0.21567 0.33047 -0.17179 24 3PZ -0.06863 -0.26167 0.30157 -0.59737 -0.44784 25 4XX -0.01284 0.01563 0.01511 -0.01318 0.00163 26 4YY -0.02591 0.05292 0.01705 0.03670 0.00494 27 4ZZ 0.05583 -0.03262 0.00067 0.00830 -0.00179 28 4XY 0.01240 0.00068 0.00625 -0.00868 -0.00268 29 4XZ -0.03952 -0.02299 -0.04245 -0.02971 0.00268 30 4YZ 0.03057 0.00057 -0.01014 0.00082 -0.00152 31 3 C 1S 0.00808 -0.04582 0.02669 -0.02257 -0.00563 32 2S -0.04508 -0.01170 -0.00733 0.06213 -0.01163 33 2PX 0.30930 0.22161 0.07149 -0.43454 -0.12741 34 2PY 0.07806 -0.28801 -0.18230 -0.18097 -0.03846 35 2PZ 0.18046 0.03100 -0.25002 -0.42442 -0.20699 36 3S 0.18962 0.65709 0.14868 -0.40490 0.24843 37 3PX -0.49203 -0.57202 -0.10021 0.92243 0.14107 38 3PY -0.28090 -0.19850 0.21567 0.33047 -0.17178 39 3PZ -0.06865 0.26166 0.30157 0.59736 0.44784 40 4XX -0.01284 -0.01563 0.01510 0.01318 -0.00163 41 4YY -0.02590 -0.05292 0.01705 -0.03670 -0.00494 42 4ZZ 0.05583 0.03262 0.00067 -0.00830 0.00179 43 4XY -0.01240 0.00068 -0.00625 -0.00868 -0.00268 44 4XZ -0.03952 0.02299 -0.04245 0.02971 -0.00268 45 4YZ -0.03057 0.00057 0.01014 0.00082 -0.00152 46 4 C 1S -0.01350 0.00362 -0.02186 0.00450 -0.00362 47 2S 0.11260 -0.04211 0.00663 -0.14883 -0.00255 48 2PX 0.12253 0.06602 0.20852 -0.03861 0.07403 49 2PY -0.23566 -0.06587 0.00574 0.09632 -0.00692 50 2PZ 0.14888 0.41244 -0.15932 0.01364 0.10246 51 3S -0.89119 -0.48967 -0.03087 0.64916 -0.14699 52 3PX -0.23719 -0.12143 -0.37098 -0.11910 -0.16035 53 3PY 0.96779 0.57294 0.05901 -0.33621 0.22313 54 3PZ -0.16656 -0.50464 0.12417 -0.24299 -0.23336 55 4XX 0.02968 0.00065 -0.01303 -0.02558 -0.00140 56 4YY -0.04431 -0.00260 -0.00582 0.00738 -0.01318 57 4ZZ -0.00753 -0.01145 -0.00756 0.00724 0.00422 58 4XY -0.04007 -0.01132 -0.00137 0.01142 -0.00735 59 4XZ 0.05183 0.02681 0.04075 -0.02410 0.00587 60 4YZ 0.00530 -0.03152 -0.01360 0.01080 -0.00396 61 5 H 1S -0.07044 0.08758 -0.07924 -0.06264 0.08929 62 2S -0.28080 0.22867 -0.09080 -0.01586 0.09099 63 6 H 1S 0.10866 0.19331 0.15201 0.12336 0.01452 64 2S 0.06211 -0.31830 -0.01938 0.04453 -0.11938 65 7 H 1S 0.10868 -0.19332 0.15200 -0.12336 -0.01452 66 2S 0.06209 0.31830 -0.01937 -0.04453 0.11938 67 8 H 1S -0.07044 -0.08758 -0.07924 0.06264 -0.08929 68 2S -0.28079 -0.22868 -0.09080 0.01586 -0.09099 69 9 C 1S 0.02489 0.00000 -0.00156 0.00000 0.00000 70 2S -0.37104 -0.00001 -0.07372 0.00000 0.00000 71 2PX -0.28340 0.00000 0.01400 0.00000 0.00000 72 2PY 0.00000 0.02306 0.00000 0.25274 -0.06884 73 2PZ 0.28980 0.00000 0.04210 0.00000 0.00000 74 3S 1.31490 0.00003 -0.09614 0.00000 0.00000 75 3PX 0.98062 0.00001 0.20175 0.00000 0.00000 76 3PY 0.00000 0.28667 0.00000 -0.41694 0.24205 77 3PZ -1.11272 -0.00002 -0.09904 0.00000 0.00000 78 4XX 0.02822 0.00000 0.03860 0.00000 0.00000 79 4YY -0.00224 0.00000 -0.03163 0.00000 0.00000 80 4ZZ -0.03735 0.00000 -0.02824 0.00000 0.00000 81 4XY 0.00000 0.02999 0.00000 -0.01804 0.01201 82 4XZ -0.04644 0.00000 -0.02731 0.00000 0.00000 83 4YZ 0.00000 -0.04702 0.00000 0.00970 -0.00560 84 10 H 1S 0.28757 0.00000 0.10339 0.00000 0.00000 85 2S 0.28669 0.00000 0.07127 0.00000 0.00000 86 11 H 1S -0.01364 0.00000 -0.08862 0.00000 0.00000 87 2S 0.20541 0.00000 0.04559 0.00000 0.00000 88 12 C 1S -0.00130 -0.00823 0.00032 0.00345 0.01966 89 2S -0.11246 0.13457 0.02836 -0.02141 -0.08066 90 2PX 0.03131 -0.13402 -0.06096 0.11217 0.10445 91 2PY -0.09011 -0.17175 0.11143 0.04526 -0.12130 92 2PZ -0.05441 -0.13207 0.16643 0.15071 -0.12006 93 3S 0.17427 -0.53899 -0.34169 0.02605 -0.41991 94 3PX -0.02561 0.24069 0.03693 -0.08773 -0.10385 95 3PY 0.24200 0.34979 -0.28488 -0.55150 0.50507 96 3PZ -0.09855 -0.24805 -0.38258 -0.35995 0.01454 97 4XX 0.01488 0.04098 -0.00203 -0.02888 0.01468 98 4YY 0.00356 -0.02841 -0.01249 0.01448 -0.03113 99 4ZZ -0.02603 -0.00346 0.01884 0.00558 0.00865 100 4XY 0.01995 0.00621 -0.00675 -0.00110 0.02105 101 4XZ 0.03279 0.00983 0.01784 0.00539 -0.02669 102 4YZ 0.02346 0.00162 0.02113 -0.00147 -0.00884 103 13 C 1S -0.00130 0.00822 0.00032 -0.00345 -0.01966 104 2S -0.11246 -0.13458 0.02836 0.02141 0.08066 105 2PX 0.03130 0.13402 -0.06095 -0.11217 -0.10445 106 2PY 0.09012 -0.17174 -0.11144 0.04527 -0.12130 107 2PZ -0.05442 0.13207 0.16643 -0.15071 0.12006 108 3S 0.17426 0.53900 -0.34168 -0.02605 0.41990 109 3PX -0.02558 -0.24069 0.03694 0.08773 0.10386 110 3PY -0.24201 0.34978 0.28489 -0.55150 0.50507 111 3PZ -0.09856 0.24805 -0.38257 0.35995 -0.01455 112 4XX 0.01489 -0.04098 -0.00203 0.02888 -0.01468 113 4YY 0.00356 0.02841 -0.01249 -0.01448 0.03113 114 4ZZ -0.02603 0.00346 0.01885 -0.00558 -0.00865 115 4XY -0.01995 0.00621 0.00675 -0.00110 0.02105 116 4XZ 0.03279 -0.00982 0.01784 -0.00539 0.02669 117 4YZ -0.02346 0.00162 -0.02113 -0.00147 -0.00884 118 14 C 1S -0.00097 -0.00410 0.00631 0.00443 -0.02102 119 2S -0.03256 0.11989 0.02357 -0.03199 0.26659 120 2PX -0.19811 0.11278 -0.19651 0.09859 -0.05343 121 2PY 0.06511 -0.01928 0.00777 0.04719 -0.54565 122 2PZ 0.08963 0.16669 -0.34205 0.07784 -0.04939 123 3S -0.25727 -0.33755 0.21967 -0.15468 0.64213 124 3PX 0.31792 -0.16351 0.46441 -0.42624 -0.29148 125 3PY 0.15897 -0.09172 0.16252 -0.04620 0.21598 126 3PZ -0.10169 -0.17220 0.57530 0.11714 0.17292 127 4XX -0.00991 0.01457 0.02818 -0.01854 0.06098 128 4YY -0.00479 -0.01551 -0.01665 0.01590 -0.07467 129 4ZZ -0.00645 0.00533 0.00788 -0.00012 0.03908 130 4XY -0.00854 -0.00269 0.00933 0.00483 -0.01429 131 4XZ 0.01205 -0.00503 -0.02082 0.00250 -0.04474 132 4YZ -0.00336 0.01704 0.00510 -0.00308 -0.00959 133 15 C 1S 0.01281 0.00842 -0.00429 -0.00343 -0.01588 134 2S 0.12011 0.00685 0.09546 -0.02632 0.11316 135 2PX -0.04257 0.17662 0.29649 0.12679 -0.02597 136 2PY 0.02448 -0.06254 -0.00420 0.04641 -0.07017 137 2PZ 0.03761 0.21088 0.21503 0.23765 -0.30387 138 3S -0.06029 0.04912 -0.11970 0.02198 0.41241 139 3PX 0.07958 -0.18168 -0.43969 -0.26396 -0.08955 140 3PY -0.05401 0.07150 -0.03319 0.14607 1.07467 141 3PZ -0.09442 -0.28838 -0.28112 -0.27358 0.63768 142 4XX 0.02253 0.00939 0.00639 0.00679 -0.02393 143 4YY 0.01496 0.01745 0.01415 -0.01159 0.03364 144 4ZZ 0.00491 -0.01011 -0.01323 -0.00789 0.00595 145 4XY 0.00318 -0.00618 0.00900 -0.00050 -0.01496 146 4XZ -0.04143 -0.00635 0.01586 0.00758 0.02319 147 4YZ -0.00247 -0.00383 0.02251 -0.00721 0.01780 148 16 C 1S 0.01281 -0.00842 -0.00429 0.00343 0.01588 149 2S 0.12011 -0.00684 0.09546 0.02632 -0.11315 150 2PX -0.04257 -0.17663 0.29648 -0.12679 0.02598 151 2PY -0.02448 -0.06254 0.00419 0.04641 -0.07017 152 2PZ 0.03761 -0.21089 0.21501 -0.23765 0.30388 153 3S -0.06029 -0.04912 -0.11969 -0.02198 -0.41242 154 3PX 0.07958 0.18170 -0.43968 0.26397 0.08954 155 3PY 0.05401 0.07150 0.03318 0.14607 1.07467 156 3PZ -0.09442 0.28839 -0.28109 0.27358 -0.63768 157 4XX 0.02253 -0.00939 0.00639 -0.00679 0.02393 158 4YY 0.01496 -0.01745 0.01415 0.01159 -0.03364 159 4ZZ 0.00491 0.01011 -0.01323 0.00789 -0.00595 160 4XY -0.00318 -0.00618 -0.00900 -0.00050 -0.01496 161 4XZ -0.04143 0.00635 0.01586 -0.00758 -0.02319 162 4YZ 0.00247 -0.00382 -0.02251 -0.00721 0.01780 163 17 C 1S -0.00097 0.00410 0.00631 -0.00444 0.02102 164 2S -0.03255 -0.11990 0.02357 0.03200 -0.26659 165 2PX -0.19811 -0.11278 -0.19652 -0.09859 0.05342 166 2PY -0.06511 -0.01928 -0.00777 0.04719 -0.54564 167 2PZ 0.08963 -0.16668 -0.34206 -0.07784 0.04939 168 3S -0.25729 0.33754 0.21969 0.15468 -0.64212 169 3PX 0.31791 0.16351 0.46440 0.42624 0.29150 170 3PY -0.15896 -0.09173 -0.16253 -0.04621 0.21595 171 3PZ -0.10169 0.17217 0.57532 -0.11715 -0.17291 172 4XX -0.00991 -0.01457 0.02818 0.01854 -0.06098 173 4YY -0.00479 0.01551 -0.01665 -0.01590 0.07467 174 4ZZ -0.00645 -0.00534 0.00788 0.00012 -0.03908 175 4XY 0.00854 -0.00269 -0.00933 0.00483 -0.01429 176 4XZ 0.01205 0.00503 -0.02082 -0.00250 0.04474 177 4YZ 0.00336 0.01704 -0.00510 -0.00308 -0.00959 178 18 H 1S -0.16755 -0.12346 -0.06542 0.03710 0.03798 179 2S -0.14820 -0.24666 0.08772 0.13018 -0.20615 180 19 H 1S -0.16756 0.12345 -0.06542 -0.03709 -0.03798 181 2S -0.14821 0.24665 0.08772 -0.13018 0.20615 182 20 H 1S 0.16971 0.03587 -0.06593 -0.02848 -0.04564 183 2S -0.00766 0.01083 -0.01539 0.00133 0.24846 184 21 H 1S 0.16971 -0.03586 -0.06593 0.02848 0.04564 185 2S -0.00766 -0.01084 -0.01539 -0.00133 -0.24846 186 22 O 1S -0.00888 0.00057 -0.00434 0.00130 -0.02785 187 2S -0.01853 -0.02284 0.02975 0.01088 0.03432 188 2PX -0.10529 -0.06607 -0.01000 -0.03825 0.02033 189 2PY -0.01135 -0.03534 0.01864 0.02879 -0.19933 190 2PZ 0.02130 -0.06634 -0.07807 -0.00970 0.02254 191 3S 0.24831 0.01393 0.08436 -0.01266 0.21280 192 3PX 0.01291 0.01666 -0.04287 -0.04119 -0.01399 193 3PY -0.11557 0.03385 -0.05895 0.00241 -0.24822 194 3PZ 0.02517 0.01417 -0.04341 0.02831 0.02850 195 4XX -0.00756 -0.00413 0.00380 -0.01080 0.02859 196 4YY -0.01139 -0.02027 0.02396 0.02143 -0.10426 197 4ZZ -0.01395 -0.00101 -0.00456 0.00812 0.00992 198 4XY 0.00531 0.00549 0.01548 0.00204 0.01543 199 4XZ 0.00012 -0.00135 -0.00103 -0.00233 -0.00145 200 4YZ -0.00275 0.00755 0.01873 0.00357 0.00853 201 23 O 1S -0.00888 -0.00057 -0.00434 -0.00130 0.02785 202 2S -0.01853 0.02284 0.02976 -0.01088 -0.03432 203 2PX -0.10529 0.06607 -0.00999 0.03826 -0.02034 204 2PY 0.01136 -0.03534 -0.01864 0.02879 -0.19934 205 2PZ 0.02130 0.06635 -0.07807 0.00970 -0.02254 206 3S 0.24831 -0.01392 0.08436 0.01266 -0.21279 207 3PX 0.01291 -0.01666 -0.04287 0.04119 0.01399 208 3PY 0.11557 0.03385 0.05895 0.00241 -0.24822 209 3PZ 0.02517 -0.01417 -0.04341 -0.02831 -0.02850 210 4XX -0.00755 0.00413 0.00381 0.01080 -0.02859 211 4YY -0.01139 0.02027 0.02396 -0.02143 0.10426 212 4ZZ -0.01395 0.00101 -0.00456 -0.00812 -0.00992 213 4XY -0.00531 0.00549 -0.01548 0.00204 0.01543 214 4XZ 0.00012 0.00135 -0.00103 0.00233 0.00145 215 4YZ 0.00275 0.00755 -0.01873 0.00357 0.00853 91 92 93 94 95 V V V V V Eigenvalues -- 0.65500 0.67641 0.67943 0.68510 0.72188 1 1 C 1S 0.00931 -0.01428 0.00973 0.00995 -0.00313 2 2S -0.12893 -0.10502 -0.21157 0.02948 -0.09010 3 2PX -0.05863 0.02462 0.04106 -0.23063 -0.15483 4 2PY -0.09200 0.00335 -0.17941 -0.00800 -0.20157 5 2PZ -0.21117 0.05725 -0.58634 -0.04924 0.12561 6 3S 0.28121 0.15210 0.05182 -0.27843 0.70527 7 3PX 0.20225 -0.00462 -0.35986 0.23414 0.73636 8 3PY 0.26942 0.09953 -0.04479 0.01771 0.78581 9 3PZ 0.40188 -0.22185 1.08584 0.19375 -0.12089 10 4XX -0.00339 0.00509 -0.02019 -0.00908 0.03119 11 4YY 0.00338 -0.03115 -0.02384 0.01333 0.02086 12 4ZZ -0.00787 -0.00267 0.00615 0.00609 -0.02939 13 4XY -0.00217 0.00580 -0.01180 -0.00027 -0.02206 14 4XZ 0.00100 0.01844 0.02600 -0.01114 -0.00057 15 4YZ 0.00607 -0.01137 0.03141 -0.01465 -0.03540 16 2 C 1S -0.00221 0.00056 0.00174 -0.01226 -0.00373 17 2S 0.02061 -0.00844 -0.07720 0.06536 0.04867 18 2PX 0.04075 0.04337 0.13937 0.04957 -0.06645 19 2PY 0.00045 -0.03892 0.00194 -0.08725 0.01941 20 2PZ 0.08017 0.01653 0.00966 0.16435 0.05137 21 3S -0.03823 -0.10171 0.52275 0.11136 -0.51884 22 3PX -0.05673 -0.03551 -0.51321 -0.40283 0.38153 23 3PY -0.04291 0.10462 -0.01896 0.17036 -0.13301 24 3PZ -0.14571 -0.03008 0.10086 -0.12192 -0.33555 25 4XX 0.00011 -0.01066 0.00204 -0.00083 -0.01412 26 4YY 0.00659 0.00643 -0.00831 0.01365 0.02038 27 4ZZ -0.00329 0.00387 0.00858 -0.00639 -0.01560 28 4XY 0.00585 -0.00115 0.04297 -0.00742 -0.04337 29 4XZ 0.00682 0.00001 -0.01177 0.01139 0.03197 30 4YZ -0.00126 0.00055 -0.00672 0.00426 -0.01458 31 3 C 1S -0.00221 -0.00056 0.00174 0.01226 -0.00373 32 2S 0.02061 0.00844 -0.07720 -0.06536 0.04868 33 2PX 0.04076 -0.04336 0.13937 -0.04957 -0.06645 34 2PY -0.00045 -0.03892 -0.00194 -0.08725 -0.01941 35 2PZ 0.08018 -0.01653 0.00967 -0.16435 0.05137 36 3S -0.03824 0.10173 0.52275 -0.11135 -0.51884 37 3PX -0.05673 0.03550 -0.51322 0.40281 0.38154 38 3PY 0.04291 0.10462 0.01895 0.17036 0.13300 39 3PZ -0.14573 0.03008 0.10086 0.12192 -0.33555 40 4XX 0.00011 0.01066 0.00204 0.00083 -0.01412 41 4YY 0.00659 -0.00643 -0.00831 -0.01365 0.02038 42 4ZZ -0.00329 -0.00387 0.00857 0.00639 -0.01560 43 4XY -0.00585 -0.00115 -0.04297 -0.00742 0.04337 44 4XZ 0.00682 -0.00001 -0.01177 -0.01140 0.03197 45 4YZ 0.00126 0.00055 0.00672 0.00426 0.01458 46 4 C 1S 0.00931 0.01428 0.00973 -0.00995 -0.00313 47 2S -0.12893 0.10502 -0.21157 -0.02948 -0.09010 48 2PX -0.05863 -0.02462 0.04105 0.23063 -0.15483 49 2PY 0.09200 0.00335 0.17941 -0.00800 0.20157 50 2PZ -0.21118 -0.05726 -0.58634 0.04922 0.12561 51 3S 0.28121 -0.15210 0.05182 0.27843 0.70526 52 3PX 0.20225 0.00461 -0.35986 -0.23415 0.73637 53 3PY -0.26942 0.09953 0.04479 0.01773 -0.78580 54 3PZ 0.40189 0.22188 1.08584 -0.19372 -0.12091 55 4XX -0.00338 -0.00509 -0.02019 0.00908 0.03119 56 4YY 0.00338 0.03115 -0.02385 -0.01333 0.02086 57 4ZZ -0.00787 0.00267 0.00615 -0.00609 -0.02940 58 4XY 0.00217 0.00580 0.01180 -0.00027 0.02206 59 4XZ 0.00100 -0.01844 0.02600 0.01114 -0.00057 60 4YZ -0.00607 -0.01137 -0.03141 -0.01465 0.03540 61 5 H 1S 0.00807 -0.06886 -0.11239 0.10831 0.02522 62 2S 0.06025 0.10962 -0.19170 0.02594 0.27362 63 6 H 1S -0.01689 0.01327 0.04534 0.00787 -0.04411 64 2S 0.00190 0.04213 0.19460 0.15637 -0.21060 65 7 H 1S -0.01688 -0.01327 0.04534 -0.00787 -0.04411 66 2S 0.00189 -0.04212 0.19461 -0.15636 -0.21060 67 8 H 1S 0.00807 0.06885 -0.11239 -0.10831 0.02522 68 2S 0.06026 -0.10962 -0.19170 -0.02595 0.27361 69 9 C 1S -0.00917 0.00000 -0.04495 0.00000 0.02603 70 2S -0.02259 0.00000 0.23367 0.00000 -0.16803 71 2PX 0.30762 0.00000 -0.01652 0.00000 0.42613 72 2PY 0.00000 0.24028 0.00000 -0.01159 0.00000 73 2PZ -0.09501 0.00000 -0.18835 0.00000 0.06988 74 3S -0.37598 -0.00001 -0.84429 0.00000 -0.46960 75 3PX -0.56114 0.00001 0.20657 0.00001 -1.06094 76 3PY -0.00001 -0.40507 0.00000 -0.00896 0.00001 77 3PZ 0.16039 0.00000 0.24415 -0.00001 0.12428 78 4XX 0.01536 0.00000 0.05122 0.00000 0.00164 79 4YY -0.03612 0.00000 -0.03414 0.00000 -0.05673 80 4ZZ -0.01553 0.00000 -0.04047 0.00000 0.03230 81 4XY 0.00000 -0.00735 0.00000 -0.00266 0.00000 82 4XZ 0.01521 0.00000 0.00874 0.00000 0.06579 83 4YZ 0.00000 -0.01391 0.00000 0.00038 0.00000 84 10 H 1S 0.03702 0.00000 -0.01248 0.00000 0.07742 85 2S -0.18550 0.00000 0.07789 0.00001 -0.26144 86 11 H 1S -0.02599 0.00000 -0.24725 0.00000 0.27884 87 2S 0.01838 0.00000 -0.15466 0.00000 -0.00420 88 12 C 1S 0.00047 0.01626 -0.01663 -0.00309 -0.01160 89 2S -0.01492 0.00805 -0.08098 0.10701 0.00542 90 2PX -0.02910 -0.27506 0.05328 -0.15734 -0.03905 91 2PY -0.07561 0.32308 -0.02051 -0.15416 0.11756 92 2PZ -0.00346 0.00709 0.00680 -0.04187 -0.23169 93 3S -0.24379 0.70995 0.48740 -0.69511 -0.32408 94 3PX 0.24421 0.14885 -0.06493 0.36832 -0.16932 95 3PY 0.17186 -0.26238 0.13977 -0.15925 -0.46689 96 3PZ -0.08102 0.40218 0.15917 -0.42162 0.38716 97 4XX -0.03495 -0.00576 -0.00379 -0.00510 -0.01613 98 4YY 0.02367 0.04963 -0.01071 -0.01304 -0.01547 99 4ZZ -0.00172 -0.00705 -0.01152 0.01428 0.01652 100 4XY 0.01047 -0.00251 -0.00818 -0.00171 -0.04571 101 4XZ 0.03742 -0.04413 0.00927 0.01990 0.04292 102 4YZ -0.02320 -0.00814 0.01521 0.00707 0.00243 103 13 C 1S 0.00047 -0.01626 -0.01663 0.00309 -0.01160 104 2S -0.01492 -0.00806 -0.08097 -0.10701 0.00542 105 2PX -0.02910 0.27506 0.05327 0.15734 -0.03905 106 2PY 0.07561 0.32308 0.02051 -0.15416 -0.11756 107 2PZ -0.00346 -0.00709 0.00680 0.04187 -0.23169 108 3S -0.24380 -0.70993 0.48741 0.69513 -0.32408 109 3PX 0.24420 -0.14885 -0.06491 -0.36833 -0.16931 110 3PY -0.17188 -0.26239 -0.13974 -0.15926 0.46688 111 3PZ -0.08102 -0.40217 0.15917 0.42162 0.38715 112 4XX -0.03495 0.00576 -0.00379 0.00510 -0.01613 113 4YY 0.02367 -0.04963 -0.01071 0.01304 -0.01547 114 4ZZ -0.00172 0.00705 -0.01152 -0.01428 0.01652 115 4XY -0.01047 -0.00251 0.00818 -0.00171 0.04572 116 4XZ 0.03742 0.04413 0.00927 -0.01990 0.04292 117 4YZ 0.02320 -0.00814 -0.01521 0.00707 -0.00243 118 14 C 1S -0.04380 -0.00504 0.02375 0.01188 0.02794 119 2S 0.20132 0.01689 -0.14649 -0.03952 0.05346 120 2PX -0.12848 0.02244 0.04771 0.17450 -0.18683 121 2PY -0.54463 -0.00788 0.26537 0.27089 0.25973 122 2PZ 0.10507 0.24108 0.17051 0.22706 0.08599 123 3S 0.42364 -0.17130 -0.14460 -0.57226 -0.06879 124 3PX 0.23871 0.64441 -0.25700 -0.74076 0.62893 125 3PY 0.82323 0.45531 -0.40548 -0.54319 -1.11993 126 3PZ -0.16481 -0.70174 -0.20104 -0.34881 -0.32997 127 4XX 0.03157 -0.00771 -0.01649 -0.03152 -0.01969 128 4YY -0.08232 -0.02126 0.03772 0.04568 0.06941 129 4ZZ 0.03689 0.01604 -0.02148 -0.01380 0.00971 130 4XY -0.02117 -0.03081 -0.00728 -0.00316 0.00359 131 4XZ -0.00955 -0.00845 0.00084 0.01194 -0.03461 132 4YZ -0.00368 0.01241 0.00721 -0.00669 0.02697 133 15 C 1S 0.01812 0.04078 0.00023 -0.00142 -0.00072 134 2S 0.21138 0.06596 0.10290 -0.06197 0.20955 135 2PX 0.13407 0.09360 -0.03686 -0.39979 0.16058 136 2PY 0.02559 -0.37047 -0.04461 0.15088 -0.11018 137 2PZ 0.01708 -0.18782 -0.07235 -0.33026 0.10635 138 3S -0.44027 -0.60827 -0.13305 0.20149 0.20315 139 3PX -0.25312 0.11224 0.13988 0.78371 0.10706 140 3PY -0.04482 -0.56613 0.16371 -0.07096 0.20102 141 3PZ 0.08153 0.16164 0.07707 0.78815 -0.38777 142 4XX 0.01572 0.00994 0.00946 0.00225 0.06537 143 4YY 0.03645 0.07610 -0.00166 -0.03623 0.00261 144 4ZZ -0.00371 -0.01769 0.01570 0.01702 -0.02149 145 4XY 0.03211 -0.00142 -0.00558 0.00839 -0.01199 146 4XZ -0.02620 -0.03988 -0.02546 -0.01334 -0.04001 147 4YZ -0.01340 -0.00184 -0.00067 -0.00176 0.02813 148 16 C 1S 0.01812 -0.04078 0.00023 0.00142 -0.00072 149 2S 0.21138 -0.06596 0.10290 0.06197 0.20955 150 2PX 0.13408 -0.09361 -0.03687 0.39979 0.16059 151 2PY -0.02559 -0.37047 0.04462 0.15088 0.11018 152 2PZ 0.01708 0.18782 -0.07237 0.33026 0.10635 153 3S -0.44025 0.60827 -0.13306 -0.20150 0.20315 154 3PX -0.25313 -0.11224 0.13990 -0.78371 0.10705 155 3PY 0.04479 -0.56613 -0.16370 -0.07095 -0.20102 156 3PZ 0.08153 -0.16164 0.07710 -0.78815 -0.38778 157 4XX 0.01572 -0.00994 0.00946 -0.00225 0.06537 158 4YY 0.03645 -0.07610 -0.00166 0.03623 0.00261 159 4ZZ -0.00371 0.01769 0.01570 -0.01702 -0.02149 160 4XY -0.03211 -0.00142 0.00558 0.00839 0.01199 161 4XZ -0.02620 0.03988 -0.02546 0.01334 -0.04001 162 4YZ 0.01340 -0.00184 0.00067 -0.00176 -0.02813 163 17 C 1S -0.04380 0.00504 0.02375 -0.01188 0.02794 164 2S 0.20133 -0.01690 -0.14649 0.03951 0.05346 165 2PX -0.12848 -0.02243 0.04771 -0.17449 -0.18684 166 2PY 0.54464 -0.00789 -0.26538 0.27088 -0.25973 167 2PZ 0.10507 -0.24107 0.17052 -0.22706 0.08599 168 3S 0.42366 0.17128 -0.14462 0.57225 -0.06879 169 3PX 0.23869 -0.64442 -0.25701 0.74075 0.62895 170 3PY -0.82323 0.45533 0.40548 -0.54318 1.11993 171 3PZ -0.16480 0.70173 -0.20106 0.34882 -0.32998 172 4XX 0.03157 0.00770 -0.01649 0.03152 -0.01970 173 4YY -0.08232 0.02127 0.03772 -0.04568 0.06941 174 4ZZ 0.03690 -0.01604 -0.02148 0.01380 0.00971 175 4XY 0.02117 -0.03081 0.00729 -0.00316 -0.00359 176 4XZ -0.00955 0.00845 0.00084 -0.01194 -0.03461 177 4YZ 0.00368 0.01241 -0.00721 -0.00669 -0.02697 178 18 H 1S 0.03169 0.21088 -0.09562 0.00677 -0.14482 179 2S -0.08980 0.06251 0.02938 -0.00037 0.45866 180 19 H 1S 0.03168 -0.21088 -0.09561 -0.00677 -0.14482 181 2S -0.08980 -0.06251 0.02938 0.00036 0.45866 182 20 H 1S 0.25314 0.23694 0.02278 -0.03698 0.06533 183 2S -0.15024 -0.15548 0.07066 -0.06255 0.18983 184 21 H 1S 0.25314 -0.23695 0.02278 0.03698 0.06534 185 2S -0.15023 0.15548 0.07065 0.06255 0.18983 186 22 O 1S 0.02335 0.00912 -0.01157 0.00684 0.00471 187 2S -0.07816 -0.02310 0.05630 -0.03542 0.00096 188 2PX -0.05957 0.14072 -0.00382 -0.07379 -0.02606 189 2PY 0.24098 -0.04038 -0.11347 0.10526 -0.16737 190 2PZ 0.05838 -0.13820 0.06765 -0.03211 0.13151 191 3S 0.20217 -0.30002 -0.15464 0.18793 -0.54976 192 3PX -0.03708 0.06658 0.03177 -0.07902 -0.14174 193 3PY 0.11836 0.16369 -0.06255 0.02263 0.21212 194 3PZ -0.01345 -0.07692 0.00300 -0.02367 -0.06245 195 4XX -0.03141 0.00402 0.02130 -0.00427 0.00815 196 4YY 0.09845 -0.01633 -0.04866 0.05105 -0.06892 197 4ZZ -0.02932 -0.00579 0.02591 -0.03900 0.01573 198 4XY -0.01373 0.02033 -0.00128 0.00421 0.01736 199 4XZ 0.00270 0.00533 0.00057 0.00691 -0.00352 200 4YZ -0.01397 0.00592 0.00051 0.01022 0.00922 201 23 O 1S 0.02335 -0.00913 -0.01157 -0.00684 0.00471 202 2S -0.07816 0.02310 0.05630 0.03542 0.00096 203 2PX -0.05957 -0.14072 -0.00381 0.07379 -0.02606 204 2PY -0.24097 -0.04037 0.11347 0.10526 0.16737 205 2PZ 0.05838 0.13820 0.06764 0.03211 0.13151 206 3S 0.20218 0.30002 -0.15465 -0.18793 -0.54975 207 3PX -0.03708 -0.06658 0.03177 0.07902 -0.14174 208 3PY -0.11836 0.16370 0.06254 0.02263 -0.21211 209 3PZ -0.01345 0.07692 0.00300 0.02367 -0.06245 210 4XX -0.03141 -0.00402 0.02130 0.00427 0.00815 211 4YY 0.09844 0.01632 -0.04866 -0.05105 -0.06892 212 4ZZ -0.02932 0.00579 0.02591 0.03900 0.01573 213 4XY 0.01373 0.02033 0.00128 0.00420 -0.01736 214 4XZ 0.00270 -0.00533 0.00057 -0.00691 -0.00352 215 4YZ 0.01397 0.00592 -0.00051 0.01021 -0.00922 96 97 98 99 100 V V V V V Eigenvalues -- 0.73958 0.73981 0.78866 0.79702 0.80345 1 1 C 1S 0.01298 0.00566 -0.01619 -0.00442 -0.02484 2 2S -0.03497 0.11036 0.13797 -0.02799 -0.25544 3 2PX 0.33202 0.16950 0.16025 0.23963 0.01740 4 2PY -0.15908 0.28579 0.01300 0.02602 -0.16389 5 2PZ 0.11123 0.18679 -0.09577 -0.01067 -0.27227 6 3S -0.25587 -0.43833 -0.38191 -0.13475 0.51722 7 3PX -0.57256 -0.23084 -0.51777 -0.47824 -0.44478 8 3PY 0.18211 -0.55545 0.03699 0.14096 0.65696 9 3PZ -0.04235 -0.75984 0.25685 0.15813 1.10017 10 4XX -0.03679 -0.01940 -0.00425 0.00944 0.00050 11 4YY 0.06277 0.04365 0.02830 -0.01764 -0.04599 12 4ZZ -0.00618 -0.02623 -0.02729 -0.01327 -0.00552 13 4XY -0.01692 0.02515 -0.01876 -0.03070 -0.04710 14 4XZ 0.04181 0.00366 0.01589 -0.00041 0.03148 15 4YZ -0.00802 -0.03556 0.00082 -0.03131 0.04068 16 2 C 1S 0.00251 0.01348 -0.00064 0.01954 -0.01825 17 2S -0.35288 0.07793 0.07773 -0.07958 0.00281 18 2PX 0.11234 -0.05928 0.24833 -0.12442 0.29010 19 2PY -0.00041 0.18982 0.40862 0.17675 0.03464 20 2PZ -0.22307 -0.03671 -0.03604 -0.03208 -0.10651 21 3S 0.59727 -0.68218 -0.74401 0.58020 0.27066 22 3PX -0.30032 0.48086 -0.46907 0.28161 -1.15836 23 3PY 0.03293 -0.69067 -1.45771 -0.49568 -0.16812 24 3PZ 0.56775 0.02162 0.04568 -0.04567 0.38900 25 4XX 0.02299 0.02208 0.02696 0.01703 -0.00640 26 4YY -0.04736 -0.03258 -0.06148 0.00451 -0.00472 27 4ZZ -0.01239 0.01615 0.03037 -0.01308 0.01430 28 4XY -0.01972 -0.01567 0.00690 -0.00856 0.02287 29 4XZ 0.00977 -0.02943 -0.02385 -0.02073 0.00892 30 4YZ -0.00199 0.01435 -0.00843 -0.01335 -0.01912 31 3 C 1S 0.00254 -0.01347 0.00064 0.01954 0.01825 32 2S -0.35270 -0.07873 -0.07773 -0.07958 -0.00281 33 2PX 0.11221 0.05954 -0.24833 -0.12443 -0.29009 34 2PY -0.00002 0.18982 0.40862 -0.17674 0.03465 35 2PZ -0.22316 0.03620 0.03604 -0.03207 0.10651 36 3S 0.59572 0.68353 0.74400 0.58023 -0.27068 37 3PX -0.29923 -0.48154 0.46906 0.28165 1.15835 38 3PY -0.03137 -0.69074 -1.45772 0.49562 -0.16814 39 3PZ 0.56780 -0.02033 -0.04566 -0.04568 -0.38900 40 4XX 0.02304 -0.02203 -0.02696 0.01703 0.00640 41 4YY -0.04744 0.03247 0.06148 0.00451 0.00472 42 4ZZ -0.01235 -0.01618 -0.03037 -0.01308 -0.01430 43 4XY 0.01976 -0.01563 0.00690 0.00856 0.02287 44 4XZ 0.00970 0.02945 0.02385 -0.02073 -0.00892 45 4YZ 0.00195 0.01435 -0.00844 0.01334 -0.01912 46 4 C 1S 0.01300 -0.00563 0.01619 -0.00442 0.02484 47 2S -0.03471 -0.11044 -0.13796 -0.02799 0.25544 48 2PX 0.33240 -0.16875 -0.16026 0.23962 -0.01741 49 2PY 0.15844 0.28615 0.01300 -0.02604 -0.16388 50 2PZ 0.11166 -0.18654 0.09577 -0.01066 0.27227 51 3S -0.25687 0.43774 0.38189 -0.13476 -0.51720 52 3PX -0.57308 0.22955 0.51777 -0.47821 0.44480 53 3PY -0.18085 -0.55585 0.03700 -0.14089 0.65695 54 3PZ -0.04408 0.75974 -0.25685 0.15809 -1.10017 55 4XX -0.03683 0.01931 0.00425 0.00944 -0.00050 56 4YY 0.06287 -0.04351 -0.02830 -0.01764 0.04599 57 4ZZ -0.00624 0.02621 0.02729 -0.01327 0.00552 58 4XY 0.01686 0.02519 -0.01876 0.03069 -0.04710 59 4XZ 0.04182 -0.00356 -0.01589 -0.00041 -0.03148 60 4YZ 0.00809 -0.03554 0.00082 0.03132 0.04068 61 5 H 1S 0.08365 0.16293 -0.03387 -0.01345 -0.14052 62 2S -0.08198 -0.29841 -0.06600 0.10141 0.27283 63 6 H 1S 0.13509 0.06146 -0.06398 0.06430 -0.12945 64 2S 0.13490 -0.41257 -0.21412 -0.44104 0.58093 65 7 H 1S 0.13523 -0.06116 0.06397 0.06430 0.12944 66 2S 0.13397 0.41288 0.21413 -0.44105 -0.58091 67 8 H 1S 0.08402 -0.16274 0.03387 -0.01344 0.14052 68 2S -0.08264 0.29822 0.06600 0.10137 -0.27283 69 9 C 1S -0.00592 -0.00001 0.00000 0.00744 0.00000 70 2S -0.00297 0.00000 0.00000 -0.14779 0.00001 71 2PX -0.13908 -0.00016 0.00000 -0.26857 0.00001 72 2PY -0.00045 0.39491 0.03806 -0.00001 -0.34782 73 2PZ -0.24838 -0.00028 0.00000 -0.02091 0.00000 74 3S 0.13173 0.00015 0.00001 -0.24118 0.00000 75 3PX 0.05425 0.00006 -0.00001 0.79208 -0.00002 76 3PY 0.00139 -1.22527 0.11374 0.00003 1.64788 77 3PZ 1.15873 0.00131 0.00000 -0.04769 -0.00001 78 4XX -0.00249 0.00000 0.00000 -0.02779 0.00000 79 4YY -0.04586 -0.00005 0.00000 -0.02021 0.00000 80 4ZZ 0.05352 0.00006 0.00000 0.03132 0.00000 81 4XY 0.00001 -0.00787 0.02451 0.00000 0.01946 82 4XZ -0.01237 -0.00001 0.00000 0.10754 0.00000 83 4YZ -0.00005 0.04276 0.00919 0.00000 -0.03959 84 10 H 1S -0.17450 -0.00020 0.00000 -0.23982 0.00000 85 2S -0.41053 -0.00046 -0.00001 0.87752 -0.00002 86 11 H 1S -0.07482 -0.00008 0.00000 0.41188 -0.00001 87 2S -0.53433 -0.00060 0.00001 -0.69097 0.00002 88 12 C 1S 0.00753 -0.01461 -0.00381 0.00376 0.00935 89 2S -0.04691 0.04388 0.11320 0.08933 0.15173 90 2PX -0.31698 -0.12118 -0.17062 -0.12563 -0.21018 91 2PY 0.04086 -0.07143 -0.54579 -0.02999 0.00940 92 2PZ -0.25292 -0.15089 -0.01238 -0.13132 0.03251 93 3S -0.36401 0.91467 -1.94421 -0.67959 0.40711 94 3PX 0.36128 0.00091 0.68876 0.34797 0.52816 95 3PY -0.26737 -0.38873 2.22832 -0.09652 -0.59757 96 3PZ 0.29039 0.61615 -0.22361 0.08232 0.09421 97 4XX 0.02654 0.02453 0.03144 -0.01553 0.01465 98 4YY -0.01186 -0.00837 -0.08143 0.02346 0.00933 99 4ZZ -0.02495 -0.00727 0.01315 -0.00340 0.00709 100 4XY 0.05036 -0.00070 0.00204 -0.01880 0.00853 101 4XZ -0.00838 -0.01540 -0.00626 0.02960 -0.05381 102 4YZ -0.02088 -0.00435 -0.00051 0.03560 -0.00631 103 13 C 1S 0.00750 0.01462 0.00381 0.00376 -0.00935 104 2S -0.04681 -0.04398 -0.11320 0.08932 -0.15174 105 2PX -0.31726 0.12046 0.17062 -0.12562 0.21018 106 2PY -0.04070 -0.07152 -0.54579 0.02997 0.00940 107 2PZ -0.25326 0.15032 0.01238 -0.13132 -0.03250 108 3S -0.36194 -0.91548 1.94422 -0.67957 -0.40708 109 3PX 0.36129 -0.00010 -0.68875 0.34795 -0.52818 110 3PY 0.26825 -0.38813 2.22833 0.09655 -0.59758 111 3PZ 0.29179 -0.61550 0.22361 0.08231 -0.09423 112 4XX 0.02659 -0.02447 -0.03144 -0.01553 -0.01465 113 4YY -0.01188 0.00834 0.08143 0.02346 -0.00933 114 4ZZ -0.02497 0.00722 -0.01315 -0.00340 -0.00709 115 4XY -0.05036 -0.00082 0.00204 0.01880 0.00853 116 4XZ -0.00842 0.01538 0.00626 0.02960 0.05381 117 4YZ 0.02089 -0.00430 -0.00051 -0.03560 -0.00631 118 14 C 1S 0.00392 -0.02542 0.02216 -0.01368 -0.02311 119 2S -0.21254 -0.16485 -0.09364 -0.02737 -0.19391 120 2PX -0.06328 0.14597 -0.02427 0.03425 -0.09548 121 2PY -0.14618 -0.17981 0.14783 0.12497 -0.00482 122 2PZ 0.03574 0.13080 -0.00189 0.22383 -0.01087 123 3S 0.89602 0.13116 0.56918 -0.43309 -0.60657 124 3PX -0.00700 -0.00309 0.07103 0.37640 0.26720 125 3PY -0.21509 1.40106 -1.23371 0.70990 0.99148 126 3PZ -0.23650 -0.12625 0.02253 -0.67386 0.17309 127 4XX -0.01686 0.00115 0.00533 0.03487 -0.01687 128 4YY 0.03945 -0.10585 0.02698 -0.10279 -0.11901 129 4ZZ -0.01752 0.00970 -0.00512 0.01165 0.02776 130 4XY 0.00922 -0.00554 -0.00927 -0.00549 -0.03031 131 4XZ 0.01082 0.02722 -0.01921 0.00065 0.03324 132 4YZ -0.00999 -0.01106 0.02536 -0.01907 0.00195 133 15 C 1S -0.00338 -0.00809 0.01632 0.00968 -0.00236 134 2S -0.02623 -0.16273 0.04353 -0.21297 -0.09990 135 2PX -0.11061 0.01806 0.10202 0.19166 0.07226 136 2PY -0.11218 0.22002 -0.26947 0.24701 0.31374 137 2PZ -0.03750 0.03574 -0.01105 -0.07113 -0.00820 138 3S -0.20990 -1.03463 1.06208 1.02275 -1.03953 139 3PX 0.20754 -0.41170 -0.00250 -0.33148 -0.57063 140 3PY 0.34470 -1.22530 1.21680 -0.85595 -1.51086 141 3PZ 0.03303 0.28125 -0.15778 0.21217 0.19615 142 4XX -0.00006 -0.01950 0.00853 -0.02256 0.00754 143 4YY -0.01956 -0.05569 0.05396 0.00890 -0.06498 144 4ZZ 0.01558 -0.00603 -0.01455 -0.01405 0.00526 145 4XY 0.02036 -0.00397 0.00798 0.01217 -0.00562 146 4XZ -0.00758 0.04198 -0.02628 0.00522 0.01275 147 4YZ -0.01705 0.00168 -0.00648 0.01825 0.00110 148 16 C 1S -0.00340 0.00808 -0.01632 0.00968 0.00236 149 2S -0.02659 0.16267 -0.04352 -0.21296 0.09990 150 2PX -0.11056 -0.01831 -0.10203 0.19165 -0.07226 151 2PY 0.11169 0.22027 -0.26946 -0.24700 0.31374 152 2PZ -0.03742 -0.03583 0.01105 -0.07112 0.00820 153 3S -0.21222 1.03415 -1.06211 1.02278 1.03951 154 3PX 0.20660 0.41216 0.00252 -0.33143 0.57063 155 3PY -0.34196 -1.22608 1.21677 0.85591 -1.51089 156 3PZ 0.03365 -0.28118 0.15777 0.21214 -0.19616 157 4XX -0.00010 0.01950 -0.00853 -0.02256 -0.00754 158 4YY -0.01969 0.05564 -0.05396 0.00890 0.06498 159 4ZZ 0.01557 0.00606 0.01455 -0.01405 -0.00526 160 4XY -0.02035 -0.00402 0.00798 -0.01217 -0.00562 161 4XZ -0.00749 -0.04199 0.02627 0.00522 -0.01275 162 4YZ 0.01704 0.00171 -0.00648 -0.01825 0.00110 163 17 C 1S 0.00387 0.02543 -0.02216 -0.01368 0.02311 164 2S -0.21291 0.16437 0.09364 -0.02736 0.19391 165 2PX -0.06296 -0.14611 0.02427 0.03425 0.09548 166 2PY 0.14659 -0.17949 0.14783 -0.12497 -0.00482 167 2PZ 0.03604 -0.13072 0.00189 0.22383 0.01086 168 3S 0.89632 -0.12915 -0.56915 -0.43312 0.60656 169 3PX -0.00701 0.00309 -0.07105 0.37639 -0.26720 170 3PY 0.21193 1.40154 -1.23368 -0.70989 0.99150 171 3PZ -0.23677 0.12572 -0.02252 -0.67387 -0.17307 172 4XX -0.01686 -0.00119 -0.00533 0.03487 0.01687 173 4YY 0.03921 0.10594 -0.02697 -0.10279 0.11901 174 4ZZ -0.01750 -0.00974 0.00512 0.01165 -0.02776 175 4XY -0.00920 -0.00556 -0.00927 0.00548 -0.03030 176 4XZ 0.01088 -0.02720 0.01921 0.00065 -0.03324 177 4YZ 0.01002 -0.01104 0.02535 0.01907 0.00195 178 18 H 1S 0.07088 -0.02491 0.02874 -0.12745 0.15052 179 2S 0.06781 0.23243 -0.60242 0.24192 -0.09949 180 19 H 1S 0.07082 0.02506 -0.02873 -0.12746 -0.15051 181 2S 0.06834 -0.23227 0.60241 0.24193 0.09947 182 20 H 1S 0.08505 -0.08534 0.12302 0.05184 0.00660 183 2S 0.12019 -0.38868 0.17228 -0.62236 -0.62159 184 21 H 1S 0.08486 0.08553 -0.12302 0.05183 -0.00661 185 2S 0.11932 0.38895 -0.17226 -0.62232 0.62161 186 22 O 1S 0.01267 0.01350 -0.00351 -0.01908 0.01511 187 2S -0.09931 -0.12199 -0.11956 0.17698 -0.10437 188 2PX -0.05559 -0.10580 -0.06188 0.01630 0.04043 189 2PY -0.08881 -0.20155 0.13474 0.23322 -0.22618 190 2PZ 0.00792 -0.02246 -0.00756 0.07724 0.07134 191 3S -0.26268 -0.57372 0.86044 0.36508 -0.58431 192 3PX 0.03201 0.00415 0.08852 0.00841 -0.05368 193 3PY 0.31684 0.40764 -0.23377 -0.60509 0.58262 194 3PZ 0.01260 -0.00349 0.03723 0.05362 -0.06605 195 4XX -0.02076 -0.02472 -0.02215 0.05855 -0.02977 196 4YY -0.04882 -0.10352 0.01046 0.08968 -0.08636 197 4ZZ -0.02325 -0.02585 -0.05001 0.03985 -0.03314 198 4XY 0.00433 0.01032 -0.01075 0.00610 -0.00026 199 4XZ 0.01751 0.00714 -0.02764 -0.00662 0.01513 200 4YZ -0.00170 0.02032 -0.00952 -0.02472 0.00601 201 23 O 1S 0.01270 -0.01348 0.00351 -0.01908 -0.01511 202 2S -0.09958 0.12177 0.11955 0.17699 0.10437 203 2PX -0.05583 0.10568 0.06188 0.01630 -0.04043 204 2PY 0.08926 -0.20135 0.13474 -0.23322 -0.22618 205 2PZ 0.00787 0.02248 0.00756 0.07724 -0.07134 206 3S -0.26398 0.57312 -0.86046 0.36508 0.58431 207 3PX 0.03201 -0.00407 -0.08852 0.00841 0.05368 208 3PY -0.31776 0.40693 -0.23379 0.60509 0.58261 209 3PZ 0.01260 0.00352 -0.03723 0.05362 0.06605 210 4XX -0.02081 0.02468 0.02215 0.05855 0.02977 211 4YY -0.04905 0.10340 -0.01046 0.08968 0.08636 212 4ZZ -0.02331 0.02580 0.05001 0.03985 0.03314 213 4XY -0.00435 0.01031 -0.01075 -0.00610 -0.00026 214 4XZ 0.01753 -0.00710 0.02764 -0.00662 -0.01513 215 4YZ 0.00165 0.02032 -0.00952 0.02472 0.00601 101 102 103 104 105 V V V V V Eigenvalues -- 0.81980 0.82480 0.82489 0.82716 0.83429 1 1 C 1S 0.00737 -0.01328 0.03249 -0.01934 0.00179 2 2S 0.28726 0.24931 -0.28374 0.05998 0.10979 3 2PX 0.20201 -0.05757 0.18613 0.05174 0.15882 4 2PY 0.40266 -0.01255 0.31076 -0.41256 0.17729 5 2PZ -0.06500 -0.07849 -0.32564 0.07226 0.01860 6 3S -1.32933 -0.48328 0.57608 0.74948 -1.42873 7 3PX -0.75114 -0.28965 -0.84301 0.08216 -0.72168 8 3PY -1.35724 -0.03422 -0.88725 1.77096 -1.10984 9 3PZ 0.29343 -0.02076 1.57489 -0.11631 0.24101 10 4XX -0.00798 0.03867 -0.04641 0.02141 -0.02429 11 4YY 0.00251 -0.04778 0.04499 -0.03574 -0.00767 12 4ZZ 0.00328 0.02186 -0.02280 0.03698 0.01726 13 4XY -0.00508 -0.00627 0.01140 0.02443 -0.03881 14 4XZ -0.00861 -0.02798 0.02332 -0.01310 0.02662 15 4YZ 0.00246 0.00721 -0.00330 -0.00090 0.03720 16 2 C 1S -0.01316 0.01996 0.02007 0.01084 -0.00340 17 2S 0.23901 0.07110 -0.24369 -0.11529 -0.12117 18 2PX 0.19222 -0.17218 -0.07172 -0.20662 0.28364 19 2PY -0.11842 0.15779 0.24548 0.24237 -0.38981 20 2PZ -0.28010 0.10589 0.12116 0.25422 -0.39473 21 3S 0.24989 0.35230 0.86507 -1.23155 2.10597 22 3PX -0.82761 0.35154 -0.24939 1.21926 -1.46429 23 3PY 0.35112 -0.44779 -1.13381 -1.47666 1.69962 24 3PZ 0.88352 -0.29251 -0.15143 -1.10275 1.74509 25 4XX 0.04250 -0.00997 0.02499 -0.00915 0.01223 26 4YY 0.00773 0.02434 -0.04711 -0.04586 0.06365 27 4ZZ 0.00067 0.00419 -0.00073 -0.00600 -0.01892 28 4XY 0.08644 0.01640 -0.01625 0.00748 0.01549 29 4XZ -0.01452 -0.02877 -0.03364 0.01641 -0.00146 30 4YZ -0.07456 0.01183 0.01092 -0.00489 -0.01331 31 3 C 1S -0.01316 0.01995 -0.02008 -0.01084 0.00340 32 2S 0.23899 0.07118 0.24368 0.11530 0.12117 33 2PX 0.19221 -0.17218 0.07180 0.20660 -0.28364 34 2PY 0.11840 -0.15772 0.24555 0.24235 -0.38980 35 2PZ -0.28009 0.10588 -0.12122 -0.25421 0.39474 36 3S 0.24992 0.35178 -0.86521 1.23158 -2.10598 37 3PX -0.82760 0.35182 0.24921 -1.21923 1.46429 38 3PY -0.35105 0.44753 -1.13401 -1.47662 1.69961 39 3PZ 0.88350 -0.29259 0.15160 1.10272 -1.74510 40 4XX 0.04250 -0.00998 -0.02499 0.00915 -0.01223 41 4YY 0.00773 0.02435 0.04710 0.04587 -0.06365 42 4ZZ 0.00067 0.00419 0.00073 0.00600 0.01892 43 4XY -0.08644 -0.01641 -0.01625 0.00748 0.01549 44 4XZ -0.01452 -0.02875 0.03366 -0.01641 0.00146 45 4YZ 0.07456 -0.01182 0.01093 -0.00489 -0.01331 46 4 C 1S 0.00737 -0.01330 -0.03248 0.01933 -0.00179 47 2S 0.28724 0.24944 0.28365 -0.05995 -0.10980 48 2PX 0.20202 -0.05764 -0.18610 -0.05175 -0.15882 49 2PY -0.40268 0.01273 0.31073 -0.41256 0.17729 50 2PZ -0.06501 -0.07835 0.32567 -0.07227 -0.01861 51 3S -1.32929 -0.48342 -0.57594 -0.74954 1.42874 52 3PX -0.75118 -0.28930 0.84309 -0.08219 0.72168 53 3PY 1.35729 0.03363 -0.88720 1.77097 -1.10985 54 3PZ 0.29350 -0.02143 -1.57486 0.11630 -0.24100 55 4XX -0.00798 0.03870 0.04639 -0.02141 0.02429 56 4YY 0.00252 -0.04780 -0.04497 0.03573 0.00767 57 4ZZ 0.00328 0.02188 0.02279 -0.03698 -0.01726 58 4XY 0.00508 0.00627 0.01140 0.02443 -0.03881 59 4XZ -0.00861 -0.02800 -0.02331 0.01310 -0.02662 60 4YZ -0.00246 -0.00721 -0.00330 -0.00091 0.03720 61 5 H 1S 0.13876 -0.18736 0.20742 -0.22373 0.01742 62 2S -0.67680 0.25954 -1.20426 1.12583 -0.39616 63 6 H 1S -0.30476 0.06436 0.19063 0.13172 -0.21483 64 2S 1.05885 -0.50726 -0.70949 -1.16106 1.49482 65 7 H 1S -0.30475 0.06430 -0.19067 -0.13172 0.21483 66 2S 1.05879 -0.50713 0.70976 1.16101 -1.49482 67 8 H 1S 0.13877 -0.18747 -0.20733 0.22371 -0.01742 68 2S -0.67687 0.26018 1.20411 -1.12580 0.39616 69 9 C 1S 0.03352 0.00402 0.00000 0.00000 0.00000 70 2S -0.16670 -0.11286 0.00002 0.00000 0.00000 71 2PX 0.23528 -0.54530 0.00012 -0.00003 0.00000 72 2PY 0.00001 -0.00008 -0.37468 0.00083 -0.04963 73 2PZ 0.09294 -0.19251 0.00004 -0.00001 0.00000 74 3S 0.99050 0.22099 -0.00002 0.00002 0.00000 75 3PX -0.04906 1.78034 -0.00036 0.00011 0.00000 76 3PY -0.00004 0.00030 1.54088 0.44273 -0.04237 77 3PZ -0.77616 -0.06673 -0.00001 0.00000 0.00000 78 4XX 0.01255 -0.01084 0.00000 0.00000 0.00000 79 4YY 0.00659 0.02892 -0.00001 0.00000 0.00000 80 4ZZ 0.00950 -0.03112 0.00001 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00283 0.01649 -0.03344 82 4XZ -0.03269 0.06582 -0.00001 0.00000 0.00000 83 4YZ 0.00000 0.00000 -0.02108 -0.05058 0.03344 84 10 H 1S 0.17192 0.00387 0.00000 0.00000 0.00000 85 2S -0.15030 1.20367 -0.00025 0.00007 0.00000 86 11 H 1S 0.09035 0.30013 -0.00006 0.00001 0.00000 87 2S 0.31548 -0.90779 0.00019 -0.00005 0.00000 88 12 C 1S 0.00346 -0.01084 0.00028 -0.02318 -0.01864 89 2S 0.29088 0.32252 0.02548 0.02289 0.04158 90 2PX -0.08334 -0.01391 0.26832 0.17961 0.26135 91 2PY 0.13586 0.19059 0.18582 0.01784 -0.07887 92 2PZ -0.02523 0.05701 -0.01451 -0.17681 -0.13833 93 3S -0.79897 -0.70145 0.37585 1.44376 0.25051 94 3PX 0.23149 0.09835 -1.23659 -1.14328 -1.11385 95 3PY -0.51203 -0.53822 -0.25295 -0.66741 0.34607 96 3PZ 0.11842 0.06993 0.33037 1.11797 0.55698 97 4XX -0.01533 0.00760 0.00603 0.01016 0.00892 98 4YY 0.00747 -0.00148 0.02956 0.01785 -0.00767 99 4ZZ 0.04661 0.01119 -0.00592 0.00171 0.00269 100 4XY -0.00304 0.01951 -0.01389 -0.01338 -0.01594 101 4XZ -0.02424 -0.03755 -0.00014 -0.00782 0.00576 102 4YZ 0.01338 0.02418 0.00426 0.00712 0.00225 103 13 C 1S 0.00346 -0.01084 -0.00028 0.02318 0.01864 104 2S 0.29088 0.32251 -0.02559 -0.02284 -0.04159 105 2PX -0.08332 -0.01400 -0.26831 -0.17961 -0.26135 106 2PY -0.13587 -0.19051 0.18590 0.01781 -0.07887 107 2PZ -0.02523 0.05700 0.01449 0.17682 0.13833 108 3S -0.79897 -0.70143 -0.37561 -1.44385 -0.25050 109 3PX 0.23142 0.09871 1.23656 1.14328 1.11385 110 3PY 0.51201 0.53817 -0.25316 -0.66734 0.34606 111 3PZ 0.11843 0.06993 -0.33039 -1.11795 -0.55697 112 4XX -0.01533 0.00760 -0.00604 -0.01016 -0.00892 113 4YY 0.00747 -0.00149 -0.02956 -0.01785 0.00767 114 4ZZ 0.04661 0.01119 0.00592 -0.00170 -0.00269 115 4XY 0.00304 -0.01952 -0.01389 -0.01338 -0.01594 116 4XZ -0.02424 -0.03756 0.00015 0.00781 -0.00576 117 4YZ -0.01338 -0.02418 0.00427 0.00711 0.00225 118 14 C 1S 0.01094 0.01478 0.00094 -0.00636 0.00228 119 2S -0.04950 0.15496 -0.33046 -0.30881 -0.32276 120 2PX 0.12518 0.00415 -0.01558 0.06606 0.13007 121 2PY -0.00582 -0.11925 0.04808 -0.08510 -0.07329 122 2PZ 0.13160 0.06130 0.06415 0.07476 0.09144 123 3S 0.84101 0.65650 1.20748 2.35531 2.40489 124 3PX -0.18897 -0.03949 0.10311 -0.03228 -0.39051 125 3PY -0.17378 -0.28291 0.09522 1.27913 0.53044 126 3PZ -0.35945 -0.17036 -0.39941 -0.04845 -0.16931 127 4XX 0.03987 0.01117 0.00646 -0.02496 0.00262 128 4YY 0.02267 0.10858 -0.00294 0.05783 0.04260 129 4ZZ -0.03184 -0.03940 -0.02211 -0.02339 -0.03206 130 4XY 0.00704 0.02682 0.00460 0.00348 0.00294 131 4XZ -0.01363 -0.00898 0.01124 -0.00388 -0.00511 132 4YZ 0.00110 -0.00318 -0.01874 0.00679 -0.00541 133 15 C 1S 0.00218 0.01037 0.00089 0.01975 0.01624 134 2S 0.24986 0.00871 -0.01238 -0.12447 -0.12940 135 2PX 0.04889 0.07566 -0.05268 0.30868 0.23256 136 2PY -0.05093 0.00523 -0.12561 0.20999 -0.03515 137 2PZ -0.04747 -0.01297 -0.06360 -0.24489 -0.23992 138 3S -0.49356 -0.07994 0.19091 -1.42225 -0.30015 139 3PX -0.00334 -0.07135 0.19525 -1.64138 -1.11634 140 3PY 0.21584 0.14584 0.40830 -1.14375 0.17821 141 3PZ 0.12829 0.01413 0.21514 1.31682 1.18798 142 4XX -0.01112 0.00831 -0.02479 -0.00434 -0.02835 143 4YY 0.02100 -0.01173 0.02209 -0.05567 -0.00438 144 4ZZ 0.01680 0.00743 0.00587 -0.00246 -0.00472 145 4XY 0.01905 0.04891 0.00246 0.01534 0.01506 146 4XZ -0.01351 -0.03053 0.00610 -0.00162 0.00344 147 4YZ 0.01510 -0.01999 0.00072 -0.01684 -0.01245 148 16 C 1S 0.00218 0.01037 -0.00090 -0.01975 -0.01624 149 2S 0.24986 0.00870 0.01238 0.12447 0.12940 150 2PX 0.04889 0.07572 0.05266 -0.30867 -0.23256 151 2PY 0.05094 -0.00531 -0.12561 0.21000 -0.03514 152 2PZ -0.04747 -0.01297 0.06361 0.24489 0.23992 153 3S -0.49354 -0.08020 -0.19088 1.42224 0.30015 154 3PX -0.00333 -0.07164 -0.19523 1.64137 1.11634 155 3PY -0.21587 -0.14554 0.40837 -1.14380 0.17819 156 3PZ 0.12830 0.01421 -0.21513 -1.31682 -1.18798 157 4XX -0.01112 0.00832 0.02479 0.00434 0.02835 158 4YY 0.02100 -0.01175 -0.02209 0.05567 0.00438 159 4ZZ 0.01680 0.00742 -0.00587 0.00246 0.00472 160 4XY -0.01905 -0.04892 0.00248 0.01534 0.01506 161 4XZ -0.01351 -0.03053 -0.00609 0.00162 -0.00344 162 4YZ -0.01510 0.01999 0.00071 -0.01684 -0.01245 163 17 C 1S 0.01094 0.01478 -0.00095 0.00636 -0.00228 164 2S -0.04952 0.15505 0.33040 0.30883 0.32276 165 2PX 0.12518 0.00417 0.01559 -0.06607 -0.13007 166 2PY 0.00582 0.11928 0.04803 -0.08508 -0.07328 167 2PZ 0.13160 0.06129 -0.06417 -0.07475 -0.09144 168 3S 0.84109 0.65634 -1.20772 -2.35522 -2.40489 169 3PX -0.18896 -0.03954 -0.10310 0.03228 0.39052 170 3PY 0.17378 0.28279 0.09510 1.27918 0.53045 171 3PZ -0.35948 -0.17021 0.39946 0.04844 0.16932 172 4XX 0.03987 0.01116 -0.00647 0.02496 -0.00263 173 4YY 0.02267 0.10859 0.00290 -0.05781 -0.04259 174 4ZZ -0.03184 -0.03940 0.02213 0.02338 0.03206 175 4XY -0.00704 -0.02682 0.00461 0.00348 0.00294 176 4XZ -0.01363 -0.00898 -0.01124 0.00388 0.00511 177 4YZ -0.00110 0.00317 -0.01874 0.00679 -0.00541 178 18 H 1S 0.05648 0.02372 -0.05305 -0.06721 -0.13269 179 2S 0.24088 0.25310 0.53737 0.77280 0.41525 180 19 H 1S 0.05648 0.02373 0.05304 0.06722 0.13269 181 2S 0.24089 0.25297 -0.53746 -0.77276 -0.41525 182 20 H 1S 0.04242 0.25416 -0.01009 0.20604 0.15318 183 2S 0.10038 -0.21829 0.16674 -1.33302 -0.78300 184 21 H 1S 0.04243 0.25419 0.00999 -0.20600 -0.15318 185 2S 0.10039 -0.21852 -0.16666 1.33300 0.78300 186 22 O 1S 0.00371 0.01224 -0.00032 0.00072 -0.00354 187 2S 0.04415 -0.15252 -0.04711 0.06662 -0.03202 188 2PX 0.12949 0.01438 -0.00674 0.01977 -0.03009 189 2PY -0.05070 -0.24090 -0.01959 0.08351 0.06380 190 2PZ 0.10346 -0.00874 -0.07896 0.02646 -0.02500 191 3S -0.35633 -0.17800 0.24794 -0.25481 0.28353 192 3PX -0.08864 -0.00477 0.03451 -0.04554 -0.04284 193 3PY 0.17115 0.58231 0.01517 -0.18611 -0.23500 194 3PZ -0.05698 -0.01414 -0.00548 -0.03007 0.00667 195 4XX 0.01604 -0.05372 -0.02978 0.01542 -0.01479 196 4YY -0.01015 -0.08101 0.01097 0.05539 0.02362 197 4ZZ 0.01141 -0.05283 -0.02725 0.01016 -0.01649 198 4XY 0.00005 0.01584 0.00312 -0.00572 0.00090 199 4XZ 0.01964 0.02265 -0.01043 -0.00747 -0.02659 200 4YZ -0.00770 -0.00804 -0.00068 0.00339 0.00528 201 23 O 1S 0.00371 0.01224 0.00031 -0.00072 0.00354 202 2S 0.04415 -0.15249 0.04718 -0.06665 0.03202 203 2PX 0.12949 0.01439 0.00674 -0.01976 0.03009 204 2PY 0.05070 0.24087 -0.01969 0.08354 0.06381 205 2PZ 0.10345 -0.00871 0.07897 -0.02646 0.02500 206 3S -0.35631 -0.17812 -0.24788 0.25478 -0.28353 207 3PX -0.08864 -0.00480 -0.03451 0.04554 0.04284 208 3PY -0.17114 -0.58227 0.01540 -0.18620 -0.23500 209 3PZ -0.05698 -0.01414 0.00548 0.03006 -0.00667 210 4XX 0.01604 -0.05371 0.02980 -0.01543 0.01479 211 4YY -0.01015 -0.08100 -0.01093 -0.05540 -0.02362 212 4ZZ 0.01141 -0.05282 0.02727 -0.01017 0.01649 213 4XY -0.00005 -0.01584 0.00313 -0.00572 0.00090 214 4XZ 0.01964 0.02265 0.01042 0.00747 0.02659 215 4YZ 0.00770 0.00804 -0.00068 0.00339 0.00528 106 107 108 109 110 V V V V V Eigenvalues -- 0.84800 0.86110 0.88186 0.88398 0.89340 1 1 C 1S -0.02269 0.00406 0.00091 0.01104 0.00508 2 2S 0.15978 -0.08802 0.01502 0.18126 -0.21812 3 2PX 0.07475 -0.14274 0.15212 0.09475 -0.01343 4 2PY -0.28686 0.07917 -0.13190 0.07541 0.31112 5 2PZ 0.04020 -0.02588 0.11030 0.03355 -0.11381 6 3S -0.54432 0.53597 0.31865 -0.30078 0.71723 7 3PX -0.43435 0.41743 0.09612 -0.06356 0.10025 8 3PY 1.01301 -0.12778 0.34955 -0.23778 -0.59858 9 3PZ 0.17801 -0.13553 -0.31190 -0.03222 -0.00014 10 4XX -0.00472 -0.01560 0.03286 -0.01627 -0.03218 11 4YY -0.03166 0.03452 -0.03887 0.00775 0.02522 12 4ZZ 0.03818 -0.01444 0.01575 0.04228 -0.02050 13 4XY -0.00800 -0.00184 -0.01167 0.03687 0.01796 14 4XZ 0.00989 -0.00449 -0.01107 -0.03285 -0.01619 15 4YZ 0.02180 0.00517 0.01037 0.03083 -0.01046 16 2 C 1S -0.00446 -0.00806 0.00697 0.01806 0.01127 17 2S -0.01525 0.18751 -0.32462 -0.07908 -0.00611 18 2PX 0.11891 0.11981 -0.20979 -0.21977 -0.13599 19 2PY 0.07256 -0.14419 -0.15550 0.20140 0.09130 20 2PZ -0.05210 -0.11304 0.03098 0.21784 0.04230 21 3S -0.20285 -0.85117 0.89138 0.51980 -0.00916 22 3PX -0.41884 -0.19203 1.02755 0.40893 0.24266 23 3PY -0.58929 0.48030 0.56967 -0.35098 0.01255 24 3PZ 0.33732 0.15910 -0.42896 -0.27607 -0.13831 25 4XX 0.00828 -0.00462 -0.02711 0.03208 0.00704 26 4YY -0.01155 0.00620 0.01293 0.01281 0.00271 27 4ZZ -0.00117 0.01634 -0.02762 -0.05484 -0.00530 28 4XY 0.01642 -0.00108 0.01168 -0.03461 -0.02925 29 4XZ 0.00842 0.00959 0.01661 -0.03623 -0.03833 30 4YZ -0.01158 0.00643 -0.01501 0.02655 0.04336 31 3 C 1S 0.00446 -0.00806 -0.00697 0.01806 0.01127 32 2S 0.01525 0.18749 0.32462 -0.07912 -0.00610 33 2PX -0.11891 0.11980 0.20977 -0.21979 -0.13598 34 2PY 0.07257 0.14419 -0.15552 -0.20138 -0.09130 35 2PZ 0.05210 -0.11304 -0.03096 0.21784 0.04230 36 3S 0.20284 -0.85114 -0.89136 0.51991 -0.00918 37 3PX 0.41884 -0.19200 -1.02751 0.40906 0.24263 38 3PY -0.58930 -0.48029 0.56970 0.35090 -0.01255 39 3PZ -0.33732 0.15909 0.42893 -0.27613 -0.13830 40 4XX -0.00828 -0.00462 0.02711 0.03208 0.00704 41 4YY 0.01155 0.00620 -0.01293 0.01282 0.00271 42 4ZZ 0.00117 0.01634 0.02762 -0.05484 -0.00530 43 4XY 0.01642 0.00108 0.01169 0.03461 0.02925 44 4XZ -0.00842 0.00959 -0.01662 -0.03622 -0.03833 45 4YZ -0.01158 -0.00643 -0.01501 -0.02655 -0.04336 46 4 C 1S 0.02269 0.00406 -0.00091 0.01104 0.00508 47 2S -0.15978 -0.08802 -0.01499 0.18126 -0.21812 48 2PX -0.07475 -0.14273 -0.15212 0.09477 -0.01344 49 2PY -0.28685 -0.07917 -0.13190 -0.07539 -0.31112 50 2PZ -0.04020 -0.02588 -0.11029 0.03357 -0.11381 51 3S 0.54432 0.53598 -0.31869 -0.30073 0.71724 52 3PX 0.43435 0.41742 -0.09612 -0.06355 0.10025 53 3PY 1.01301 0.12775 0.34956 0.23775 0.59859 54 3PZ -0.17802 -0.13552 0.31189 -0.03226 -0.00013 55 4XX 0.00472 -0.01560 -0.03286 -0.01627 -0.03218 56 4YY 0.03166 0.03452 0.03887 0.00774 0.02522 57 4ZZ -0.03817 -0.01444 -0.01574 0.04228 -0.02050 58 4XY -0.00800 0.00184 -0.01167 -0.03687 -0.01796 59 4XZ -0.00989 -0.00449 0.01106 -0.03285 -0.01619 60 4YZ 0.02180 -0.00517 0.01036 -0.03083 0.01046 61 5 H 1S -0.19466 0.16153 -0.13021 -0.03206 0.19702 62 2S 0.84412 -0.28570 0.44236 -0.03973 -0.68701 63 6 H 1S -0.03367 -0.04605 -0.03486 0.26739 0.17891 64 2S 0.16388 0.48487 -0.46022 -0.72535 -0.36002 65 7 H 1S 0.03367 -0.04605 0.03489 0.26738 0.17891 66 2S -0.16387 0.48485 0.46017 -0.72541 -0.36001 67 8 H 1S 0.19466 0.16152 0.13020 -0.03208 0.19702 68 2S -0.84412 -0.28568 -0.44235 -0.03968 -0.68702 69 9 C 1S 0.00000 -0.01090 0.00000 -0.01636 -0.01430 70 2S 0.00000 0.38403 0.00004 0.53176 -0.00482 71 2PX 0.00000 -0.05300 0.00003 0.43640 -0.10005 72 2PY -0.00376 0.00000 -0.03910 0.00000 0.00000 73 2PZ 0.00000 0.15853 0.00003 0.34314 -0.06461 74 3S 0.00000 -0.52650 -0.00006 -0.77054 0.47867 75 3PX 0.00000 -0.32739 -0.00004 -0.64148 0.19030 76 3PY 0.38690 -0.00001 0.06096 0.00000 0.00000 77 3PZ 0.00001 0.10765 -0.00007 -1.09895 0.11959 78 4XX 0.00000 -0.03327 0.00000 0.01048 -0.05422 79 4YY 0.00000 0.03789 0.00001 0.11118 0.02125 80 4ZZ 0.00000 0.05290 0.00000 -0.05300 0.02797 81 4XY -0.00315 0.00000 0.02639 0.00000 0.00000 82 4XZ 0.00000 -0.05165 -0.00001 -0.08296 -0.00542 83 4YZ -0.02593 0.00000 0.00674 0.00000 0.00000 84 10 H 1S 0.00000 -0.24505 0.00000 0.06595 -0.23934 85 2S 0.00000 -0.02331 0.00000 -0.07116 0.12743 86 11 H 1S 0.00000 -0.33998 -0.00003 -0.46527 -0.09078 87 2S -0.00001 0.43766 0.00011 1.54935 -0.18713 88 12 C 1S -0.02659 -0.01423 0.00128 0.01629 -0.00814 89 2S 0.18267 0.24985 -0.17699 0.18063 0.23931 90 2PX 0.15205 0.12679 0.11027 -0.28451 0.07136 91 2PY 0.10767 0.15273 -0.28702 -0.03856 0.15197 92 2PZ -0.33893 -0.18215 0.48392 0.14463 -0.15206 93 3S 0.15375 -0.80491 0.00487 -0.80045 -0.71761 94 3PX -0.60301 -0.25474 -0.29846 0.77948 -0.01564 95 3PY -0.98364 -0.43826 1.40012 -0.18759 -0.41175 96 3PZ 1.16108 0.35645 -1.30422 -0.50780 0.23387 97 4XX 0.00399 0.00838 -0.01208 -0.02136 0.00552 98 4YY 0.02817 0.01777 -0.04892 0.01623 0.02086 99 4ZZ -0.00422 -0.00171 0.01839 0.03142 0.00092 100 4XY -0.00331 -0.02736 0.00685 0.03019 0.00514 101 4XZ 0.02230 0.02160 -0.02412 -0.03703 -0.00827 102 4YZ 0.00576 0.02824 -0.02427 -0.01852 0.06761 103 13 C 1S 0.02659 -0.01423 -0.00128 0.01629 -0.00814 104 2S -0.18267 0.24984 0.17701 0.18061 0.23932 105 2PX -0.15205 0.12680 -0.11030 -0.28450 0.07136 106 2PY 0.10767 -0.15273 -0.28701 0.03860 -0.15198 107 2PZ 0.33893 -0.18213 -0.48390 0.14469 -0.15209 108 3S -0.15375 -0.80488 -0.00497 -0.80047 -0.71762 109 3PX 0.60299 -0.25478 0.29855 0.77947 -0.01566 110 3PY -0.98364 0.43822 1.40015 0.18739 0.41177 111 3PZ -1.16107 0.35643 1.30417 -0.50797 0.23396 112 4XX -0.00398 0.00838 0.01207 -0.02136 0.00552 113 4YY -0.02817 0.01777 0.04892 0.01622 0.02086 114 4ZZ 0.00421 -0.00171 -0.01839 0.03142 0.00092 115 4XY -0.00331 0.02736 0.00684 -0.03019 -0.00514 116 4XZ -0.02230 0.02159 0.02412 -0.03703 -0.00827 117 4YZ 0.00576 -0.02824 -0.02426 0.01852 -0.06761 118 14 C 1S -0.00901 0.00086 -0.01012 -0.00308 0.01660 119 2S -0.14086 0.05066 -0.22382 -0.24958 0.26840 120 2PX 0.16488 -0.18020 0.09601 -0.04770 -0.13702 121 2PY 0.03042 0.00101 0.03361 0.04794 -0.09459 122 2PZ 0.04883 -0.04381 0.09791 0.12836 0.04154 123 3S 0.26899 -0.32069 0.46208 1.09566 -0.78728 124 3PX -0.45262 0.63708 -0.16763 0.47905 0.63516 125 3PY 0.20952 -0.15622 -0.19389 0.24152 -0.40105 126 3PZ 0.17642 -0.16728 -0.61061 -0.49729 -0.38765 127 4XX 0.00975 -0.02424 0.03074 0.01629 0.03416 128 4YY -0.06355 0.02281 -0.09414 0.00263 0.00994 129 4ZZ 0.00868 0.01370 0.00189 -0.03115 -0.00035 130 4XY 0.03178 0.01907 -0.00541 0.03255 0.01773 131 4XZ 0.00320 0.01043 0.00286 0.00801 -0.01396 132 4YZ -0.02396 0.00076 -0.02351 -0.01160 -0.00888 133 15 C 1S -0.01572 0.00482 -0.00322 -0.00191 -0.01420 134 2S 0.08427 -0.68855 -0.11481 -0.09763 0.06282 135 2PX -0.31070 0.19766 -0.08509 0.03119 -0.32122 136 2PY -0.34587 0.21667 -0.14504 0.04232 -0.16498 137 2PZ 0.20672 -0.14758 -0.03569 -0.02463 0.23027 138 3S 0.40686 1.77909 0.74002 0.28083 0.19011 139 3PX 0.92949 -0.35368 0.37818 0.01407 0.80562 140 3PY 1.56539 -0.67704 0.58377 -0.11418 0.10341 141 3PZ -0.55188 0.16531 0.19123 0.02616 -0.63919 142 4XX -0.03633 0.02121 -0.03841 -0.01852 0.01438 143 4YY 0.06796 -0.06214 0.02416 -0.01206 -0.00622 144 4ZZ -0.00417 -0.04044 0.00157 0.00353 0.01061 145 4XY -0.01488 0.04600 -0.00461 0.01763 -0.05753 146 4XZ 0.04920 -0.01254 0.02323 0.00910 0.04308 147 4YZ 0.00629 -0.04113 0.00838 0.00378 0.05773 148 16 C 1S 0.01572 0.00482 0.00322 -0.00191 -0.01420 149 2S -0.08427 -0.68855 0.11478 -0.09764 0.06282 150 2PX 0.31069 0.19765 0.08511 0.03118 -0.32121 151 2PY -0.34587 -0.21667 -0.14506 -0.04231 0.16498 152 2PZ -0.20672 -0.14759 0.03567 -0.02464 0.23027 153 3S -0.40685 1.77909 -0.73994 0.28092 0.19009 154 3PX -0.92947 -0.35366 -0.37822 0.01412 0.80561 155 3PY 1.56540 0.67705 0.58381 0.11412 -0.10339 156 3PZ 0.55187 0.16533 -0.19119 0.02618 -0.63921 157 4XX 0.03633 0.02121 0.03841 -0.01853 0.01438 158 4YY -0.06796 -0.06214 -0.02416 -0.01206 -0.00622 159 4ZZ 0.00417 -0.04044 -0.00157 0.00353 0.01061 160 4XY -0.01488 -0.04600 -0.00462 -0.01763 0.05753 161 4XZ -0.04920 -0.01254 -0.02323 0.00911 0.04308 162 4YZ 0.00629 0.04113 0.00838 -0.00378 -0.05773 163 17 C 1S 0.00901 0.00086 0.01011 -0.00308 0.01660 164 2S 0.14087 0.05065 0.22378 -0.24960 0.26840 165 2PX -0.16489 -0.18019 -0.09601 -0.04769 -0.13702 166 2PY 0.03043 -0.00101 0.03360 -0.04795 0.09459 167 2PZ -0.04883 -0.04381 -0.09790 0.12837 0.04153 168 3S -0.26900 -0.32065 -0.46192 1.09569 -0.78727 169 3PX 0.45263 0.63709 0.16767 0.47903 0.63521 170 3PY 0.20952 0.15620 -0.19392 -0.24149 0.40104 171 3PZ -0.17642 -0.16732 0.61056 -0.49737 -0.38763 172 4XX -0.00975 -0.02424 -0.03074 0.01630 0.03416 173 4YY 0.06355 0.02281 0.09414 0.00262 0.00995 174 4ZZ -0.00868 0.01370 -0.00189 -0.03115 -0.00035 175 4XY 0.03178 -0.01907 -0.00541 -0.03255 -0.01773 176 4XZ -0.00320 0.01043 -0.00286 0.00801 -0.01396 177 4YZ -0.02396 -0.00076 -0.02351 0.01160 0.00888 178 18 H 1S -0.19920 -0.21301 0.25496 0.10562 -0.29949 179 2S 1.10975 0.70684 -1.23274 -0.44701 0.59583 180 19 H 1S 0.19919 -0.21300 -0.25495 0.10565 -0.29950 181 2S -1.10975 0.70682 1.23270 -0.44718 0.59590 182 20 H 1S -0.30465 0.25657 -0.08828 0.11710 -0.28212 183 2S 1.28999 -1.05977 0.27115 -0.13588 0.94693 184 21 H 1S 0.30465 0.25657 0.08831 0.11710 -0.28212 185 2S -1.28998 -1.05977 -0.27124 -0.13585 0.94693 186 22 O 1S 0.00727 0.00363 0.00362 -0.00287 0.00596 187 2S -0.12776 -0.06952 -0.20494 -0.00893 0.04568 188 2PX 0.04515 0.00495 -0.00914 0.02315 0.05766 189 2PY -0.08846 -0.02708 -0.13092 -0.04582 0.01535 190 2PZ 0.02852 0.03300 -0.04936 0.11189 0.13400 191 3S 0.05612 0.06360 0.42594 -0.03679 -0.16993 192 3PX -0.10396 -0.06426 -0.06437 -0.06603 -0.16507 193 3PY 0.23385 0.07216 0.25099 0.04456 0.07622 194 3PZ -0.03836 -0.04666 -0.04439 -0.04824 -0.10342 195 4XX -0.03620 -0.02695 -0.06871 0.00439 0.00356 196 4YY -0.04879 -0.01914 -0.07773 -0.03432 0.04328 197 4ZZ -0.03924 -0.01108 -0.05650 0.00302 -0.00277 198 4XY 0.01492 0.03108 -0.00758 0.01843 0.00378 199 4XZ -0.01111 -0.01109 -0.02588 0.01687 -0.01719 200 4YZ -0.00425 -0.01100 0.01200 -0.00766 -0.01170 201 23 O 1S -0.00727 0.00363 -0.00362 -0.00287 0.00596 202 2S 0.12776 -0.06952 0.20493 -0.00896 0.04569 203 2PX -0.04515 0.00495 0.00914 0.02315 0.05766 204 2PY -0.08846 0.02708 -0.13091 0.04583 -0.01535 205 2PZ -0.02852 0.03300 0.04937 0.11189 0.13400 206 3S -0.05612 0.06361 -0.42595 -0.03673 -0.16993 207 3PX 0.10397 -0.06426 0.06436 -0.06604 -0.16507 208 3PY 0.23385 -0.07217 0.25098 -0.04459 -0.07621 209 3PZ 0.03836 -0.04666 0.04439 -0.04825 -0.10342 210 4XX 0.03620 -0.02695 0.06871 0.00438 0.00356 211 4YY 0.04879 -0.01914 0.07772 -0.03433 0.04328 212 4ZZ 0.03924 -0.01108 0.05650 0.00301 -0.00277 213 4XY 0.01492 -0.03108 -0.00758 -0.01843 -0.00378 214 4XZ 0.01111 -0.01109 0.02588 0.01686 -0.01718 215 4YZ -0.00425 0.01100 0.01200 0.00765 0.01170 111 112 113 114 115 V V V V V Eigenvalues -- 0.91002 0.91387 0.93184 0.94844 0.98571 1 1 C 1S -0.01238 0.00013 0.00270 0.00363 -0.00977 2 2S -0.36760 0.44037 0.25136 -0.02837 0.22975 3 2PX -0.15572 -0.05040 0.12736 -0.26405 -0.12975 4 2PY 0.18746 -0.23995 -0.31019 0.03638 0.10683 5 2PZ 0.10096 0.00418 0.09823 0.02992 -0.12984 6 3S 1.63380 -0.88529 -0.87395 0.44830 -0.04433 7 3PX 0.67298 0.05152 -0.45193 0.77769 -0.07154 8 3PY -0.63375 0.40743 0.54620 -0.21302 0.23168 9 3PZ -0.71438 0.09558 -0.14984 -0.41767 0.45131 10 4XX -0.02217 0.03430 0.01950 -0.00190 -0.03353 11 4YY -0.03248 -0.03976 -0.06014 0.02106 0.08996 12 4ZZ 0.01305 0.06002 0.07198 -0.01725 -0.03762 13 4XY 0.00643 -0.03676 0.02682 0.01198 0.01093 14 4XZ 0.01057 -0.02342 0.00606 -0.01951 -0.00592 15 4YZ -0.00406 0.01700 0.04024 -0.00654 -0.01536 16 2 C 1S 0.00090 0.00185 -0.00061 -0.00724 -0.00866 17 2S -0.42820 0.39801 0.01316 0.27417 -0.28323 18 2PX -0.13842 0.09869 -0.06083 -0.07297 -0.02017 19 2PY -0.24141 -0.12285 -0.00657 0.00805 0.13614 20 2PZ 0.19953 -0.16208 0.02870 0.09432 0.03840 21 3S 1.13131 -0.71864 0.33839 -0.87513 0.93991 22 3PX 1.08713 -0.25913 0.08403 0.25854 -0.01839 23 3PY 1.46264 0.23459 -0.19681 0.32637 -0.47929 24 3PZ -0.88813 0.35837 0.02426 -0.41789 -0.07108 25 4XX -0.03554 0.03437 -0.00467 -0.00590 -0.00374 26 4YY 0.02551 0.03236 -0.00041 0.00909 -0.01493 27 4ZZ -0.04135 -0.01505 -0.00022 0.01499 -0.02350 28 4XY -0.00394 0.04049 0.03801 -0.01125 -0.01189 29 4XZ 0.05200 0.02576 -0.00520 -0.00299 -0.00103 30 4YZ 0.00376 -0.05999 0.02307 0.01576 -0.01898 31 3 C 1S -0.00090 0.00185 -0.00061 0.00724 -0.00866 32 2S 0.42819 0.39803 0.01317 -0.27418 -0.28321 33 2PX 0.13842 0.09870 -0.06083 0.07297 -0.02017 34 2PY -0.24142 0.12284 0.00657 0.00805 -0.13614 35 2PZ -0.19952 -0.16209 0.02870 -0.09432 0.03841 36 3S -1.13128 -0.71870 0.33838 0.87518 0.93984 37 3PX -1.08712 -0.25918 0.08404 -0.25854 -0.01837 38 3PY 1.46265 -0.23452 0.19680 0.32640 0.47927 39 3PZ 0.88811 0.35840 0.02425 0.41789 -0.07112 40 4XX 0.03554 0.03438 -0.00467 0.00590 -0.00374 41 4YY -0.02551 0.03236 -0.00041 -0.00909 -0.01493 42 4ZZ 0.04135 -0.01504 -0.00022 -0.01499 -0.02350 43 4XY -0.00394 -0.04049 -0.03801 -0.01125 0.01189 44 4XZ -0.05200 0.02576 -0.00520 0.00299 -0.00103 45 4YZ 0.00376 0.05999 -0.02307 0.01576 0.01897 46 4 C 1S 0.01238 0.00013 0.00270 -0.00363 -0.00977 47 2S 0.36758 0.44038 0.25136 0.02838 0.22972 48 2PX 0.15573 -0.05040 0.12736 0.26405 -0.12976 49 2PY 0.18744 0.23996 0.31019 0.03639 -0.10684 50 2PZ -0.10096 0.00418 0.09823 -0.02992 -0.12984 51 3S -1.63377 -0.88534 -0.87396 -0.44833 -0.04424 52 3PX -0.67299 0.05149 -0.45192 -0.77771 -0.07150 53 3PY -0.63371 -0.40746 -0.54619 -0.21303 -0.23167 54 3PZ 0.71438 0.09562 -0.14984 0.41768 0.45129 55 4XX 0.02217 0.03430 0.01950 0.00190 -0.03353 56 4YY 0.03248 -0.03976 -0.06014 -0.02105 0.08996 57 4ZZ -0.01306 0.06002 0.07198 0.01725 -0.03762 58 4XY 0.00643 0.03676 -0.02682 0.01198 -0.01093 59 4XZ -0.01057 -0.02342 0.00606 0.01951 -0.00592 60 4YZ -0.00406 -0.01700 -0.04024 -0.00654 0.01536 61 5 H 1S 0.02977 -0.20145 -0.25813 0.03122 0.15553 62 2S -0.54773 0.66572 0.82538 -0.16432 -0.18250 63 6 H 1S -0.06343 -0.12206 0.02526 0.06588 -0.04865 64 2S -0.34093 0.70100 -0.16734 0.00411 -0.35311 65 7 H 1S 0.06344 -0.12206 0.02526 -0.06588 -0.04864 66 2S 0.34090 0.70102 -0.16735 -0.00413 -0.35311 67 8 H 1S -0.02976 -0.20146 -0.25813 -0.03122 0.15553 68 2S 0.54770 0.66575 0.82539 0.16433 -0.18251 69 9 C 1S 0.00000 0.00721 -0.00673 0.00000 0.03965 70 2S -0.00001 0.40286 0.01635 0.00000 0.02266 71 2PX 0.00000 -0.08666 0.15986 0.00000 0.11778 72 2PY 0.07732 0.00000 0.00000 0.01373 0.00000 73 2PZ 0.00000 0.09078 0.14459 0.00000 -0.24225 74 3S 0.00003 -0.98479 -0.29725 0.00000 -0.33881 75 3PX 0.00001 0.00163 0.24883 0.00000 -0.52222 76 3PY -0.47972 -0.00002 0.00001 -0.43745 0.00000 77 3PZ 0.00000 -0.25519 -0.10932 0.00001 0.63767 78 4XX 0.00000 -0.00423 0.07520 0.00000 0.04689 79 4YY 0.00000 0.06972 0.03937 0.00000 -0.07300 80 4ZZ 0.00000 -0.00516 -0.11601 0.00000 0.05378 81 4XY -0.05250 0.00000 0.00000 -0.02296 0.00000 82 4XZ 0.00000 0.04261 -0.03205 0.00000 -0.07115 83 4YZ -0.00403 0.00000 0.00000 0.01128 0.00000 84 10 H 1S 0.00000 -0.06664 0.25489 0.00001 0.47198 85 2S 0.00000 0.35547 -0.13497 -0.00001 -0.99463 86 11 H 1S 0.00000 0.06327 -0.37275 0.00000 0.26986 87 2S -0.00001 0.26892 0.48079 0.00000 -0.23474 88 12 C 1S -0.00066 0.00317 0.00078 0.01655 -0.00270 89 2S 0.28587 0.04930 0.30448 -0.08722 0.47819 90 2PX 0.02560 -0.18468 0.13149 -0.12221 0.06108 91 2PY -0.24905 0.01036 0.15956 0.13781 0.11294 92 2PZ -0.34304 0.12643 -0.38813 -0.00464 -0.00993 93 3S -1.29425 -0.48752 -0.37119 -0.99116 -1.03872 94 3PX -0.84847 0.54929 -0.47054 1.54984 0.11732 95 3PY 2.17056 -0.17693 -0.06538 -1.59354 -0.37549 96 3PZ 1.75540 -0.31035 0.73173 -0.87376 0.06921 97 4XX 0.00633 0.00031 0.05030 -0.01003 0.00761 98 4YY -0.02782 0.01405 0.01646 0.00924 0.06191 99 4ZZ 0.04779 -0.01471 0.00179 -0.01739 -0.02931 100 4XY -0.00384 -0.00797 -0.04732 0.01976 0.01349 101 4XZ -0.04976 -0.02726 0.03989 0.02837 -0.02413 102 4YZ -0.00907 -0.01993 0.06605 -0.00291 -0.01102 103 13 C 1S 0.00066 0.00317 0.00078 -0.01655 -0.00270 104 2S -0.28587 0.04930 0.30447 0.08724 0.47820 105 2PX -0.02560 -0.18469 0.13148 0.12222 0.06107 106 2PY -0.24905 -0.01037 -0.15957 0.13780 -0.11295 107 2PZ 0.34304 0.12644 -0.38813 0.00463 -0.00993 108 3S 1.29426 -0.48749 -0.37119 0.99112 -1.03878 109 3PX 0.84847 0.54933 -0.47052 -1.54987 0.11742 110 3PY 2.17055 0.17701 0.06544 -1.59351 0.37559 111 3PZ -1.75539 -0.31041 0.73171 0.87378 0.06918 112 4XX -0.00633 0.00031 0.05029 0.01003 0.00761 113 4YY 0.02782 0.01405 0.01646 -0.00924 0.06191 114 4ZZ -0.04779 -0.01471 0.00179 0.01739 -0.02931 115 4XY -0.00384 0.00797 0.04732 0.01976 -0.01349 116 4XZ 0.04976 -0.02726 0.03989 -0.02837 -0.02413 117 4YZ -0.00907 0.01993 -0.06604 -0.00291 0.01102 118 14 C 1S -0.00669 0.00520 0.00177 -0.01215 -0.02154 119 2S -0.25034 0.21191 0.10440 -0.30620 -0.53083 120 2PX -0.18321 -0.19208 0.22625 0.18529 -0.08962 121 2PY 0.13225 -0.00967 -0.09407 0.14377 -0.00003 122 2PZ -0.00770 0.17499 -0.01190 -0.27931 -0.01649 123 3S 1.44370 -0.91158 -0.25093 1.15708 1.34174 124 3PX 1.61708 1.02441 -0.96790 -2.81934 0.08831 125 3PY -0.38028 -0.04178 0.20663 -0.76377 -0.24632 126 3PZ -0.44705 -0.83072 0.26941 2.29573 -0.07226 127 4XX -0.02613 0.02151 0.02177 0.00464 -0.01128 128 4YY -0.02233 -0.02371 -0.02733 -0.06050 -0.06938 129 4ZZ 0.03251 0.01267 0.00289 0.01069 0.00942 130 4XY 0.00008 0.04765 -0.01203 -0.00955 0.01153 131 4XZ -0.02195 -0.01375 -0.01056 0.00378 0.01464 132 4YZ -0.00606 -0.02823 -0.00289 0.00730 -0.02336 133 15 C 1S -0.00205 -0.01850 0.00800 0.00204 -0.00187 134 2S 0.08825 -0.28489 0.17509 -0.44793 -0.14072 135 2PX 0.03283 -0.20577 -0.04104 0.28210 -0.11451 136 2PY 0.01148 -0.02750 -0.02450 -0.31321 -0.08852 137 2PZ 0.07668 0.17529 -0.01174 -0.16995 0.01524 138 3S 0.28033 1.18364 -0.80946 2.47783 -0.26482 139 3PX 0.07735 0.72704 -0.12119 -2.07619 0.20426 140 3PY -0.33866 -0.35971 0.22136 4.09192 0.44323 141 3PZ -0.58574 -0.58669 0.24010 1.45836 -0.01387 142 4XX 0.02796 -0.01471 -0.01812 -0.05935 -0.02409 143 4YY 0.00359 -0.03015 0.02633 0.05449 -0.02450 144 4ZZ -0.00925 0.00772 0.01818 -0.04503 0.03517 145 4XY -0.01510 -0.05487 0.01861 0.00102 0.01385 146 4XZ -0.00430 0.05205 -0.00992 0.04338 -0.00354 147 4YZ -0.00065 0.04102 0.00507 -0.00273 -0.04466 148 16 C 1S 0.00205 -0.01850 0.00800 -0.00204 -0.00187 149 2S -0.08824 -0.28489 0.17508 0.44794 -0.14073 150 2PX -0.03283 -0.20577 -0.04104 -0.28211 -0.11451 151 2PY 0.01148 0.02750 0.02451 -0.31320 0.08854 152 2PZ -0.07668 0.17529 -0.01174 0.16995 0.01524 153 3S -0.28038 1.18361 -0.80941 -2.47790 -0.26475 154 3PX -0.07737 0.72705 -0.12125 2.07623 0.20416 155 3PY -0.33868 0.35970 -0.22147 4.09187 -0.44340 156 3PZ 0.58575 -0.58668 0.24014 -1.45835 -0.01381 157 4XX -0.02796 -0.01471 -0.01813 0.05935 -0.02409 158 4YY -0.00359 -0.03015 0.02633 -0.05449 -0.02449 159 4ZZ 0.00925 0.00772 0.01818 0.04504 0.03517 160 4XY -0.01510 0.05487 -0.01861 0.00102 -0.01385 161 4XZ 0.00430 0.05205 -0.00991 -0.04338 -0.00353 162 4YZ -0.00065 -0.04102 -0.00507 -0.00273 0.04466 163 17 C 1S 0.00669 0.00520 0.00177 0.01215 -0.02154 164 2S 0.25033 0.21192 0.10439 0.30618 -0.53084 165 2PX 0.18321 -0.19207 0.22626 -0.18528 -0.08962 166 2PY 0.13224 0.00968 0.09407 0.14378 0.00003 167 2PZ 0.00769 0.17499 -0.01191 0.27931 -0.01650 168 3S -1.44367 -0.91165 -0.25089 -1.15703 1.34176 169 3PX -1.61712 1.02435 -0.96799 2.81929 0.08819 170 3PY -0.38027 0.04175 -0.20663 -0.76380 0.24634 171 3PZ 0.44707 -0.83071 0.26947 -2.29571 -0.07214 172 4XX 0.02613 0.02151 0.02177 -0.00463 -0.01128 173 4YY 0.02233 -0.02370 -0.02733 0.06050 -0.06938 174 4ZZ -0.03251 0.01267 0.00289 -0.01069 0.00942 175 4XY 0.00008 -0.04765 0.01203 -0.00955 -0.01152 176 4XZ 0.02196 -0.01375 -0.01056 -0.00378 0.01464 177 4YZ -0.00606 0.02823 0.00289 0.00730 0.02336 178 18 H 1S 0.15720 -0.02273 -0.29553 -0.08130 -0.08409 179 2S 0.49030 -0.22141 1.03820 -0.17277 0.38303 180 19 H 1S -0.15720 -0.02274 -0.29553 0.08129 -0.08409 181 2S -0.49029 -0.22142 1.03819 0.17281 0.38304 182 20 H 1S -0.01117 -0.14067 -0.06947 -0.05283 0.09205 183 2S 0.11039 0.48427 0.08818 -0.38383 0.16509 184 21 H 1S 0.01118 -0.14067 -0.06947 0.05284 0.09205 185 2S -0.11039 0.48428 0.08817 0.38385 0.16508 186 22 O 1S -0.00284 -0.00217 -0.00242 -0.00777 0.00823 187 2S -0.10380 0.01137 0.07372 -0.13795 0.07589 188 2PX 0.04888 -0.22869 0.02975 0.09473 -0.20233 189 2PY -0.02055 0.06239 0.05697 -0.11962 0.13277 190 2PZ 0.17723 0.02189 -0.12621 0.02495 -0.18142 191 3S 0.52843 0.17583 0.03044 0.82046 -0.53825 192 3PX 0.17426 0.13171 0.14649 -0.42368 0.24058 193 3PY 0.01785 -0.14883 -0.08373 0.10988 -0.13173 194 3PZ -0.21047 0.09341 0.09809 0.27236 0.20919 195 4XX -0.02244 0.00255 0.01579 -0.06040 0.03119 196 4YY -0.00930 0.03157 0.04880 -0.02677 0.01750 197 4ZZ -0.06815 -0.00870 0.00115 -0.07674 0.07707 198 4XY -0.01220 0.02347 -0.00634 0.00714 0.02565 199 4XZ -0.01215 -0.01501 0.00688 -0.02917 0.02555 200 4YZ -0.00375 -0.02088 -0.00699 -0.02806 0.00422 201 23 O 1S 0.00284 -0.00217 -0.00242 0.00777 0.00823 202 2S 0.10380 0.01137 0.07371 0.13796 0.07589 203 2PX -0.04887 -0.22870 0.02976 -0.09473 -0.20234 204 2PY -0.02055 -0.06239 -0.05697 -0.11963 -0.13277 205 2PZ -0.17723 0.02188 -0.12621 -0.02496 -0.18142 206 3S -0.52844 0.17581 0.03045 -0.82049 -0.53823 207 3PX -0.17427 0.13170 0.14647 0.42370 0.24058 208 3PY 0.01785 0.14883 0.08372 0.10988 0.13174 209 3PZ 0.21046 0.09341 0.09809 -0.27235 0.20920 210 4XX 0.02244 0.00255 0.01579 0.06040 0.03119 211 4YY 0.00931 0.03157 0.04880 0.02677 0.01750 212 4ZZ 0.06815 -0.00870 0.00115 0.07674 0.07707 213 4XY -0.01220 -0.02347 0.00634 0.00714 -0.02566 214 4XZ 0.01215 -0.01501 0.00688 0.02917 0.02555 215 4YZ -0.00375 0.02088 0.00699 -0.02806 -0.00422 116 117 118 119 120 V V V V V Eigenvalues -- 1.01500 1.02556 1.03787 1.04649 1.05893 1 1 C 1S -0.00081 -0.01690 0.00582 -0.00537 0.00336 2 2S -0.24647 -0.51359 -0.13887 0.08892 -0.02214 3 2PX -0.18390 -0.08200 0.17710 -0.08060 0.03965 4 2PY 0.04824 0.02383 0.10372 -0.05617 0.00742 5 2PZ 0.05408 0.05800 -0.07308 0.04944 0.06233 6 3S 1.11038 2.22272 0.15748 0.34319 0.09301 7 3PX 1.01137 0.76942 -0.40448 0.55026 0.05173 8 3PY -0.70323 0.12371 -0.07358 0.35373 -0.22794 9 3PZ -0.59374 -0.40839 0.53459 -0.47608 -0.16036 10 4XX 0.01637 0.06143 -0.02803 0.02143 0.03136 11 4YY -0.06932 -0.06961 -0.00360 0.00182 -0.02750 12 4ZZ 0.03358 -0.04303 0.01866 -0.00836 -0.00024 13 4XY 0.01058 -0.01132 0.00902 -0.01383 0.01053 14 4XZ -0.00181 0.00049 0.01359 -0.01935 -0.00706 15 4YZ 0.00837 0.03855 -0.03197 0.00957 0.01615 16 2 C 1S 0.02045 -0.00592 -0.00504 0.00215 0.00272 17 2S 0.65600 0.13869 -0.09244 0.02868 0.16272 18 2PX -0.12895 -0.08142 -0.05273 0.01293 -0.04547 19 2PY -0.20495 -0.08056 0.06680 -0.03233 0.00877 20 2PZ -0.05171 0.13974 0.01364 0.06468 0.00673 21 3S -2.30237 -0.78990 0.66025 -0.67592 -0.31603 22 3PX 0.26612 0.85954 -0.08091 0.54170 0.15268 23 3PY 1.14026 0.75197 -0.22375 0.06190 0.14140 24 3PZ 0.05975 -1.03630 0.11699 -0.57938 -0.05094 25 4XX 0.04153 -0.04965 0.04098 -0.00732 -0.00039 26 4YY 0.05223 0.01394 -0.01030 0.00530 0.00519 27 4ZZ -0.00661 0.03451 -0.04106 -0.00164 0.01400 28 4XY -0.04409 0.01482 -0.00368 0.01203 0.00213 29 4XZ -0.03016 0.02005 0.00245 0.02144 -0.01557 30 4YZ 0.04913 -0.00606 -0.02986 -0.01008 -0.00105 31 3 C 1S 0.02045 0.00592 -0.00504 -0.00215 -0.00272 32 2S 0.65599 -0.13870 -0.09244 -0.02870 -0.16276 33 2PX -0.12895 0.08142 -0.05273 -0.01293 0.04548 34 2PY 0.20496 -0.08056 -0.06679 -0.03234 0.00876 35 2PZ -0.05171 -0.13974 0.01364 -0.06468 -0.00673 36 3S -2.30234 0.78994 0.66023 0.67598 0.31615 37 3PX 0.26613 -0.85954 -0.08090 -0.54172 -0.15270 38 3PY -1.14027 0.75200 0.22376 0.06191 0.14144 39 3PZ 0.05975 1.03629 0.11697 0.57939 0.05095 40 4XX 0.04153 0.04965 0.04098 0.00732 0.00038 41 4YY 0.05223 -0.01394 -0.01030 -0.00530 -0.00520 42 4ZZ -0.00661 -0.03451 -0.04106 0.00164 -0.01399 43 4XY 0.04409 0.01482 0.00368 0.01203 0.00213 44 4XZ -0.03016 -0.02005 0.00245 -0.02144 0.01558 45 4YZ -0.04913 -0.00606 0.02986 -0.01008 -0.00105 46 4 C 1S -0.00081 0.01690 0.00582 0.00537 -0.00336 47 2S -0.24647 0.51360 -0.13886 -0.08893 0.02218 48 2PX -0.18390 0.08199 0.17709 0.08061 -0.03966 49 2PY -0.04824 0.02383 -0.10372 -0.05618 0.00744 50 2PZ 0.05408 -0.05800 -0.07308 -0.04945 -0.06233 51 3S 1.11037 -2.22272 0.15746 -0.34320 -0.09312 52 3PX 1.01137 -0.76943 -0.40446 -0.55029 -0.05176 53 3PY 0.70323 0.12369 0.07357 0.35374 -0.22799 54 3PZ -0.59375 0.40841 0.53458 0.47611 0.16038 55 4XX 0.01637 -0.06143 -0.02803 -0.02143 -0.03136 56 4YY -0.06932 0.06961 -0.00360 -0.00182 0.02750 57 4ZZ 0.03358 0.04303 0.01866 0.00836 0.00024 58 4XY -0.01058 -0.01132 -0.00902 -0.01383 0.01053 59 4XZ -0.00181 -0.00049 0.01359 0.01935 0.00706 60 4YZ -0.00837 0.03855 0.03197 0.00957 0.01615 61 5 H 1S -0.26307 -0.16842 0.07895 -0.03513 -0.15050 62 2S -0.18974 0.01108 -0.28831 0.31937 0.02953 63 6 H 1S 0.27923 -0.05808 0.00089 -0.11552 0.03388 64 2S 0.51148 -0.13847 -0.09559 -0.13316 0.02456 65 7 H 1S 0.27923 0.05808 0.00088 0.11552 -0.03389 66 2S 0.51147 0.13846 -0.09559 0.13316 -0.02458 67 8 H 1S -0.26307 0.16843 0.07895 0.03514 0.15050 68 2S -0.18974 -0.01108 -0.28830 -0.31939 -0.02948 69 9 C 1S -0.01195 0.00000 0.02227 0.00000 0.00000 70 2S -0.58152 0.00001 -0.15363 -0.00001 -0.00001 71 2PX 0.20215 0.00000 0.39671 0.00002 0.00000 72 2PY 0.00000 -0.10298 0.00000 0.02929 0.00708 73 2PZ -0.42054 0.00000 -0.12186 -0.00001 -0.00001 74 3S 2.60841 -0.00003 -0.07231 0.00002 0.00001 75 3PX -0.69945 0.00000 -0.91492 -0.00004 -0.00001 76 3PY 0.00000 0.39473 0.00001 -0.29711 -0.12842 77 3PZ 0.49354 0.00001 0.15685 0.00001 0.00002 78 4XX 0.02192 0.00000 0.08104 0.00000 0.00000 79 4YY -0.01671 0.00000 -0.04288 0.00000 0.00000 80 4ZZ -0.07108 0.00000 -0.03236 0.00000 0.00000 81 4XY 0.00000 0.02120 0.00000 0.00096 0.00610 82 4XZ 0.01905 0.00000 0.00991 0.00000 0.00000 83 4YZ 0.00000 0.01558 0.00000 0.02235 -0.00300 84 10 H 1S 0.28397 0.00000 0.43370 0.00002 0.00001 85 2S -1.35074 0.00000 -1.14652 -0.00006 -0.00003 86 11 H 1S 0.13577 0.00000 0.18093 0.00001 0.00001 87 2S -0.59572 0.00000 0.13243 0.00000 -0.00001 88 12 C 1S -0.00799 -0.00602 -0.00220 0.00237 0.01137 89 2S -0.15281 0.38413 -0.20119 0.01924 0.02941 90 2PX -0.17563 -0.13007 -0.02326 0.09036 0.08227 91 2PY 0.05941 -0.05047 -0.15596 -0.01131 0.14577 92 2PZ -0.01066 0.09342 -0.01077 -0.13018 0.01410 93 3S -0.04201 -0.12709 0.49175 -0.75658 -0.64064 94 3PX 0.48763 0.87780 0.16705 -0.39363 0.39155 95 3PY -0.15408 -0.72574 0.51197 1.37474 -0.11999 96 3PZ -0.05525 -0.37991 -0.08959 0.66137 -0.56186 97 4XX -0.00233 0.05477 0.01087 0.02882 0.01992 98 4YY -0.02312 0.02972 0.00025 -0.01714 0.00430 99 4ZZ -0.00100 -0.03463 -0.03740 -0.01787 -0.01977 100 4XY 0.04422 -0.04133 0.00387 0.01194 0.00289 101 4XZ -0.02446 -0.03377 0.01207 0.02428 0.00567 102 4YZ 0.06578 0.02305 0.04739 0.01727 -0.01027 103 13 C 1S -0.00799 0.00602 -0.00220 -0.00237 -0.01137 104 2S -0.15282 -0.38411 -0.20120 -0.01926 -0.02940 105 2PX -0.17563 0.13007 -0.02325 -0.09036 -0.08225 106 2PY -0.05941 -0.05048 0.15596 -0.01130 0.14577 107 2PZ -0.01066 -0.09341 -0.01078 0.13018 -0.01409 108 3S -0.04201 0.12707 0.49174 0.75662 0.64065 109 3PX 0.48762 -0.87781 0.16698 0.39365 -0.39157 110 3PY 0.15407 -0.72572 -0.51208 1.37469 -0.12001 111 3PZ -0.05524 0.37990 -0.08954 -0.66138 0.56184 112 4XX -0.00233 -0.05477 0.01088 -0.02882 -0.01992 113 4YY -0.02312 -0.02972 0.00025 0.01714 -0.00430 114 4ZZ -0.00100 0.03463 -0.03740 0.01787 0.01977 115 4XY -0.04422 -0.04133 -0.00387 0.01194 0.00289 116 4XZ -0.02446 0.03377 0.01207 -0.02428 -0.00567 117 4YZ -0.06578 0.02305 -0.04739 0.01727 -0.01026 118 14 C 1S -0.01843 -0.00443 0.02443 -0.00404 -0.00374 119 2S -0.38428 -0.36214 0.47265 -0.00622 0.08752 120 2PX 0.01168 -0.00810 0.01413 -0.22417 0.02380 121 2PY -0.04840 -0.26727 -0.01631 0.10679 0.10427 122 2PZ -0.04648 -0.10641 0.10437 -0.10378 0.03740 123 3S 1.03670 0.31391 -1.83392 -0.12242 -0.04092 124 3PX -0.07774 -0.41815 0.30960 1.53451 -0.56542 125 3PY 0.33732 0.64544 0.61884 -0.66446 -0.65174 126 3PZ 0.13403 0.65553 -0.56906 -0.12264 0.12757 127 4XX 0.01401 -0.06727 0.01811 0.00525 0.04498 128 4YY -0.03073 0.02378 0.06954 -0.03165 -0.02270 129 4ZZ -0.03752 -0.01528 -0.04023 0.01715 -0.01032 130 4XY 0.00937 -0.01893 0.00546 0.01151 -0.09037 131 4XZ 0.01590 0.08714 -0.01086 -0.01802 -0.02175 132 4YZ -0.02551 0.02632 -0.00345 -0.02677 0.04484 133 15 C 1S -0.00299 0.00996 -0.02252 -0.01022 0.01709 134 2S -0.14002 -0.13381 -0.54732 -0.03832 0.60372 135 2PX -0.02475 -0.11379 -0.00431 0.02425 0.07405 136 2PY 0.00920 -0.22543 0.16743 0.10066 0.04586 137 2PZ -0.07978 0.04929 -0.06034 -0.01946 -0.10996 138 3S -0.13974 -0.42696 1.83698 0.80932 -0.80104 139 3PX -0.13523 -0.00647 0.10372 0.38333 -0.24559 140 3PY 0.08690 0.48058 -0.96902 -0.55003 0.67653 141 3PZ 0.26507 -0.05437 0.11062 -0.70129 0.47557 142 4XX -0.03556 -0.00835 -0.08461 0.03710 0.03365 143 4YY -0.00450 0.00853 -0.04066 -0.00695 0.03350 144 4ZZ 0.01943 -0.02101 0.04765 -0.02823 0.04085 145 4XY 0.02858 0.03328 -0.03617 -0.00704 -0.00336 146 4XZ -0.00383 0.03531 0.01051 -0.00258 -0.08304 147 4YZ -0.02036 -0.02626 0.02078 0.01524 0.01310 148 16 C 1S -0.00300 -0.00996 -0.02252 0.01022 -0.01709 149 2S -0.14002 0.13381 -0.54733 0.03828 -0.60374 150 2PX -0.02475 0.11379 -0.00431 -0.02425 -0.07405 151 2PY -0.00920 -0.22543 -0.16744 0.10064 0.04586 152 2PZ -0.07978 -0.04929 -0.06034 0.01946 0.10996 153 3S -0.13973 0.42694 1.83704 -0.80918 0.80105 154 3PX -0.13524 0.00648 0.10379 -0.38333 0.24560 155 3PY -0.08689 0.48056 0.96911 -0.54994 0.67653 156 3PZ 0.26507 0.05436 0.11055 0.70130 -0.47557 157 4XX -0.03556 0.00835 -0.08460 -0.03711 -0.03365 158 4YY -0.00450 -0.00853 -0.04066 0.00695 -0.03351 159 4ZZ 0.01943 0.02101 0.04765 0.02823 -0.04085 160 4XY -0.02858 0.03328 0.03617 -0.00704 -0.00336 161 4XZ -0.00383 -0.03531 0.01051 0.00258 0.08304 162 4YZ 0.02035 -0.02626 -0.02078 0.01524 0.01311 163 17 C 1S -0.01843 0.00443 0.02443 0.00404 0.00374 164 2S -0.38428 0.36213 0.47265 0.00625 -0.08752 165 2PX 0.01168 0.00809 0.01411 0.22417 -0.02381 166 2PY 0.04839 -0.26727 0.01630 0.10679 0.10427 167 2PZ -0.04648 0.10641 0.10436 0.10378 -0.03741 168 3S 1.03671 -0.31387 -1.83394 0.12229 0.04092 169 3PX -0.07773 0.41816 0.30974 -1.53447 0.56543 170 3PY -0.33732 0.64545 -0.61881 -0.66450 -0.65175 171 3PZ 0.13403 -0.65552 -0.56910 0.12261 -0.12751 172 4XX 0.01401 0.06727 0.01811 -0.00525 -0.04499 173 4YY -0.03073 -0.02378 0.06954 0.03165 0.02271 174 4ZZ -0.03752 0.01528 -0.04023 -0.01716 0.01032 175 4XY -0.00937 -0.01894 -0.00546 0.01151 -0.09037 176 4XZ 0.01590 -0.08714 -0.01086 0.01802 0.02175 177 4YZ 0.02551 0.02632 0.00346 -0.02677 0.04484 178 18 H 1S -0.10679 -0.16717 -0.12681 -0.13760 -0.12236 179 2S 0.00573 0.05932 -0.20222 0.31788 -0.12450 180 19 H 1S -0.10679 0.16717 -0.12682 0.13759 0.12236 181 2S 0.00574 -0.05931 -0.20220 -0.31790 0.12449 182 20 H 1S 0.01860 0.02685 -0.15164 0.04395 0.15033 183 2S -0.17813 0.19999 -0.49252 0.02681 0.01778 184 21 H 1S 0.01860 -0.02684 -0.15163 -0.04396 -0.15033 185 2S -0.17814 -0.19998 -0.49251 -0.02685 -0.01778 186 22 O 1S -0.00229 -0.00020 -0.01670 -0.00352 -0.00565 187 2S -0.05949 -0.09699 -0.16177 0.03422 0.02565 188 2PX 0.04910 -0.23871 -0.10154 -0.16490 -0.39005 189 2PY 0.07037 0.18734 -0.22952 -0.18124 -0.21283 190 2PZ 0.06889 -0.07059 -0.17640 -0.51867 0.21972 191 3S 0.09655 -0.02227 1.00323 0.17862 0.29455 192 3PX -0.01668 0.27542 0.11938 0.43464 0.49627 193 3PY -0.11692 -0.32630 0.14370 0.27406 0.25696 194 3PZ -0.12431 0.15718 0.32670 0.69992 -0.30757 195 4XX -0.00108 -0.00230 -0.06504 -0.00444 -0.02768 196 4YY -0.02711 -0.04302 -0.03758 0.01830 0.01701 197 4ZZ -0.00693 -0.00226 -0.10883 -0.02159 -0.01042 198 4XY 0.01033 0.02670 0.00122 -0.00786 0.05159 199 4XZ 0.01024 -0.01207 -0.06496 -0.00940 -0.02228 200 4YZ -0.00796 -0.01246 -0.01159 0.02903 -0.03549 201 23 O 1S -0.00229 0.00020 -0.01670 0.00352 0.00565 202 2S -0.05949 0.09699 -0.16176 -0.03424 -0.02565 203 2PX 0.04911 0.23871 -0.10154 0.16490 0.39006 204 2PY -0.07037 0.18733 0.22953 -0.18122 -0.21284 205 2PZ 0.06889 0.07059 -0.17644 0.51867 -0.21968 206 3S 0.09655 0.02224 1.00323 -0.17854 -0.29454 207 3PX -0.01668 -0.27542 0.11940 -0.43463 -0.49629 208 3PY 0.11691 -0.32630 -0.14372 0.27406 0.25697 209 3PZ -0.12430 -0.15718 0.32674 -0.69991 0.30751 210 4XX -0.00108 0.00230 -0.06504 0.00443 0.02768 211 4YY -0.02711 0.04302 -0.03758 -0.01831 -0.01701 212 4ZZ -0.00693 0.00226 -0.10883 0.02158 0.01042 213 4XY -0.01033 0.02670 -0.00122 -0.00786 0.05159 214 4XZ 0.01024 0.01207 -0.06496 0.00939 0.02228 215 4YZ 0.00796 -0.01247 0.01159 0.02903 -0.03549 121 122 123 124 125 V V V V V Eigenvalues -- 1.06136 1.09491 1.11592 1.14930 1.16924 1 1 C 1S -0.00460 0.01313 0.00234 -0.00365 0.01784 2 2S -0.44547 0.16939 0.18740 0.18492 0.42707 3 2PX -0.03090 -0.13506 -0.01403 0.17816 -0.06632 4 2PY 0.16335 0.08588 -0.07051 0.23430 0.08467 5 2PZ 0.01044 0.02698 -0.00135 -0.16898 -0.05079 6 3S 1.47738 0.38346 -0.23874 0.98405 -1.98096 7 3PX 0.38143 0.80879 0.00816 -0.30608 0.06271 8 3PY -0.46477 -0.67750 0.38950 -0.65681 -1.45538 9 3PZ -0.20062 -0.43419 0.12050 0.54772 -0.44696 10 4XX -0.00896 0.03868 0.02800 0.03423 0.03754 11 4YY -0.02010 0.02966 0.00336 -0.01753 -0.00052 12 4ZZ -0.01745 -0.04172 0.00057 -0.00089 -0.02341 13 4XY -0.04226 -0.03056 0.00670 -0.06925 0.03699 14 4XZ -0.01759 -0.05823 0.00696 -0.10665 -0.03555 15 4YZ -0.03154 -0.00916 0.01857 0.01198 0.06733 16 2 C 1S 0.01831 0.01635 -0.00048 -0.00702 -0.00416 17 2S 0.45536 0.49624 -0.00689 -0.28477 -0.26515 18 2PX -0.05670 -0.04797 0.01404 -0.07107 -0.01969 19 2PY -0.04112 0.00117 0.01186 -0.01787 -0.05268 20 2PZ 0.00338 0.09597 -0.02640 0.16027 -0.00466 21 3S -1.32966 -1.66623 0.07151 1.16407 0.55308 22 3PX 0.31571 0.65202 -0.02825 1.27743 -0.41524 23 3PY 0.36907 0.10997 -0.09076 -0.17284 0.44375 24 3PZ -0.17127 -0.67729 0.05805 -1.55095 0.34003 25 4XX 0.02111 0.01909 0.00445 -0.00390 -0.06282 26 4YY 0.05641 0.01951 -0.00326 -0.00757 -0.03758 27 4ZZ -0.02012 0.02077 -0.00485 -0.03372 0.08008 28 4XY -0.02959 0.00361 -0.01479 0.08071 0.05385 29 4XZ -0.01629 -0.02171 0.01093 0.00985 -0.03999 30 4YZ 0.00089 -0.00781 -0.03662 -0.06889 0.07664 31 3 C 1S 0.01831 -0.01635 -0.00048 0.00702 -0.00416 32 2S 0.45534 -0.49624 -0.00690 0.28476 -0.26515 33 2PX -0.05670 0.04797 0.01404 0.07107 -0.01969 34 2PY 0.04112 0.00117 -0.01186 -0.01786 0.05268 35 2PZ 0.00338 -0.09597 -0.02640 -0.16027 -0.00465 36 3S -1.32958 1.66624 0.07151 -1.16408 0.55308 37 3PX 0.31568 -0.65203 -0.02826 -1.27745 -0.41519 38 3PY -0.36907 0.10997 0.09077 -0.17287 -0.44372 39 3PZ -0.17126 0.67729 0.05806 1.55097 0.33996 40 4XX 0.02111 -0.01909 0.00445 0.00390 -0.06282 41 4YY 0.05641 -0.01951 -0.00326 0.00757 -0.03758 42 4ZZ -0.02013 -0.02077 -0.00485 0.03372 0.08008 43 4XY 0.02959 0.00360 0.01479 0.08071 -0.05386 44 4XZ -0.01629 0.02171 0.01093 -0.00985 -0.03999 45 4YZ -0.00089 -0.00781 0.03662 -0.06889 -0.07663 46 4 C 1S -0.00460 -0.01313 0.00234 0.00365 0.01784 47 2S -0.44547 -0.16938 0.18740 -0.18491 0.42708 48 2PX -0.03090 0.13506 -0.01403 -0.17816 -0.06632 49 2PY -0.16336 0.08588 0.07052 0.23429 -0.08467 50 2PZ 0.01044 -0.02698 -0.00135 0.16898 -0.05080 51 3S 1.47736 -0.38349 -0.23876 -0.98411 -1.98092 52 3PX 0.38141 -0.80880 0.00816 0.30609 0.06272 53 3PY 0.46479 -0.67749 -0.38954 -0.65674 1.45540 54 3PZ -0.20059 0.43419 0.12049 -0.54775 -0.44696 55 4XX -0.00897 -0.03869 0.02800 -0.03423 0.03754 56 4YY -0.02010 -0.02966 0.00336 0.01752 -0.00052 57 4ZZ -0.01745 0.04172 0.00057 0.00089 -0.02341 58 4XY 0.04226 -0.03056 -0.00670 -0.06925 -0.03699 59 4XZ -0.01759 0.05823 0.00696 0.10665 -0.03556 60 4YZ 0.03154 -0.00916 -0.01857 0.01198 -0.06733 61 5 H 1S 0.09514 -0.10802 -0.07316 -0.23473 -0.10360 62 2S -0.65012 -0.30551 0.35483 -0.41755 -0.28119 63 6 H 1S 0.04847 -0.04738 -0.00420 -0.59091 0.18077 64 2S 0.16542 -0.04276 0.02366 -0.78238 0.08821 65 7 H 1S 0.04847 0.04738 -0.00420 0.59092 0.18075 66 2S 0.16542 0.04276 0.02366 0.78239 0.08818 67 8 H 1S 0.09515 0.10802 -0.07315 0.23472 -0.10360 68 2S -0.65015 0.30551 0.35486 0.41754 -0.28120 69 9 C 1S -0.00570 0.00000 0.01514 0.00000 -0.05524 70 2S 0.28616 0.00000 0.24846 -0.00002 -0.98340 71 2PX -0.07682 0.00000 -0.01345 0.00000 0.07349 72 2PY 0.00000 0.00750 0.00000 0.01801 0.00000 73 2PZ 0.20430 0.00000 -0.07803 0.00000 -0.14073 74 3S -0.80450 0.00002 -0.70316 0.00010 4.47888 75 3PX 0.39824 0.00000 -0.20715 0.00000 0.27172 76 3PY -0.00001 -0.56217 0.00000 0.55094 0.00000 77 3PZ -0.48604 -0.00001 0.28440 -0.00002 -0.47774 78 4XX -0.05909 0.00000 0.01785 0.00000 -0.08474 79 4YY 0.04999 0.00000 -0.00168 0.00000 0.02879 80 4ZZ 0.03529 0.00000 0.01921 0.00000 -0.04478 81 4XY 0.00000 0.02955 0.00000 0.08802 0.00000 82 4XZ 0.07762 0.00000 -0.01581 0.00000 -0.05961 83 4YZ 0.00000 0.04807 0.00000 0.07102 0.00000 84 10 H 1S -0.32531 0.00000 0.09597 -0.00001 -0.18900 85 2S 1.15557 0.00000 -0.21393 -0.00001 -0.48530 86 11 H 1S -0.13185 0.00000 0.10735 0.00000 -0.22995 87 2S 0.22604 0.00000 0.00531 0.00000 -0.40105 88 12 C 1S 0.00527 0.00746 -0.00129 0.00283 0.00291 89 2S -0.01208 -0.03508 0.05159 -0.12433 0.01441 90 2PX -0.14316 0.11202 -0.06542 -0.16244 0.12794 91 2PY 0.04811 -0.09649 -0.05236 0.14401 0.20186 92 2PZ -0.06328 0.05490 0.04358 -0.06160 -0.09634 93 3S -0.40267 -0.85033 -0.92563 0.18176 -1.85094 94 3PX 0.21242 -0.55736 0.37934 0.69577 0.20553 95 3PY -0.39255 2.54063 -0.25491 -1.08159 -1.37078 96 3PZ 0.22430 -0.77030 -0.22422 -0.20094 0.18524 97 4XX -0.00575 0.08731 -0.02609 0.03667 -0.07208 98 4YY -0.01367 -0.03090 0.04041 0.00292 -0.03853 99 4ZZ 0.01655 -0.06152 -0.02434 -0.04189 0.09948 100 4XY 0.00340 -0.03219 0.03104 0.00935 -0.06011 101 4XZ 0.01975 0.04621 0.01141 0.05101 -0.05218 102 4YZ 0.01736 0.02530 -0.00924 0.00525 -0.14348 103 13 C 1S 0.00527 -0.00746 -0.00129 -0.00283 0.00291 104 2S -0.01209 0.03507 0.05160 0.12433 0.01442 105 2PX -0.14317 -0.11202 -0.06542 0.16245 0.12794 106 2PY -0.04810 -0.09648 0.05236 0.14400 -0.20186 107 2PZ -0.06328 -0.05490 0.04358 0.06159 -0.09634 108 3S -0.40259 0.85036 -0.92561 -0.18182 -1.85099 109 3PX 0.21240 0.55738 0.37934 -0.69577 0.20556 110 3PY 0.39259 2.54061 0.25494 -1.08153 1.37077 111 3PZ 0.22433 0.77030 -0.22422 0.20095 0.18523 112 4XX -0.00575 -0.08731 -0.02609 -0.03667 -0.07207 113 4YY -0.01367 0.03090 0.04041 -0.00292 -0.03853 114 4ZZ 0.01656 0.06152 -0.02434 0.04189 0.09948 115 4XY -0.00340 -0.03219 -0.03104 0.00935 0.06011 116 4XZ 0.01975 -0.04621 0.01141 -0.05101 -0.05218 117 4YZ -0.01736 0.02530 0.00924 0.00526 0.14348 118 14 C 1S -0.00002 -0.01050 0.00035 0.00878 0.00189 119 2S -0.03594 -0.36377 0.02468 0.28791 0.03102 120 2PX 0.05357 -0.13064 -0.25312 0.08031 -0.16097 121 2PY 0.04650 -0.13048 0.00381 0.05971 0.00279 122 2PZ 0.12520 0.12646 0.12557 0.04734 0.20529 123 3S 0.63321 -0.16608 -0.35396 -0.74914 -0.14172 124 3PX -0.12278 1.52407 1.64440 -0.84506 1.96122 125 3PY -0.40248 -0.84732 -0.11508 0.16377 -0.12544 126 3PZ -0.56351 -1.68644 -0.99909 0.33701 -1.70978 127 4XX 0.04796 0.03498 -0.00665 0.05050 -0.01089 128 4YY -0.01083 -0.05596 -0.00008 0.01808 -0.01354 129 4ZZ -0.02316 -0.03947 0.00352 -0.04374 0.02080 130 4XY -0.01612 0.02979 -0.07823 0.00238 0.01170 131 4XZ 0.00803 0.08646 -0.00291 -0.02249 -0.03083 132 4YZ 0.02964 0.01465 0.05148 0.01070 0.05483 133 15 C 1S 0.01187 -0.00117 -0.00938 -0.00192 -0.01580 134 2S 0.31879 0.18876 -0.28606 -0.02520 -0.11300 135 2PX 0.05708 -0.08523 -0.08039 0.05241 0.13477 136 2PY -0.07353 0.09665 -0.08457 0.01424 0.09791 137 2PZ 0.03381 0.04463 0.02546 -0.05102 -0.11648 138 3S -0.53306 -0.14920 1.41379 -0.07585 2.18235 139 3PX 0.05438 1.94706 0.45289 -0.65439 0.06800 140 3PY 0.29607 -1.36216 -0.26200 0.12726 -1.23845 141 3PZ -0.05549 -1.24251 -0.35340 0.67991 -0.01246 142 4XX -0.01507 0.00834 0.04077 -0.03389 -0.00985 143 4YY 0.02354 -0.01001 -0.05250 0.00102 0.01551 144 4ZZ 0.02901 0.03618 0.00501 0.02635 -0.01907 145 4XY 0.03199 0.03629 -0.02163 -0.01932 -0.06827 146 4XZ -0.03684 -0.03634 -0.02135 -0.00150 0.01332 147 4YZ 0.04454 -0.01949 0.02208 0.01893 0.04138 148 16 C 1S 0.01187 0.00117 -0.00938 0.00192 -0.01580 149 2S 0.31874 -0.18876 -0.28607 0.02520 -0.11300 150 2PX 0.05708 0.08523 -0.08039 -0.05240 0.13477 151 2PY 0.07354 0.09665 0.08457 0.01423 -0.09791 152 2PZ 0.03381 -0.04463 0.02546 0.05101 -0.11649 153 3S -0.53299 0.14920 1.41378 0.07590 2.18237 154 3PX 0.05437 -1.94708 0.45287 0.65438 0.06799 155 3PY -0.29605 -1.36213 0.26198 0.12728 1.23845 156 3PZ -0.05550 1.24252 -0.35339 -0.67991 -0.01244 157 4XX -0.01507 -0.00834 0.04078 0.03389 -0.00985 158 4YY 0.02354 0.01001 -0.05250 -0.00102 0.01551 159 4ZZ 0.02901 -0.03618 0.00501 -0.02635 -0.01907 160 4XY -0.03199 0.03629 0.02163 -0.01932 0.06827 161 4XZ -0.03683 0.03634 -0.02135 0.00150 0.01332 162 4YZ -0.04454 -0.01949 -0.02208 0.01893 -0.04138 163 17 C 1S -0.00002 0.01050 0.00035 -0.00878 0.00189 164 2S -0.03594 0.36378 0.02468 -0.28791 0.03104 165 2PX 0.05357 0.13064 -0.25312 -0.08031 -0.16097 166 2PY -0.04649 -0.13048 -0.00381 0.05971 -0.00280 167 2PZ 0.12520 -0.12646 0.12556 -0.04733 0.20529 168 3S 0.63321 0.16604 -0.35396 0.74916 -0.14175 169 3PX -0.12279 -1.52410 1.64439 0.84511 1.96121 170 3PY 0.40242 -0.84732 0.11505 0.16377 0.12544 171 3PZ -0.56351 1.68645 -0.99907 -0.33707 -1.70978 172 4XX 0.04795 -0.03498 -0.00665 -0.05050 -0.01089 173 4YY -0.01083 0.05596 -0.00009 -0.01808 -0.01353 174 4ZZ -0.02316 0.03946 0.00352 0.04374 0.02080 175 4XY 0.01611 0.02979 0.07823 0.00238 -0.01170 176 4XZ 0.00804 -0.08646 -0.00291 0.02249 -0.03083 177 4YZ -0.02963 0.01465 -0.05148 0.01070 -0.05483 178 18 H 1S 0.05160 -0.38642 -0.05300 -0.14201 0.23729 179 2S 0.21765 -0.38477 -0.02377 0.22621 0.24140 180 19 H 1S 0.05162 0.38642 -0.05300 0.14202 0.23728 181 2S 0.21766 0.38476 -0.02377 -0.22620 0.24141 182 20 H 1S 0.09727 0.33568 0.04821 -0.17938 -0.22395 183 2S 0.18799 0.49651 -0.00389 -0.28493 -0.40011 184 21 H 1S 0.09725 -0.33568 0.04821 0.17937 -0.22396 185 2S 0.18798 -0.49652 -0.00389 0.28492 -0.40013 186 22 O 1S 0.00792 -0.01491 -0.00180 0.00681 -0.00031 187 2S 0.08032 -0.06037 -0.05469 0.07360 -0.03294 188 2PX -0.14471 0.26489 0.48046 0.05249 -0.06226 189 2PY -0.02276 -0.11826 0.07642 0.02690 0.01613 190 2PZ -0.44155 0.07597 -0.23110 0.01933 -0.09716 191 3S -0.51430 0.62448 0.15242 -0.37158 0.05107 192 3PX 0.18400 -0.18746 -0.97654 -0.19652 -0.21498 193 3PY 0.13244 0.03268 -0.15678 0.03251 -0.04208 194 3PZ 0.67879 -0.32410 0.51537 -0.00866 0.43251 195 4XX 0.03819 -0.04185 0.00283 0.01821 -0.00475 196 4YY 0.01724 -0.03781 -0.01832 0.01731 -0.00588 197 4ZZ 0.02724 -0.04125 -0.02167 0.04766 -0.00913 198 4XY -0.00075 -0.04503 -0.07099 -0.00340 0.00102 199 4XZ 0.02056 -0.04139 -0.00390 0.02639 -0.01418 200 4YZ 0.03662 -0.01526 0.04187 0.00355 0.02986 201 23 O 1S 0.00792 0.01491 -0.00180 -0.00681 -0.00031 202 2S 0.08032 0.06037 -0.05469 -0.07359 -0.03293 203 2PX -0.14467 -0.26489 0.48046 -0.05249 -0.06226 204 2PY 0.02274 -0.11826 -0.07643 0.02690 -0.01613 205 2PZ -0.44155 -0.07597 -0.23110 -0.01934 -0.09716 206 3S -0.51433 -0.62446 0.15242 0.37157 0.05106 207 3PX 0.18394 0.18747 -0.97653 0.19653 -0.21499 208 3PY -0.13241 0.03268 0.15679 0.03251 0.04208 209 3PZ 0.67880 0.32409 0.51537 0.00868 0.43251 210 4XX 0.03819 0.04185 0.00283 -0.01821 -0.00475 211 4YY 0.01724 0.03781 -0.01833 -0.01731 -0.00588 212 4ZZ 0.02724 0.04125 -0.02167 -0.04766 -0.00913 213 4XY 0.00075 -0.04503 0.07099 -0.00340 -0.00102 214 4XZ 0.02056 0.04139 -0.00390 -0.02639 -0.01418 215 4YZ -0.03663 -0.01526 -0.04187 0.00355 -0.02986 126 127 128 129 130 V V V V V Eigenvalues -- 1.20942 1.22201 1.22416 1.23077 1.27285 1 1 C 1S -0.00476 -0.00004 -0.01596 0.01535 0.01460 2 2S -0.26392 0.10881 -0.50739 0.30676 0.08827 3 2PX -0.01078 -0.02023 0.07155 -0.04426 0.09092 4 2PY 0.13615 0.04642 -0.00351 -0.13304 0.05465 5 2PZ 0.08013 -0.01618 0.03503 -0.02477 -0.03005 6 3S 0.85821 -0.35618 1.91354 -0.56011 -1.00246 7 3PX -0.06223 0.27798 -0.25034 0.62381 -0.09932 8 3PY -1.43544 -0.42861 0.97511 1.09101 -0.52446 9 3PZ -0.10923 0.02347 -0.23661 -0.31566 0.05211 10 4XX 0.05422 0.01145 -0.04967 0.00986 -0.13696 11 4YY -0.08007 -0.03296 -0.04013 0.08112 -0.06681 12 4ZZ 0.00200 0.01906 0.05315 -0.04471 0.19078 13 4XY 0.00329 -0.00553 0.02669 -0.01240 -0.02114 14 4XZ -0.02616 -0.02749 0.00152 0.00495 -0.05922 15 4YZ 0.02755 0.01474 -0.03185 -0.04358 -0.04202 16 2 C 1S 0.02336 -0.00100 0.02409 0.00925 -0.00485 17 2S 0.61333 -0.02115 0.48741 0.03206 -0.14304 18 2PX -0.06108 0.01332 -0.06996 0.05202 -0.00782 19 2PY 0.04263 -0.07986 0.16474 -0.02057 0.00369 20 2PZ -0.01558 -0.10571 0.10085 0.00759 -0.00598 21 3S -1.05801 -0.27785 -0.73698 -1.37625 0.50127 22 3PX -0.14697 -0.22704 0.85294 0.43093 -0.23894 23 3PY 0.67385 0.48813 -0.75521 -0.88112 0.04974 24 3PZ 0.46928 0.30885 -0.65005 -0.51420 0.15877 25 4XX 0.02818 0.01874 0.05105 0.00158 0.10727 26 4YY 0.02713 -0.03844 0.11757 -0.00785 -0.03390 27 4ZZ 0.02453 0.00341 -0.13069 0.00197 -0.08788 28 4XY -0.02190 0.00380 0.01405 -0.00178 0.15083 29 4XZ -0.06457 -0.00557 -0.01143 0.02583 0.03745 30 4YZ 0.01014 0.01982 -0.02240 -0.00963 0.14803 31 3 C 1S -0.02336 -0.00100 0.02409 -0.00924 -0.00485 32 2S -0.61331 -0.02110 0.48744 -0.03199 -0.14302 33 2PX 0.06108 0.01332 -0.06996 -0.05203 -0.00783 34 2PY 0.04263 0.07986 -0.16474 -0.02059 -0.00369 35 2PZ 0.01558 -0.10571 0.10085 -0.00759 -0.00598 36 3S 1.05797 -0.27807 -0.73721 1.37612 0.50124 37 3PX 0.14699 -0.22699 0.85299 -0.43083 -0.23894 38 3PY 0.67384 -0.48808 0.75529 -0.88105 -0.04975 39 3PZ -0.46929 0.30882 -0.65009 0.51414 0.15878 40 4XX -0.02818 0.01875 0.05105 -0.00157 0.10727 41 4YY -0.02713 -0.03844 0.11757 0.00786 -0.03390 42 4ZZ -0.02453 0.00341 -0.13069 -0.00199 -0.08788 43 4XY -0.02191 -0.00380 -0.01405 -0.00178 -0.15083 44 4XZ 0.06456 -0.00557 -0.01143 -0.02583 0.03745 45 4YZ 0.01013 -0.01982 0.02240 -0.00963 -0.14803 46 4 C 1S 0.00476 -0.00004 -0.01596 -0.01536 0.01460 47 2S 0.26390 0.10883 -0.50735 -0.30681 0.08827 48 2PX 0.01079 -0.02023 0.07155 0.04426 0.09092 49 2PY 0.13614 -0.04642 0.00352 -0.13305 -0.05465 50 2PZ -0.08014 -0.01618 0.03503 0.02477 -0.03005 51 3S -0.85816 -0.35617 1.91349 0.56032 -1.00244 52 3PX 0.06224 0.27804 -0.25026 -0.62381 -0.09932 53 3PY -1.43543 0.42859 -0.97521 1.09091 0.52449 54 3PZ 0.10923 0.02344 -0.23666 0.31563 0.05212 55 4XX -0.05422 0.01146 -0.04966 -0.00986 -0.13696 56 4YY 0.08007 -0.03296 -0.04013 -0.08113 -0.06681 57 4ZZ -0.00200 0.01905 0.05314 0.04473 0.19079 58 4XY 0.00329 0.00553 -0.02669 -0.01240 0.02114 59 4XZ 0.02616 -0.02749 0.00152 -0.00496 -0.05922 60 4YZ 0.02755 -0.01474 0.03186 -0.04358 0.04202 61 5 H 1S -0.44278 -0.05915 0.14101 0.31327 0.11989 62 2S -0.64162 -0.05191 0.01944 0.53962 -0.19377 63 6 H 1S 0.32399 0.15528 -0.24845 -0.16877 0.04834 64 2S 0.44299 0.29232 -0.43187 -0.25731 0.03360 65 7 H 1S -0.32399 0.15528 -0.24846 0.16875 0.04834 66 2S -0.44299 0.29232 -0.43188 0.25727 0.03360 67 8 H 1S 0.44279 -0.05915 0.14104 -0.31326 0.11988 68 2S 0.64161 -0.05190 0.01949 -0.53962 -0.19379 69 9 C 1S 0.00000 0.00208 0.00228 0.00000 -0.02966 70 2S 0.00000 0.08894 -0.02147 0.00001 -0.58589 71 2PX 0.00000 0.12379 -0.29791 -0.00002 0.08983 72 2PY -0.13644 0.00000 0.00000 0.11018 0.00000 73 2PZ 0.00000 0.05132 -0.05006 0.00000 -0.00007 74 3S 0.00000 0.24422 -1.29472 -0.00009 1.94362 75 3PX 0.00000 -0.72611 1.35718 0.00006 -0.12917 76 3PY 0.17273 0.00002 0.00004 -0.58503 -0.00001 77 3PZ 0.00000 -0.61188 0.91273 0.00003 -0.49871 78 4XX 0.00000 -0.02680 0.10626 0.00001 -0.03907 79 4YY 0.00000 0.06034 -0.01924 0.00000 0.12613 80 4ZZ 0.00000 -0.02007 -0.12523 -0.00001 -0.15250 81 4XY 0.02771 0.00000 0.00000 0.00205 0.00000 82 4XZ 0.00000 0.06371 -0.03212 0.00000 0.09187 83 4YZ 0.01307 0.00000 0.00000 -0.00470 0.00000 84 10 H 1S 0.00000 -0.22944 0.40847 0.00002 -0.07548 85 2S 0.00000 0.03371 0.34240 0.00003 -0.32582 86 11 H 1S 0.00000 0.22320 -0.24189 -0.00001 -0.01781 87 2S 0.00000 0.32026 -0.50041 -0.00002 -0.05458 88 12 C 1S -0.00259 0.00905 0.02267 0.00155 -0.02205 89 2S 0.12622 0.34231 0.03995 -0.00076 -0.23586 90 2PX 0.05400 -0.00251 -0.06722 0.08281 -0.08477 91 2PY -0.13638 -0.16019 0.10886 0.06636 0.01791 92 2PZ -0.03115 0.06065 -0.14974 0.09441 0.11737 93 3S -0.90265 -0.69420 -1.67486 0.98755 2.19787 94 3PX -1.05940 0.56702 0.21289 -1.10319 -0.47023 95 3PY 3.02007 0.48314 -1.04320 1.60189 0.70863 96 3PZ 0.50238 -0.42740 0.10205 -0.02775 0.10116 97 4XX 0.01940 0.11316 0.10756 0.07261 0.01460 98 4YY -0.01022 0.06700 -0.05492 -0.00733 0.00568 99 4ZZ -0.00276 -0.17261 -0.00806 -0.04657 -0.04603 100 4XY -0.01076 -0.04641 -0.00563 -0.01908 -0.15329 101 4XZ 0.01141 0.05055 0.05262 -0.00592 0.02041 102 4YZ -0.03875 -0.09364 -0.14686 0.03908 -0.08352 103 13 C 1S 0.00259 0.00905 0.02267 -0.00155 -0.02205 104 2S -0.12620 0.34232 0.03995 0.00080 -0.23586 105 2PX -0.05401 -0.00250 -0.06720 -0.08281 -0.08477 106 2PY -0.13637 0.16019 -0.10886 0.06636 -0.01791 107 2PZ 0.03115 0.06066 -0.14973 -0.09443 0.11737 108 3S 0.90255 -0.69415 -1.67472 -0.98788 2.19787 109 3PX 1.05947 0.56683 0.21267 1.10331 -0.47026 110 3PY 3.02007 -0.48351 1.04285 1.60198 -0.70865 111 3PZ -0.50240 -0.42738 0.10208 0.02772 0.10118 112 4XX -0.01939 0.11317 0.10757 -0.07258 0.01460 113 4YY 0.01022 0.06700 -0.05492 0.00733 0.00568 114 4ZZ 0.00275 -0.17262 -0.00806 0.04655 -0.04603 115 4XY -0.01075 0.04641 0.00563 -0.01908 0.15329 116 4XZ -0.01141 0.05055 0.05262 0.00593 0.02041 117 4YZ -0.03873 0.09364 0.14686 0.03911 0.08352 118 14 C 1S 0.00918 -0.01385 -0.00477 -0.00149 0.01503 119 2S 0.33017 -0.46475 -0.05179 -0.10126 0.42545 120 2PX -0.15414 0.03266 -0.13460 -0.38692 0.11637 121 2PY 0.11930 -0.10240 -0.01758 0.03040 0.12915 122 2PZ 0.20320 0.02534 0.04204 0.20698 -0.05637 123 3S 0.30911 1.92196 0.42032 -0.21121 -1.94336 124 3PX 2.13624 -0.18729 1.38888 3.02246 -1.36603 125 3PY -0.21408 1.29090 -0.20113 -0.11991 -0.89090 126 3PZ -1.75690 0.09786 -0.92274 -2.14268 0.92800 127 4XX 0.06024 -0.23363 -0.14660 0.01599 -0.04570 128 4YY 0.01577 -0.00358 0.01970 -0.03729 -0.02681 129 4ZZ -0.04574 0.19575 0.13960 0.00601 0.09667 130 4XY 0.00211 0.02790 -0.00958 -0.00934 0.01195 131 4XZ -0.03409 -0.07475 -0.00905 0.02709 -0.10776 132 4YZ -0.02357 0.00510 -0.03034 0.09414 -0.01194 133 15 C 1S -0.01895 0.01418 -0.01097 -0.02988 -0.00150 134 2S -0.28158 0.28257 -0.08356 -0.76910 -0.23778 135 2PX 0.09059 0.02855 0.03173 0.01590 -0.08256 136 2PY 0.02274 0.11021 0.02839 -0.12477 -0.18339 137 2PZ -0.08964 0.04249 -0.02551 -0.01214 0.06829 138 3S 1.26391 -1.02291 1.21511 3.64494 -0.57816 139 3PX -0.25471 -0.53058 0.14044 0.52716 0.44598 140 3PY -1.76221 -0.14708 -0.62885 -0.93981 1.09480 141 3PZ 0.28720 0.36569 -0.12206 -0.53133 -0.31714 142 4XX -0.05263 0.08170 0.04677 -0.01368 0.08492 143 4YY -0.01058 0.04224 -0.00900 -0.00075 -0.03828 144 4ZZ 0.03510 -0.12859 -0.03419 -0.04130 -0.05088 145 4XY -0.05770 -0.12987 -0.10563 -0.04004 0.00743 146 4XZ 0.02505 0.03884 0.04879 0.04088 -0.02892 147 4YZ 0.04534 -0.16927 -0.10257 0.04290 -0.04141 148 16 C 1S 0.01895 0.01417 -0.01097 0.02988 -0.00150 149 2S 0.28159 0.28248 -0.08368 0.76913 -0.23778 150 2PX -0.09059 0.02855 0.03174 -0.01589 -0.08256 151 2PY 0.02274 -0.11020 -0.02837 -0.12479 0.18339 152 2PZ 0.08964 0.04249 -0.02551 0.01214 0.06829 153 3S -1.26392 -1.02245 1.21569 -3.64487 -0.57819 154 3PX 0.25468 -0.53054 0.14052 -0.52722 0.44596 155 3PY -1.76219 0.14731 0.62906 -0.93967 -1.09479 156 3PZ -0.28719 0.36566 -0.12212 0.53136 -0.31713 157 4XX 0.05264 0.08170 0.04677 0.01370 0.08492 158 4YY 0.01058 0.04224 -0.00901 0.00075 -0.03828 159 4ZZ -0.03512 -0.12859 -0.03419 0.04128 -0.05088 160 4XY -0.05769 0.12987 0.10564 -0.04001 -0.00743 161 4XZ -0.02504 0.03885 0.04880 -0.04087 -0.02892 162 4YZ 0.04536 0.16926 0.10256 0.04294 0.04141 163 17 C 1S -0.00918 -0.01385 -0.00477 0.00148 0.01503 164 2S -0.33019 -0.46474 -0.05180 0.10119 0.42545 165 2PX 0.15414 0.03261 -0.13467 0.38690 0.11636 166 2PY 0.11930 0.10239 0.01757 0.03042 -0.12915 167 2PZ -0.20319 0.02538 0.04208 -0.20697 -0.05637 168 3S -0.30898 1.92196 0.42033 0.21149 -1.94333 169 3PX -2.13621 -0.18684 1.38942 -3.02226 -1.36601 170 3PY -0.21410 -1.29087 0.20113 -0.12003 0.89090 171 3PZ 1.75687 0.09752 -0.92313 2.14254 0.92799 172 4XX -0.06026 -0.23362 -0.14659 -0.01603 -0.04570 173 4YY -0.01577 -0.00358 0.01970 0.03729 -0.02680 174 4ZZ 0.04576 0.19575 0.13960 -0.00597 0.09667 175 4XY 0.00211 -0.02789 0.00959 -0.00933 -0.01195 176 4XZ 0.03409 -0.07475 -0.00904 -0.02710 -0.10776 177 4YZ -0.02357 -0.00511 0.03033 0.09414 0.01195 178 18 H 1S -0.02672 -0.18644 0.20190 -0.13584 -0.07965 179 2S -0.22514 -0.09018 0.29161 -0.09334 -0.30898 180 19 H 1S 0.02672 -0.18646 0.20188 0.13585 -0.07964 181 2S 0.22515 -0.09021 0.29159 0.09337 -0.30898 182 20 H 1S -0.41949 -0.05977 -0.13063 -0.24416 0.27718 183 2S -0.58809 -0.12079 -0.10424 -0.34637 0.35811 184 21 H 1S 0.41949 -0.05982 -0.13068 0.24413 0.27718 185 2S 0.58809 -0.12087 -0.10431 0.34633 0.35811 186 22 O 1S 0.00097 -0.00472 0.00749 0.00443 -0.00780 187 2S -0.05427 0.15093 0.05927 0.07750 -0.28651 188 2PX 0.02721 0.02529 0.01273 -0.14178 0.00326 189 2PY 0.04712 -0.18953 0.03184 0.01856 0.14507 190 2PZ -0.01477 -0.05476 0.04391 0.14673 -0.04090 191 3S 0.14697 0.03059 -0.31566 -0.22449 0.48511 192 3PX 0.22785 0.01733 -0.25412 0.70345 0.20719 193 3PY -0.07919 0.28307 0.04830 0.08956 -0.36900 194 3PZ -0.20319 0.08973 0.06050 -0.61960 -0.09817 195 4XX -0.01109 -0.03484 -0.01448 -0.00905 -0.07527 196 4YY -0.01763 0.03556 0.01744 0.02557 -0.09258 197 4ZZ 0.01201 0.07319 0.06142 0.03758 -0.03445 198 4XY -0.00880 -0.00405 -0.02347 0.04241 0.00652 199 4XZ -0.00271 -0.02255 0.02378 0.01596 -0.03625 200 4YZ 0.02051 0.01935 -0.00313 -0.08831 -0.01785 201 23 O 1S -0.00097 -0.00472 0.00749 -0.00443 -0.00780 202 2S 0.05428 0.15093 0.05928 -0.07748 -0.28651 203 2PX -0.02721 0.02527 0.01271 0.14178 0.00326 204 2PY 0.04713 0.18952 -0.03185 0.01857 -0.14507 205 2PZ 0.01476 -0.05475 0.04393 -0.14673 -0.04090 206 3S -0.14700 0.03058 -0.31569 0.22449 0.48511 207 3PX -0.22785 0.01742 -0.25400 -0.70349 0.20719 208 3PY -0.07921 -0.28307 -0.04830 0.08954 0.36900 209 3PZ 0.20320 0.08965 0.06040 0.61962 -0.09817 210 4XX 0.01108 -0.03484 -0.01448 0.00904 -0.07527 211 4YY 0.01763 0.03556 0.01744 -0.02557 -0.09258 212 4ZZ -0.01200 0.07320 0.06143 -0.03757 -0.03445 213 4XY -0.00880 0.00405 0.02347 0.04242 -0.00652 214 4XZ 0.00270 -0.02255 0.02378 -0.01596 -0.03625 215 4YZ 0.02051 -0.01934 0.00315 -0.08831 0.01785 131 132 133 134 135 V V V V V Eigenvalues -- 1.32112 1.32562 1.39183 1.40226 1.40936 1 1 C 1S 0.00150 0.03620 0.03039 0.00010 0.01108 2 2S 0.45257 0.54956 0.26884 0.15998 0.00862 3 2PX -0.12980 -0.04697 0.01054 -0.14789 0.03584 4 2PY 0.08606 0.09216 0.10821 0.01385 -0.06989 5 2PZ -0.14522 -0.05047 -0.06283 0.00922 -0.01153 6 3S -0.53215 -1.18280 -0.97453 -2.30362 -0.35981 7 3PX -0.29679 -0.05487 -0.31238 -0.71962 -0.08278 8 3PY -0.75537 0.18441 -0.31006 -1.20630 0.21314 9 3PZ 0.56906 0.44674 0.14695 0.22218 -0.05624 10 4XX -0.12224 -0.03914 0.24335 0.03095 0.05812 11 4YY 0.00174 -0.02973 -0.03900 0.02342 0.01831 12 4ZZ 0.11139 0.13470 -0.17050 -0.09436 -0.06323 13 4XY 0.09767 -0.02662 0.06401 0.15923 0.06721 14 4XZ -0.08911 -0.02043 0.04028 0.10412 0.04677 15 4YZ 0.05642 -0.01613 0.10353 0.25319 0.02019 16 2 C 1S 0.00817 -0.00151 -0.00275 -0.05517 0.00419 17 2S 0.17257 0.06978 0.06087 -0.96625 0.09315 18 2PX -0.03179 -0.07543 -0.13252 0.03661 -0.03802 19 2PY 0.01038 0.07156 0.04835 0.02567 0.03571 20 2PZ -0.00503 0.02789 0.01851 -0.05388 0.02655 21 3S 0.24967 0.49752 0.50267 5.21589 0.10901 22 3PX -0.10928 -0.12061 -0.06439 -1.79229 0.16553 23 3PY -0.09343 -0.28330 -0.13835 1.86138 -0.28555 24 3PZ 0.20730 0.09066 0.18344 1.41350 -0.12980 25 4XX 0.07910 0.08839 -0.23185 -0.19580 -0.07674 26 4YY 0.00373 -0.01442 0.00371 0.00626 0.02014 27 4ZZ -0.07317 -0.08878 0.19759 0.16997 0.07680 28 4XY 0.01199 0.07110 -0.06634 0.00810 -0.02270 29 4XZ -0.04355 0.05272 -0.07745 0.01726 -0.03868 30 4YZ 0.00950 -0.02841 -0.24886 0.05936 -0.03627 31 3 C 1S -0.00817 -0.00151 -0.00275 0.05517 0.00420 32 2S -0.17257 0.06979 0.06079 0.96626 0.09321 33 2PX 0.03179 -0.07543 -0.13251 -0.03662 -0.03803 34 2PY 0.01037 -0.07156 -0.04835 0.02567 -0.03571 35 2PZ 0.00504 0.02789 0.01850 0.05388 0.02655 36 3S -0.24965 0.49752 0.50314 -5.21588 0.10869 37 3PX 0.10928 -0.12062 -0.06456 1.79227 0.16564 38 3PY -0.09342 0.28332 0.13818 1.86135 0.28566 39 3PZ -0.20730 0.09067 0.18358 -1.41348 -0.12989 40 4XX -0.07910 0.08840 -0.23186 0.19579 -0.07672 41 4YY -0.00373 -0.01442 0.00371 -0.00626 0.02014 42 4ZZ 0.07316 -0.08878 0.19760 -0.16996 0.07678 43 4XY 0.01199 -0.07110 0.06634 0.00811 0.02270 44 4XZ 0.04355 0.05272 -0.07744 -0.01726 -0.03868 45 4YZ 0.00950 0.02841 0.24885 0.05938 0.03627 46 4 C 1S -0.00150 0.03620 0.03039 -0.00009 0.01108 47 2S -0.45255 0.54959 0.26886 -0.15997 0.00860 48 2PX 0.12980 -0.04698 0.01053 0.14789 0.03585 49 2PY 0.08606 -0.09216 -0.10821 0.01383 0.06989 50 2PZ 0.14522 -0.05048 -0.06283 -0.00922 -0.01153 51 3S 0.53212 -1.18285 -0.97475 2.30361 -0.35966 52 3PX 0.29678 -0.05487 -0.31244 0.71959 -0.08274 53 3PY -0.75538 -0.18439 0.31017 -1.20625 -0.21321 54 3PZ -0.56904 0.44676 0.14697 -0.22216 -0.05626 55 4XX 0.12224 -0.03915 0.24335 -0.03093 0.05812 56 4YY -0.00174 -0.02973 -0.03900 -0.02342 0.01830 57 4ZZ -0.11138 0.13470 -0.17050 0.09435 -0.06322 58 4XY 0.09768 0.02662 -0.06402 0.15923 -0.06720 59 4XZ 0.08911 -0.02043 0.04029 -0.10412 0.04676 60 4YZ 0.05642 0.01613 -0.10355 0.25319 -0.02018 61 5 H 1S -0.28199 0.22460 0.14703 -0.09666 0.05890 62 2S -0.23663 0.19846 -0.08226 -0.24055 0.15311 63 6 H 1S -0.01060 0.03521 0.07184 0.21312 -0.10927 64 2S 0.03543 -0.04502 -0.05316 0.49811 -0.14059 65 7 H 1S 0.01060 0.03521 0.07186 -0.21310 -0.10928 66 2S -0.03543 -0.04503 -0.05311 -0.49810 -0.14062 67 8 H 1S 0.28200 0.22459 0.14702 0.09666 0.05891 68 2S 0.23663 0.19846 -0.08229 0.24052 0.15312 69 9 C 1S 0.00000 0.03728 -0.00667 0.00000 -0.03561 70 2S 0.00002 0.61915 0.05843 0.00003 -0.45744 71 2PX 0.00000 -0.11585 0.04314 0.00000 -0.02574 72 2PY -0.10481 0.00000 0.00000 -0.04773 0.00000 73 2PZ 0.00000 -0.15053 -0.08597 0.00000 -0.03067 74 3S -0.00004 -1.38266 0.43170 -0.00005 1.17232 75 3PX 0.00002 0.52550 0.33352 0.00001 0.12834 76 3PY 0.42147 0.00000 0.00002 -0.34620 -0.00001 77 3PZ 0.00000 0.22839 0.06357 0.00000 0.10739 78 4XX 0.00000 0.02478 0.01776 0.00000 0.01191 79 4YY 0.00000 0.10475 -0.01001 0.00000 -0.07544 80 4ZZ 0.00000 -0.03453 0.01923 0.00000 0.00535 81 4XY -0.17014 0.00000 0.00001 -0.21442 -0.00001 82 4XZ 0.00000 0.04005 -0.00399 0.00000 -0.06930 83 4YZ -0.00190 0.00000 0.00000 0.01313 0.00000 84 10 H 1S 0.00000 0.07824 -0.01724 0.00000 -0.00093 85 2S 0.00002 0.64801 0.08720 0.00002 -0.35753 86 11 H 1S 0.00000 0.05968 -0.15713 0.00000 -0.12558 87 2S 0.00000 -0.08257 -0.06224 0.00001 -0.22559 88 12 C 1S -0.02463 -0.04030 -0.02146 -0.00647 -0.00406 89 2S -0.94937 -0.63172 -0.43317 -0.26728 -0.09739 90 2PX -0.02202 0.06136 -0.09453 -0.17003 -0.14372 91 2PY -0.00048 0.01388 0.03527 -0.03507 -0.07196 92 2PZ -0.16220 -0.17209 -0.03302 -0.01384 0.06210 93 3S 4.16611 0.96514 1.41281 0.06103 0.92767 94 3PX -1.64140 0.24432 -0.05485 1.01499 0.02729 95 3PY -0.47307 0.32525 0.29253 0.40719 0.44707 96 3PZ 1.44836 0.26231 0.25702 -0.52949 -0.00698 97 4XX -0.08487 -0.00853 0.16002 0.09130 -0.15395 98 4YY -0.00622 -0.03322 -0.06463 0.00775 -0.01614 99 4ZZ 0.08250 -0.04077 -0.11067 -0.11356 0.17940 100 4XY -0.02398 0.13375 -0.06285 -0.00066 -0.05292 101 4XZ 0.04632 -0.05689 -0.00522 0.09808 0.00262 102 4YZ 0.00196 0.06294 -0.03483 0.00048 0.12783 103 13 C 1S 0.02463 -0.04030 -0.02146 0.00647 -0.00406 104 2S 0.94934 -0.63177 -0.43318 0.26726 -0.09737 105 2PX 0.02202 0.06136 -0.09455 0.17003 -0.14371 106 2PY -0.00048 -0.01388 -0.03527 -0.03508 0.07196 107 2PZ 0.16219 -0.17209 -0.03302 0.01383 0.06210 108 3S -4.16606 0.96535 1.41278 -0.06099 0.92766 109 3PX 1.64141 0.24423 -0.05476 -1.01500 0.02723 110 3PY -0.47311 -0.32524 -0.29255 0.40722 -0.44704 111 3PZ -1.44835 0.26236 0.25697 0.52952 -0.00695 112 4XX 0.08487 -0.00853 0.16003 -0.09128 -0.15396 113 4YY 0.00622 -0.03322 -0.06463 -0.00775 -0.01614 114 4ZZ -0.08251 -0.04077 -0.11068 0.11354 0.17941 115 4XY -0.02399 -0.13375 0.06285 -0.00066 0.05292 116 4XZ -0.04632 -0.05689 -0.00522 -0.09808 0.00261 117 4YZ 0.00196 -0.06294 0.03483 0.00049 -0.12783 118 14 C 1S -0.01107 -0.01394 0.00416 0.01143 0.00660 119 2S -0.30703 -0.33934 0.19811 0.21383 0.10831 120 2PX -0.06870 -0.02009 0.08084 -0.01479 0.09010 121 2PY -0.09797 -0.09116 0.01163 -0.01915 0.00694 122 2PZ -0.01155 -0.02703 -0.01593 0.07034 0.05367 123 3S 1.62511 -0.21191 -1.15596 -1.02243 -0.08332 124 3PX 1.63473 -0.13359 -0.75278 0.20020 -0.82343 125 3PY 0.66022 1.33811 -0.12739 -0.78794 -0.45852 126 3PZ -0.82976 0.13980 0.38356 -0.36294 0.19275 127 4XX -0.07036 0.01692 -0.08885 0.10770 -0.00338 128 4YY 0.04529 -0.03930 0.01157 0.01049 -0.05516 129 4ZZ 0.02912 -0.00728 0.05854 -0.13274 0.06770 130 4XY -0.00543 0.02387 -0.01148 0.04345 0.22348 131 4XZ 0.00491 -0.02607 -0.12487 0.04646 0.05124 132 4YZ -0.07290 0.13818 -0.10231 0.05344 0.25309 133 15 C 1S -0.01039 0.01315 -0.00073 -0.00801 -0.00058 134 2S -0.34819 0.26856 -0.04973 -0.06491 -0.10214 135 2PX -0.12582 0.08819 -0.00880 0.02425 -0.08126 136 2PY -0.03344 0.09567 -0.09117 0.01370 -0.06831 137 2PZ 0.09266 -0.06937 0.00210 -0.01482 0.02165 138 3S 0.93100 -0.36018 -0.30582 0.85779 -0.46869 139 3PX 0.94417 -0.66849 0.08022 0.45968 0.29208 140 3PY -0.26105 -0.50834 0.40285 -0.12983 0.56658 141 3PZ -0.86474 0.43622 -0.01985 -0.22571 -0.05464 142 4XX -0.00512 0.12311 0.01166 -0.04989 0.16516 143 4YY -0.01240 0.08719 0.02338 0.00122 -0.03701 144 4ZZ -0.01751 -0.21206 -0.03539 0.05139 -0.11164 145 4XY 0.01599 0.02217 0.00215 0.01433 -0.05305 146 4XZ 0.03984 -0.05563 -0.04875 -0.01882 0.09285 147 4YZ -0.03265 0.07067 -0.04322 0.02074 -0.12741 148 16 C 1S 0.01039 0.01315 -0.00073 0.00801 -0.00058 149 2S 0.34821 0.26853 -0.04973 0.06491 -0.10213 150 2PX 0.12582 0.08818 -0.00879 -0.02424 -0.08126 151 2PY -0.03344 -0.09567 0.09117 0.01370 0.06831 152 2PZ -0.09266 -0.06936 0.00209 0.01482 0.02165 153 3S -0.93103 -0.36007 -0.30581 -0.85778 -0.46877 154 3PX -0.94420 -0.66841 0.08022 -0.45970 0.29203 155 3PY -0.26102 0.50836 -0.40284 -0.12982 -0.56658 156 3PZ 0.86476 0.43615 -0.01984 0.22571 -0.05461 157 4XX 0.00513 0.12311 0.01165 0.04988 0.16516 158 4YY 0.01241 0.08719 0.02338 -0.00121 -0.03701 159 4ZZ 0.01750 -0.21206 -0.03539 -0.05138 -0.11164 160 4XY 0.01599 -0.02217 -0.00215 0.01433 0.05304 161 4XZ -0.03984 -0.05562 -0.04875 0.01881 0.09285 162 4YZ -0.03266 -0.07066 0.04322 0.02073 0.12741 163 17 C 1S 0.01107 -0.01394 0.00416 -0.01143 0.00660 164 2S 0.30702 -0.33936 0.19813 -0.21382 0.10830 165 2PX 0.06870 -0.02010 0.08084 0.01479 0.09010 166 2PY -0.09797 0.09117 -0.01163 -0.01915 -0.00694 167 2PZ 0.01155 -0.02703 -0.01593 -0.07035 0.05366 168 3S -1.62513 -0.21185 -1.15604 1.02234 -0.08324 169 3PX -1.63474 -0.13348 -0.75279 -0.20021 -0.82345 170 3PY 0.66018 -1.33813 0.12745 -0.78795 0.45848 171 3PZ 0.82977 0.13973 0.38355 0.36295 0.19278 172 4XX 0.07036 0.01691 -0.08884 -0.10771 -0.00339 173 4YY -0.04529 -0.03930 0.01157 -0.01048 -0.05516 174 4ZZ -0.02912 -0.00728 0.05853 0.13274 0.06771 175 4XY -0.00543 -0.02387 0.01148 0.04346 -0.22347 176 4XZ -0.00491 -0.02607 -0.12486 -0.04647 0.05123 177 4YZ -0.07291 -0.13818 0.10231 0.05347 -0.25308 178 18 H 1S 0.25828 -0.18719 -0.06579 -0.20874 -0.02793 179 2S 0.13940 -0.08631 -0.10942 -0.31903 -0.25903 180 19 H 1S -0.25829 -0.18719 -0.06580 0.20874 -0.02792 181 2S -0.13941 -0.08631 -0.10945 0.31905 -0.25901 182 20 H 1S 0.16031 -0.16522 0.06201 0.00117 0.12097 183 2S 0.28950 -0.40517 0.08194 0.03266 0.25506 184 21 H 1S -0.16032 -0.16522 0.06201 -0.00117 0.12097 185 2S -0.28952 -0.40515 0.08194 -0.03267 0.25505 186 22 O 1S -0.00571 -0.03227 -0.01198 -0.01133 0.01279 187 2S -0.14219 -0.46632 -0.29330 -0.13993 0.17229 188 2PX -0.15138 -0.03528 -0.02160 -0.00167 0.04117 189 2PY 0.02756 0.04907 0.11264 -0.02483 -0.00953 190 2PZ 0.05742 0.02586 -0.03172 -0.00635 0.00330 191 3S 0.26710 1.72164 0.73387 0.54954 -0.63070 192 3PX 0.49988 0.12402 0.14889 0.02960 0.15908 193 3PY -0.16461 -0.44581 -0.33081 -0.10201 0.18456 194 3PZ -0.17823 0.06262 -0.05084 -0.05618 0.08249 195 4XX -0.02455 -0.08988 -0.07052 -0.05868 0.00306 196 4YY -0.02952 -0.14168 -0.09957 -0.06855 0.10583 197 4ZZ -0.04671 -0.16169 -0.04425 0.01122 0.03843 198 4XY 0.07010 0.01393 -0.00703 -0.03553 0.16241 199 4XZ -0.02527 -0.06900 -0.04728 -0.01485 -0.01476 200 4YZ 0.00917 0.08231 -0.07286 -0.02393 0.17339 201 23 O 1S 0.00571 -0.03227 -0.01198 0.01133 0.01279 202 2S 0.14217 -0.46633 -0.29331 0.13990 0.17230 203 2PX 0.15138 -0.03529 -0.02160 0.00166 0.04117 204 2PY 0.02755 -0.04907 -0.11264 -0.02484 0.00953 205 2PZ -0.05742 0.02586 -0.03173 0.00634 0.00330 206 3S -0.26702 1.72165 0.73391 -0.54944 -0.63072 207 3PX -0.49988 0.12405 0.14889 -0.02960 0.15907 208 3PY -0.16459 0.44581 0.33082 -0.10197 -0.18456 209 3PZ 0.17823 0.06260 -0.05084 0.05617 0.08249 210 4XX 0.02455 -0.08988 -0.07052 0.05868 0.00306 211 4YY 0.02952 -0.14168 -0.09958 0.06854 0.10584 212 4ZZ 0.04671 -0.16169 -0.04425 -0.01123 0.03843 213 4XY 0.07010 -0.01394 0.00703 -0.03553 -0.16241 214 4XZ 0.02526 -0.06901 -0.04728 0.01484 -0.01476 215 4YZ 0.00916 -0.08230 0.07286 -0.02391 -0.17339 136 137 138 139 140 V V V V V Eigenvalues -- 1.43477 1.44658 1.46107 1.47068 1.51419 1 1 C 1S 0.01199 0.00380 0.02420 0.01453 0.00772 2 2S 0.21093 0.02732 0.30653 0.15683 0.15818 3 2PX -0.10215 0.00787 -0.05898 -0.06756 -0.01620 4 2PY 0.00674 0.06251 -0.12336 -0.11109 -0.10655 5 2PZ 0.00188 -0.00505 -0.02745 -0.02596 -0.03838 6 3S -1.51120 -0.49687 -1.00921 -0.43719 -1.09521 7 3PX -0.01506 -0.29885 0.31891 0.37050 0.21708 8 3PY -0.71555 -0.69455 0.65649 0.73321 -0.22017 9 3PZ 0.04524 0.22472 -0.06716 -0.09345 -0.44552 10 4XX 0.21892 0.06962 0.01870 0.01192 -0.09626 11 4YY 0.05214 -0.01567 0.02883 0.03720 0.01634 12 4ZZ -0.27170 -0.06022 -0.03153 -0.04731 0.04511 13 4XY -0.17679 -0.02438 0.01849 0.08140 0.09970 14 4XZ -0.04444 -0.03356 -0.00746 -0.00389 -0.05187 15 4YZ 0.01525 0.03845 -0.01652 0.01438 -0.02605 16 2 C 1S -0.02396 -0.00743 0.00980 0.00954 0.00651 17 2S -0.36382 -0.10870 0.21745 0.24648 0.05273 18 2PX -0.00422 -0.01069 -0.09411 -0.09481 0.13345 19 2PY 0.03837 0.01498 0.07698 0.07759 0.00062 20 2PZ -0.08302 -0.04663 -0.01658 -0.02511 0.06147 21 3S 2.42962 1.25883 -0.05620 -0.23857 -0.08103 22 3PX -0.91821 -0.47119 0.34406 0.43915 0.06043 23 3PY 1.23880 0.61706 -0.52178 -0.49775 -0.07758 24 3PZ 0.75379 0.48949 -0.28515 -0.32850 -0.11195 25 4XX -0.17958 -0.04869 -0.09155 -0.10248 0.21726 26 4YY 0.01108 0.00286 0.05091 0.06294 -0.01086 27 4ZZ 0.15515 0.04212 0.04455 0.03378 -0.18975 28 4XY -0.00618 0.00255 0.16562 0.13346 -0.33709 29 4XZ -0.04110 -0.02896 -0.05174 -0.08003 -0.06168 30 4YZ -0.03832 -0.01105 0.12994 0.11251 -0.25101 31 3 C 1S 0.02396 0.00743 0.00980 0.00954 0.00651 32 2S 0.36382 0.10868 0.21747 0.24650 0.05274 33 2PX 0.00423 0.01070 -0.09411 -0.09481 0.13345 34 2PY 0.03838 0.01498 -0.07697 -0.07759 -0.00062 35 2PZ 0.08302 0.04664 -0.01658 -0.02511 0.06147 36 3S -2.42962 -1.25882 -0.05637 -0.23872 -0.08113 37 3PX 0.91821 0.47116 0.34412 0.43920 0.06048 38 3PY 1.23879 0.61701 0.52185 0.49781 0.07763 39 3PZ -0.75379 -0.48946 -0.28521 -0.32855 -0.11199 40 4XX 0.17958 0.04870 -0.09154 -0.10247 0.21726 41 4YY -0.01108 -0.00286 0.05090 0.06294 -0.01086 42 4ZZ -0.15515 -0.04213 0.04455 0.03377 -0.18975 43 4XY -0.00618 0.00256 -0.16562 -0.13346 0.33709 44 4XZ 0.04110 0.02897 -0.05174 -0.08003 -0.06168 45 4YZ -0.03832 -0.01104 -0.12994 -0.11251 0.25101 46 4 C 1S -0.01199 -0.00380 0.02420 0.01453 0.00772 47 2S -0.21094 -0.02734 0.30652 0.15681 0.15818 48 2PX 0.10216 -0.00786 -0.05898 -0.06756 -0.01620 49 2PY 0.00674 0.06250 0.12337 0.11110 0.10656 50 2PZ -0.00188 0.00505 -0.02745 -0.02596 -0.03839 51 3S 1.51122 0.49696 -1.00914 -0.43711 -1.09515 52 3PX 0.01505 0.29881 0.31894 0.37052 0.21710 53 3PY -0.71554 -0.69450 -0.65658 -0.73328 0.22013 54 3PZ -0.04524 -0.22471 -0.06718 -0.09347 -0.44554 55 4XX -0.21892 -0.06962 0.01870 0.01192 -0.09626 56 4YY -0.05214 0.01567 0.02883 0.03720 0.01634 57 4ZZ 0.27170 0.06023 -0.03152 -0.04730 0.04511 58 4XY -0.17679 -0.02438 -0.01849 -0.08140 -0.09971 59 4XZ 0.04445 0.03357 -0.00746 -0.00389 -0.05186 60 4YZ 0.01525 0.03845 0.01652 -0.01437 0.02605 61 5 H 1S -0.00825 -0.11187 0.23244 0.18661 0.03555 62 2S -0.09824 -0.25144 0.47904 0.41098 0.14311 63 6 H 1S 0.17584 0.09675 -0.16525 -0.18217 -0.13601 64 2S 0.38788 0.23042 -0.25162 -0.26188 -0.03528 65 7 H 1S -0.17584 -0.09673 -0.16526 -0.18217 -0.13602 66 2S -0.38788 -0.23039 -0.25164 -0.26190 -0.03530 67 8 H 1S 0.00824 0.11185 0.23246 0.18662 0.03556 68 2S 0.09823 0.25140 0.47907 0.41100 0.14312 69 9 C 1S 0.00000 0.00000 -0.04559 -0.04445 -0.07369 70 2S 0.00000 0.00003 -0.50407 -0.57425 -0.95441 71 2PX 0.00000 0.00000 -0.08661 -0.08410 -0.13834 72 2PY -0.04972 -0.06091 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.10158 0.00326 0.03070 74 3S -0.00001 -0.00007 1.13613 1.27227 3.07380 75 3PX 0.00000 -0.00001 0.28840 -0.04142 0.47289 76 3PY -0.46409 0.08329 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00001 -0.17201 0.13566 -0.54640 78 4XX 0.00000 0.00000 -0.03781 0.00664 0.04228 79 4YY 0.00000 0.00000 -0.05320 -0.08250 0.11157 80 4ZZ 0.00000 0.00000 0.02367 -0.00417 -0.23898 81 4XY 0.38766 0.11330 0.00000 0.00000 0.00001 82 4XZ 0.00000 0.00000 0.00324 -0.08842 0.01181 83 4YZ 0.21856 0.07995 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00001 -0.19515 -0.07439 -0.27689 85 2S 0.00000 0.00000 0.17014 -0.43048 -0.03602 86 11 H 1S 0.00000 0.00001 -0.22524 -0.11181 -0.19033 87 2S 0.00000 0.00001 -0.15047 -0.26349 -0.30476 88 12 C 1S -0.00192 -0.00783 -0.01063 -0.00492 0.00066 89 2S -0.16960 -0.19412 -0.19844 -0.12320 0.10381 90 2PX -0.01677 0.01432 -0.12069 -0.14826 0.02447 91 2PY 0.02199 0.00615 -0.09013 -0.16388 -0.04797 92 2PZ -0.08312 -0.01800 0.01587 0.05610 0.04427 93 3S 0.60357 0.77787 0.46399 0.31873 -0.06260 94 3PX -0.17005 -0.32800 0.48965 0.56694 0.16549 95 3PY -0.10678 -0.24165 0.54529 0.62717 0.31833 96 3PZ 0.01036 0.04820 -0.25900 -0.46361 -0.31950 97 4XX -0.12957 -0.03560 -0.09867 -0.00643 -0.13788 98 4YY -0.01393 0.00374 0.05020 0.03410 0.09459 99 4ZZ 0.14048 0.03560 0.02511 -0.04645 -0.00718 100 4XY -0.00692 0.02226 0.00577 -0.15981 -0.10724 101 4XZ 0.00564 0.03486 -0.00850 0.07363 -0.04459 102 4YZ 0.05196 0.04268 0.10317 -0.06693 -0.03634 103 13 C 1S 0.00192 0.00783 -0.01063 -0.00492 0.00066 104 2S 0.16960 0.19414 -0.19842 -0.12319 0.10380 105 2PX 0.01678 -0.01431 -0.12069 -0.14826 0.02447 106 2PY 0.02199 0.00613 0.09013 0.16388 0.04797 107 2PZ 0.08312 0.01800 0.01587 0.05611 0.04428 108 3S -0.60359 -0.77792 0.46394 0.31870 -0.06254 109 3PX 0.17004 0.32795 0.48966 0.56695 0.16549 110 3PY -0.10676 -0.24159 -0.54531 -0.62719 -0.31835 111 3PZ -0.01036 -0.04817 -0.25901 -0.46363 -0.31951 112 4XX 0.12957 0.03560 -0.09867 -0.00643 -0.13788 113 4YY 0.01393 -0.00375 0.05020 0.03410 0.09459 114 4ZZ -0.14048 -0.03560 0.02510 -0.04645 -0.00718 115 4XY -0.00692 0.02225 -0.00577 0.15981 0.10724 116 4XZ -0.00564 -0.03486 -0.00850 0.07362 -0.04459 117 4YZ 0.05196 0.04268 -0.10317 0.06693 0.03634 118 14 C 1S -0.00264 -0.00502 -0.01029 -0.01029 -0.00908 119 2S -0.05942 -0.02607 -0.34297 -0.45078 -0.27220 120 2PX -0.04244 0.06789 -0.05051 -0.05409 0.01020 121 2PY -0.03557 -0.01472 -0.04456 -0.07126 -0.03955 122 2PZ 0.01039 0.06391 -0.03388 -0.01305 -0.02773 123 3S -0.17043 0.47289 0.57027 1.43682 0.55014 124 3PX 0.36529 -0.17021 -0.11582 -0.10375 -0.11317 125 3PY -0.01473 0.29584 0.97266 0.79100 0.78770 126 3PZ -0.22703 -0.12172 0.28933 0.34087 0.28222 127 4XX -0.10823 -0.21211 0.08578 -0.01106 0.06171 128 4YY 0.04004 -0.05293 -0.02758 -0.00893 -0.03898 129 4ZZ 0.05219 0.25924 -0.07706 0.00956 -0.04543 130 4XY -0.10897 0.22108 -0.09051 -0.02045 -0.01780 131 4XZ -0.06230 -0.08863 -0.00559 0.01704 -0.06645 132 4YZ -0.17288 0.23983 -0.03023 -0.03956 0.00672 133 15 C 1S -0.00748 0.00157 0.00907 0.00687 0.00666 134 2S -0.17371 0.08655 0.07705 0.01917 0.02298 135 2PX -0.02001 -0.03066 0.03572 -0.12263 -0.02877 136 2PY -0.02232 0.02686 0.06069 0.06692 0.04211 137 2PZ 0.04312 -0.07153 0.12239 -0.04827 0.03369 138 3S 0.87069 -0.41825 -0.53806 -0.64803 -0.45140 139 3PX 0.37269 -0.20322 -0.31357 -0.24194 -0.24272 140 3PY 0.19802 -0.01625 -0.07154 0.03360 -0.01591 141 3PZ -0.37012 0.18623 0.14963 0.20306 0.14427 142 4XX -0.03354 0.24741 -0.25149 0.10598 -0.05552 143 4YY 0.00447 0.00978 0.01875 -0.00658 0.02584 144 4ZZ 0.02419 -0.25720 0.22091 -0.09588 0.01194 145 4XY -0.00369 -0.04228 -0.19152 0.24457 0.00063 146 4XZ -0.00613 0.08443 -0.13937 0.05701 -0.07935 147 4YZ -0.01993 -0.02531 -0.23921 0.28913 0.02685 148 16 C 1S 0.00748 -0.00157 0.00907 0.00687 0.00666 149 2S 0.17371 -0.08656 0.07703 0.01917 0.02300 150 2PX 0.02001 0.03066 0.03572 -0.12263 -0.02877 151 2PY -0.02232 0.02686 -0.06069 -0.06692 -0.04211 152 2PZ -0.04312 0.07153 0.12240 -0.04827 0.03369 153 3S -0.87066 0.41831 -0.53799 -0.64804 -0.45150 154 3PX -0.37269 0.20325 -0.31353 -0.24195 -0.24277 155 3PY 0.19803 -0.01625 0.07152 -0.03359 0.01597 156 3PZ 0.37012 -0.18624 0.14960 0.20306 0.14430 157 4XX 0.03354 -0.24740 -0.25150 0.10597 -0.05552 158 4YY -0.00447 -0.00978 0.01875 -0.00658 0.02584 159 4ZZ -0.02419 0.25718 0.22093 -0.09587 0.01193 160 4XY -0.00369 -0.04229 0.19152 -0.24457 -0.00063 161 4XZ 0.00613 -0.08443 -0.13938 0.05701 -0.07935 162 4YZ -0.01993 -0.02532 0.23921 -0.28913 -0.02685 163 17 C 1S 0.00264 0.00502 -0.01029 -0.01029 -0.00908 164 2S 0.05942 0.02611 -0.34297 -0.45078 -0.27221 165 2PX 0.04244 -0.06789 -0.05051 -0.05409 0.01019 166 2PY -0.03557 -0.01472 0.04456 0.07126 0.03955 167 2PZ -0.01039 -0.06391 -0.03389 -0.01305 -0.02773 168 3S 0.17041 -0.47297 0.57022 1.43682 0.55022 169 3PX -0.36528 0.17023 -0.11581 -0.10376 -0.11315 170 3PY -0.01471 0.29592 -0.97264 -0.79099 -0.78771 171 3PZ 0.22702 0.12169 0.28933 0.34088 0.28220 172 4XX 0.10823 0.21211 0.08579 -0.01106 0.06170 173 4YY -0.04003 0.05292 -0.02758 -0.00893 -0.03897 174 4ZZ -0.05219 -0.25924 -0.07707 0.00955 -0.04543 175 4XY -0.10897 0.22108 0.09052 0.02046 0.01780 176 4XZ 0.06230 0.08863 -0.00558 0.01704 -0.06645 177 4YZ -0.17288 0.23982 0.03024 0.03957 -0.00671 178 18 H 1S -0.04961 0.00683 -0.12867 -0.13622 -0.08583 179 2S 0.01903 0.01634 -0.35501 -0.46770 -0.20248 180 19 H 1S 0.04961 -0.00682 -0.12867 -0.13622 -0.08584 181 2S -0.01902 -0.01630 -0.35502 -0.46771 -0.20250 182 20 H 1S 0.05071 0.00458 -0.02665 -0.02252 -0.01570 183 2S 0.12405 -0.04771 -0.08869 -0.03247 -0.07551 184 21 H 1S -0.05071 -0.00458 -0.02664 -0.02252 -0.01571 185 2S -0.12405 0.04771 -0.08868 -0.03247 -0.07553 186 22 O 1S 0.00111 0.00228 -0.01420 0.00156 -0.01303 187 2S 0.04867 0.03766 -0.13671 0.20275 -0.09869 188 2PX 0.00238 -0.03668 0.01132 0.02020 0.00819 189 2PY -0.02009 -0.02247 -0.05224 -0.14493 -0.04873 190 2PZ 0.06551 -0.02644 0.00299 -0.01871 -0.00007 191 3S -0.11108 -0.12313 0.72084 -0.24021 0.56652 192 3PX 0.12292 -0.06721 -0.00844 -0.03418 0.02425 193 3PY 0.05911 0.01182 -0.12433 0.25312 -0.08835 194 3PZ -0.06157 -0.10535 -0.03523 -0.04797 -0.03209 195 4XX 0.01312 0.11853 0.02431 0.03209 0.00093 196 4YY 0.04355 -0.02648 -0.06449 0.05006 -0.04439 197 4ZZ -0.02710 -0.05755 -0.07262 0.04235 -0.05094 198 4XY 0.10518 -0.12089 -0.04030 -0.02665 -0.00083 199 4XZ -0.00254 0.05420 -0.03627 -0.01914 -0.05680 200 4YZ 0.09523 -0.18239 -0.01597 -0.05322 -0.02174 201 23 O 1S -0.00111 -0.00228 -0.01420 0.00156 -0.01303 202 2S -0.04867 -0.03767 -0.13671 0.20275 -0.09869 203 2PX -0.00238 0.03668 0.01133 0.02021 0.00819 204 2PY -0.02010 -0.02248 0.05224 0.14493 0.04873 205 2PZ -0.06551 0.02644 0.00300 -0.01871 -0.00007 206 3S 0.11108 0.12311 0.72084 -0.24020 0.56654 207 3PX -0.12292 0.06722 -0.00843 -0.03418 0.02425 208 3PY 0.05912 0.01183 0.12432 -0.25312 0.08836 209 3PZ 0.06157 0.10535 -0.03523 -0.04797 -0.03209 210 4XX -0.01312 -0.11854 0.02431 0.03208 0.00093 211 4YY -0.04355 0.02648 -0.06449 0.05006 -0.04439 212 4ZZ 0.02710 0.05755 -0.07262 0.04235 -0.05095 213 4XY 0.10518 -0.12089 0.04029 0.02665 0.00082 214 4XZ 0.00254 -0.05420 -0.03627 -0.01914 -0.05680 215 4YZ 0.09522 -0.18239 0.01596 0.05322 0.02174 141 142 143 144 145 V V V V V Eigenvalues -- 1.52261 1.58382 1.63784 1.64470 1.66248 1 1 C 1S 0.01155 -0.01624 0.03218 0.01703 0.03109 2 2S 0.15395 -0.22946 0.37066 0.39234 0.54436 3 2PX -0.05255 0.07332 -0.05986 -0.15112 -0.09527 4 2PY 0.04937 -0.17141 -0.02384 -0.03997 -0.01697 5 2PZ 0.07063 0.00478 -0.05947 0.03877 -0.12977 6 3S -1.47038 0.06357 -1.59979 -2.18004 -0.31169 7 3PX -0.40269 -0.13847 0.34030 0.01428 0.53406 8 3PY -1.15247 0.07007 -0.08616 -0.72500 0.35127 9 3PZ 0.33260 -0.21918 -0.31370 0.10213 0.10823 10 4XX -0.07250 -0.00073 0.06484 -0.18232 0.16588 11 4YY 0.00261 0.10595 -0.14958 0.09000 0.10147 12 4ZZ 0.05857 -0.13173 0.09431 0.05430 -0.26312 13 4XY -0.20952 0.02076 -0.05364 -0.16695 0.11174 14 4XZ -0.07614 -0.05801 0.00953 -0.12141 -0.02428 15 4YZ -0.07458 -0.09074 0.00519 -0.01495 0.03294 16 2 C 1S -0.02200 0.00083 0.00344 -0.02732 0.03053 17 2S -0.31779 0.03310 -0.02566 -0.39342 0.52149 18 2PX 0.03897 0.03382 -0.00938 0.05860 -0.11424 19 2PY 0.03414 -0.01316 0.02489 0.01778 -0.05702 20 2PZ 0.00270 -0.04827 0.01975 -0.00879 -0.03626 21 3S 2.77942 0.01588 0.05697 2.76759 -2.37634 22 3PX -1.27081 0.20845 -0.09022 -1.30031 0.97015 23 3PY 1.34891 -0.20687 0.01617 1.39234 -1.19124 24 3PZ 1.05956 -0.14459 0.09883 1.07490 -0.72663 25 4XX 0.08327 -0.03042 -0.04177 0.12990 -0.15579 26 4YY 0.01427 0.05869 -0.03684 0.01728 -0.01846 27 4ZZ -0.07837 -0.04357 0.08348 -0.12796 0.15124 28 4XY -0.00663 -0.02277 0.01614 0.00002 -0.03231 29 4XZ 0.04120 -0.15025 0.03689 0.07166 -0.16626 30 4YZ -0.00075 0.10693 -0.13184 0.03939 -0.07307 31 3 C 1S 0.02200 0.00083 0.00345 0.02732 -0.03053 32 2S 0.31779 0.03310 -0.02561 0.39342 -0.52150 33 2PX -0.03898 0.03382 -0.00939 -0.05860 0.11424 34 2PY 0.03414 0.01316 -0.02489 0.01778 -0.05701 35 2PZ -0.00270 -0.04827 0.01976 0.00878 0.03626 36 3S -2.77941 0.01586 0.05658 -2.76759 2.37636 37 3PX 1.27081 0.20846 -0.09003 1.30033 -0.97016 38 3PY 1.34890 0.20689 -0.01597 1.39234 -1.19125 39 3PZ -1.05955 -0.14459 0.09867 -1.07492 0.72664 40 4XX -0.08328 -0.03042 -0.04178 -0.12989 0.15579 41 4YY -0.01428 0.05869 -0.03684 -0.01727 0.01846 42 4ZZ 0.07838 -0.04357 0.08349 0.12794 -0.15125 43 4XY -0.00664 0.02277 -0.01614 0.00002 -0.03230 44 4XZ -0.04119 -0.15026 0.03689 -0.07167 0.16626 45 4YZ -0.00076 -0.10693 0.13184 0.03937 -0.07308 46 4 C 1S -0.01155 -0.01623 0.03217 -0.01703 -0.03110 47 2S -0.15396 -0.22945 0.37055 -0.39241 -0.54439 48 2PX 0.05256 0.07332 -0.05982 0.15113 0.09528 49 2PY 0.04937 0.17141 0.02384 -0.03997 -0.01697 50 2PZ -0.07063 0.00477 -0.05947 -0.03876 0.12977 51 3S 1.47042 0.06356 -1.59935 2.18032 0.31178 52 3PX 0.40268 -0.13846 0.34027 -0.01435 -0.53409 53 3PY -1.15247 -0.07009 0.08604 -0.72500 0.35128 54 3PZ -0.33257 -0.21918 -0.31373 -0.10207 -0.10821 55 4XX 0.07250 -0.00073 0.06487 0.18231 -0.16589 56 4YY -0.00261 0.10595 -0.14960 -0.08997 -0.10146 57 4ZZ -0.05857 -0.13174 0.09432 -0.05432 0.26311 58 4XY -0.20951 -0.02076 0.05362 -0.16696 0.11174 59 4XZ 0.07615 -0.05801 0.00956 0.12141 0.02427 60 4YZ -0.07458 0.09074 -0.00519 -0.01495 0.03294 61 5 H 1S -0.13400 -0.15462 0.32451 -0.03524 0.04666 62 2S -0.32543 0.10062 0.20610 0.03423 0.24943 63 6 H 1S 0.25484 -0.22696 0.11191 0.24832 -0.23246 64 2S 0.55764 -0.11205 0.01512 0.56632 -0.36230 65 7 H 1S -0.25483 -0.22697 0.11187 -0.24834 0.23246 66 2S -0.55763 -0.11206 0.01503 -0.56633 0.36230 67 8 H 1S 0.13400 -0.15462 0.32451 0.03518 -0.04669 68 2S 0.32542 0.10062 0.20608 -0.03427 -0.24945 69 9 C 1S 0.00000 -0.04697 -0.05525 0.00000 0.00000 70 2S 0.00003 -0.76797 -0.81198 0.00007 0.00002 71 2PX 0.00000 0.09298 0.09515 -0.00001 0.00000 72 2PY -0.11084 0.00000 0.00000 -0.00597 -0.04491 73 2PZ 0.00000 0.25947 -0.04516 0.00001 0.00000 74 3S -0.00007 1.48170 2.84212 -0.00024 -0.00008 75 3PX 0.00000 -0.04761 -0.16425 0.00002 0.00001 76 3PY -0.00895 0.00000 -0.00005 -0.51468 -0.22472 77 3PZ 0.00002 -0.58249 -0.28567 0.00002 0.00000 78 4XX 0.00000 0.01225 0.03426 0.00000 0.00000 79 4YY 0.00000 -0.12340 0.21666 -0.00002 -0.00001 80 4ZZ 0.00000 0.09173 -0.26546 0.00002 0.00001 81 4XY 0.24108 0.00000 0.00001 0.08428 -0.01973 82 4XZ 0.00000 0.01129 0.16761 -0.00002 -0.00001 83 4YZ 0.17312 0.00000 0.00002 0.19242 -0.01104 84 10 H 1S 0.00001 -0.11928 -0.11600 0.00001 0.00000 85 2S 0.00001 -0.23121 -0.50429 0.00005 0.00002 86 11 H 1S 0.00000 -0.24086 -0.19622 0.00001 0.00001 87 2S 0.00000 0.17089 -0.16590 0.00002 0.00001 88 12 C 1S 0.03744 0.03225 -0.01139 -0.00246 0.02982 89 2S 0.28290 0.40991 0.05634 -0.19999 0.32314 90 2PX 0.03100 0.07718 -0.07126 -0.15223 0.13225 91 2PY 0.03192 0.01190 0.06516 0.08281 0.09689 92 2PZ -0.09345 0.13767 0.10552 0.08783 -0.06771 93 3S -2.33849 -1.30725 0.46178 2.83216 0.06080 94 3PX 0.51102 0.21469 0.01297 -0.50635 -1.86149 95 3PY -0.29427 -0.28150 0.08359 -1.15233 -0.61299 96 3PZ 0.31168 -0.42734 0.03057 0.16766 1.58766 97 4XX 0.12469 0.17748 0.02591 0.06089 0.04816 98 4YY -0.02765 0.07403 0.02269 -0.00222 -0.01036 99 4ZZ -0.07862 -0.24075 -0.01793 0.01021 0.03171 100 4XY 0.03627 0.27443 0.25104 -0.04429 -0.01098 101 4XZ 0.03975 -0.15430 0.16090 0.01523 -0.03067 102 4YZ -0.08180 0.15643 0.06710 0.02518 -0.15288 103 13 C 1S -0.03745 0.03224 -0.01139 0.00246 -0.02982 104 2S -0.28292 0.40990 0.05635 0.19998 -0.32314 105 2PX -0.03100 0.07718 -0.07124 0.15225 -0.13224 106 2PY 0.03191 -0.01190 -0.06513 0.08283 0.09690 107 2PZ 0.09344 0.13767 0.10551 -0.08785 0.06770 108 3S 2.33852 -1.30716 0.46124 -2.83226 -0.06086 109 3PX -0.51103 0.21466 0.01319 0.50634 1.86148 110 3PY -0.29425 0.28152 -0.08385 -1.15232 -0.61299 111 3PZ -0.31166 -0.42733 0.03043 -0.16767 -1.58766 112 4XX -0.12468 0.17747 0.02589 -0.06089 -0.04816 113 4YY 0.02765 0.07404 0.02270 0.00222 0.01035 114 4ZZ 0.07862 -0.24075 -0.01794 -0.01021 -0.03171 115 4XY 0.03627 -0.27443 -0.25105 -0.04425 -0.01097 116 4XZ -0.03975 -0.15430 0.16090 -0.01526 0.03066 117 4YZ -0.08180 -0.15643 -0.06711 0.02519 -0.15287 118 14 C 1S 0.02111 -0.01092 0.00377 -0.03607 -0.02213 119 2S 0.28664 0.03359 0.15852 -0.73600 -0.44466 120 2PX 0.11092 0.01455 0.05344 -0.15886 0.00765 121 2PY 0.00314 0.01757 0.09065 -0.07250 0.01347 122 2PZ -0.07388 0.07432 -0.06007 0.03334 -0.04115 123 3S -2.60925 -0.25347 -0.01180 4.36477 3.33052 124 3PX -0.50429 0.66012 -0.36277 -0.29109 -0.20796 125 3PY -0.97154 0.67490 -0.58538 2.56428 1.43071 126 3PZ 0.49679 -0.53284 0.23980 0.55093 0.57586 127 4XX 0.22561 -0.02492 -0.06235 0.03410 0.16435 128 4YY -0.06537 -0.03703 0.00875 0.03842 -0.03802 129 4ZZ -0.19327 0.03106 0.09005 0.00217 -0.09468 130 4XY 0.06968 0.01790 -0.15135 -0.03977 0.02745 131 4XZ 0.05652 -0.10148 0.17712 0.07774 0.05261 132 4YZ 0.13456 -0.00881 0.03589 0.04119 0.08222 133 15 C 1S -0.02921 -0.00655 0.00374 0.05934 0.02992 134 2S -0.62459 -0.08360 -0.03816 1.05208 0.45926 135 2PX -0.12045 -0.00728 -0.00917 0.15684 0.01620 136 2PY -0.03156 0.00387 0.07070 0.02085 0.03603 137 2PZ 0.09128 -0.05022 -0.00966 -0.08586 0.00198 138 3S 3.70284 0.57897 -0.08846 -7.05331 -3.40740 139 3PX 1.70176 0.06282 0.14812 -3.35192 -1.44862 140 3PY 2.04209 -0.33615 0.12164 -2.59915 -0.71750 141 3PZ -1.21415 0.01995 -0.08520 2.38529 1.01079 142 4XX -0.04434 0.07615 0.06965 0.00588 -0.02335 143 4YY 0.00804 0.02404 -0.11447 -0.02393 -0.01560 144 4ZZ 0.03351 -0.12460 0.08431 -0.02159 0.00941 145 4XY 0.05469 -0.01185 -0.02854 -0.02322 0.00073 146 4XZ -0.00538 0.06178 0.10910 -0.05615 -0.02013 147 4YZ 0.02496 0.07454 0.06414 0.02118 0.02541 148 16 C 1S 0.02921 -0.00655 0.00373 -0.05934 -0.02992 149 2S 0.62459 -0.08357 -0.03840 -1.05207 -0.45926 150 2PX 0.12045 -0.00727 -0.00920 -0.15683 -0.01620 151 2PY -0.03155 -0.00387 -0.07070 0.02087 0.03604 152 2PZ -0.09128 -0.05022 -0.00964 0.08586 -0.00198 153 3S -3.70283 0.57878 -0.08687 7.05334 3.40743 154 3PX -1.70174 0.06274 0.14887 3.35187 1.44861 155 3PY 2.04210 0.33623 -0.12219 -2.59916 -0.71750 156 3PZ 1.21414 0.02002 -0.08573 -2.38527 -1.01078 157 4XX 0.04434 0.07615 0.06965 -0.00590 0.02335 158 4YY -0.00804 0.02404 -0.11447 0.02396 0.01561 159 4ZZ -0.03351 -0.12460 0.08431 0.02157 -0.00942 160 4XY 0.05469 0.01185 0.02854 -0.02323 0.00072 161 4XZ 0.00538 0.06178 0.10911 0.05614 0.02014 162 4YZ 0.02496 -0.07454 -0.06413 0.02120 0.02542 163 17 C 1S -0.02111 -0.01093 0.00377 0.03607 0.02213 164 2S -0.28662 0.03357 0.15869 0.73598 0.44466 165 2PX -0.11092 0.01455 0.05347 0.15885 -0.00766 166 2PY 0.00314 -0.01757 -0.09067 -0.07249 0.01348 167 2PZ 0.07387 0.07432 -0.06008 -0.03332 0.04116 168 3S 2.60922 -0.25334 -0.01285 -4.36478 -3.33055 169 3PX 0.50427 0.66012 -0.36269 0.29121 0.20803 170 3PY -0.97150 -0.67498 0.58599 2.56417 1.43066 171 3PZ -0.49679 -0.53284 0.23966 -0.55100 -0.57590 172 4XX -0.22561 -0.02492 -0.06236 -0.03410 -0.16434 173 4YY 0.06537 -0.03703 0.00874 -0.03842 0.03801 174 4ZZ 0.19328 0.03106 0.09005 -0.00219 0.09467 175 4XY 0.06969 -0.01790 0.15134 -0.03980 0.02744 176 4XZ -0.05651 -0.10148 0.17710 -0.07778 -0.05262 177 4YZ 0.13457 0.00882 -0.03588 0.04120 0.08222 178 18 H 1S 0.28093 0.10746 -0.03860 0.01816 0.46778 179 2S 0.33242 -0.04675 -0.02672 -0.01036 0.84971 180 19 H 1S -0.28093 0.10746 -0.03864 -0.01815 -0.46778 181 2S -0.33241 -0.04674 -0.02678 0.01037 -0.84971 182 20 H 1S 0.31233 0.00594 0.11014 -0.45249 -0.10179 183 2S 0.68844 -0.10621 0.07112 -1.13342 -0.35062 184 21 H 1S -0.31233 0.00593 0.11023 0.45247 0.10178 185 2S -0.68844 -0.10624 0.07136 1.13341 0.35061 186 22 O 1S 0.00788 -0.02144 0.01560 0.00429 -0.00139 187 2S 0.12857 -0.38842 0.20262 -0.11014 -0.15821 188 2PX -0.07735 -0.01125 -0.07542 0.00935 -0.02937 189 2PY -0.03023 0.06714 -0.03879 0.09215 0.11101 190 2PZ -0.00964 -0.01472 0.03117 -0.05397 -0.05095 191 3S -0.32615 1.23326 -0.74592 -0.23431 0.16551 192 3PX 0.01935 -0.03764 0.10182 -0.07000 -0.02552 193 3PY 0.21343 -0.39762 0.20326 -0.22346 -0.24500 194 3PZ 0.02995 0.13819 -0.08929 0.13537 0.14866 195 4XX -0.07766 -0.10901 -0.01228 -0.02932 -0.11087 196 4YY 0.00211 -0.13140 0.05193 -0.01575 -0.05259 197 4ZZ 0.16775 -0.03164 0.13017 0.01297 0.07277 198 4XY -0.05283 -0.00398 -0.11324 -0.01401 -0.08711 199 4XZ 0.02976 -0.04284 0.16026 -0.03448 -0.01589 200 4YZ -0.07788 0.04443 0.06632 0.00525 -0.03662 201 23 O 1S -0.00788 -0.02144 0.01560 -0.00430 0.00139 202 2S -0.12856 -0.38842 0.20265 0.11009 0.15819 203 2PX 0.07735 -0.01125 -0.07542 -0.00933 0.02938 204 2PY -0.03023 -0.06714 0.03881 0.09215 0.11100 205 2PZ 0.00964 -0.01472 0.03118 0.05396 0.05095 206 3S 0.32612 1.23326 -0.74586 0.23447 -0.16544 207 3PX -0.01934 -0.03763 0.10184 0.06997 0.02550 208 3PY 0.21342 0.39763 -0.20332 -0.22341 -0.24498 209 3PZ -0.02995 0.13819 -0.08933 -0.13535 -0.14865 210 4XX 0.07766 -0.10900 -0.01227 0.02932 0.11086 211 4YY -0.00211 -0.13140 0.05193 0.01574 0.05259 212 4ZZ -0.16775 -0.03164 0.13017 -0.01299 -0.07278 213 4XY -0.05283 0.00398 0.11323 -0.01403 -0.08712 214 4XZ -0.02975 -0.04284 0.16027 0.03445 0.01588 215 4YZ -0.07788 -0.04443 -0.06632 0.00527 -0.03662 146 147 148 149 150 V V V V V Eigenvalues -- 1.70208 1.77005 1.77206 1.79798 1.82734 1 1 C 1S 0.01543 0.00389 0.01523 0.01249 -0.00473 2 2S 0.26195 -0.00759 0.09678 -0.00848 0.08194 3 2PX -0.05165 -0.02631 0.00310 0.01183 -0.01634 4 2PY -0.03937 -0.02603 -0.01117 -0.02804 0.05662 5 2PZ -0.03017 -0.01384 -0.04089 0.01765 0.01765 6 3S -0.82645 -0.45908 -0.52200 -0.78144 -0.25249 7 3PX 0.32029 -0.10930 -0.10791 -0.27546 -0.13267 8 3PY 0.18830 -0.31022 -0.31018 -0.36943 -0.23721 9 3PZ -0.06402 0.00210 0.19466 -0.16439 0.06541 10 4XX -0.02377 -0.00725 -0.04969 0.05797 0.00455 11 4YY -0.04133 0.03483 0.01927 -0.01676 -0.03281 12 4ZZ 0.06219 -0.05904 0.01492 -0.04095 0.02651 13 4XY -0.00402 -0.14050 0.06436 -0.36597 0.04622 14 4XZ -0.00373 -0.14592 -0.07058 -0.13137 0.02403 15 4YZ -0.03157 -0.03702 0.15213 -0.02910 -0.09956 16 2 C 1S -0.00058 -0.00503 -0.00205 0.00291 -0.00556 17 2S -0.03727 -0.12722 0.06252 -0.18995 -0.17194 18 2PX 0.02781 -0.00332 -0.02805 -0.04203 0.03871 19 2PY 0.03146 -0.05860 0.01545 -0.10874 -0.01599 20 2PZ 0.00584 0.01576 -0.01028 0.10136 -0.01803 21 3S 0.07546 0.24001 0.34925 0.22451 0.70692 22 3PX -0.03661 -0.17308 -0.16277 -0.23384 -0.24154 23 3PY -0.10597 0.14382 0.12924 0.28135 0.15227 24 3PZ -0.05116 0.13288 0.23667 0.15096 0.13075 25 4XX 0.06108 -0.04355 0.00878 -0.04705 0.00201 26 4YY -0.04393 0.08235 0.01252 0.18550 -0.02187 27 4ZZ -0.00872 -0.07944 -0.02841 -0.15771 0.01479 28 4XY -0.00172 0.05479 0.02494 0.14262 -0.01960 29 4XZ 0.02811 -0.05216 -0.02449 0.11563 -0.00970 30 4YZ -0.01123 -0.09792 0.01292 -0.21386 0.00876 31 3 C 1S -0.00058 -0.00503 0.00205 0.00291 0.00556 32 2S -0.03726 -0.12720 -0.06254 -0.18995 0.17194 33 2PX 0.02781 -0.00333 0.02805 -0.04203 -0.03871 34 2PY -0.03146 0.05860 0.01546 0.10874 -0.01600 35 2PZ 0.00584 0.01575 0.01028 0.10136 0.01803 36 3S 0.07545 0.24006 -0.34920 0.22450 -0.70692 37 3PX -0.03661 -0.17310 0.16274 -0.23384 0.24155 38 3PY 0.10597 -0.14383 0.12922 -0.28135 0.15227 39 3PZ -0.05116 0.13292 -0.23665 0.15096 -0.13075 40 4XX 0.06108 -0.04355 -0.00878 -0.04705 -0.00201 41 4YY -0.04393 0.08235 -0.01251 0.18550 0.02187 42 4ZZ -0.00872 -0.07944 0.02839 -0.15771 -0.01479 43 4XY 0.00172 -0.05480 0.02493 -0.14262 -0.01960 44 4XZ 0.02810 -0.05217 0.02448 0.11563 0.00970 45 4YZ 0.01123 0.09791 0.01294 0.21386 0.00876 46 4 C 1S 0.01543 0.00390 -0.01523 0.01249 0.00473 47 2S 0.26197 -0.00756 -0.09678 -0.00848 -0.08194 48 2PX -0.05165 -0.02631 -0.00310 0.01183 0.01634 49 2PY 0.03937 0.02603 -0.01117 0.02804 0.05662 50 2PZ -0.03017 -0.01385 0.04088 0.01765 -0.01765 51 3S -0.82651 -0.45919 0.52193 -0.78143 0.25249 52 3PX 0.32031 -0.10932 0.10789 -0.27546 0.13267 53 3PY -0.18830 0.31028 -0.31013 0.36942 -0.23721 54 3PZ -0.06401 0.00215 -0.19465 -0.16439 -0.06542 55 4XX -0.02377 -0.00726 0.04968 0.05797 -0.00455 56 4YY -0.04132 0.03483 -0.01926 -0.01676 0.03281 57 4ZZ 0.06218 -0.05904 -0.01494 -0.04095 -0.02650 58 4XY 0.00402 0.14048 0.06438 0.36597 0.04622 59 4XZ -0.00374 -0.14593 0.07056 -0.13137 -0.02403 60 4YZ 0.03158 0.03699 0.15214 0.02911 -0.09956 61 5 H 1S 0.15169 -0.00268 -0.04233 0.06607 -0.03188 62 2S 0.22092 -0.11877 -0.01242 -0.05622 -0.08993 63 6 H 1S -0.01550 0.09781 0.03568 0.30964 -0.02758 64 2S -0.04042 0.05265 0.09489 0.04621 0.03800 65 7 H 1S -0.01550 0.09782 -0.03567 0.30964 0.02758 66 2S -0.04042 0.05267 -0.09488 0.04621 -0.03800 67 8 H 1S 0.15169 -0.00269 0.04232 0.06607 0.03188 68 2S 0.22093 -0.11877 0.01240 -0.05622 0.08993 69 9 C 1S -0.02085 -0.00776 0.00000 -0.01070 0.00000 70 2S -0.26803 -0.33434 -0.00003 -0.52763 0.00000 71 2PX 0.02015 0.00992 0.00000 -0.08369 0.00000 72 2PY 0.00000 0.00000 0.03376 0.00000 -0.08494 73 2PZ -0.00795 0.05287 0.00000 0.09109 0.00000 74 3S 0.87896 0.94745 0.00008 1.42941 0.00000 75 3PX -0.13725 0.30314 0.00002 1.05757 0.00000 76 3PY 0.00001 0.00000 -0.01453 0.00000 0.09906 77 3PZ -0.13121 -0.22205 -0.00002 -0.19495 0.00000 78 4XX 0.03298 -0.11172 -0.00001 -0.20664 0.00000 79 4YY 0.08932 0.03580 0.00000 0.02321 0.00000 80 4ZZ -0.11499 0.08458 0.00001 0.19142 0.00000 81 4XY 0.00000 0.00002 -0.14180 0.00000 0.06371 82 4XZ 0.09662 -0.02571 0.00000 -0.02343 0.00000 83 4YZ 0.00000 -0.00001 0.12177 0.00000 -0.13077 84 10 H 1S -0.13286 0.12951 0.00001 0.28064 0.00000 85 2S -0.02403 -0.09788 -0.00001 0.14296 0.00000 86 11 H 1S -0.06570 -0.09292 0.00000 -0.26384 0.00000 87 2S -0.03923 -0.10745 -0.00001 -0.34228 0.00000 88 12 C 1S -0.00102 -0.00542 0.01066 0.00257 -0.00783 89 2S -0.16403 -0.05900 0.36161 -0.02751 0.06956 90 2PX 0.12931 0.01369 -0.11809 0.04066 -0.13369 91 2PY -0.17925 0.00298 -0.06411 -0.01329 -0.02446 92 2PZ -0.04990 0.00526 0.09931 -0.00616 0.01912 93 3S -0.17333 0.28255 0.09149 -0.12329 0.42162 94 3PX 0.08222 -0.09199 -0.42524 -0.12432 0.36435 95 3PY 0.18389 0.09832 0.19111 -0.14430 -0.06886 96 3PZ 0.00054 -0.01352 0.10223 0.13534 -0.15817 97 4XX 0.09228 0.09336 -0.04004 -0.11214 -0.15764 98 4YY -0.11270 0.03890 0.02979 0.05634 0.04843 99 4ZZ 0.03127 -0.15258 0.05391 0.01689 0.10146 100 4XY -0.01122 -0.02416 -0.00173 -0.01713 -0.03064 101 4XZ -0.08043 0.04899 0.05507 -0.03659 0.03443 102 4YZ 0.12791 -0.08128 -0.02285 0.12754 0.06267 103 13 C 1S -0.00102 -0.00541 -0.01066 0.00257 0.00783 104 2S -0.16402 -0.05892 -0.36162 -0.02753 -0.06956 105 2PX 0.12932 0.01367 0.11809 0.04066 0.13369 106 2PY 0.17924 -0.00296 -0.06411 0.01329 -0.02446 107 2PZ -0.04990 0.00528 -0.09930 -0.00617 -0.01912 108 3S -0.17324 0.28259 -0.09144 -0.12326 -0.42163 109 3PX 0.08216 -0.09210 0.42523 -0.12432 -0.36435 110 3PY -0.18384 -0.09835 0.19108 0.14433 -0.06885 111 3PZ 0.00059 -0.01348 -0.10224 0.13535 0.15817 112 4XX 0.09228 0.09335 0.04006 -0.11214 0.15763 113 4YY -0.11270 0.03891 -0.02978 0.05634 -0.04843 114 4ZZ 0.03127 -0.15256 -0.05394 0.01689 -0.10146 115 4XY 0.01122 0.02416 -0.00173 0.01713 -0.03064 116 4XZ -0.08043 0.04900 -0.05506 -0.03660 -0.03443 117 4YZ -0.12790 0.08128 -0.02283 -0.12754 0.06267 118 14 C 1S -0.00535 0.00065 -0.02428 -0.00114 0.00542 119 2S 0.02526 0.04836 -0.50159 -0.10477 0.14306 120 2PX -0.25013 0.00686 -0.02956 -0.04576 -0.06766 121 2PY 0.07532 0.02139 -0.17209 -0.02363 -0.02470 122 2PZ 0.12586 -0.00886 0.01625 -0.02874 0.04255 123 3S -0.18164 -0.09425 0.03537 0.55972 -1.32608 124 3PX 0.87223 -0.15609 0.29326 0.04740 0.67541 125 3PY 0.39755 -0.09222 2.49956 -0.46933 0.43621 126 3PZ -0.49717 0.10176 -0.04312 -0.07813 -0.46021 127 4XX 0.02356 0.10666 0.08494 -0.03916 -0.03532 128 4YY -0.03854 0.00632 -0.08507 0.04033 0.02315 129 4ZZ 0.04906 -0.11069 0.03984 -0.00872 0.02174 130 4XY 0.18095 -0.00492 0.04966 0.02899 0.13776 131 4XZ 0.13753 0.07570 -0.13197 -0.07440 0.12649 132 4YZ -0.21343 -0.00295 -0.08508 -0.02558 -0.12415 133 15 C 1S -0.00603 0.00055 0.00078 -0.00275 -0.01236 134 2S 0.25540 0.01896 0.06252 -0.03722 0.08199 135 2PX 0.12484 -0.00344 0.00146 -0.02900 0.08474 136 2PY -0.13098 -0.00534 -0.08179 -0.02282 -0.06395 137 2PZ -0.06556 -0.00731 -0.01149 0.00980 -0.12159 138 3S 0.26563 -0.09968 -1.13175 0.04213 0.18008 139 3PX -0.22482 0.02596 -0.66733 0.05635 0.20026 140 3PY -0.19497 0.06708 -0.38398 0.10009 -0.63578 141 3PZ 0.10403 0.06246 0.50909 -0.02544 -0.04732 142 4XX -0.12831 0.14805 -0.00818 0.03388 0.12282 143 4YY 0.11298 -0.01440 0.03377 0.01052 0.02796 144 4ZZ 0.01134 -0.12286 -0.03375 -0.04959 -0.12204 145 4XY 0.17837 -0.02837 -0.00094 0.04843 0.03968 146 4XZ 0.24497 0.06713 0.00852 -0.07538 0.15132 147 4YZ -0.15477 -0.09346 0.02045 -0.01942 -0.03894 148 16 C 1S -0.00603 0.00056 -0.00078 -0.00275 0.01236 149 2S 0.25543 0.01898 -0.06251 -0.03721 -0.08199 150 2PX 0.12484 -0.00344 -0.00146 -0.02900 -0.08474 151 2PY 0.13098 0.00536 -0.08179 0.02282 -0.06395 152 2PZ -0.06556 -0.00731 0.01149 0.00980 0.12159 153 3S 0.26537 -0.09996 1.13173 0.04209 -0.18007 154 3PX -0.22494 0.02581 0.66733 0.05634 -0.20026 155 3PY 0.19506 -0.06698 -0.38400 -0.10008 -0.63578 156 3PZ 0.10411 0.06258 -0.50907 -0.02543 0.04732 157 4XX -0.12832 0.14805 0.00821 0.03388 -0.12281 158 4YY 0.11298 -0.01439 -0.03377 0.01052 -0.02796 159 4ZZ 0.01134 -0.12287 0.03373 -0.04959 0.12203 160 4XY -0.17837 0.02837 -0.00094 -0.04843 0.03968 161 4XZ 0.24497 0.06713 -0.00851 -0.07538 -0.15132 162 4YZ 0.15477 0.09345 0.02047 0.01942 -0.03894 163 17 C 1S -0.00536 0.00064 0.02428 -0.00114 -0.00542 164 2S 0.02522 0.04825 0.50160 -0.10476 -0.14307 165 2PX -0.25014 0.00685 0.02956 -0.04576 0.06766 166 2PY -0.07532 -0.02135 -0.17210 0.02363 -0.02470 167 2PZ 0.12586 -0.00886 -0.01625 -0.02874 -0.04255 168 3S -0.18145 -0.09421 -0.03540 0.55976 1.32610 169 3PX 0.87222 -0.15603 -0.29326 0.04738 -0.67541 170 3PY -0.39767 0.09167 2.49955 0.46935 0.43623 171 3PZ -0.49714 0.10176 0.04313 -0.07811 0.46020 172 4XX 0.02356 0.10668 -0.08492 -0.03916 0.03532 173 4YY -0.03854 0.00630 0.08507 0.04034 -0.02316 174 4ZZ 0.04906 -0.11068 -0.03987 -0.00872 -0.02174 175 4XY -0.18095 0.00491 0.04966 -0.02898 0.13776 176 4XZ 0.13753 0.07568 0.13198 -0.07439 -0.12649 177 4YZ 0.21343 0.00297 -0.08508 0.02558 -0.12415 178 18 H 1S -0.00263 -0.02908 0.04976 0.11533 -0.05095 179 2S -0.08280 -0.02180 -0.01789 0.06152 -0.10728 180 19 H 1S -0.00262 -0.02907 -0.04976 0.11533 0.05096 181 2S -0.08277 -0.02180 0.01789 0.06152 0.10729 182 20 H 1S -0.12215 -0.01110 -0.06437 -0.05142 -0.03434 183 2S -0.07433 0.01948 -0.17783 0.04101 -0.06404 184 21 H 1S -0.12217 -0.01112 0.06436 -0.05142 0.03434 185 2S -0.07437 0.01944 0.17784 0.04100 0.06404 186 22 O 1S -0.00784 0.00117 0.04915 0.01178 0.01515 187 2S -0.11618 0.03644 0.89608 0.26606 0.33474 188 2PX 0.12950 0.01529 -0.02043 0.03088 -0.06338 189 2PY -0.02142 -0.00599 -0.07168 -0.01854 -0.07655 190 2PZ -0.11209 -0.00760 0.04513 -0.01026 0.06341 191 3S 0.52885 -0.09989 -3.16221 -0.89876 -1.13165 192 3PX -0.29748 0.00071 -0.04072 -0.07988 0.15007 193 3PY -0.14030 0.03096 0.87463 0.27233 0.37088 194 3PZ 0.23104 -0.00823 -0.13793 -0.00383 -0.17297 195 4XX -0.07580 0.43581 0.02580 -0.14100 -0.27118 196 4YY -0.03688 0.02388 0.31983 0.08397 0.09130 197 4ZZ 0.04669 -0.44243 0.18827 0.19435 0.37582 198 4XY 0.09444 0.09069 -0.06844 -0.02158 -0.17002 199 4XZ 0.08401 0.21035 0.34291 -0.16409 -0.33551 200 4YZ -0.11232 -0.04157 0.10839 -0.07649 0.09226 201 23 O 1S -0.00784 0.00118 -0.04915 0.01178 -0.01515 202 2S -0.11618 0.03663 -0.89608 0.26604 -0.33473 203 2PX 0.12950 0.01529 0.02043 0.03088 0.06338 204 2PY 0.02142 0.00600 -0.07168 0.01854 -0.07655 205 2PZ -0.11209 -0.00759 -0.04513 -0.01027 -0.06341 206 3S 0.52883 -0.10058 3.16223 -0.89870 1.13163 207 3PX -0.29748 0.00070 0.04073 -0.07989 -0.15006 208 3PY 0.14031 -0.03115 0.87463 -0.27231 0.37088 209 3PZ 0.23105 -0.00826 0.13793 -0.00382 0.17297 210 4XX -0.07581 0.43581 -0.02571 -0.14101 0.27118 211 4YY -0.03688 0.02395 -0.31983 0.08397 -0.09130 212 4ZZ 0.04669 -0.44239 -0.18837 0.19435 -0.37582 213 4XY -0.09443 -0.09068 -0.06847 0.02158 -0.17002 214 4XZ 0.08401 0.21042 -0.34286 -0.16410 0.33551 215 4YZ 0.11232 0.04154 0.10841 0.07650 0.09226 151 152 153 154 155 V V V V V Eigenvalues -- 1.83856 1.84605 1.87610 1.89140 1.89570 1 1 C 1S 0.00337 0.00387 -0.00940 0.02909 0.00481 2 2S -0.00640 -0.18106 0.26653 0.32463 0.38861 3 2PX -0.07912 0.04206 -0.09939 -0.08145 -0.06308 4 2PY -0.05159 -0.01254 0.12694 -0.04246 0.16578 5 2PZ 0.02767 -0.02561 0.13274 0.00258 0.05905 6 3S -0.34015 0.39386 -0.49874 -1.64338 -1.40348 7 3PX -0.01054 -0.08615 0.06680 -0.11438 -0.42235 8 3PY -0.15478 -0.03451 -0.69434 -0.97319 -1.09508 9 3PZ 0.19836 0.01659 -0.21604 0.45108 0.30054 10 4XX -0.04233 -0.00430 0.04036 -0.10268 0.01801 11 4YY 0.06517 0.00957 -0.02331 0.14428 -0.11999 12 4ZZ -0.07819 0.02232 -0.02512 -0.10706 0.06539 13 4XY 0.00781 -0.03151 0.06352 0.14942 0.17929 14 4XZ -0.21043 -0.01015 0.13960 -0.19275 -0.02107 15 4YZ -0.00851 0.11018 -0.30041 -0.10080 -0.09802 16 2 C 1S -0.01199 -0.00074 -0.00200 -0.01691 -0.00887 17 2S -0.13178 0.12300 -0.26514 -0.03769 -0.36078 18 2PX 0.02175 -0.04396 0.05478 -0.01069 0.07178 19 2PY -0.05269 0.04064 -0.11067 0.00848 -0.06648 20 2PZ -0.03578 0.02629 -0.02210 -0.00641 -0.08473 21 3S 0.29225 -0.26680 1.06516 0.85510 2.21542 22 3PX -0.21686 0.16626 -0.34473 -0.48141 -0.84717 23 3PY 0.08851 -0.05885 0.61710 -0.00453 0.75802 24 3PZ 0.16251 -0.07600 0.19939 0.29901 0.77355 25 4XX 0.00275 -0.02549 0.05782 0.18477 -0.00761 26 4YY 0.05018 0.03386 -0.07122 -0.13591 -0.08007 27 4ZZ -0.12419 -0.00887 0.03018 -0.08522 0.07929 28 4XY 0.07211 0.03666 -0.11123 0.02922 -0.01766 29 4XZ -0.18043 0.00703 -0.01926 -0.21251 -0.07588 30 4YZ -0.07838 -0.00217 0.01050 -0.03505 0.02296 31 3 C 1S -0.01199 0.00074 0.00200 -0.01691 0.00887 32 2S -0.13178 -0.12300 0.26515 -0.03763 0.36078 33 2PX 0.02175 0.04396 -0.05478 -0.01070 -0.07177 34 2PY 0.05269 0.04064 -0.11067 -0.00850 -0.06647 35 2PZ -0.03578 -0.02628 0.02210 -0.00640 0.08473 36 3S 0.29219 0.26680 -1.06522 0.85475 -2.21554 37 3PX -0.21684 -0.16626 0.34476 -0.48128 0.84724 38 3PY -0.08849 -0.05885 0.61710 0.00467 0.75800 39 3PZ 0.16249 0.07600 -0.19941 0.29891 -0.77359 40 4XX 0.00275 0.02549 -0.05784 0.18476 0.00758 41 4YY 0.05018 -0.03386 0.07122 -0.13589 0.08009 42 4ZZ -0.12419 0.00887 -0.03017 -0.08523 -0.07928 43 4XY -0.07211 0.03665 -0.11123 -0.02923 -0.01764 44 4XZ -0.18043 -0.00703 0.01928 -0.21250 0.07590 45 4YZ 0.07838 -0.00217 0.01050 0.03506 0.02295 46 4 C 1S 0.00337 -0.00387 0.00940 0.02909 -0.00482 47 2S -0.00640 0.18106 -0.26655 0.32456 -0.38868 48 2PX -0.07912 -0.04206 0.09939 -0.08143 0.06310 49 2PY 0.05160 -0.01254 0.12694 0.04248 0.16577 50 2PZ 0.02767 0.02561 -0.13274 0.00256 -0.05906 51 3S -0.34011 -0.39386 0.49883 -1.64317 1.40375 52 3PX -0.01052 0.08615 -0.06679 -0.11433 0.42233 53 3PY 0.15475 -0.03452 -0.69440 0.97301 -1.09521 54 3PZ 0.19835 -0.01660 0.21601 0.45106 -0.30059 55 4XX -0.04232 0.00430 -0.04035 -0.10268 -0.01799 56 4YY 0.06517 -0.00957 0.02330 0.14429 0.11997 57 4ZZ -0.07819 -0.02232 0.02513 -0.10707 -0.06539 58 4XY -0.00781 -0.03151 0.06352 -0.14940 0.17931 59 4XZ -0.21043 0.01015 -0.13959 -0.19276 0.02108 60 4YZ 0.00851 0.11018 -0.30041 0.10077 -0.09804 61 5 H 1S -0.08126 0.01905 -0.15809 -0.24173 -0.13480 62 2S -0.02119 -0.12304 -0.17193 -0.20715 -0.22557 63 6 H 1S 0.02673 0.02420 -0.03939 -0.04592 0.01697 64 2S 0.08667 -0.04845 0.15772 0.12637 0.32533 65 7 H 1S 0.02673 -0.02419 0.03939 -0.04592 -0.01698 66 2S 0.08666 0.04845 -0.15773 0.12632 -0.32534 67 8 H 1S -0.08126 -0.01905 0.15811 -0.24170 0.13482 68 2S -0.02119 0.12305 0.17194 -0.20711 0.22560 69 9 C 1S 0.01133 0.00000 0.00000 -0.01333 0.00000 70 2S 0.07863 -0.00001 0.00000 0.08346 0.00000 71 2PX -0.03345 0.00000 0.00000 0.02086 0.00000 72 2PY 0.00000 0.07735 -0.29913 -0.00002 -0.23421 73 2PZ 0.04735 0.00000 0.00000 -0.08355 0.00001 74 3S -0.25392 0.00001 -0.00003 0.98521 -0.00011 75 3PX 0.11116 0.00000 -0.00001 0.31344 -0.00002 76 3PY 0.00000 0.02426 0.01516 0.00000 0.18421 77 3PZ -0.25573 0.00000 0.00002 -0.67648 0.00003 78 4XX -0.09237 0.00000 0.00001 -0.14745 0.00000 79 4YY 0.00448 0.00000 0.00000 -0.12125 0.00002 80 4ZZ 0.07872 0.00000 -0.00001 0.25797 -0.00002 81 4XY 0.00000 -0.13027 0.16228 0.00001 0.20086 82 4XZ -0.09994 0.00000 0.00001 -0.20622 0.00001 83 4YZ 0.00000 0.09672 -0.36565 -0.00002 -0.19408 84 10 H 1S 0.00480 0.00000 0.00000 -0.05460 0.00001 85 2S 0.27348 0.00000 -0.00001 0.26387 0.00000 86 11 H 1S 0.10466 0.00000 0.00000 0.04155 0.00001 87 2S 0.02583 0.00000 0.00000 0.00629 0.00001 88 12 C 1S -0.02122 0.00640 -0.00907 -0.03773 0.02528 89 2S -0.21104 -0.11874 -0.14791 -0.38419 -0.05736 90 2PX -0.02371 0.09665 -0.11646 -0.10654 0.03402 91 2PY -0.00088 -0.05783 0.00200 -0.00141 -0.13660 92 2PZ -0.05070 -0.07080 0.03387 -0.02058 -0.07882 93 3S 1.06567 -0.79532 0.15413 1.68371 0.21035 94 3PX -0.06053 0.25254 0.22982 0.02057 0.18132 95 3PY 0.49047 0.28089 0.69064 0.43433 -0.99983 96 3PZ -0.10563 -0.35394 -0.24470 0.45867 0.14177 97 4XX 0.12535 -0.03925 0.03037 -0.09720 0.08234 98 4YY -0.00311 -0.03254 0.00614 -0.13454 0.00737 99 4ZZ -0.10494 0.06042 -0.00604 0.26630 -0.07134 100 4XY 0.07398 0.02521 0.02289 0.06188 -0.11181 101 4XZ 0.02190 -0.15070 0.12563 0.03646 -0.09021 102 4YZ -0.28106 0.07281 0.02888 0.08152 0.01030 103 13 C 1S -0.02122 -0.00640 0.00907 -0.03773 -0.02527 104 2S -0.21105 0.11874 0.14792 -0.38419 0.05748 105 2PX -0.02371 -0.09665 0.11647 -0.10654 -0.03402 106 2PY 0.00088 -0.05783 0.00200 0.00140 -0.13660 107 2PZ -0.05070 0.07080 -0.03387 -0.02057 0.07884 108 3S 1.06568 0.79531 -0.15420 1.68377 -0.21078 109 3PX -0.06055 -0.25254 -0.22982 0.02051 -0.18124 110 3PY -0.49046 0.28089 0.69066 -0.43435 -0.99976 111 3PZ -0.10561 0.35394 0.24468 0.45871 -0.14189 112 4XX 0.12535 0.03924 -0.03036 -0.09721 -0.08236 113 4YY -0.00311 0.03254 -0.00613 -0.13454 -0.00735 114 4ZZ -0.10494 -0.06042 0.00602 0.26631 0.07132 115 4XY -0.07399 0.02522 0.02289 -0.06189 -0.11180 116 4XZ 0.02191 0.15070 -0.12564 0.03646 0.09025 117 4YZ 0.28106 0.07280 0.02889 -0.08152 0.01030 118 14 C 1S -0.00256 -0.00382 -0.01502 0.00886 -0.00606 119 2S 0.22602 -0.03805 -0.35015 0.25588 -0.07303 120 2PX 0.07968 0.09556 -0.05233 0.03257 0.06183 121 2PY 0.06709 -0.00481 -0.06764 0.03080 -0.11018 122 2PZ 0.03306 -0.03531 -0.02437 -0.05473 -0.03865 123 3S -0.69490 0.52570 1.81108 -0.74194 -0.81468 124 3PX -0.35579 -1.06148 0.03735 -0.96542 -0.92339 125 3PY 0.17006 -0.49378 -0.78009 -0.62359 2.28900 126 3PZ 0.61473 0.50175 -0.06622 0.10416 0.91540 127 4XX -0.03694 -0.07041 0.00608 -0.13390 -0.02861 128 4YY -0.00016 0.02809 0.07935 0.11406 0.02786 129 4ZZ 0.03731 0.02420 -0.07942 -0.00913 0.05395 130 4XY 0.07643 -0.21835 0.04126 -0.10696 -0.19841 131 4XZ 0.13052 -0.14591 -0.15982 0.07225 0.15738 132 4YZ 0.13243 0.14444 0.01306 -0.07981 0.13009 133 15 C 1S 0.00106 0.01244 0.00355 -0.00195 0.01853 134 2S 0.11804 -0.12422 0.06850 0.06447 0.01870 135 2PX 0.01724 -0.14859 -0.01119 0.02943 -0.05339 136 2PY -0.01772 0.06171 0.00503 -0.00495 -0.06258 137 2PZ 0.01590 0.06648 0.00008 0.01146 0.04248 138 3S -0.38437 -0.13382 0.18116 -0.22597 -2.40484 139 3PX -0.21691 -0.11327 -0.20171 0.10204 -1.06268 140 3PY 0.12916 0.58986 0.57739 0.21311 -0.87885 141 3PZ -0.02561 0.25440 0.18330 0.04587 0.75232 142 4XX -0.27395 0.14956 0.04017 0.21725 0.02448 143 4YY -0.00890 -0.03344 0.00756 -0.05749 -0.06107 144 4ZZ 0.28245 -0.14411 -0.07160 -0.15017 0.02662 145 4XY 0.15764 -0.08005 -0.01889 -0.02609 0.00962 146 4XZ -0.05031 -0.12873 -0.06388 -0.00814 -0.11265 147 4YZ -0.00146 -0.00011 0.00684 -0.10818 -0.01379 148 16 C 1S 0.00106 -0.01244 -0.00355 -0.00195 -0.01854 149 2S 0.11804 0.12422 -0.06850 0.06447 -0.01870 150 2PX 0.01724 0.14859 0.01119 0.02944 0.05337 151 2PY 0.01772 0.06171 0.00503 0.00494 -0.06259 152 2PZ 0.01590 -0.06648 -0.00008 0.01145 -0.04247 153 3S -0.38438 0.13382 -0.18115 -0.22581 2.40496 154 3PX -0.21692 0.11328 0.20171 0.10213 1.06261 155 3PY -0.12917 0.58986 0.57739 -0.21313 -0.87869 156 3PZ -0.02561 -0.25440 -0.18330 0.04579 -0.75228 157 4XX -0.27396 -0.14956 -0.04019 0.21724 -0.02448 158 4YY -0.00890 0.03344 -0.00755 -0.05749 0.06107 159 4ZZ 0.28246 0.14411 0.07161 -0.15017 -0.02661 160 4XY -0.15764 -0.08005 -0.01889 0.02609 0.00957 161 4XZ -0.05032 0.12873 0.06388 -0.00812 0.11262 162 4YZ 0.00146 -0.00011 0.00683 0.10818 -0.01377 163 17 C 1S -0.00256 0.00382 0.01502 0.00886 0.00606 164 2S 0.22601 0.03805 0.35014 0.25590 0.07301 165 2PX 0.07968 -0.09556 0.05233 0.03256 -0.06184 166 2PY -0.06709 -0.00480 -0.06764 -0.03081 -0.11018 167 2PZ 0.03306 0.03531 0.02437 -0.05472 0.03866 168 3S -0.69484 -0.52568 -1.81103 -0.74195 0.81469 169 3PX -0.35579 1.06149 -0.03731 -0.96531 0.92364 170 3PY -0.17004 -0.49379 -0.78011 0.62371 2.28862 171 3PZ 0.61474 -0.50175 0.06623 0.10408 -0.91549 172 4XX -0.03694 0.07041 -0.00607 -0.13390 0.02862 173 4YY -0.00016 -0.02809 -0.07936 0.11405 -0.02788 174 4ZZ 0.03731 -0.02420 0.07941 -0.00913 -0.05393 175 4XY -0.07643 -0.21835 0.04125 0.10695 -0.19840 176 4XZ 0.13052 0.14590 0.15982 0.07225 -0.15736 177 4YZ -0.13243 0.14444 0.01305 0.07982 0.13009 178 18 H 1S -0.31240 -0.11844 -0.11596 -0.14409 0.11737 179 2S -0.15849 -0.18469 -0.23582 -0.13506 0.07943 180 19 H 1S -0.31240 0.11844 0.11596 -0.14409 -0.11732 181 2S -0.15848 0.18469 0.23583 -0.13504 -0.07942 182 20 H 1S -0.05913 -0.02715 -0.00358 -0.02678 -0.21253 183 2S 0.01293 0.02674 0.02033 0.06327 -0.36436 184 21 H 1S -0.05913 0.02715 0.00359 -0.02676 0.21243 185 2S 0.01293 -0.02674 -0.02033 0.06330 0.36432 186 22 O 1S -0.00728 -0.01091 -0.02339 0.00907 0.03876 187 2S -0.13037 -0.16505 -0.39471 0.10232 0.77014 188 2PX 0.04306 0.13189 -0.01450 -0.06966 0.10875 189 2PY 0.03742 0.01046 -0.00296 0.04558 -0.09480 190 2PZ 0.06427 -0.07015 0.00564 -0.06099 -0.08113 191 3S 0.49758 0.72891 1.61124 -0.48715 -2.84678 192 3PX 0.00219 -0.31113 0.08555 0.20907 -0.37384 193 3PY -0.17067 -0.21075 -0.47574 0.10651 0.77481 194 3PZ -0.15433 0.18277 0.02113 0.06104 0.17772 195 4XX -0.16783 -0.42939 -0.17533 -0.05891 0.17018 196 4YY 0.01936 -0.03551 -0.10733 0.02247 0.25773 197 4ZZ 0.06202 0.36282 0.06710 0.08740 -0.00134 198 4XY 0.10303 0.13447 0.02762 -0.14033 0.12263 199 4XZ -0.01791 0.00945 0.31392 0.04549 -0.08419 200 4YZ 0.19038 -0.07651 0.08363 -0.14962 -0.13210 201 23 O 1S -0.00728 0.01091 0.02339 0.00907 -0.03877 202 2S -0.13038 0.16506 0.39471 0.10228 -0.77026 203 2PX 0.04306 -0.13189 0.01451 -0.06967 -0.10875 204 2PY -0.03742 0.01047 -0.00296 -0.04560 -0.09480 205 2PZ 0.06427 0.07014 -0.00563 -0.06099 0.08113 206 3S 0.49763 -0.72892 -1.61124 -0.48703 2.84721 207 3PX 0.00219 0.31113 -0.08557 0.20911 0.37384 208 3PY 0.17068 -0.21076 -0.47574 -0.10648 0.77492 209 3PZ -0.15432 -0.18277 -0.02114 0.06102 -0.17771 210 4XX -0.16783 0.42939 0.17534 -0.05891 -0.17018 211 4YY 0.01936 0.03551 0.10733 0.02245 -0.25777 212 4ZZ 0.06201 -0.36282 -0.06710 0.08739 0.00131 213 4XY -0.10303 0.13446 0.02760 0.14035 0.12261 214 4XZ -0.01791 -0.00945 -0.31391 0.04548 0.08417 215 4YZ -0.19037 -0.07651 0.08362 0.14962 -0.13212 156 157 158 159 160 V V V V V Eigenvalues -- 1.89791 1.90943 1.93126 1.95697 1.98326 1 1 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01427 2 2S -0.16875 0.07903 0.07455 -0.44108 0.35243 3 2PX 0.10255 0.01043 0.10048 -0.15543 0.12805 4 2PY 0.00723 -0.01621 0.00250 -0.04039 0.08591 5 2PZ -0.03931 -0.07777 -0.11059 0.19700 -0.06191 6 3S 0.59382 -0.11656 -0.33391 0.98688 -1.18214 7 3PX -0.17798 0.09060 -0.30439 0.06388 -0.34701 8 3PY 0.15281 0.05315 -0.20631 0.20915 -0.81884 9 3PZ -0.04770 0.09791 0.40448 -0.33457 0.12525 10 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02105 11 4YY 0.01016 0.05105 0.11817 -0.11833 0.04092 12 4ZZ -0.02307 0.03270 0.01307 -0.03770 -0.05326 13 4XY -0.05349 -0.03284 -0.04735 0.07132 -0.02384 14 4XZ -0.00289 -0.06252 -0.06267 -0.04845 0.19939 15 4YZ 0.06848 0.11265 0.15287 -0.12295 -0.01401 16 2 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 17 2S 0.00223 -0.06442 -0.04488 -0.05813 0.29014 18 2PX 0.04060 0.03119 -0.02274 0.03135 -0.15702 19 2PY -0.02518 -0.05970 -0.10958 0.08729 -0.04191 20 2PZ -0.04830 -0.03123 0.00636 0.01192 0.08821 21 3S -0.17859 0.03717 0.36200 -0.40247 0.21081 22 3PX 0.12648 -0.01071 -0.11077 -0.05933 0.00269 23 3PY 0.03501 0.07680 0.09960 0.06868 0.03879 24 3PZ -0.01643 0.00814 0.08273 0.07146 0.02168 25 4XX -0.09274 -0.08650 -0.10184 0.16944 0.03596 26 4YY 0.05641 0.07926 0.15456 -0.16944 0.06227 27 4ZZ 0.04737 -0.00787 -0.08177 0.02770 -0.10286 28 4XY -0.09791 -0.10405 -0.10695 0.27207 -0.05291 29 4XZ 0.00299 -0.03823 0.02246 -0.03523 0.20536 30 4YZ 0.08993 0.06033 0.02743 -0.21664 0.01613 31 3 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 32 2S 0.00217 -0.06442 -0.04487 -0.05814 0.29014 33 2PX 0.04061 0.03119 -0.02274 0.03135 -0.15703 34 2PY 0.02519 0.05970 0.10958 -0.08729 0.04191 35 2PZ -0.04832 -0.03123 0.00636 0.01192 0.08821 36 3S -0.17821 0.03718 0.36196 -0.40239 0.21087 37 3PX 0.12633 -0.01072 -0.11076 -0.05936 0.00267 38 3PY -0.03514 -0.07680 -0.09958 -0.06871 -0.03880 39 3PZ -0.01629 0.00815 0.08272 0.07148 0.02170 40 4XX -0.09274 -0.08651 -0.10184 0.16944 0.03596 41 4YY 0.05640 0.07926 0.15456 -0.16944 0.06227 42 4ZZ 0.04739 -0.00787 -0.08177 0.02770 -0.10286 43 4XY 0.09791 0.10405 0.10695 -0.27207 0.05291 44 4XZ 0.00298 -0.03823 0.02246 -0.03523 0.20536 45 4YZ -0.08993 -0.06033 -0.02743 0.21664 -0.01613 46 4 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01427 47 2S -0.16869 0.07903 0.07454 -0.44106 0.35245 48 2PX 0.10254 0.01043 0.10048 -0.15544 0.12806 49 2PY -0.00725 0.01621 -0.00250 0.04038 -0.08591 50 2PZ -0.03931 -0.07777 -0.11059 0.19700 -0.06191 51 3S 0.59357 -0.11657 -0.33387 0.98681 -1.18222 52 3PX -0.17807 0.09059 -0.30439 0.06386 -0.34702 53 3PY -0.15262 -0.05314 0.20629 -0.20910 0.81888 54 3PZ -0.04764 0.09791 0.40448 -0.33455 0.12527 55 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02105 56 4YY 0.01014 0.05104 0.11817 -0.11832 0.04093 57 4ZZ -0.02306 0.03271 0.01307 -0.03770 -0.05326 58 4XY 0.05346 0.03284 0.04735 -0.07132 0.02384 59 4XZ -0.00289 -0.06253 -0.06267 -0.04845 0.19939 60 4YZ -0.06847 -0.11265 -0.15287 0.12295 0.01401 61 5 H 1S -0.02725 0.02040 -0.09205 -0.05270 -0.10284 62 2S 0.03381 0.04496 -0.01252 0.03161 -0.14564 63 6 H 1S -0.08507 -0.08722 -0.04740 0.27532 0.04663 64 2S 0.03122 0.04942 0.06526 0.01443 -0.01651 65 7 H 1S -0.08506 -0.08722 -0.04740 0.27533 0.04663 66 2S 0.03127 0.04943 0.06526 0.01444 -0.01651 67 8 H 1S -0.02727 0.02040 -0.09205 -0.05271 -0.10284 68 2S 0.03377 0.04497 -0.01251 0.03159 -0.14566 69 9 C 1S 0.01261 0.01504 0.02914 -0.00850 -0.03572 70 2S 0.02033 -0.04525 0.05780 0.26326 -0.34112 71 2PX 0.01859 -0.03308 -0.10198 -0.01360 -0.02904 72 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.07868 0.02978 0.05806 -0.05693 0.03961 74 3S -0.61984 -0.12625 -0.50674 -0.61673 1.64889 75 3PX -0.06146 -0.15510 0.29519 -0.06163 0.70290 76 3PY -0.00001 0.00000 -0.00001 0.00000 0.00000 77 3PZ -0.02950 -0.11565 -0.27715 0.40026 -0.75067 78 4XX -0.04789 -0.11757 -0.26666 0.17558 0.00573 79 4YY 0.12152 0.21935 0.11020 -0.23323 -0.34032 80 4ZZ -0.08851 -0.12272 0.13074 0.02622 0.34861 81 4XY -0.00001 0.00000 0.00000 0.00000 0.00001 82 4XZ 0.03319 -0.10136 -0.27279 -0.00127 -0.05823 83 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.05625 0.02978 0.12055 -0.10292 -0.11869 85 2S 0.10521 -0.01497 0.22667 0.04471 0.34869 86 11 H 1S 0.08257 0.22034 0.26670 -0.06021 -0.24540 87 2S 0.11167 -0.00026 -0.04856 -0.03133 -0.02465 88 12 C 1S 0.02432 0.00933 0.00692 0.03490 -0.01830 89 2S 0.47158 0.18976 -0.15557 0.44593 -0.11400 90 2PX -0.07553 -0.01014 -0.02076 0.05474 -0.00709 91 2PY 0.00404 -0.08139 -0.07668 -0.00969 0.10526 92 2PZ 0.09718 -0.01025 -0.02591 0.03817 -0.01542 93 3S -1.49407 -0.22684 0.30043 -1.57745 0.64666 94 3PX 0.48943 0.07405 0.18729 0.15311 0.30853 95 3PY -0.15795 -0.00003 0.46432 -0.26001 0.30417 96 3PZ -0.44556 0.05944 0.00366 -0.28380 -0.20982 97 4XX -0.13977 0.15509 0.00569 -0.08237 -0.27945 98 4YY 0.06844 -0.22622 0.00630 0.04372 0.18686 99 4ZZ 0.04497 0.13658 0.05057 0.01857 0.03903 100 4XY -0.02809 0.09153 -0.10228 -0.09511 0.15722 101 4XZ 0.23042 0.13400 0.21280 0.21072 -0.05734 102 4YZ 0.04344 0.02411 0.11336 0.07244 -0.26288 103 13 C 1S 0.02433 0.00933 0.00692 0.03490 -0.01829 104 2S 0.47157 0.18975 -0.15558 0.44594 -0.11395 105 2PX -0.07553 -0.01014 -0.02076 0.05474 -0.00709 106 2PY -0.00401 0.08139 0.07668 0.00969 -0.10525 107 2PZ 0.09717 -0.01025 -0.02591 0.03817 -0.01542 108 3S -1.49403 -0.22678 0.30052 -1.57752 0.64638 109 3PX 0.48946 0.07403 0.18726 0.15313 0.30859 110 3PY 0.15812 0.00007 -0.46427 0.25999 -0.30424 111 3PZ -0.44553 0.05947 0.00370 -0.28382 -0.20989 112 4XX -0.13976 0.15509 0.00569 -0.08237 -0.27946 113 4YY 0.06844 -0.22622 0.00630 0.04372 0.18687 114 4ZZ 0.04496 0.13657 0.05057 0.01857 0.03903 115 4XY 0.02811 -0.09154 0.10228 0.09512 -0.15720 116 4XZ 0.23040 0.13400 0.21280 0.21072 -0.05733 117 4YZ -0.04345 -0.02412 -0.11336 -0.07244 0.26288 118 14 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 119 2S 0.06290 -0.11569 0.01135 -0.18255 0.21496 120 2PX -0.03346 0.01129 0.05512 -0.00332 0.12674 121 2PY 0.01618 0.01564 -0.01070 -0.01973 0.14003 122 2PZ 0.08172 -0.00969 -0.01602 0.01377 -0.03461 123 3S -0.44573 0.86668 -1.29697 0.07579 -0.31866 124 3PX 0.78928 -0.24849 -0.12365 0.59462 -0.65586 125 3PY 1.70527 -0.23192 1.47717 1.49928 0.85233 126 3PZ -0.50511 0.13945 0.12348 -0.16042 0.30580 127 4XX -0.03053 0.02245 0.10968 0.16163 -0.00861 128 4YY -0.00714 -0.02278 -0.21041 -0.21010 -0.10560 129 4ZZ 0.05063 0.06832 0.16197 0.15338 0.13951 130 4XY -0.07217 0.00344 -0.03715 -0.03114 -0.07032 131 4XZ 0.10861 0.04359 -0.01436 0.01748 0.07260 132 4YZ -0.00317 -0.02097 -0.04737 -0.01799 -0.03612 133 15 C 1S -0.00876 0.01325 0.00638 0.01460 0.01387 134 2S 0.04121 0.18679 -0.07394 0.06402 0.21475 135 2PX -0.11723 0.02474 0.03070 -0.02413 0.01549 136 2PY 0.08783 -0.02026 0.01364 0.06209 0.01325 137 2PZ 0.08011 -0.01233 -0.01646 -0.00263 -0.00148 138 3S 0.67867 -0.76094 -0.05583 -0.08720 -0.83544 139 3PX -0.32132 -0.01286 -0.14288 -0.22344 -0.26102 140 3PY -0.95068 0.44085 -0.25570 -0.39207 0.16445 141 3PZ 0.24046 0.01613 0.09556 0.14379 0.23913 142 4XX 0.15467 -0.00657 -0.11202 -0.02796 -0.00404 143 4YY -0.05470 -0.06921 0.12924 0.00187 -0.00457 144 4ZZ -0.06993 0.08962 -0.03118 0.05963 -0.00343 145 4XY 0.31408 -0.03141 -0.17975 -0.03785 0.03564 146 4XZ -0.24433 0.17490 0.13393 0.13461 0.21947 147 4YZ -0.21685 0.01568 0.13117 0.06136 -0.05103 148 16 C 1S -0.00875 0.01325 0.00638 0.01460 0.01387 149 2S 0.04121 0.18680 -0.07393 0.06402 0.21473 150 2PX -0.11724 0.02474 0.03070 -0.02413 0.01549 151 2PY -0.08781 0.02026 -0.01365 -0.06209 -0.01324 152 2PZ 0.08012 -0.01233 -0.01646 -0.00263 -0.00148 153 3S 0.67826 -0.76105 -0.05592 -0.08719 -0.83526 154 3PX -0.32148 -0.01291 -0.14291 -0.22344 -0.26097 155 3PY 0.95085 -0.44080 0.25573 0.39207 -0.16453 156 3PZ 0.24058 0.01616 0.09558 0.14379 0.23911 157 4XX 0.15467 -0.00657 -0.11202 -0.02795 -0.00403 158 4YY -0.05470 -0.06921 0.12924 0.00186 -0.00457 159 4ZZ -0.06993 0.08963 -0.03118 0.05963 -0.00344 160 4XY -0.31408 0.03141 0.17975 0.03785 -0.03565 161 4XZ -0.24435 0.17490 0.13393 0.13460 0.21946 162 4YZ 0.21685 -0.01568 -0.13118 -0.06136 0.05103 163 17 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 164 2S 0.06290 -0.11570 0.01135 -0.18255 0.21499 165 2PX -0.03345 0.01129 0.05512 -0.00332 0.12674 166 2PY -0.01616 -0.01564 0.01070 0.01974 -0.14003 167 2PZ 0.08172 -0.00969 -0.01602 0.01377 -0.03461 168 3S -0.44591 0.86669 -1.29695 0.07574 -0.31879 169 3PX 0.78911 -0.24849 -0.12367 0.59457 -0.65592 170 3PY -1.70569 0.23183 -1.47725 -1.49928 -0.85218 171 3PZ -0.50496 0.13946 0.12349 -0.16041 0.30580 172 4XX -0.03054 0.02245 0.10968 0.16163 -0.00862 173 4YY -0.00714 -0.02279 -0.21041 -0.21010 -0.10557 174 4ZZ 0.05064 0.06833 0.16197 0.15337 0.13949 175 4XY 0.07221 -0.00344 0.03715 0.03114 0.07032 176 4XZ 0.10864 0.04360 -0.01435 0.01748 0.07260 177 4YZ 0.00315 0.02097 0.04737 0.01799 0.03612 178 18 H 1S 0.14646 0.03205 0.06184 0.24196 -0.36795 179 2S -0.06239 0.08100 -0.10559 0.12331 -0.15558 180 19 H 1S 0.14648 0.03205 0.06185 0.24196 -0.36794 181 2S -0.06238 0.08101 -0.10558 0.12330 -0.15560 182 20 H 1S -0.61583 0.20854 0.15950 0.02711 0.07697 183 2S -0.21392 0.14105 -0.14117 -0.11770 -0.02201 184 21 H 1S -0.61587 0.20853 0.15950 0.02710 0.07696 185 2S -0.21398 0.14103 -0.14119 -0.11770 -0.02199 186 22 O 1S -0.02979 0.01252 -0.03347 -0.02280 -0.01666 187 2S -0.56645 0.10296 -0.45311 -0.40085 -0.23928 188 2PX -0.03704 -0.00252 0.00380 0.01007 -0.00922 189 2PY 0.05045 -0.01314 -0.10434 -0.09226 -0.05937 190 2PZ 0.00519 -0.00252 0.00876 0.02473 -0.02129 191 3S 2.13862 -0.54309 2.10047 1.69608 1.08394 192 3PX 0.03025 0.01474 0.09153 -0.02145 0.15285 193 3PY -0.58210 0.15187 -0.53732 -0.41604 -0.27175 194 3PZ 0.10560 -0.02163 0.03587 0.03238 0.03006 195 4XX -0.06852 0.22585 -0.14712 0.05486 0.02451 196 4YY -0.17379 0.00139 -0.17054 -0.17718 -0.08450 197 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05195 198 4XY 0.03447 -0.06230 0.00025 0.03578 0.00361 199 4XZ -0.02902 -0.48628 0.25449 -0.13418 -0.10425 200 4YZ -0.00434 -0.02170 0.04287 0.01978 -0.09504 201 23 O 1S -0.02978 0.01252 -0.03347 -0.02280 -0.01666 202 2S -0.56631 0.10299 -0.45310 -0.40084 -0.23928 203 2PX -0.03703 -0.00252 0.00380 0.01007 -0.00922 204 2PY -0.05043 0.01314 0.10434 0.09227 0.05939 205 2PZ 0.00518 -0.00252 0.00876 0.02473 -0.02129 206 3S 2.13809 -0.54318 2.10039 1.69605 1.08402 207 3PX 0.03019 0.01473 0.09154 -0.02145 0.15285 208 3PY 0.58196 -0.15189 0.53730 0.41603 0.27175 209 3PZ 0.10563 -0.02163 0.03587 0.03239 0.03006 210 4XX -0.06849 0.22585 -0.14712 0.05486 0.02452 211 4YY -0.17374 0.00140 -0.17053 -0.17717 -0.08451 212 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05195 213 4XY -0.03449 0.06230 -0.00025 -0.03579 -0.00361 214 4XZ -0.02903 -0.48628 0.25449 -0.13418 -0.10425 215 4YZ 0.00436 0.02171 -0.04287 -0.01977 0.09503 161 162 163 164 165 V V V V V Eigenvalues -- 1.98965 2.03350 2.05074 2.06064 2.07008 1 1 C 1S 0.03562 -0.06186 0.01641 0.01277 -0.01191 2 2S 0.24767 -0.67218 0.24139 0.41807 -0.15642 3 2PX 0.03353 -0.04995 0.03184 0.02428 0.02934 4 2PY -0.02123 -0.03334 -0.01714 0.05901 -0.04970 5 2PZ -0.04436 0.04817 -0.05658 -0.04651 -0.02012 6 3S -1.05189 2.76233 -1.16102 -1.37627 0.70308 7 3PX -0.20081 0.73214 -0.08940 -0.03271 -0.06048 8 3PY -0.60076 2.02411 -0.65016 -0.70596 0.05872 9 3PZ 0.33161 -0.81757 -0.11334 0.05104 -0.08916 10 4XX -0.03681 0.16678 -0.04364 -0.01499 -0.07231 11 4YY 0.14875 -0.40999 0.03804 0.05156 0.21074 12 4ZZ -0.07428 0.19335 -0.01237 -0.06965 -0.10671 13 4XY -0.07429 0.03890 -0.07019 -0.05854 -0.03878 14 4XZ 0.05813 -0.16792 0.06933 0.08622 0.12304 15 4YZ -0.00994 0.09393 -0.13302 -0.04614 -0.08109 16 2 C 1S -0.00778 0.01435 0.00830 0.00037 -0.00222 17 2S 0.06944 0.08705 0.25302 0.09250 0.07142 18 2PX -0.09276 0.15971 -0.09498 -0.08704 -0.06112 19 2PY 0.00952 0.12856 0.06647 -0.03478 -0.06192 20 2PZ 0.05420 -0.07820 0.09153 0.08099 0.05150 21 3S 0.73620 -2.94025 0.10183 0.29361 -0.24947 22 3PX -0.24857 1.07729 -0.00014 -0.14766 0.25233 23 3PY 0.02828 -0.86220 -0.08249 0.08645 0.01347 24 3PZ 0.09894 -0.78790 -0.03275 0.00644 -0.27477 25 4XX 0.01654 -0.07430 0.10393 0.11448 0.01466 26 4YY 0.03835 0.01659 -0.14693 0.01135 0.00650 27 4ZZ -0.03617 -0.02367 0.07517 -0.12748 -0.00793 28 4XY -0.07677 0.25706 -0.02049 -0.01889 -0.12991 29 4XZ 0.01875 -0.06500 0.13976 0.18105 0.03265 30 4YZ -0.03549 -0.03133 -0.04520 -0.01224 0.03516 31 3 C 1S 0.00778 -0.01435 0.00830 0.00037 0.00222 32 2S -0.06942 -0.08705 0.25303 0.09250 -0.07142 33 2PX 0.09275 -0.15971 -0.09498 -0.08705 0.06113 34 2PY 0.00952 0.12856 -0.06647 0.03478 -0.06192 35 2PZ -0.05419 0.07820 0.09153 0.08099 -0.05150 36 3S -0.73621 2.94027 0.10180 0.29365 0.24947 37 3PX 0.24858 -1.07730 -0.00014 -0.14768 -0.25233 38 3PY 0.02828 -0.86220 0.08250 -0.08645 0.01348 39 3PZ -0.09894 0.78791 -0.03275 0.00645 0.27477 40 4XX -0.01653 0.07430 0.10393 0.11448 -0.01467 41 4YY -0.03835 -0.01659 -0.14693 0.01135 -0.00650 42 4ZZ 0.03617 0.02367 0.07517 -0.12748 0.00793 43 4XY -0.07677 0.25707 0.02048 0.01890 -0.12991 44 4XZ -0.01874 0.06499 0.13976 0.18105 -0.03266 45 4YZ -0.03549 -0.03133 0.04520 0.01224 0.03516 46 4 C 1S -0.03562 0.06187 0.01641 0.01277 0.01191 47 2S -0.24765 0.67218 0.24138 0.41808 0.15641 48 2PX -0.03352 0.04995 0.03184 0.02428 -0.02934 49 2PY -0.02123 -0.03334 0.01714 -0.05901 -0.04970 50 2PZ 0.04436 -0.04817 -0.05658 -0.04651 0.02012 51 3S 1.05184 -2.76235 -1.16101 -1.37631 -0.70306 52 3PX 0.20079 -0.73214 -0.08940 -0.03272 0.06048 53 3PY -0.60072 2.02413 0.65015 0.70599 0.05870 54 3PZ -0.33161 0.81758 -0.11335 0.05105 0.08916 55 4XX 0.03682 -0.16678 -0.04363 -0.01500 0.07231 56 4YY -0.14875 0.41000 0.03803 0.05156 -0.21074 57 4ZZ 0.07428 -0.19335 -0.01236 -0.06965 0.10671 58 4XY -0.07429 0.03890 0.07020 0.05854 -0.03878 59 4XZ -0.05811 0.16792 0.06933 0.08623 -0.12305 60 4YZ -0.00994 0.09392 0.13302 0.04614 -0.08108 61 5 H 1S -0.08829 0.48643 -0.05879 -0.04818 -0.20554 62 2S -0.18137 0.47323 -0.11154 -0.08850 0.00329 63 6 H 1S -0.03044 0.04006 0.05137 0.07200 -0.09057 64 2S 0.01478 -0.37743 -0.06482 -0.00558 -0.06699 65 7 H 1S 0.03045 -0.04006 0.05137 0.07200 0.09057 66 2S -0.01478 0.37743 -0.06483 -0.00557 0.06699 67 8 H 1S 0.08829 -0.48643 -0.05879 -0.04819 0.20555 68 2S 0.18136 -0.47323 -0.11154 -0.08851 -0.00329 69 9 C 1S 0.00000 0.00000 -0.05874 -0.03867 0.00000 70 2S -0.00001 0.00000 -0.55213 -0.41977 0.00001 71 2PX 0.00000 0.00000 0.00501 -0.02741 0.00000 72 2PY -0.05469 0.26077 0.00000 0.00000 -0.02378 73 2PZ 0.00000 0.00000 -0.00863 0.05092 0.00000 74 3S 0.00005 -0.00001 2.41371 1.90517 -0.00003 75 3PX 0.00002 0.00000 0.57852 0.43092 0.00000 76 3PY -0.15654 0.18345 0.00000 0.00000 0.09619 77 3PZ -0.00002 0.00000 -0.71159 -0.76595 0.00001 78 4XX 0.00000 0.00000 -0.12724 0.08721 0.00000 79 4YY -0.00001 0.00000 -0.12837 -0.25360 0.00000 80 4ZZ 0.00001 0.00000 0.24648 0.18614 0.00000 81 4XY -0.21022 0.18769 0.00000 0.00000 -0.04672 82 4XZ 0.00000 0.00000 -0.03885 -0.02484 0.00000 83 4YZ 0.08245 -0.10885 0.00000 0.00000 0.01663 84 10 H 1S -0.00001 0.00000 0.00287 -0.22551 0.00000 85 2S 0.00001 0.00000 -0.06764 0.27542 0.00000 86 11 H 1S -0.00001 0.00000 -0.25848 -0.20214 0.00000 87 2S 0.00000 0.00000 -0.09087 -0.00996 0.00000 88 12 C 1S 0.04392 -0.03516 -0.00676 -0.01484 -0.01323 89 2S 0.63813 -0.36650 0.26792 0.13972 -0.21097 90 2PX 0.04423 -0.02070 -0.05815 -0.01169 -0.02281 91 2PY -0.09062 -0.04986 -0.09361 -0.16182 -0.08492 92 2PZ 0.05336 -0.02453 0.11544 0.08828 -0.07700 93 3S -3.60335 2.19720 0.37083 0.20737 0.74852 94 3PX 0.78509 -0.09710 0.04786 0.08791 0.31537 95 3PY 0.84036 -0.29969 0.33400 0.46182 -0.22098 96 3PZ -0.81249 0.89329 -0.12350 -0.11504 0.33972 97 4XX -0.15712 -0.16612 0.13319 0.25113 -0.25948 98 4YY 0.02753 0.03256 -0.22828 -0.26278 0.06088 99 4ZZ 0.06957 0.15466 0.08167 0.01431 0.21282 100 4XY -0.23210 -0.07248 -0.03257 -0.14354 -0.03566 101 4XZ 0.18079 0.22978 0.05469 -0.00266 -0.05571 102 4YZ 0.00023 0.04073 0.04294 0.09410 0.14275 103 13 C 1S -0.04392 0.03516 -0.00676 -0.01484 0.01323 104 2S -0.63813 0.36650 0.26792 0.13973 0.21096 105 2PX -0.04423 0.02070 -0.05815 -0.01169 0.02281 106 2PY -0.09063 -0.04986 0.09361 0.16182 -0.08493 107 2PZ -0.05336 0.02453 0.11545 0.08828 0.07700 108 3S 3.60336 -2.19716 0.37084 0.20733 -0.74852 109 3PX -0.78506 0.09710 0.04784 0.08791 -0.31538 110 3PY 0.84036 -0.29970 -0.33401 -0.46183 -0.22097 111 3PZ 0.81247 -0.89328 -0.12349 -0.11506 -0.33971 112 4XX 0.15710 0.16612 0.13320 0.25114 0.25948 113 4YY -0.02751 -0.03256 -0.22828 -0.26278 -0.06088 114 4ZZ -0.06957 -0.15466 0.08166 0.01431 -0.21282 115 4XY -0.23211 -0.07249 0.03257 0.14353 -0.03566 116 4XZ -0.18079 -0.22978 0.05470 -0.00266 0.05571 117 4YZ 0.00025 0.04073 -0.04294 -0.09410 0.14275 118 14 C 1S -0.00140 -0.01892 -0.00335 0.01230 0.00253 119 2S 0.22623 -0.32287 0.04926 -0.13277 0.07094 120 2PX -0.01155 -0.05721 -0.06089 0.01129 0.05392 121 2PY -0.14481 -0.07812 0.05574 -0.21881 -0.00989 122 2PZ -0.01907 0.03178 0.07150 0.02094 0.08983 123 3S -1.40564 1.83842 0.11994 -0.54498 -0.17465 124 3PX -0.60599 0.56627 -0.48162 0.15431 0.23288 125 3PY -1.64239 0.18927 -0.21197 0.67873 0.22980 126 3PZ 0.14861 0.15649 0.42220 0.01590 0.41547 127 4XX -0.21926 0.03788 -0.13976 -0.15852 -0.09953 128 4YY 0.46191 0.15144 -0.01731 0.13234 0.00599 129 4ZZ -0.32728 -0.16359 0.14139 0.02341 0.11508 130 4XY 0.03263 0.07595 0.00529 0.03023 0.03989 131 4XZ -0.01820 -0.00588 -0.07424 0.07956 0.08080 132 4YZ 0.07568 0.04457 0.02878 0.00853 0.02094 133 15 C 1S -0.01707 0.00398 -0.01177 0.00756 0.00040 134 2S -0.25918 0.11585 -0.33213 0.30597 0.07152 135 2PX 0.01899 0.02840 -0.12093 0.07926 0.04230 136 2PY -0.13760 0.00927 -0.14707 0.18997 -0.03034 137 2PZ -0.01208 0.01168 0.05745 -0.04834 -0.01836 138 3S 2.12703 -0.72104 -0.20398 0.02649 -0.28603 139 3PX 0.47244 -0.55555 0.05883 -0.15134 -0.35005 140 3PY 1.05285 -0.22938 0.52022 -0.57321 -0.10245 141 3PZ -0.21362 0.14907 -0.06627 0.02083 -0.20981 142 4XX 0.17030 -0.14030 -0.27522 0.16651 -0.40643 143 4YY -0.04274 0.01041 0.30829 -0.36570 -0.01364 144 4ZZ -0.10125 0.10887 -0.11378 0.29963 0.41414 145 4XY 0.14678 0.02507 0.16812 -0.08412 -0.05368 146 4XZ -0.19031 -0.10085 -0.07859 -0.12140 -0.08315 147 4YZ -0.03065 -0.00056 -0.03103 0.12074 -0.12148 148 16 C 1S 0.01707 -0.00398 -0.01177 0.00756 -0.00040 149 2S 0.25919 -0.11585 -0.33213 0.30597 -0.07152 150 2PX -0.01899 -0.02840 -0.12093 0.07925 -0.04230 151 2PY -0.13760 0.00927 0.14707 -0.18997 -0.03034 152 2PZ 0.01208 -0.01168 0.05745 -0.04834 0.01836 153 3S -2.12708 0.72103 -0.20398 0.02650 0.28604 154 3PX -0.47245 0.55555 0.05883 -0.15133 0.35005 155 3PY 1.05285 -0.22940 -0.52022 0.57321 -0.10244 156 3PZ 0.21364 -0.14907 -0.06626 0.02083 0.20981 157 4XX -0.17030 0.14029 -0.27521 0.16652 0.40643 158 4YY 0.04274 -0.01041 0.30830 -0.36571 0.01363 159 4ZZ 0.10126 -0.10888 -0.11378 0.29963 -0.41414 160 4XY 0.14678 0.02507 -0.16812 0.08412 -0.05368 161 4XZ 0.19032 0.10085 -0.07859 -0.12140 0.08315 162 4YZ -0.03065 -0.00056 0.03103 -0.12074 -0.12148 163 17 C 1S 0.00140 0.01892 -0.00335 0.01230 -0.00253 164 2S -0.22622 0.32287 0.04926 -0.13276 -0.07094 165 2PX 0.01155 0.05721 -0.06089 0.01130 -0.05392 166 2PY -0.14482 -0.07812 -0.05574 0.21881 -0.00989 167 2PZ 0.01907 -0.03178 0.07150 0.02094 -0.08984 168 3S 1.40564 -1.83844 0.11998 -0.54500 0.17464 169 3PX 0.60595 -0.56629 -0.48161 0.15430 -0.23286 170 3PY -1.64245 0.18929 0.21198 -0.67873 0.22979 171 3PZ -0.14859 -0.15648 0.42219 0.01590 -0.41547 172 4XX 0.21926 -0.03788 -0.13976 -0.15852 0.09953 173 4YY -0.46192 -0.15144 -0.01731 0.13235 -0.00600 174 4ZZ 0.32729 0.16359 0.14139 0.02341 -0.11508 175 4XY 0.03263 0.07595 -0.00529 -0.03022 0.03989 176 4XZ 0.01821 0.00588 -0.07425 0.07956 -0.08080 177 4YZ 0.07568 0.04457 -0.02878 -0.00853 0.02094 178 18 H 1S 0.16651 0.05792 -0.01791 0.01044 -0.05352 179 2S -0.17055 0.09148 -0.15907 -0.19289 0.00952 180 19 H 1S -0.16653 -0.05792 -0.01790 0.01044 0.05353 181 2S 0.17054 -0.09148 -0.15907 -0.19289 -0.00952 182 20 H 1S -0.17093 -0.07751 -0.02523 -0.06260 0.00011 183 2S 0.18262 -0.13471 0.13544 -0.12202 -0.04259 184 21 H 1S 0.17094 0.07751 -0.02523 -0.06260 -0.00011 185 2S -0.18263 0.13471 0.13544 -0.12202 0.04259 186 22 O 1S -0.01697 -0.01031 0.00128 -0.00319 0.00368 187 2S 0.05776 -0.08185 0.08605 -0.28024 0.11993 188 2PX 0.04603 -0.00980 -0.04111 0.01051 -0.03637 189 2PY -0.33444 -0.08219 -0.02037 0.12693 -0.03510 190 2PZ 0.02051 -0.02262 0.05822 -0.01136 -0.07169 191 3S 0.80124 0.53738 -0.26788 0.82741 -0.39185 192 3PX -0.08053 0.12948 0.13222 -0.03242 0.09776 193 3PY -0.02733 -0.17515 0.07471 -0.25125 0.14227 194 3PZ 0.03741 0.09246 -0.16849 0.02094 0.19790 195 4XX 0.13252 -0.03404 0.14013 -0.01168 -0.05273 196 4YY -0.02812 -0.03799 0.03117 -0.07398 -0.01254 197 4ZZ -0.02853 0.04336 -0.14367 -0.02565 0.11594 198 4XY 0.02123 -0.02016 -0.24112 0.12668 -0.13709 199 4XZ -0.04015 0.02959 0.03564 0.07681 0.10286 200 4YZ 0.00274 -0.14296 0.24177 0.02424 -0.28561 201 23 O 1S 0.01697 0.01031 0.00128 -0.00319 -0.00368 202 2S -0.05778 0.08185 0.08605 -0.28024 -0.11993 203 2PX -0.04603 0.00980 -0.04111 0.01051 0.03637 204 2PY -0.33444 -0.08219 0.02037 -0.12692 -0.03510 205 2PZ -0.02051 0.02262 0.05822 -0.01136 0.07169 206 3S -0.80117 -0.53738 -0.26786 0.82741 0.39186 207 3PX 0.08054 -0.12948 0.13222 -0.03242 -0.09776 208 3PY -0.02731 -0.17515 -0.07471 0.25125 0.14228 209 3PZ -0.03741 -0.09246 -0.16849 0.02094 -0.19790 210 4XX -0.13251 0.03404 0.14014 -0.01168 0.05273 211 4YY 0.02811 0.03800 0.03117 -0.07397 0.01254 212 4ZZ 0.02853 -0.04336 -0.14367 -0.02565 -0.11593 213 4XY 0.02122 -0.02015 0.24111 -0.12668 -0.13710 214 4XZ 0.04014 -0.02959 0.03564 0.07681 -0.10287 215 4YZ 0.00275 -0.14296 -0.24177 -0.02424 -0.28560 166 167 168 169 170 V V V V V Eigenvalues -- 2.07442 2.09048 2.11483 2.13015 2.17998 1 1 C 1S 0.00118 0.03710 -0.01408 -0.02893 -0.01805 2 2S -0.17320 0.56535 -0.24318 -0.46913 -0.74344 3 2PX 0.11985 -0.06392 0.00413 0.03450 0.00963 4 2PY -0.10572 0.17285 0.01702 -0.17306 -0.19770 5 2PZ -0.05451 0.01724 0.08427 -0.02327 0.02452 6 3S 0.23189 -2.19240 0.68842 1.66430 1.67658 7 3PX -0.40713 -0.47449 -0.07864 0.47715 0.27717 8 3PY 0.24955 -1.14493 0.52089 1.11126 1.09766 9 3PZ -0.25231 0.28189 0.01593 -0.21695 -0.12856 10 4XX 0.05130 0.11928 0.14815 -0.13396 -0.25986 11 4YY -0.01875 -0.18885 -0.08738 0.13740 0.03287 12 4ZZ -0.02622 0.04476 -0.00578 0.01107 0.33188 13 4XY -0.25093 -0.27990 -0.06237 0.26826 0.19164 14 4XZ -0.10288 -0.06469 0.01682 -0.05247 0.02067 15 4YZ -0.23940 -0.01521 -0.04793 0.07052 0.19660 16 2 C 1S 0.01379 -0.01471 -0.01364 0.00997 0.02524 17 2S 0.27646 -0.12541 -0.44250 0.06588 0.22683 18 2PX 0.03301 -0.03203 0.10353 0.06319 -0.03833 19 2PY 0.17646 0.15100 -0.18389 -0.08850 0.09473 20 2PZ -0.02458 -0.00649 -0.07534 -0.01251 0.06933 21 3S -0.16306 2.10418 0.12927 -1.79089 -0.95533 22 3PX 0.29356 -0.87796 -0.16024 0.72994 0.52276 23 3PY -0.39337 0.59234 0.28303 -0.62256 -0.25388 24 3PZ -0.09973 0.80893 0.16648 -0.62866 -0.34350 25 4XX -0.02694 -0.11162 -0.16944 0.03613 -0.11220 26 4YY -0.26138 0.08658 0.30287 -0.05951 -0.05594 27 4ZZ 0.33272 0.06363 -0.16904 -0.02479 0.23189 28 4XY -0.14547 0.09462 0.04972 0.00798 0.17098 29 4XZ -0.07914 0.05509 -0.11371 -0.11171 0.13962 30 4YZ 0.07262 -0.19585 -0.01514 0.20794 -0.24248 31 3 C 1S 0.01379 0.01471 -0.01364 -0.00997 0.02524 32 2S 0.27646 0.12542 -0.44250 -0.06587 0.22680 33 2PX 0.03301 0.03203 0.10353 -0.06319 -0.03832 34 2PY -0.17645 0.15100 0.18389 -0.08851 -0.09473 35 2PZ -0.02458 0.00649 -0.07535 0.01251 0.06932 36 3S -0.16313 -2.10419 0.12931 1.79090 -0.95518 37 3PX 0.29359 0.87796 -0.16026 -0.72994 0.52269 38 3PY 0.39339 0.59233 -0.28304 -0.62255 0.25382 39 3PZ -0.09976 -0.80894 0.16650 0.62866 -0.34345 40 4XX -0.02694 0.11162 -0.16944 -0.03613 -0.11219 41 4YY -0.26138 -0.08659 0.30287 0.05951 -0.05594 42 4ZZ 0.33272 -0.06363 -0.16904 0.02479 0.23189 43 4XY 0.14548 0.09461 -0.04973 0.00798 -0.17098 44 4XZ -0.07914 -0.05509 -0.11371 0.11171 0.13961 45 4YZ -0.07263 -0.19585 0.01513 0.20793 0.24248 46 4 C 1S 0.00117 -0.03710 -0.01408 0.02893 -0.01805 47 2S -0.17321 -0.56535 -0.24318 0.46914 -0.74342 48 2PX 0.11985 0.06392 0.00413 -0.03450 0.00962 49 2PY 0.10573 0.17285 -0.01702 -0.17306 0.19770 50 2PZ -0.05451 -0.01724 0.08427 0.02327 0.02452 51 3S 0.23197 2.19241 0.68839 -1.66433 1.67647 52 3PX -0.40712 0.47450 -0.07864 -0.47715 0.27717 53 3PY -0.24958 -1.14492 -0.52087 1.11129 -1.09762 54 3PZ -0.25232 -0.28188 0.01593 0.21694 -0.12855 55 4XX 0.05130 -0.11928 0.14815 0.13396 -0.25986 56 4YY -0.01875 0.18885 -0.08738 -0.13740 0.03286 57 4ZZ -0.02623 -0.04476 -0.00578 -0.01107 0.33188 58 4XY 0.25092 -0.27991 0.06237 0.26827 -0.19164 59 4XZ -0.10287 0.06469 0.01682 0.05247 0.02065 60 4YZ 0.23940 -0.01522 0.04793 0.07052 -0.19659 61 5 H 1S -0.01811 0.13827 0.08945 -0.02858 0.04817 62 2S 0.11327 -0.34067 0.14144 0.30169 0.30353 63 6 H 1S -0.18842 0.22401 0.02663 -0.19978 0.19119 64 2S -0.11015 0.24937 0.14106 -0.22958 -0.24017 65 7 H 1S -0.18842 -0.22401 0.02664 0.19978 0.19119 66 2S -0.11016 -0.24937 0.14106 0.22958 -0.24014 67 8 H 1S -0.01811 -0.13827 0.08945 0.02858 0.04817 68 2S 0.11328 0.34066 0.14144 -0.30169 0.30352 69 9 C 1S -0.02170 0.00000 0.01672 0.00000 0.02210 70 2S 0.03417 0.00000 0.26519 0.00000 -0.42976 71 2PX 0.03418 0.00000 0.06901 0.00000 -0.03818 72 2PY 0.00000 -0.05991 0.00000 0.14060 0.00000 73 2PZ -0.06166 0.00000 0.02797 0.00000 0.29882 74 3S -0.08681 0.00000 -1.26278 0.00001 -1.20530 75 3PX 1.09774 -0.00001 -0.81835 0.00001 -0.67723 76 3PY -0.00001 -0.32730 0.00000 0.10466 0.00001 77 3PZ 0.13581 0.00000 0.49046 0.00000 -0.34231 78 4XX -0.45952 0.00000 0.30386 0.00000 -0.23654 79 4YY 0.28602 0.00000 -0.07862 0.00000 0.11960 80 4ZZ 0.10005 0.00000 -0.22840 0.00000 0.20180 81 4XY 0.00000 -0.35873 0.00000 0.40581 0.00000 82 4XZ 0.24014 0.00000 0.12315 0.00000 -0.20622 83 4YZ 0.00000 -0.22941 0.00000 0.26683 0.00000 84 10 H 1S 0.59076 0.00000 -0.15397 0.00000 -0.00121 85 2S 0.25525 0.00000 -0.28780 0.00000 -0.04434 86 11 H 1S -0.29782 0.00000 0.08085 0.00000 0.32361 87 2S -0.17641 0.00000 0.19442 0.00000 0.32483 88 12 C 1S 0.00396 0.01163 0.00350 -0.00557 0.00982 89 2S 0.11472 0.01232 0.52861 -0.10917 0.36827 90 2PX -0.01814 0.10582 -0.00064 0.14697 -0.03939 91 2PY -0.07032 -0.09248 -0.22815 -0.15002 -0.05964 92 2PZ -0.02535 -0.03979 0.04846 -0.05220 0.04222 93 3S -0.25490 -1.01962 0.16419 -0.53152 -0.39791 94 3PX 0.20493 0.08516 0.01323 0.02523 0.04707 95 3PY 0.32888 0.24958 0.98926 0.37533 0.34773 96 3PZ -0.33677 -0.35270 -0.41466 0.00877 -0.40643 97 4XX -0.07896 -0.02893 -0.10100 -0.00626 0.01193 98 4YY -0.02450 0.07909 -0.24044 0.12876 -0.03113 99 4ZZ 0.10736 -0.05949 0.31879 -0.11217 -0.02790 100 4XY -0.07833 -0.12772 -0.05648 -0.12529 -0.00781 101 4XZ -0.13027 -0.16158 -0.21773 -0.02251 -0.26856 102 4YZ -0.14117 -0.02019 -0.12254 -0.00180 -0.04052 103 13 C 1S 0.00396 -0.01163 0.00350 0.00557 0.00982 104 2S 0.11472 -0.01233 0.52863 0.10916 0.36831 105 2PX -0.01814 -0.10583 -0.00064 -0.14697 -0.03939 106 2PY 0.07032 -0.09249 0.22814 -0.15002 0.05964 107 2PZ -0.02535 0.03979 0.04846 0.05220 0.04222 108 3S -0.25489 1.01961 0.16413 0.53152 -0.39809 109 3PX 0.20494 -0.08516 0.01324 -0.02523 0.04709 110 3PY -0.32888 0.24962 -0.98927 0.37534 -0.34780 111 3PZ -0.33677 0.35271 -0.41469 -0.00876 -0.40651 112 4XX -0.07896 0.02893 -0.10100 0.00626 0.01193 113 4YY -0.02450 -0.07908 -0.24044 -0.12875 -0.03113 114 4ZZ 0.10736 0.05948 0.31880 0.11216 -0.02791 115 4XY 0.07833 -0.12772 0.05648 -0.12529 0.00780 116 4XZ -0.13026 0.16159 -0.21773 0.02251 -0.26857 117 4YZ 0.14117 -0.02020 0.12254 -0.00180 0.04051 118 14 C 1S 0.00587 0.01299 -0.00330 0.00304 -0.00592 119 2S -0.20674 0.34249 -0.05941 0.34531 -0.05725 120 2PX 0.02296 0.01211 -0.00026 -0.01542 -0.05082 121 2PY -0.11329 0.12726 -0.09790 0.15475 -0.06941 122 2PZ -0.05567 0.00112 -0.03720 -0.00144 0.04255 123 3S -0.10060 -0.52606 -0.41160 0.15239 0.12201 124 3PX 0.06684 -0.28489 -0.61459 -0.13928 -0.09276 125 3PY 1.22828 -0.89956 1.16896 -1.50314 0.69117 126 3PZ 0.16119 0.01100 0.51485 -0.09770 0.12301 127 4XX 0.04704 -0.09436 -0.01199 -0.10360 0.03174 128 4YY -0.01993 0.02112 0.05674 0.10297 0.06553 129 4ZZ 0.04332 0.08836 -0.04452 -0.03313 -0.11231 130 4XY 0.01850 -0.01552 0.01401 0.01112 -0.02033 131 4XZ 0.07742 0.30035 0.05187 0.27898 0.06690 132 4YZ 0.00808 -0.03324 0.00764 -0.02321 0.00199 133 15 C 1S 0.00656 0.00068 0.00182 -0.00059 0.00270 134 2S 0.10441 0.13078 -0.06177 0.11818 0.13127 135 2PX 0.02487 0.10062 -0.03191 0.10697 0.01110 136 2PY 0.07636 -0.14927 0.00310 -0.13534 0.07865 137 2PZ -0.02969 -0.08854 0.01169 -0.08584 0.01817 138 3S -0.26161 0.37182 -0.56448 0.78982 -0.26495 139 3PX -0.21683 0.06823 -0.17057 0.19968 -0.20664 140 3PY -0.28630 0.36277 0.07793 0.61301 -0.17331 141 3PZ 0.15429 0.03339 0.18663 -0.02034 0.15596 142 4XX 0.04336 0.05971 0.00917 0.11565 0.09158 143 4YY -0.06520 -0.10193 0.07737 -0.09949 -0.08239 144 4ZZ 0.04361 0.02863 -0.09296 -0.02928 -0.01971 145 4XY -0.10002 0.06894 -0.04640 0.09891 0.02784 146 4XZ 0.05102 0.11866 0.05310 0.13817 0.01672 147 4YZ 0.09344 -0.06545 0.02571 -0.04406 -0.05086 148 16 C 1S 0.00656 -0.00068 0.00182 0.00059 0.00270 149 2S 0.10440 -0.13079 -0.06178 -0.11818 0.13125 150 2PX 0.02487 -0.10062 -0.03191 -0.10697 0.01109 151 2PY -0.07637 -0.14927 -0.00311 -0.13534 -0.07865 152 2PZ -0.02969 0.08854 0.01169 0.08584 0.01817 153 3S -0.26160 -0.37181 -0.56444 -0.78982 -0.26480 154 3PX -0.21682 -0.06822 -0.17054 -0.19967 -0.20658 155 3PY 0.28629 0.36277 -0.07794 0.61301 0.17327 156 3PZ 0.15429 -0.03339 0.18662 0.02034 0.15591 157 4XX 0.04336 -0.05971 0.00917 -0.11565 0.09157 158 4YY -0.06520 0.10193 0.07737 0.09949 -0.08239 159 4ZZ 0.04362 -0.02863 -0.09297 0.02928 -0.01970 160 4XY 0.10002 0.06893 0.04640 0.09891 -0.02784 161 4XZ 0.05101 -0.11866 0.05310 -0.13817 0.01671 162 4YZ -0.09344 -0.06545 -0.02572 -0.04406 0.05087 163 17 C 1S 0.00587 -0.01299 -0.00330 -0.00304 -0.00592 164 2S -0.20675 -0.34249 -0.05941 -0.34531 -0.05724 165 2PX 0.02296 -0.01211 -0.00026 0.01542 -0.05082 166 2PY 0.11329 0.12725 0.09791 0.15474 0.06941 167 2PZ -0.05567 -0.00112 -0.03720 0.00144 0.04255 168 3S -0.10059 0.52607 -0.41166 -0.15239 0.12192 169 3PX 0.06683 0.28489 -0.61461 0.13927 -0.09276 170 3PY -1.22827 -0.89952 -1.16895 -1.50312 -0.69108 171 3PZ 0.16120 -0.01102 0.51485 0.09769 0.12299 172 4XX 0.04704 0.09436 -0.01198 0.10360 0.03173 173 4YY -0.01993 -0.02112 0.05673 -0.10297 0.06553 174 4ZZ 0.04332 -0.08836 -0.04452 0.03313 -0.11231 175 4XY -0.01850 -0.01552 -0.01401 0.01112 0.02033 176 4XZ 0.07741 -0.30036 0.05185 -0.27898 0.06689 177 4YZ -0.00808 -0.03323 -0.00764 -0.02321 -0.00200 178 18 H 1S -0.20712 -0.00553 -0.36107 0.03189 -0.18192 179 2S -0.11592 -0.07577 -0.16769 0.00192 -0.04825 180 19 H 1S -0.20713 0.00554 -0.36108 -0.03189 -0.18193 181 2S -0.11592 0.07578 -0.16770 -0.00191 -0.04827 182 20 H 1S 0.04922 0.01603 0.04897 0.03138 -0.07150 183 2S -0.13304 0.04165 -0.04458 0.09187 -0.08484 184 21 H 1S 0.04922 -0.01603 0.04898 -0.03138 -0.07150 185 2S -0.13304 -0.04164 -0.04457 -0.09187 -0.08483 186 22 O 1S -0.01670 -0.00827 -0.01229 -0.01902 -0.00339 187 2S -0.28624 -0.11209 -0.35211 -0.26463 -0.19463 188 2PX 0.02677 -0.00601 -0.04222 0.01574 -0.02860 189 2PY 0.00296 -0.01747 0.06075 -0.06360 0.05336 190 2PZ 0.00930 0.00038 -0.00164 0.01466 -0.01002 191 3S 1.24074 0.58439 1.28233 1.38518 0.62404 192 3PX -0.00475 -0.00413 0.20591 0.00668 0.09011 193 3PY -0.29879 -0.09558 -0.32831 -0.29359 -0.15581 194 3PZ -0.00080 0.01441 -0.03414 0.00127 0.00317 195 4XX -0.05554 -0.05921 0.00037 -0.09620 -0.00481 196 4YY -0.10948 -0.04596 -0.13907 -0.08430 -0.07399 197 4ZZ 0.02447 0.04701 -0.00707 0.06802 0.01372 198 4XY 0.00868 0.00186 -0.20814 0.07116 -0.09727 199 4XZ -0.00326 0.26788 0.08733 0.25422 0.00567 200 4YZ -0.02905 0.03613 0.05269 0.05330 0.05207 201 23 O 1S -0.01670 0.00827 -0.01229 0.01902 -0.00339 202 2S -0.28625 0.11210 -0.35211 0.26463 -0.19464 203 2PX 0.02677 0.00601 -0.04222 -0.01574 -0.02860 204 2PY -0.00296 -0.01746 -0.06075 -0.06360 -0.05336 205 2PZ 0.00930 -0.00038 -0.00164 -0.01466 -0.01002 206 3S 1.24076 -0.58443 1.28232 -1.38519 0.62408 207 3PX -0.00474 0.00412 0.20592 -0.00668 0.09012 208 3PY 0.29879 -0.09559 0.32831 -0.29359 0.15581 209 3PZ -0.00079 -0.01441 -0.03414 -0.00127 0.00317 210 4XX -0.05554 0.05921 0.00038 0.09620 -0.00481 211 4YY -0.10948 0.04596 -0.13908 0.08430 -0.07399 212 4ZZ 0.02447 -0.04701 -0.00708 -0.06802 0.01372 213 4XY -0.00868 0.00186 0.20814 0.07115 0.09728 214 4XZ -0.00326 -0.26788 0.08732 -0.25423 0.00566 215 4YZ 0.02905 0.03613 -0.05269 0.05330 -0.05208 171 172 173 174 175 V V V V V Eigenvalues -- 2.18849 2.22719 2.25616 2.25653 2.28320 1 1 C 1S -0.01483 0.00361 -0.02098 0.00407 -0.03352 2 2S -0.11844 0.01560 -0.27590 0.44626 -0.61980 3 2PX 0.13930 0.10618 0.04710 0.00795 0.01794 4 2PY 0.04926 0.02712 -0.04518 0.12691 -0.11547 5 2PZ -0.11400 -0.09361 -0.01824 -0.01918 0.03542 6 3S 1.50765 0.75598 1.19588 -1.14884 1.36111 7 3PX -0.14283 0.05691 0.27995 -0.28082 0.03165 8 3PY 0.54054 0.52927 0.86344 -0.94522 0.78751 9 3PZ -0.15564 -0.01322 0.09867 -0.01267 -0.17788 10 4XX -0.03867 0.07376 0.36996 -0.22237 0.27569 11 4YY -0.03168 -0.10544 0.04923 0.02534 -0.00054 12 4ZZ 0.13783 0.07434 -0.39900 0.09800 -0.23376 13 4XY -0.10946 -0.04073 -0.04597 -0.02736 0.06001 14 4XZ 0.33060 0.22045 -0.10663 0.01860 0.00039 15 4YZ 0.00965 0.09795 0.32165 -0.19665 0.05348 16 2 C 1S 0.02253 0.02643 0.02103 -0.01346 -0.00602 17 2S 0.47230 0.46190 0.20445 -0.03971 -0.14745 18 2PX -0.14744 -0.11329 -0.00225 -0.03192 0.04240 19 2PY -0.01639 0.00504 0.15857 -0.08539 0.02242 20 2PZ 0.11916 0.05380 -0.05996 0.05045 -0.08393 21 3S -2.14903 -2.11736 -0.68141 0.54802 -0.31479 22 3PX 1.04014 0.75601 0.32100 -0.24159 -0.10433 23 3PY -0.91325 -0.94794 -0.24930 0.20420 0.04884 24 3PZ -0.74670 -0.56943 -0.39633 0.24304 -0.30562 25 4XX -0.14339 -0.02488 0.36804 -0.17427 0.28606 26 4YY 0.01879 0.00460 -0.16991 0.06339 0.01730 27 4ZZ 0.13739 0.01129 -0.14789 0.05709 -0.30469 28 4XY -0.03728 -0.06726 0.02322 -0.08514 -0.32172 29 4XZ 0.21797 0.16332 0.22198 -0.03250 -0.00131 30 4YZ 0.06857 -0.07489 0.12449 -0.02529 -0.39405 31 3 C 1S -0.02253 -0.02643 0.02103 -0.01346 0.00602 32 2S -0.47231 -0.46190 0.20446 -0.03971 0.14744 33 2PX 0.14744 0.11329 -0.00225 -0.03192 -0.04240 34 2PY -0.01638 0.00503 -0.15857 0.08539 0.02243 35 2PZ -0.11916 -0.05380 -0.05996 0.05044 0.08393 36 3S 2.14908 2.11738 -0.68145 0.54802 0.31484 37 3PX -1.04017 -0.75602 0.32102 -0.24160 0.10431 38 3PY -0.91325 -0.94794 0.24932 -0.20420 0.04884 39 3PZ 0.74672 0.56943 -0.39634 0.24304 0.30563 40 4XX 0.14340 0.02488 0.36803 -0.17426 -0.28606 41 4YY -0.01879 -0.00461 -0.16991 0.06339 -0.01730 42 4ZZ -0.13740 -0.01129 -0.14788 0.05709 0.30469 43 4XY -0.03727 -0.06725 -0.02322 0.08514 -0.32172 44 4XZ -0.21798 -0.16332 0.22199 -0.03250 0.00130 45 4YZ 0.06856 -0.07490 -0.12450 0.02530 -0.39405 46 4 C 1S 0.01483 -0.00361 -0.02098 0.00407 0.03352 47 2S 0.11847 -0.01558 -0.27590 0.44625 0.61982 48 2PX -0.13930 -0.10618 0.04710 0.00795 -0.01794 49 2PY 0.04925 0.02712 0.04517 -0.12691 -0.11548 50 2PZ 0.11400 0.09361 -0.01824 -0.01918 -0.03542 51 3S -1.50774 -0.75603 1.19588 -1.14882 -1.36121 52 3PX 0.14281 -0.05691 0.27994 -0.28082 -0.03166 53 3PY 0.54060 0.52930 -0.86344 0.94520 0.78756 54 3PZ 0.15565 0.01322 0.09868 -0.01268 0.17788 55 4XX 0.03869 -0.07376 0.36996 -0.22237 -0.27569 56 4YY 0.03167 0.10545 0.04923 0.02534 0.00054 57 4ZZ -0.13785 -0.07435 -0.39899 0.09799 0.23377 58 4XY -0.10945 -0.04073 0.04597 0.02736 0.06001 59 4XZ -0.33060 -0.22045 -0.10662 0.01860 -0.00039 60 4YZ 0.00965 0.09795 -0.32166 0.19665 0.05349 61 5 H 1S 0.01686 0.15346 0.11553 -0.14648 0.01786 62 2S 0.06956 0.08344 0.20068 -0.23411 0.19490 63 6 H 1S -0.05263 0.00984 -0.00202 -0.00365 0.02493 64 2S -0.41406 -0.31863 -0.15457 0.10113 -0.00036 65 7 H 1S 0.05261 -0.00984 -0.00202 -0.00365 -0.02494 66 2S 0.41407 0.31863 -0.15458 0.10114 0.00037 67 8 H 1S -0.01686 -0.15346 0.11553 -0.14648 -0.01786 68 2S -0.06957 -0.08344 0.20067 -0.23410 -0.19491 69 9 C 1S 0.00000 0.00000 0.02733 -0.02304 0.00000 70 2S 0.00001 0.00000 -0.25770 0.01102 0.00000 71 2PX 0.00000 0.00000 -0.08496 0.04423 0.00000 72 2PY 0.06177 0.08284 0.00000 0.00000 0.07226 73 2PZ -0.00001 0.00000 0.16568 -0.09543 0.00000 74 3S 0.00002 0.00002 -1.01016 1.37937 0.00004 75 3PX 0.00002 0.00001 -0.15434 0.36890 0.00001 76 3PY 0.25242 0.04132 0.00000 0.00000 0.20040 77 3PZ 0.00001 -0.00001 0.38355 -0.30686 -0.00001 78 4XX 0.00000 0.00000 0.07465 0.12225 -0.00001 79 4YY 0.00000 0.00000 0.15160 -0.25651 0.00000 80 4ZZ -0.00001 0.00000 -0.15221 0.12291 0.00001 81 4XY 0.11474 0.13272 0.00000 0.00000 -0.09854 82 4XZ 0.00000 0.00000 -0.04754 0.11181 0.00000 83 4YZ 0.03341 0.09814 0.00000 0.00000 0.04587 84 10 H 1S 0.00000 0.00000 0.04226 -0.06270 0.00000 85 2S 0.00000 0.00000 -0.06034 0.01877 0.00000 86 11 H 1S -0.00001 0.00000 0.09542 -0.23998 0.00000 87 2S -0.00001 0.00000 -0.11541 -0.00854 0.00000 88 12 C 1S -0.02106 -0.00613 -0.00630 -0.01993 -0.01956 89 2S -0.49771 -0.28159 0.02940 -0.12516 -0.45998 90 2PX -0.02197 0.05254 -0.04499 -0.06142 -0.02610 91 2PY -0.04342 -0.06009 -0.05189 0.06645 -0.08230 92 2PZ -0.07380 -0.06299 -0.00445 0.00134 -0.08377 93 3S 2.29262 1.74354 0.54588 0.76140 2.05716 94 3PX -0.03273 -1.03035 -0.07063 -0.23829 0.13933 95 3PY -0.96675 -0.76791 0.44189 0.08671 -1.35510 96 3PZ 0.88753 1.04643 -0.09643 0.18866 0.62774 97 4XX -0.14514 0.32674 0.09877 0.23293 0.06316 98 4YY 0.04128 0.05025 -0.04888 -0.02165 0.07960 99 4ZZ 0.20419 -0.30013 -0.06077 -0.22894 -0.03981 100 4XY -0.18175 0.01254 -0.05195 -0.20248 0.07360 101 4XZ 0.12753 0.26193 -0.04131 0.10045 0.15324 102 4YZ -0.17025 -0.07064 -0.07024 -0.03780 0.21446 103 13 C 1S 0.02106 0.00613 -0.00630 -0.01993 0.01956 104 2S 0.49768 0.28157 0.02940 -0.12516 0.45996 105 2PX 0.02197 -0.05254 -0.04499 -0.06142 0.02610 106 2PY -0.04342 -0.06009 0.05189 -0.06645 -0.08231 107 2PZ 0.07380 0.06299 -0.00445 0.00134 0.08377 108 3S -2.29257 -1.74351 0.54587 0.76142 -2.05711 109 3PX 0.03272 1.03034 -0.07064 -0.23829 -0.13935 110 3PY -0.96675 -0.76791 -0.44188 -0.08668 -1.35509 111 3PZ -0.88751 -1.04642 -0.09643 0.18867 -0.62772 112 4XX 0.14513 -0.32674 0.09877 0.23294 -0.06315 113 4YY -0.04128 -0.05025 -0.04888 -0.02165 -0.07959 114 4ZZ -0.20418 0.30012 -0.06077 -0.22895 0.03980 115 4XY -0.18176 0.01254 0.05195 0.20248 0.07361 116 4XZ -0.12752 -0.26193 -0.04131 0.10046 -0.15323 117 4YZ -0.17025 -0.07064 0.07025 0.03780 0.21445 118 14 C 1S -0.00193 -0.00908 -0.00923 0.00593 -0.00603 119 2S -0.13650 -0.12215 -0.02451 0.04857 -0.00712 120 2PX -0.00266 -0.03091 -0.01810 -0.06371 0.02640 121 2PY -0.01729 -0.02123 -0.01260 0.01273 0.00518 122 2PZ 0.03936 -0.05155 0.01169 0.07342 0.00804 123 3S 1.02262 1.18785 0.10264 -0.16120 0.63321 124 3PX -0.28363 0.16687 -0.59465 -0.67213 -0.60316 125 3PY 1.35645 1.02319 0.18990 -0.14535 0.95449 126 3PZ 0.40836 0.00990 0.47292 0.42428 0.55862 127 4XX 0.25045 -0.21356 0.19843 0.38600 0.06679 128 4YY -0.12168 0.08401 0.04015 -0.02895 -0.02742 129 4ZZ -0.06955 0.15920 -0.26177 -0.35407 -0.02991 130 4XY -0.04247 0.04953 -0.05015 -0.11853 0.00847 131 4XZ 0.09956 0.02551 0.06091 0.16164 0.12385 132 4YZ -0.03098 -0.00868 0.02815 0.04197 0.02562 133 15 C 1S 0.01600 0.00184 0.00931 0.01309 0.01303 134 2S 0.27668 0.10964 -0.02082 0.03507 0.21876 135 2PX 0.02322 -0.01275 -0.02919 0.00008 0.03710 136 2PY 0.11454 -0.03725 0.00535 0.02825 0.03199 137 2PZ 0.02615 -0.06206 0.04674 0.06154 0.01212 138 3S -2.16579 -1.10073 -0.61034 -0.53782 -1.65398 139 3PX -0.74505 -0.61214 -0.09240 -0.10579 -0.66615 140 3PY -0.62947 -0.43162 0.27952 0.23739 -0.18938 141 3PZ 0.70338 0.20538 0.12423 0.14852 0.61706 142 4XX 0.08897 -0.08375 0.07014 0.14340 0.00704 143 4YY 0.07226 -0.02458 0.03873 0.00630 0.01975 144 4ZZ -0.18635 0.07607 -0.09697 -0.13131 -0.05000 145 4XY 0.05571 -0.21774 -0.01164 -0.00690 0.12596 146 4XZ 0.16072 -0.07150 0.10501 0.13208 0.09958 147 4YZ 0.22766 -0.38918 -0.08257 -0.16668 0.18958 148 16 C 1S -0.01600 -0.00184 0.00931 0.01309 -0.01303 149 2S -0.27669 -0.10964 -0.02082 0.03508 -0.21875 150 2PX -0.02322 0.01275 -0.02919 0.00008 -0.03710 151 2PY 0.11455 -0.03725 -0.00535 -0.02825 0.03199 152 2PZ -0.02615 0.06206 0.04674 0.06154 -0.01212 153 3S 2.16580 1.10072 -0.61035 -0.53785 1.65396 154 3PX 0.74506 0.61214 -0.09240 -0.10581 0.66614 155 3PY -0.62949 -0.43163 -0.27953 -0.23740 -0.18940 156 3PZ -0.70338 -0.20538 0.12423 0.14853 -0.61706 157 4XX -0.08897 0.08375 0.07014 0.14340 -0.00704 158 4YY -0.07226 0.02458 0.03873 0.00631 -0.01976 159 4ZZ 0.18635 -0.07607 -0.09697 -0.13131 0.05000 160 4XY 0.05571 -0.21775 0.01164 0.00690 0.12595 161 4XZ -0.16072 0.07150 0.10502 0.13209 -0.09958 162 4YZ 0.22766 -0.38918 0.08258 0.16668 0.18958 163 17 C 1S 0.00193 0.00908 -0.00923 0.00593 0.00603 164 2S 0.13650 0.12215 -0.02451 0.04857 0.00712 165 2PX 0.00267 0.03091 -0.01810 -0.06372 -0.02641 166 2PY -0.01730 -0.02123 0.01260 -0.01273 0.00518 167 2PZ -0.03937 0.05156 0.01169 0.07342 -0.00803 168 3S -1.02263 -1.18785 0.10263 -0.16118 -0.63321 169 3PX 0.28364 -0.16688 -0.59466 -0.67215 0.60315 170 3PY 1.35649 1.02321 -0.18990 0.14534 0.95452 171 3PZ -0.40835 -0.00990 0.47292 0.42429 -0.55861 172 4XX -0.25045 0.21356 0.19843 0.38600 -0.06679 173 4YY 0.12168 -0.08401 0.04015 -0.02895 0.02742 174 4ZZ 0.06955 -0.15921 -0.26177 -0.35406 0.02991 175 4XY -0.04247 0.04953 0.05015 0.11852 0.00847 176 4XZ -0.09957 -0.02551 0.06091 0.16164 -0.12385 177 4YZ -0.03098 -0.00868 -0.02815 -0.04197 0.02562 178 18 H 1S -0.00316 0.34171 -0.11288 0.10562 0.13713 179 2S 0.15093 0.35324 -0.10079 -0.01940 0.20288 180 19 H 1S 0.00317 -0.34171 -0.11288 0.10563 -0.13712 181 2S -0.15093 -0.35324 -0.10079 -0.01940 -0.20288 182 20 H 1S 0.04158 -0.09644 0.05055 0.01184 0.01168 183 2S -0.27461 -0.15286 0.03647 0.00887 -0.18767 184 21 H 1S -0.04158 0.09644 0.05056 0.01184 -0.01168 185 2S 0.27462 0.15286 0.03647 0.00886 0.18767 186 22 O 1S 0.00873 0.00337 0.00166 -0.00061 0.00456 187 2S 0.12000 0.15200 -0.06050 0.03532 0.11934 188 2PX 0.02785 0.00183 -0.03207 -0.02531 0.02970 189 2PY 0.08093 -0.04649 0.02374 -0.01962 0.01216 190 2PZ -0.03439 0.02281 0.01225 0.03523 -0.01277 191 3S -0.78613 -0.52740 0.12837 -0.08593 -0.57120 192 3PX -0.14609 -0.01204 0.14537 0.15413 -0.17397 193 3PY 0.10929 0.09280 -0.02784 0.02071 0.09449 194 3PZ 0.10467 -0.06163 -0.09610 -0.14081 0.07564 195 4XX -0.00888 -0.09747 -0.07821 -0.17803 -0.04090 196 4YY 0.07758 0.05994 -0.02005 0.00386 0.06572 197 4ZZ -0.04749 0.09765 0.09384 0.18282 0.00467 198 4XY 0.15198 0.05334 -0.10687 -0.14171 0.14443 199 4XZ 0.04323 -0.02884 -0.01414 -0.10686 0.01580 200 4YZ -0.15217 0.08090 0.08844 0.13642 -0.04405 201 23 O 1S -0.00873 -0.00337 0.00166 -0.00061 -0.00456 202 2S -0.11999 -0.15199 -0.06050 0.03532 -0.11933 203 2PX -0.02785 -0.00183 -0.03207 -0.02530 -0.02970 204 2PY 0.08094 -0.04649 -0.02374 0.01962 0.01216 205 2PZ 0.03439 -0.02281 0.01225 0.03523 0.01277 206 3S 0.78609 0.52738 0.12836 -0.08594 0.57117 207 3PX 0.14609 0.01205 0.14537 0.15412 0.17397 208 3PY 0.10928 0.09279 0.02784 -0.02071 0.09448 209 3PZ -0.10467 0.06163 -0.09610 -0.14081 -0.07564 210 4XX 0.00888 0.09747 -0.07821 -0.17803 0.04091 211 4YY -0.07758 -0.05994 -0.02005 0.00385 -0.06572 212 4ZZ 0.04748 -0.09765 0.09384 0.18282 -0.00467 213 4XY 0.15198 0.05334 0.10687 0.14171 0.14443 214 4XZ -0.04323 0.02884 -0.01414 -0.10686 -0.01581 215 4YZ -0.15216 0.08090 -0.08844 -0.13642 -0.04405 176 177 178 179 180 V V V V V Eigenvalues -- 2.30653 2.32435 2.37547 2.37589 2.40383 1 1 C 1S -0.00161 0.00485 0.00477 0.00343 -0.05211 2 2S -0.07746 0.02821 -0.18864 0.04636 -0.76496 3 2PX -0.03507 0.02267 0.03835 -0.02285 0.07548 4 2PY -0.05865 0.05406 -0.04844 -0.01907 -0.11515 5 2PZ 0.05413 0.03557 -0.03254 0.02769 0.04893 6 3S -0.61823 -0.07552 0.48789 -0.36031 2.23879 7 3PX -0.16095 -0.24543 -0.27726 0.07278 -0.19885 8 3PY -0.18340 -0.09711 0.18132 0.06536 1.15572 9 3PZ 0.09108 0.28299 -0.05929 0.13626 -0.30281 10 4XX -0.02067 0.06016 -0.17827 0.08183 0.26872 11 4YY 0.12184 -0.05844 0.08723 -0.20336 0.19043 12 4ZZ -0.11788 0.00369 0.15602 0.09507 -0.36276 13 4XY -0.02859 0.03169 -0.16847 0.23749 -0.15338 14 4XZ -0.19731 -0.04618 -0.00559 0.09449 -0.00759 15 4YZ -0.11087 0.10517 -0.16368 0.25307 -0.10489 16 2 C 1S -0.01863 -0.01344 -0.00246 -0.00947 -0.00304 17 2S -0.38720 -0.23817 0.23406 -0.26553 0.02650 18 2PX 0.09334 0.05390 -0.04742 0.05314 0.06035 19 2PY -0.00333 -0.05675 -0.01781 -0.06229 0.02949 20 2PZ -0.05058 -0.03372 0.03594 -0.04270 -0.01442 21 3S 1.62528 0.50328 -0.56921 0.34508 -1.03769 22 3PX -0.64824 -0.28107 0.47213 -0.24573 0.56109 23 3PY 0.61192 0.07405 -0.25668 0.03605 -0.18851 24 3PZ 0.48340 0.13938 0.07451 0.07893 -0.21266 25 4XX 0.03777 0.05106 -0.33930 0.12586 0.09270 26 4YY -0.00764 0.05515 0.01642 0.09446 0.08892 27 4ZZ -0.00163 -0.10367 0.25463 -0.19469 -0.19344 28 4XY 0.05796 -0.05583 0.07206 0.00526 0.27711 29 4XZ -0.08892 -0.09989 -0.17965 -0.08709 -0.00686 30 4YZ 0.05981 0.04884 0.10654 0.01219 0.41265 31 3 C 1S 0.01863 -0.01344 0.00246 -0.00947 0.00304 32 2S 0.38720 -0.23817 -0.23385 -0.26572 -0.02649 33 2PX -0.09334 0.05390 0.04738 0.05318 -0.06035 34 2PY -0.00333 0.05675 -0.01786 0.06228 0.02949 35 2PZ 0.05058 -0.03372 -0.03590 -0.04273 0.01443 36 3S -1.62529 0.50328 0.56895 0.34554 1.03772 37 3PX 0.64825 -0.28108 -0.47194 -0.24611 -0.56110 38 3PY 0.61191 -0.07405 -0.25665 -0.03625 -0.18851 39 3PZ -0.48340 0.13937 -0.07457 0.07888 0.21267 40 4XX -0.03777 0.05107 0.33921 0.12612 -0.09269 41 4YY 0.00764 0.05515 -0.01649 0.09445 -0.08892 42 4ZZ 0.00163 -0.10367 -0.25449 -0.19488 0.19344 43 4XY 0.05796 0.05583 0.07206 -0.00520 0.27711 44 4XZ 0.08892 -0.09988 0.17972 -0.08695 0.00686 45 4YZ 0.05981 -0.04883 0.10655 -0.01209 0.41265 46 4 C 1S 0.00161 0.00485 -0.00477 0.00342 0.05211 47 2S 0.07746 0.02820 0.18861 0.04653 0.76497 48 2PX 0.03507 0.02267 -0.03833 -0.02288 -0.07548 49 2PY -0.05865 -0.05406 -0.04845 0.01903 -0.11515 50 2PZ -0.05413 0.03557 0.03251 0.02772 -0.04893 51 3S 0.61825 -0.07551 -0.48765 -0.36075 -2.23887 52 3PX 0.16095 -0.24543 0.27721 0.07300 0.19885 53 3PY -0.18341 0.09710 0.18138 -0.06519 1.15576 54 3PZ -0.09108 0.28299 0.05919 0.13631 0.30280 55 4XX 0.02067 0.06017 0.17821 0.08196 -0.26872 56 4YY -0.12184 -0.05844 -0.08708 -0.20343 -0.19043 57 4ZZ 0.11788 0.00369 -0.15609 0.09496 0.36276 58 4XY -0.02859 -0.03170 -0.16829 -0.23762 -0.15337 59 4XZ 0.19731 -0.04618 0.00552 0.09449 0.00760 60 4YZ -0.11087 -0.10517 -0.16348 -0.25320 -0.10487 61 5 H 1S -0.09630 0.03000 -0.07530 0.16754 -0.12249 62 2S 0.03506 -0.09313 0.02725 0.00989 0.32127 63 6 H 1S 0.00426 -0.07352 -0.08575 -0.04553 -0.06341 64 2S 0.24860 0.10548 -0.05606 0.07695 -0.07437 65 7 H 1S -0.00426 -0.07351 0.08579 -0.04546 0.06341 66 2S -0.24860 0.10548 0.05600 0.07699 0.07437 67 8 H 1S 0.09630 0.03000 0.07517 0.16760 0.12249 68 2S -0.03506 -0.09313 -0.02726 0.00986 -0.32128 69 9 C 1S 0.00000 0.03914 0.00000 0.00382 0.00000 70 2S 0.00000 0.52144 0.00004 -0.12621 0.00000 71 2PX 0.00000 -0.00770 -0.00003 0.08425 0.00000 72 2PY -0.03029 0.00000 0.00216 0.00000 0.09671 73 2PZ 0.00000 -0.04850 0.00000 -0.00664 0.00000 74 3S -0.00001 -1.37387 -0.00005 0.20966 0.00005 75 3PX 0.00000 0.35873 0.00007 -0.18722 0.00001 76 3PY -0.00760 0.00000 0.14737 0.00006 0.50122 77 3PZ 0.00000 0.31661 -0.00002 0.01885 -0.00002 78 4XX 0.00000 -0.17746 0.00018 -0.46005 0.00000 79 4YY 0.00000 -0.02768 0.00004 -0.08764 0.00001 80 4ZZ 0.00000 0.16108 -0.00023 0.60317 -0.00001 81 4XY -0.20429 0.00000 -0.15711 -0.00006 -0.24500 82 4XZ 0.00000 0.20084 -0.00025 0.63971 -0.00002 83 4YZ -0.07328 0.00000 0.03493 0.00001 -0.21768 84 10 H 1S 0.00000 0.26325 -0.00018 0.46095 -0.00001 85 2S 0.00000 0.37984 0.00017 -0.45791 0.00001 86 11 H 1S 0.00000 -0.07085 0.00016 -0.39839 0.00001 87 2S 0.00000 -0.01814 -0.00006 0.15497 0.00000 88 12 C 1S 0.01274 -0.03971 -0.02480 -0.00386 -0.03337 89 2S 0.55284 -0.51718 -0.12416 0.21062 -0.77605 90 2PX -0.04861 -0.03598 0.03777 0.02979 0.05838 91 2PY -0.11827 0.19552 -0.15217 -0.04684 0.00273 92 2PZ 0.10339 -0.02021 -0.04330 0.04468 -0.12948 93 3S -2.13235 1.96120 1.82094 -0.31010 3.47671 94 3PX 1.40543 -0.68075 -0.94695 -0.02161 -0.67730 95 3PY -0.78553 0.42049 -1.02737 -0.10036 -1.02641 96 3PZ -0.98629 0.64100 0.79371 -0.06137 1.45694 97 4XX -0.10144 -0.06130 0.06521 0.04920 0.14617 98 4YY 0.19657 0.17498 0.19656 -0.11201 -0.06363 99 4ZZ -0.16858 -0.09841 -0.24409 -0.01345 0.05154 100 4XY -0.23111 -0.25460 0.29343 0.01967 0.03636 101 4XZ 0.18860 -0.18407 0.11988 0.05904 0.13728 102 4YZ -0.16611 0.22519 0.35318 -0.01424 -0.02525 103 13 C 1S -0.01274 -0.03971 0.02480 -0.00384 0.03337 104 2S -0.55284 -0.51718 0.12400 0.21073 0.77604 105 2PX 0.04861 -0.03599 -0.03779 0.02976 -0.05837 106 2PY -0.11828 -0.19552 -0.15221 0.04673 0.00273 107 2PZ -0.10339 -0.02021 0.04326 0.04472 0.12948 108 3S 2.13237 1.96119 -1.82071 -0.31160 -3.47670 109 3PX -1.40544 -0.68073 0.94696 -0.02086 0.67730 110 3PY -0.78552 -0.42046 -1.02745 0.09954 -1.02641 111 3PZ 0.98629 0.64099 -0.79366 -0.06202 -1.45693 112 4XX 0.10144 -0.06130 -0.06524 0.04915 -0.14617 113 4YY -0.19656 0.17498 -0.19648 -0.11216 0.06363 114 4ZZ 0.16858 -0.09841 0.24409 -0.01326 -0.05155 115 4XY -0.23111 0.25461 0.29344 -0.01945 0.03636 116 4XZ -0.18861 -0.18407 -0.11992 0.05895 -0.13727 117 4YZ -0.16611 -0.22519 0.35317 0.01451 -0.02525 118 14 C 1S 0.00354 -0.00394 -0.01169 0.02052 0.00080 119 2S 0.12953 -0.01794 -0.14408 -0.00400 0.01704 120 2PX -0.06562 -0.20077 0.00677 0.03325 0.07922 121 2PY 0.02134 -0.00506 -0.00368 -0.02441 -0.05938 122 2PZ -0.00069 0.12019 0.00530 -0.04748 -0.00891 123 3S -0.93930 -0.03075 1.20649 -0.35456 0.73493 124 3PX -1.87112 -1.82693 -0.28267 0.55296 0.49636 125 3PY -0.46282 -0.03960 1.29405 -0.37547 1.41643 126 3PZ 1.17022 1.21607 0.19366 -0.28843 -0.16796 127 4XX -0.03416 -0.17768 -0.07434 0.08019 0.08258 128 4YY -0.06211 0.03066 0.03929 -0.04065 -0.02639 129 4ZZ 0.04661 0.13958 0.05518 0.01709 -0.03785 130 4XY 0.08117 -0.13503 0.14340 0.03832 -0.08914 131 4XZ -0.11573 -0.13071 0.04098 0.16404 0.13922 132 4YZ -0.03978 0.14133 0.05561 -0.05266 -0.00014 133 15 C 1S 0.01223 0.05232 0.00284 -0.02380 0.00307 134 2S 0.26063 0.37821 0.20856 -0.20478 -0.04039 135 2PX -0.00653 -0.05209 0.04383 0.02955 -0.02643 136 2PY 0.25679 0.19956 0.05295 -0.10281 -0.09947 137 2PZ -0.03211 0.04064 0.01029 -0.03393 0.00521 138 3S -0.42567 -1.91546 -1.54229 0.82071 -1.19142 139 3PX -0.40695 -0.59085 -0.67972 0.30875 -0.25753 140 3PY 1.22385 0.51450 -0.34344 -0.10649 -0.96549 141 3PZ 0.32000 0.43144 0.63193 -0.22341 0.19113 142 4XX -0.18446 -0.00800 -0.10347 0.00735 0.16194 143 4YY 0.27812 -0.18172 0.07199 0.07713 -0.14501 144 4ZZ -0.03474 0.26198 -0.00408 -0.09242 -0.05660 145 4XY -0.24771 0.21585 0.21615 -0.09204 -0.02967 146 4XZ 0.27315 0.29874 -0.02207 -0.14263 -0.06857 147 4YZ -0.07801 -0.12424 0.22257 0.06739 -0.09636 148 16 C 1S -0.01223 0.05232 -0.00282 -0.02381 -0.00307 149 2S -0.26062 0.37821 -0.20840 -0.20493 0.04040 150 2PX 0.00653 -0.05210 -0.04385 0.02952 0.02643 151 2PY 0.25679 -0.19956 0.05287 0.10285 -0.09947 152 2PZ 0.03211 0.04064 -0.01026 -0.03394 -0.00521 153 3S 0.42564 -1.91548 1.54167 0.82193 1.19141 154 3PX 0.40695 -0.59086 0.67948 0.30928 0.25751 155 3PY 1.22384 -0.51451 -0.34353 0.10620 -0.96549 156 3PZ -0.32000 0.43145 -0.63176 -0.22390 -0.19113 157 4XX 0.18446 -0.00801 0.10347 0.00742 -0.16194 158 4YY -0.27812 -0.18171 -0.07205 0.07708 0.14501 159 4ZZ 0.03474 0.26198 0.00415 -0.09241 0.05660 160 4XY -0.24772 -0.21585 0.21608 0.09221 -0.02967 161 4XZ -0.27314 0.29875 0.02218 -0.14261 0.06857 162 4YZ -0.07800 0.12423 0.22262 -0.06723 -0.09636 163 17 C 1S -0.00354 -0.00394 0.01167 0.02053 -0.00080 164 2S -0.12953 -0.01794 0.14408 -0.00389 -0.01704 165 2PX 0.06561 -0.20077 -0.00680 0.03324 -0.07922 166 2PY 0.02134 0.00506 -0.00370 0.02440 -0.05938 167 2PZ 0.00069 0.12019 -0.00527 -0.04749 0.00891 168 3S 0.93930 -0.03077 -1.20620 -0.35551 -0.73491 169 3PX 1.87109 -1.82696 0.28227 0.55316 -0.49634 170 3PY -0.46285 0.03962 1.29376 0.37650 1.41644 171 3PZ -1.17020 1.21609 -0.19345 -0.28857 0.16796 172 4XX 0.03417 -0.17768 0.07429 0.08025 -0.08258 173 4YY 0.06211 0.03066 -0.03926 -0.04068 0.02639 174 4ZZ -0.04661 0.13958 -0.05520 0.01705 0.03785 175 4XY 0.08117 0.13503 0.14343 -0.03821 -0.08913 176 4XZ 0.11573 -0.13071 -0.04110 0.16400 -0.13922 177 4YZ -0.03978 -0.14133 0.05557 0.05271 -0.00013 178 18 H 1S 0.06752 0.08586 0.32660 0.04904 0.08800 179 2S -0.17722 0.10171 0.29123 -0.01607 0.37170 180 19 H 1S -0.06752 0.08586 -0.32664 0.04879 -0.08800 181 2S 0.17723 0.10170 -0.29123 -0.01630 -0.37170 182 20 H 1S 0.27931 0.06678 -0.07168 -0.01433 -0.12229 183 2S 0.03550 -0.04770 -0.20425 0.04633 -0.15460 184 21 H 1S -0.27931 0.06678 0.07169 -0.01427 0.12229 185 2S -0.03550 -0.04770 0.20422 0.04649 0.15460 186 22 O 1S -0.00134 0.00137 0.00987 0.00090 0.00461 187 2S -0.04376 -0.01269 0.17798 0.09532 0.18899 188 2PX 0.05297 -0.07949 0.00771 0.02234 -0.00868 189 2PY 0.02057 0.01608 -0.02812 -0.03116 0.01421 190 2PZ -0.03313 0.05600 0.00533 -0.00177 0.00449 191 3S 0.15471 -0.05206 -0.75844 -0.25760 -0.91364 192 3PX -0.39698 0.43273 -0.13627 -0.13796 0.06354 193 3PY -0.02319 0.02018 0.14532 0.06753 0.16723 194 3PZ 0.23551 -0.28810 -0.02221 0.04069 -0.06289 195 4XX -0.07660 0.09973 -0.01666 -0.00470 -0.01540 196 4YY 0.02000 -0.02450 0.05907 0.01200 0.08901 197 4ZZ 0.03130 -0.07794 0.04791 0.01663 -0.05407 198 4XY 0.36591 -0.26905 0.19799 0.06683 -0.09146 199 4XZ -0.05870 0.03487 -0.02263 -0.04041 0.01990 200 4YZ -0.17775 0.15529 0.03570 -0.02553 0.02687 201 23 O 1S 0.00134 0.00137 -0.00987 0.00090 -0.00461 202 2S 0.04375 -0.01269 -0.17806 0.09518 -0.18898 203 2PX -0.05297 -0.07949 -0.00773 0.02234 0.00867 204 2PY 0.02057 -0.01608 -0.02814 0.03113 0.01421 205 2PZ 0.03313 0.05600 -0.00533 -0.00178 -0.00449 206 3S -0.15470 -0.05207 0.75864 -0.25699 0.91363 207 3PX 0.39699 0.43273 0.13638 -0.13786 -0.06353 208 3PY -0.02319 -0.02019 0.14537 -0.06741 0.16723 209 3PZ -0.23551 -0.28809 0.02218 0.04071 0.06289 210 4XX 0.07660 0.09974 0.01667 -0.00469 0.01539 211 4YY -0.02001 -0.02451 -0.05908 0.01196 -0.08901 212 4ZZ -0.03130 -0.07794 -0.04792 0.01660 0.05407 213 4XY 0.36592 0.26905 0.19804 -0.06668 -0.09147 214 4XZ 0.05869 0.03487 0.02266 -0.04039 -0.01990 215 4YZ -0.17775 -0.15529 0.03568 0.02556 0.02687 181 182 183 184 185 V V V V V Eigenvalues -- 2.45157 2.45285 2.52411 2.57313 2.58327 1 1 C 1S 0.06908 -0.04744 -0.01492 0.01531 -0.02164 2 2S 0.12604 -0.99855 -0.01291 -0.08101 -0.43435 3 2PX -0.05781 0.00507 -0.06339 -0.00381 0.04425 4 2PY -0.17535 -0.22057 0.00787 -0.04129 -0.12111 5 2PZ -0.06307 0.02026 0.05348 0.02633 -0.04184 6 3S -2.35330 2.26920 0.43301 -0.38825 1.33088 7 3PX -0.09950 -0.01185 0.10912 -0.09372 0.25379 8 3PY -1.03727 1.33011 0.33853 -0.25073 0.84484 9 3PZ -0.08770 -0.71573 -0.09664 -0.10284 -0.44470 10 4XX 0.27969 -0.18186 -0.15411 -0.02094 0.06776 11 4YY -0.32568 0.11083 0.08378 -0.01319 -0.00358 12 4ZZ 0.10991 0.22016 0.03098 0.08397 -0.00166 13 4XY -0.03441 -0.07531 -0.02671 -0.01985 0.03605 14 4XZ 0.45256 -0.13448 -0.01494 0.03208 -0.10207 15 4YZ -0.22004 -0.21049 0.12411 -0.04884 -0.16328 16 2 C 1S -0.02725 -0.00728 0.00625 -0.00807 0.03437 17 2S -0.10331 -0.20833 0.17821 -0.06900 -0.07947 18 2PX -0.09004 0.10918 -0.03192 -0.00208 0.09292 19 2PY -0.09342 -0.01521 0.02771 -0.01875 -0.13429 20 2PZ 0.05535 -0.04259 0.01693 0.00627 -0.03812 21 3S 0.89819 -0.86749 -0.39634 0.52402 -1.77725 22 3PX -0.47283 0.44187 0.19228 -0.16862 0.47861 23 3PY 0.07946 -0.05781 -0.07378 0.21292 -0.60852 24 3PZ 0.29821 -0.27386 -0.06707 0.22984 -0.40572 25 4XX 0.16354 -0.25407 -0.02504 -0.03096 0.08990 26 4YY -0.01327 0.00549 -0.04743 -0.02151 -0.25697 27 4ZZ -0.17093 0.25994 0.06398 0.05353 0.19783 28 4XY 0.03741 -0.25028 0.03041 -0.01732 -0.01709 29 4XZ -0.24072 -0.23741 -0.01983 -0.11441 0.07652 30 4YZ -0.00081 -0.24932 -0.04741 0.01374 -0.04738 31 3 C 1S -0.02725 0.00730 0.00625 0.00807 -0.03437 32 2S -0.10319 0.20839 0.17821 0.06900 0.07947 33 2PX -0.09010 -0.10913 -0.03192 0.00208 -0.09292 34 2PY 0.09341 -0.01526 -0.02771 -0.01875 -0.13429 35 2PZ 0.05537 0.04256 0.01693 -0.00627 0.03812 36 3S 0.89865 0.86698 -0.39630 -0.52401 1.77725 37 3PX -0.47307 -0.44160 0.19226 0.16862 -0.47861 38 3PY -0.07948 -0.05776 0.07377 0.21292 -0.60852 39 3PZ 0.29836 0.27369 -0.06706 -0.22984 0.40572 40 4XX 0.16369 0.25397 -0.02504 0.03096 -0.08990 41 4YY -0.01327 -0.00548 -0.04743 0.02151 0.25697 42 4ZZ -0.17109 -0.25984 0.06398 -0.05353 -0.19783 43 4XY -0.03756 -0.25026 -0.03041 -0.01731 -0.01709 44 4XZ -0.24059 0.23755 -0.01983 0.11441 -0.07652 45 4YZ 0.00066 -0.24933 0.04741 0.01374 -0.04738 46 4 C 1S 0.06910 0.04740 -0.01492 -0.01531 0.02164 47 2S 0.12658 0.99848 -0.01290 0.08101 0.43435 48 2PX -0.05781 -0.00504 -0.06340 0.00381 -0.04425 49 2PY 0.17523 -0.22067 -0.00787 -0.04129 -0.12111 50 2PZ -0.06308 -0.02023 0.05348 -0.02632 0.04184 51 3S -2.35452 -2.26786 0.43296 0.38826 -1.33088 52 3PX -0.09950 0.01191 0.10912 0.09372 -0.25379 53 3PY 1.03799 1.32953 -0.33851 -0.25074 0.84485 54 3PZ -0.08731 0.71578 -0.09663 0.10284 0.44470 55 4XX 0.27981 0.18170 -0.15411 0.02094 -0.06776 56 4YY -0.32574 -0.11064 0.08378 0.01319 0.00358 57 4ZZ 0.10977 -0.22022 0.03098 -0.08397 0.00166 58 4XY 0.03437 -0.07533 0.02671 -0.01985 0.03605 59 4XZ 0.45264 0.13422 -0.01494 -0.03209 0.10207 60 4YZ 0.21992 -0.21062 -0.12411 -0.04884 -0.16328 61 5 H 1S 0.16790 -0.06700 0.00851 -0.00361 0.00659 62 2S -0.17628 0.40712 0.11780 -0.05476 0.24432 63 6 H 1S -0.06337 -0.10277 0.02286 -0.02736 0.01909 64 2S 0.12313 -0.06372 -0.03187 0.09714 -0.18552 65 7 H 1S -0.06331 0.10280 0.02286 0.02736 -0.01909 66 2S 0.12317 0.06365 -0.03187 -0.09714 0.18552 67 8 H 1S 0.16794 0.06690 0.00851 0.00361 -0.00659 68 2S -0.17650 -0.40702 0.11779 0.05477 -0.24432 69 9 C 1S -0.09095 0.00003 0.00976 0.00000 0.00000 70 2S -0.25821 0.00007 -0.12695 0.00000 0.00000 71 2PX 0.12986 -0.00004 -0.04453 0.00000 0.00000 72 2PY 0.00004 0.14840 0.00000 -0.03016 0.02592 73 2PZ -0.23380 0.00007 0.09937 0.00000 0.00000 74 3S 2.91907 -0.00083 -0.25394 -0.00001 0.00000 75 3PX 0.23408 -0.00007 -0.04602 0.00000 0.00000 76 3PY 0.00003 0.14674 0.00001 -0.20587 -0.05670 77 3PZ -1.39080 0.00040 0.18193 0.00000 0.00000 78 4XX -0.55100 0.00016 0.04771 0.00000 0.00000 79 4YY 0.34722 -0.00010 -0.14211 0.00000 0.00000 80 4ZZ 0.11257 -0.00003 0.10906 0.00000 0.00000 81 4XY -0.00004 -0.15330 0.00000 -0.08875 -0.13336 82 4XZ -0.53606 0.00015 0.31425 0.00000 0.00000 83 4YZ 0.00003 0.10460 0.00000 0.09184 0.16474 84 10 H 1S -0.07975 0.00002 0.07844 0.00000 0.00000 85 2S 0.01939 0.00000 -0.05402 0.00000 0.00000 86 11 H 1S 0.24428 -0.00007 -0.19384 0.00000 0.00000 87 2S 0.08081 -0.00002 0.02837 0.00000 0.00000 88 12 C 1S 0.01061 -0.04663 0.04785 0.05094 -0.02221 89 2S 0.20790 -0.67034 0.35079 0.15413 -0.34808 90 2PX 0.08672 -0.01540 0.12312 0.03479 0.01297 91 2PY -0.05536 0.00759 -0.21656 0.19760 -0.02321 92 2PZ 0.02757 -0.03718 -0.05981 0.02178 -0.03869 93 3S -0.49141 2.90261 -1.89775 -2.08818 1.32969 94 3PX 0.14082 0.16720 0.82217 0.47814 -0.05369 95 3PY -0.07555 -0.33159 -0.16081 1.24145 -0.12490 96 3PZ -0.19579 0.72684 -0.61202 -0.47652 0.44242 97 4XX 0.04104 0.02109 -0.10588 0.17338 0.17350 98 4YY -0.03980 -0.04723 -0.05247 -0.42735 0.05206 99 4ZZ -0.03672 0.09753 0.13642 0.21367 -0.14303 100 4XY 0.04341 -0.04171 0.18989 -0.32102 -0.12997 101 4XZ 0.09636 0.05324 0.34271 0.20801 0.08965 102 4YZ -0.04593 -0.09562 -0.13180 0.09353 -0.41213 103 13 C 1S 0.01063 0.04662 0.04785 -0.05094 0.02221 104 2S 0.20825 0.67021 0.35080 -0.15413 0.34808 105 2PX 0.08673 0.01535 0.12312 -0.03479 -0.01296 106 2PY 0.05536 0.00755 0.21656 0.19760 -0.02321 107 2PZ 0.02759 0.03717 -0.05981 -0.02178 0.03869 108 3S -0.49288 -2.90231 -1.89778 2.08820 -1.32970 109 3PX 0.14069 -0.16728 0.82218 -0.47814 0.05369 110 3PY 0.07542 -0.33164 0.16079 1.24145 -0.12490 111 3PZ -0.19614 -0.72672 -0.61204 0.47653 -0.44242 112 4XX 0.04103 -0.02111 -0.10589 -0.17338 -0.17350 113 4YY -0.03976 0.04725 -0.05246 0.42736 -0.05205 114 4ZZ -0.03678 -0.09751 0.13642 -0.21368 0.14303 115 4XY -0.04344 -0.04168 -0.18989 -0.32101 -0.12997 116 4XZ 0.09633 -0.05330 0.34270 -0.20801 -0.08965 117 4YZ 0.04587 -0.09565 0.13180 0.09353 -0.41213 118 14 C 1S -0.03278 0.00639 -0.10132 0.00090 0.01827 119 2S -0.04014 0.04555 -0.47001 0.11521 0.07229 120 2PX 0.01130 0.03319 0.01965 0.00080 0.04034 121 2PY 0.04628 -0.06223 0.11337 0.02370 -0.05358 122 2PZ 0.03789 -0.00534 -0.04168 -0.05861 0.02043 123 3S 0.79268 0.09967 2.67717 -0.30071 -0.43851 124 3PX 0.13272 0.80669 0.60044 -0.07608 0.72749 125 3PY 0.18378 0.46261 1.49404 -0.35845 -0.26585 126 3PZ -0.05306 -0.39412 -0.23543 -0.11733 -0.37187 127 4XX 0.05844 0.19294 0.02167 -0.12812 -0.27953 128 4YY 0.05897 -0.03286 0.21189 -0.07614 -0.01154 129 4ZZ -0.20704 -0.14327 -0.34241 0.17941 0.32068 130 4XY -0.01757 -0.08382 0.13447 -0.08284 -0.03818 131 4XZ -0.14314 0.08745 -0.50529 -0.06308 -0.05992 132 4YZ -0.02254 -0.05108 0.16964 0.36893 -0.23041 133 15 C 1S 0.00957 -0.00600 0.03541 0.04325 -0.02773 134 2S 0.10399 -0.10473 0.12077 0.04456 -0.21507 135 2PX -0.00827 -0.03027 -0.10576 -0.01745 0.02739 136 2PY 0.06187 -0.05952 0.15056 -0.19597 -0.01839 137 2PZ 0.03707 -0.01275 0.07274 0.01941 0.03203 138 3S -0.25992 -0.04288 -0.82265 -1.23730 1.43932 139 3PX -0.15481 0.12668 -0.51710 -0.12001 0.64861 140 3PY -0.02647 -0.72777 -0.16165 -0.72625 0.02913 141 3PZ 0.09456 -0.21694 0.37897 0.11582 -0.48820 142 4XX 0.02312 0.18111 -0.06861 -0.01413 -0.04926 143 4YY -0.04531 -0.09321 0.00711 -0.35128 0.00295 144 4ZZ 0.00840 -0.11149 0.08903 0.34975 0.04901 145 4XY 0.04710 -0.21175 0.10454 -0.09808 0.32609 146 4XZ 0.07505 -0.06883 0.26445 0.20518 -0.23732 147 4YZ -0.06486 -0.26593 -0.06528 0.26372 0.28899 148 16 C 1S 0.00957 0.00600 0.03541 -0.04325 0.02773 149 2S 0.10405 0.10467 0.12077 -0.04456 0.21507 150 2PX -0.00825 0.03028 -0.10576 0.01745 -0.02739 151 2PY -0.06190 -0.05948 -0.15056 -0.19596 -0.01839 152 2PZ 0.03708 0.01273 0.07274 -0.01941 -0.03203 153 3S -0.25996 0.04302 -0.82263 1.23731 -1.43932 154 3PX -0.15490 -0.12660 -0.51709 0.12001 -0.64861 155 3PY 0.02610 -0.72779 0.16164 -0.72625 0.02914 156 3PZ 0.09470 0.21688 0.37896 -0.11582 0.48820 157 4XX 0.02302 -0.18113 -0.06861 0.01413 0.04927 158 4YY -0.04526 0.09324 0.00711 0.35128 -0.00296 159 4ZZ 0.00846 0.11148 0.08903 -0.34976 -0.04901 160 4XY -0.04722 -0.21172 -0.10454 -0.09808 0.32608 161 4XZ 0.07508 0.06878 0.26445 -0.20518 0.23732 162 4YZ 0.06471 -0.26596 0.06528 0.26372 0.28899 163 17 C 1S -0.03278 -0.00637 -0.10132 -0.00090 -0.01827 164 2S -0.04017 -0.04553 -0.47001 -0.11521 -0.07229 165 2PX 0.01128 -0.03319 0.01964 -0.00080 -0.04034 166 2PY -0.04631 -0.06220 -0.11338 0.02370 -0.05358 167 2PZ 0.03789 0.00532 -0.04167 0.05861 -0.02043 168 3S 0.79268 -0.10013 2.67716 0.30067 0.43853 169 3PX 0.13228 -0.80677 0.60043 0.07607 -0.72749 170 3PY -0.18359 0.46273 -1.49403 -0.35844 -0.26585 171 3PZ -0.05284 0.39416 -0.23543 0.11734 0.37186 172 4XX 0.05834 -0.19298 0.02167 0.12811 0.27953 173 4YY 0.05899 0.03282 0.21189 0.07615 0.01154 174 4ZZ -0.20696 0.14339 -0.34241 -0.17941 -0.32068 175 4XY 0.01752 -0.08383 -0.13447 -0.08284 -0.03819 176 4XZ -0.14318 -0.08736 -0.50530 0.06309 0.05991 177 4YZ 0.02252 -0.05109 -0.16963 0.36893 -0.23042 178 18 H 1S 0.04272 -0.18003 0.00015 0.09916 -0.11228 179 2S -0.07189 0.01086 -0.10445 -0.34706 0.11125 180 19 H 1S 0.04282 0.18000 0.00014 -0.09916 0.11228 181 2S -0.07188 -0.01082 -0.10445 0.34706 -0.11125 182 20 H 1S -0.01772 -0.07994 0.01272 0.19596 -0.11129 183 2S -0.03290 -0.05184 -0.16389 -0.19251 0.18822 184 21 H 1S -0.01768 0.07995 0.01272 -0.19596 0.11129 185 2S -0.03288 0.05186 -0.16389 0.19251 -0.18822 186 22 O 1S 0.00663 -0.00066 0.00904 -0.00133 0.00039 187 2S -0.03233 0.03058 -0.29676 -0.05840 -0.07281 188 2PX -0.00770 -0.02194 0.00989 0.02084 -0.02084 189 2PY 0.03656 0.01884 0.12539 0.01717 0.02458 190 2PZ -0.00900 0.00617 -0.02012 -0.01171 0.01114 191 3S -0.08207 -0.26129 0.57446 0.21377 0.14368 192 3PX -0.02371 0.16676 -0.08229 -0.04508 0.19602 193 3PY 0.01550 0.03125 -0.14991 -0.06117 -0.04237 194 3PZ -0.00343 -0.06519 0.12570 -0.12060 0.00271 195 4XX -0.03714 0.02041 -0.06366 -0.05361 -0.10378 196 4YY 0.04027 0.05088 0.06445 0.04060 -0.00329 197 4ZZ 0.02780 -0.09060 0.01529 -0.00208 0.10270 198 4XY 0.03295 -0.12224 0.00211 -0.06385 -0.16198 199 4XZ 0.01104 0.03111 0.10130 -0.04282 -0.00931 200 4YZ 0.05799 -0.00619 -0.13731 0.35544 -0.15037 201 23 O 1S 0.00663 0.00066 0.00904 0.00133 -0.00039 202 2S -0.03234 -0.03056 -0.29676 0.05839 0.07282 203 2PX -0.00769 0.02195 0.00989 -0.02084 0.02084 204 2PY -0.03655 0.01886 -0.12539 0.01716 0.02458 205 2PZ -0.00901 -0.00616 -0.02012 0.01171 -0.01114 206 3S -0.08196 0.26133 0.57447 -0.21376 -0.14369 207 3PX -0.02380 -0.16675 -0.08229 0.04508 -0.19602 208 3PY -0.01549 0.03126 0.14991 -0.06116 -0.04238 209 3PZ -0.00339 0.06519 0.12570 0.12060 -0.00270 210 4XX -0.03715 -0.02039 -0.06366 0.05361 0.10377 211 4YY 0.04024 -0.05090 0.06445 -0.04060 0.00330 212 4ZZ 0.02785 0.09059 0.01529 0.00208 -0.10270 213 4XY -0.03302 -0.12222 -0.00211 -0.06385 -0.16198 214 4XZ 0.01102 -0.03112 0.10130 0.04282 0.00931 215 4YZ -0.05799 -0.00616 0.13731 0.35544 -0.15036 186 187 188 189 190 V V V V V Eigenvalues -- 2.59382 2.61406 2.62376 2.63840 2.66181 1 1 C 1S 0.00450 0.04157 0.00222 -0.06172 0.03191 2 2S 0.00806 0.20372 -0.05970 -0.40545 0.06083 3 2PX 0.02989 -0.23347 0.02745 0.07131 -0.23737 4 2PY 0.00212 -0.01693 -0.00960 0.05151 -0.01883 5 2PZ -0.04130 0.16462 -0.01884 0.00895 0.20598 6 3S -0.22631 -2.69035 -0.01941 2.01064 -1.13438 7 3PX -0.02561 -0.73127 -0.03222 0.08258 -0.79650 8 3PY -0.29156 -1.16256 -0.12626 1.00246 -0.37848 9 3PZ -0.00866 0.52136 -0.05284 -0.05563 0.62088 10 4XX 0.05502 -0.06678 0.03216 -0.08796 -0.36439 11 4YY -0.02859 -0.01681 0.02135 0.19184 0.51184 12 4ZZ -0.01418 0.08675 -0.02198 -0.03022 -0.20544 13 4XY 0.04364 -0.17036 0.05071 0.00436 -0.28997 14 4XZ 0.03210 0.32217 0.04171 -0.20363 0.52823 15 4YZ -0.05856 0.11098 -0.06328 0.13088 0.23187 16 2 C 1S -0.00137 -0.11504 0.00223 -0.00685 -0.04852 17 2S 0.00606 -0.41232 0.00534 0.00060 0.01844 18 2PX -0.00527 -0.08700 -0.00359 0.07639 -0.31348 19 2PY -0.00647 0.32167 -0.00372 0.20761 -0.16465 20 2PZ -0.00396 0.06304 0.00196 -0.04233 0.21746 21 3S 0.07616 5.45857 -0.00895 -0.57878 1.37963 22 3PX -0.03953 -1.70559 0.01820 0.44636 -0.64871 23 3PY 0.04858 1.93289 0.01040 0.08728 -0.14130 24 3PZ 0.01892 1.28409 -0.00848 -0.48765 0.49646 25 4XX 0.00282 -0.14675 -0.01074 -0.19312 0.22656 26 4YY 0.00719 0.63369 0.01870 0.38629 -0.12977 27 4ZZ -0.03468 -0.44607 -0.00938 -0.13743 -0.03026 28 4XY -0.00881 -0.02302 0.01559 -0.12116 0.26710 29 4XZ 0.03304 -0.53766 0.03022 0.13330 -0.42871 30 4YZ 0.01126 0.00585 -0.00625 -0.03632 -0.18450 31 3 C 1S -0.00137 0.11504 0.00224 0.00685 -0.04852 32 2S 0.00606 0.41233 0.00535 -0.00060 0.01843 33 2PX -0.00527 0.08699 -0.00359 -0.07639 -0.31348 34 2PY 0.00647 0.32167 0.00373 0.20761 0.16466 35 2PZ -0.00396 -0.06304 0.00196 0.04233 0.21746 36 3S 0.07617 -5.45856 -0.00910 0.57877 1.37972 37 3PX -0.03953 1.70559 0.01825 -0.44635 -0.64875 38 3PY -0.04859 1.93288 -0.01035 0.08728 0.14128 39 3PZ 0.01892 -1.28410 -0.00852 0.48765 0.49649 40 4XX 0.00282 0.14676 -0.01074 0.19312 0.22657 41 4YY 0.00719 -0.63370 0.01868 -0.38629 -0.12977 42 4ZZ -0.03469 0.44607 -0.00937 0.13743 -0.03026 43 4XY 0.00881 -0.02302 -0.01559 -0.12116 -0.26710 44 4XZ 0.03304 0.53766 0.03024 -0.13329 -0.42872 45 4YZ -0.01126 0.00585 0.00625 -0.03631 0.18449 46 4 C 1S 0.00450 -0.04157 0.00222 0.06172 0.03192 47 2S 0.00806 -0.20372 -0.05972 0.40544 0.06084 48 2PX 0.02989 0.23346 0.02746 -0.07130 -0.23737 49 2PY -0.00212 -0.01693 0.00960 0.05151 0.01884 50 2PZ -0.04130 -0.16462 -0.01884 -0.00895 0.20598 51 3S -0.22631 2.69033 -0.01931 -2.01063 -1.13446 52 3PX -0.02561 0.73126 -0.03220 -0.08257 -0.79651 53 3PY 0.29156 -1.16256 0.12622 1.00246 0.37853 54 3PZ -0.00866 -0.52135 -0.05286 0.05561 0.62088 55 4XX 0.05502 0.06678 0.03216 0.08796 -0.36438 56 4YY -0.02859 0.01682 0.02135 -0.19184 0.51183 57 4ZZ -0.01418 -0.08675 -0.02198 0.03023 -0.20543 58 4XY -0.04364 -0.17036 -0.05071 0.00436 0.28997 59 4XZ 0.03210 -0.32217 0.04170 0.20363 0.52824 60 4YZ 0.05856 0.11097 0.06329 0.13089 -0.23187 61 5 H 1S -0.01709 0.03938 -0.04009 -0.06537 -0.17221 62 2S -0.12362 -0.22700 -0.04056 0.23790 -0.09051 63 6 H 1S 0.00954 -0.13859 0.01636 -0.02885 -0.00162 64 2S 0.00778 0.65586 -0.01596 -0.11229 0.15571 65 7 H 1S 0.00954 0.13858 0.01636 0.02886 -0.00162 66 2S 0.00778 -0.65586 -0.01598 0.11228 0.15572 67 8 H 1S -0.01709 -0.03938 -0.04009 0.06537 -0.17221 68 2S -0.12362 0.22700 -0.04055 -0.23790 -0.09053 69 9 C 1S -0.01378 0.00000 -0.00981 0.00000 0.04375 70 2S -0.07782 0.00000 -0.04436 0.00000 0.11160 71 2PX 0.02938 0.00000 0.01692 0.00000 -0.02825 72 2PY 0.00000 -0.10792 0.00000 0.24166 0.00000 73 2PZ -0.02381 0.00000 -0.00783 0.00000 0.07894 74 3S 0.51481 0.00000 0.25434 0.00001 -0.52924 75 3PX 0.05363 0.00000 0.03558 0.00000 0.03924 76 3PY 0.00000 -0.11963 0.00000 0.69691 0.00001 77 3PZ -0.31190 0.00000 -0.18775 -0.00001 0.24274 78 4XX -0.05908 0.00000 -0.05689 0.00000 0.08394 79 4YY 0.05768 0.00000 0.08838 0.00000 0.15157 80 4ZZ 0.01425 0.00000 -0.02521 0.00000 -0.21335 81 4XY 0.00000 0.07954 0.00000 0.20791 0.00001 82 4XZ -0.09625 0.00000 -0.05433 0.00000 0.26808 83 4YZ 0.00000 -0.01554 0.00000 -0.42497 -0.00001 84 10 H 1S -0.03911 0.00000 -0.02055 0.00000 0.09840 85 2S 0.06876 0.00000 0.05215 0.00000 -0.08551 86 11 H 1S 0.04559 0.00000 0.03881 0.00000 -0.01617 87 2S 0.03274 0.00000 0.03257 0.00000 -0.02081 88 12 C 1S 0.00025 -0.00572 -0.01338 -0.03638 -0.01570 89 2S -0.00325 -0.10912 0.16534 -0.25826 -0.09258 90 2PX 0.00321 -0.08476 -0.10524 0.03512 -0.00881 91 2PY -0.00641 0.04210 0.16074 -0.10808 0.04059 92 2PZ -0.01046 0.01072 0.08291 -0.00595 0.00574 93 3S 0.01471 0.34669 -0.09645 1.46547 0.61080 94 3PX -0.08549 0.28250 0.05195 0.20056 -0.20427 95 3PY -0.10467 -0.21360 -0.05487 -0.46924 0.13021 96 3PZ 0.08424 -0.20784 -0.08685 0.16130 0.19969 97 4XX 0.16230 0.13454 -0.09986 -0.20778 0.01022 98 4YY -0.05343 -0.04009 0.17615 0.23411 0.00410 99 4ZZ -0.09795 -0.08466 -0.20712 0.01917 -0.02242 100 4XY 0.03086 -0.14117 -0.18882 -0.00702 -0.05915 101 4XZ -0.00919 -0.07546 0.10784 -0.02262 -0.04117 102 4YZ -0.02612 -0.11901 0.12071 -0.25063 0.01670 103 13 C 1S 0.00025 0.00572 -0.01338 0.03638 -0.01570 104 2S -0.00325 0.10912 0.16534 0.25827 -0.09258 105 2PX 0.00321 0.08476 -0.10524 -0.03512 -0.00881 106 2PY 0.00641 0.04210 -0.16074 -0.10808 -0.04059 107 2PZ -0.01046 -0.01072 0.08291 0.00595 0.00574 108 3S 0.01473 -0.34669 -0.09645 -1.46548 0.61079 109 3PX -0.08548 -0.28251 0.05195 -0.20056 -0.20427 110 3PY 0.10467 -0.21359 0.05486 -0.46923 -0.13022 111 3PZ 0.08424 0.20784 -0.08684 -0.16130 0.19969 112 4XX 0.16230 -0.13453 -0.09986 0.20778 0.01022 113 4YY -0.05343 0.04008 0.17614 -0.23411 0.00409 114 4ZZ -0.09795 0.08467 -0.20711 -0.01918 -0.02242 115 4XY -0.03086 -0.14117 0.18882 -0.00702 0.05915 116 4XZ -0.00919 0.07546 0.10785 0.02262 -0.04117 117 4YZ 0.02612 -0.11901 -0.12071 -0.25064 -0.01670 118 14 C 1S 0.01442 -0.00400 -0.00875 0.03223 0.02268 119 2S 0.17156 0.04784 -0.11822 0.13174 0.20103 120 2PX -0.08223 0.03159 -0.00291 -0.01344 0.00102 121 2PY -0.01344 0.00845 0.01071 -0.11611 -0.04033 122 2PZ -0.09853 0.01563 -0.02679 -0.08876 0.00793 123 3S -0.22679 -0.33261 -0.41424 -1.04672 -0.87418 124 3PX -0.05066 0.00468 0.05066 0.48248 -0.31081 125 3PY -0.30506 0.10479 0.29479 -0.34093 -0.16228 126 3PZ -0.24935 0.00782 -0.06713 -0.48080 0.07489 127 4XX 0.17146 -0.08890 -0.36772 0.00205 -0.01767 128 4YY -0.29497 0.01060 0.47840 -0.13593 -0.05285 129 4ZZ 0.11887 0.07061 -0.16031 0.16739 0.06562 130 4XY 0.33840 -0.02741 0.16788 0.32074 -0.00746 131 4XZ 0.04322 -0.09650 0.39019 0.13767 0.08532 132 4YZ 0.51917 -0.14253 0.16813 0.27925 0.01116 133 15 C 1S -0.00160 -0.00990 -0.02416 -0.03329 -0.00451 134 2S -0.03910 0.00377 0.11289 -0.27465 -0.04679 135 2PX -0.02253 0.00590 0.11430 -0.00599 0.01300 136 2PY 0.02815 0.09233 -0.16031 -0.03039 -0.02159 137 2PZ 0.01044 0.01110 -0.09834 -0.01504 -0.01716 138 3S 0.23759 0.38456 0.13679 1.64474 0.13365 139 3PX 0.11876 0.05654 -0.04302 0.81759 0.09240 140 3PY -0.05670 0.17509 -0.02089 -0.02162 0.01412 141 3PZ -0.07056 -0.03352 0.02759 -0.59715 -0.02669 142 4XX -0.00235 -0.08023 -0.21875 -0.02560 0.02312 143 4YY -0.05758 0.15320 0.16882 -0.02869 0.00417 144 4ZZ 0.08260 -0.05536 -0.10656 0.05752 -0.01299 145 4XY 0.05219 0.09820 -0.18332 0.04166 -0.01982 146 4XZ -0.10633 -0.00969 0.05487 -0.30426 -0.02853 147 4YZ -0.04233 0.05638 0.15215 0.05767 0.00624 148 16 C 1S -0.00161 0.00990 -0.02416 0.03329 -0.00451 149 2S -0.03911 -0.00377 0.11289 0.27465 -0.04678 150 2PX -0.02253 -0.00591 0.11430 0.00599 0.01300 151 2PY -0.02815 0.09233 0.16031 -0.03039 0.02158 152 2PZ 0.01044 -0.01110 -0.09834 0.01504 -0.01716 153 3S 0.23763 -0.38456 0.13676 -1.64474 0.13367 154 3PX 0.11878 -0.05654 -0.04302 -0.81759 0.09240 155 3PY 0.05669 0.17509 0.02090 -0.02161 -0.01412 156 3PZ -0.07057 0.03352 0.02760 0.59715 -0.02669 157 4XX -0.00235 0.08024 -0.21874 0.02559 0.02312 158 4YY -0.05758 -0.15320 0.16881 0.02869 0.00417 159 4ZZ 0.08260 0.05537 -0.10655 -0.05752 -0.01299 160 4XY -0.05219 0.09819 0.18333 0.04166 0.01982 161 4XZ -0.10633 0.00969 0.05487 0.30426 -0.02853 162 4YZ 0.04233 0.05639 -0.15215 0.05766 -0.00624 163 17 C 1S 0.01443 0.00400 -0.00875 -0.03223 0.02268 164 2S 0.17157 -0.04783 -0.11822 -0.13174 0.20103 165 2PX -0.08223 -0.03159 -0.00292 0.01344 0.00102 166 2PY 0.01344 0.00845 -0.01071 -0.11611 0.04033 167 2PZ -0.09853 -0.01563 -0.02679 0.08876 0.00793 168 3S -0.22681 0.33263 -0.41423 1.04673 -0.87419 169 3PX -0.05065 -0.00468 0.05065 -0.48248 -0.31080 170 3PY 0.30507 0.10479 -0.29479 -0.34093 0.16229 171 3PZ -0.24935 -0.00782 -0.06713 0.48080 0.07489 172 4XX 0.17145 0.08891 -0.36772 -0.00204 -0.01767 173 4YY -0.29497 -0.01062 0.47840 0.13593 -0.05285 174 4ZZ 0.11888 -0.07060 -0.16031 -0.16739 0.06562 175 4XY -0.33840 -0.02741 -0.16787 0.32074 0.00746 176 4XZ 0.04321 0.09648 0.39019 -0.13767 0.08532 177 4YZ -0.51917 -0.14253 -0.16815 0.27925 -0.01116 178 18 H 1S 0.02827 -0.09322 0.14930 -0.19245 -0.00329 179 2S 0.05609 -0.05741 -0.08947 0.05111 0.02296 180 19 H 1S 0.02827 0.09322 0.14930 0.19245 -0.00329 181 2S 0.05609 0.05741 -0.08947 -0.05111 0.02296 182 20 H 1S -0.07235 -0.02134 0.13371 -0.09178 -0.00456 183 2S 0.04965 0.03996 -0.11118 0.19953 0.01110 184 21 H 1S -0.07236 0.02133 0.13372 0.09178 -0.00456 185 2S 0.04966 -0.03995 -0.11119 -0.19953 0.01110 186 22 O 1S 0.00385 0.00092 -0.00339 -0.00007 -0.00376 187 2S 0.17306 0.04115 -0.49661 -0.08556 0.01329 188 2PX 0.00141 -0.01043 -0.02642 -0.02187 -0.00213 189 2PY -0.08810 0.00579 0.28206 0.02317 -0.01928 190 2PZ 0.00480 0.00195 -0.01794 0.00675 0.00942 191 3S -0.38072 -0.19343 0.89541 0.12858 0.09856 192 3PX 0.16165 0.04973 0.07983 0.00346 0.06431 193 3PY 0.19043 0.06048 -0.41297 -0.08390 -0.01836 194 3PZ 0.24716 0.03353 0.09992 -0.21989 -0.01586 195 4XX 0.10318 -0.01387 -0.06177 -0.09559 0.01565 196 4YY -0.16413 -0.01695 0.01038 0.15445 -0.05509 197 4ZZ 0.13202 0.02869 -0.11448 -0.06219 0.01882 198 4XY -0.35473 -0.07347 -0.11528 0.21698 -0.03272 199 4XZ 0.08505 -0.00651 -0.08520 -0.05938 -0.00644 200 4YZ -0.51599 -0.11094 -0.16211 0.32134 -0.00432 201 23 O 1S 0.00385 -0.00092 -0.00339 0.00007 -0.00376 202 2S 0.17306 -0.04114 -0.49661 0.08555 0.01329 203 2PX 0.00141 0.01043 -0.02642 0.02187 -0.00213 204 2PY 0.08810 0.00580 -0.28206 0.02316 0.01927 205 2PZ 0.00480 -0.00195 -0.01794 -0.00675 0.00942 206 3S -0.38072 0.19340 0.89542 -0.12857 0.09855 207 3PX 0.16165 -0.04973 0.07982 -0.00346 0.06431 208 3PY -0.19043 0.06047 0.41297 -0.08390 0.01836 209 3PZ 0.24716 -0.03353 0.09992 0.21989 -0.01586 210 4XX 0.10318 0.01387 -0.06177 0.09560 0.01565 211 4YY -0.16414 0.01695 0.01038 -0.15445 -0.05509 212 4ZZ 0.13202 -0.02868 -0.11448 0.06219 0.01882 213 4XY 0.35473 -0.07347 0.11527 0.21698 0.03271 214 4XZ 0.08506 0.00651 -0.08520 0.05938 -0.00644 215 4YZ 0.51599 -0.11094 0.16210 0.32134 0.00432 191 192 193 194 195 V V V V V Eigenvalues -- 2.66452 2.69005 2.71291 2.76348 2.84391 1 1 C 1S -0.07859 0.01440 0.04716 0.01079 0.04271 2 2S -0.32601 -0.00956 0.50539 0.22195 0.36114 3 2PX 0.11740 -0.10116 -0.07085 0.04982 -0.01170 4 2PY 0.09626 0.01313 0.02166 0.06304 0.06920 5 2PZ 0.00941 0.10248 0.00978 -0.01007 0.07496 6 3S 2.78754 -0.42104 -2.34282 -0.41846 -1.98878 7 3PX 0.38390 -0.37855 -0.23157 0.08658 -0.24467 8 3PY 1.49253 -0.02400 -1.09666 -0.41748 -1.13911 9 3PZ -0.16738 0.33676 0.42954 0.17054 0.42967 10 4XX -0.19191 -0.01211 -0.02050 -0.05487 -0.10065 11 4YY 0.23548 -0.32486 -0.08421 0.01781 0.03132 12 4ZZ -0.01687 0.35477 0.00724 0.01043 0.06076 13 4XY -0.00198 -0.43378 0.00931 0.07472 0.01193 14 4XZ -0.33545 -0.05444 0.11797 -0.09363 -0.01434 15 4YZ 0.20580 0.38719 -0.02343 0.04627 0.07267 16 2 C 1S 0.02263 -0.02361 -0.03194 0.00643 -0.02232 17 2S 0.27897 0.02058 -0.20441 0.06514 -0.23106 18 2PX 0.06993 -0.04455 -0.04615 0.00488 -0.03003 19 2PY 0.14629 0.06372 0.04478 0.03585 0.02090 20 2PZ -0.05374 0.06334 0.02899 -0.00711 0.02052 21 3S -2.36558 0.65809 2.46781 0.08481 2.34364 22 3PX 1.09084 -0.25693 -0.95089 -0.01531 -0.89131 23 3PY -0.41948 -0.18705 0.63329 0.04358 0.72030 24 3PZ -0.83040 0.19454 0.61822 0.00352 0.59659 25 4XX -0.26869 0.12305 0.04960 -0.05287 0.02637 26 4YY 0.29440 -0.22239 0.06925 0.05603 0.05167 27 4ZZ -0.01554 0.11138 -0.09913 -0.00283 -0.01235 28 4XY -0.12948 -0.13504 0.05083 0.00410 -0.01015 29 4XZ 0.23958 -0.33711 -0.10202 0.07609 -0.07714 30 4YZ -0.02076 0.06484 -0.01379 0.01950 -0.00958 31 3 C 1S -0.02263 -0.02361 0.03194 -0.00643 0.02232 32 2S -0.27897 0.02058 0.20441 -0.06514 0.23106 33 2PX -0.06992 -0.04455 0.04615 -0.00488 0.03003 34 2PY 0.14629 -0.06372 0.04478 0.03585 0.02090 35 2PZ 0.05374 0.06334 -0.02899 0.00711 -0.02052 36 3S 2.36556 0.65810 -2.46781 -0.08481 -2.34365 37 3PX -1.09083 -0.25693 0.95089 0.01531 0.89131 38 3PY -0.41948 0.18705 0.63328 0.04358 0.72029 39 3PZ 0.83039 0.19455 -0.61822 -0.00352 -0.59659 40 4XX 0.26869 0.12305 -0.04960 0.05287 -0.02637 41 4YY -0.29440 -0.22239 -0.06925 -0.05603 -0.05167 42 4ZZ 0.01554 0.11138 0.09913 0.00283 0.01235 43 4XY -0.12948 0.13504 0.05083 0.00410 -0.01015 44 4XZ -0.23957 -0.33711 0.10202 -0.07609 0.07714 45 4YZ -0.02076 -0.06484 -0.01379 0.01950 -0.00958 46 4 C 1S 0.07859 0.01440 -0.04716 -0.01079 -0.04271 47 2S 0.32601 -0.00956 -0.50539 -0.22195 -0.36113 48 2PX -0.11739 -0.10116 0.07085 -0.04982 0.01170 49 2PY 0.09626 -0.01313 0.02166 0.06304 0.06920 50 2PZ -0.00941 0.10247 -0.00978 0.01007 -0.07496 51 3S -2.78751 -0.42105 2.34282 0.41847 1.98878 52 3PX -0.38389 -0.37855 0.23157 -0.08658 0.24467 53 3PY 1.49253 0.02401 -1.09666 -0.41749 -1.13912 54 3PZ 0.16736 0.33675 -0.42954 -0.17054 -0.42966 55 4XX 0.19192 -0.01211 0.02050 0.05487 0.10065 56 4YY -0.23548 -0.32487 0.08421 -0.01781 -0.03132 57 4ZZ 0.01687 0.35477 -0.00724 -0.01043 -0.06076 58 4XY -0.00199 0.43378 0.00931 0.07471 0.01193 59 4XZ 0.33544 -0.05444 -0.11797 0.09363 0.01434 60 4YZ 0.20580 -0.38719 -0.02343 0.04627 0.07267 61 5 H 1S -0.06523 0.31013 0.02829 -0.03061 -0.03787 62 2S 0.45076 -0.17160 -0.26443 -0.16759 -0.28065 63 6 H 1S 0.00306 -0.19316 0.00462 0.02283 0.00085 64 2S -0.27104 0.09525 0.24785 -0.00177 0.28304 65 7 H 1S -0.00306 -0.19316 -0.00462 -0.02283 -0.00085 66 2S 0.27103 0.09526 -0.24785 0.00177 -0.28304 67 8 H 1S 0.06523 0.31013 -0.02829 0.03061 0.03787 68 2S -0.45076 -0.17160 0.26443 0.16759 0.28066 69 9 C 1S 0.00000 0.03242 0.00000 0.00000 0.00000 70 2S 0.00000 -0.09915 0.00000 0.00000 0.00000 71 2PX 0.00000 -0.02397 0.00000 0.00000 0.00000 72 2PY 0.33626 0.00000 -0.16601 -0.01477 -0.07792 73 2PZ 0.00000 0.12064 0.00000 0.00000 0.00000 74 3S 0.00000 -0.44716 0.00000 0.00000 0.00000 75 3PX 0.00000 -0.09207 0.00000 0.00000 0.00000 76 3PY 0.91936 0.00000 -0.37736 -0.00653 -0.15434 77 3PZ 0.00000 0.00699 0.00000 0.00000 0.00000 78 4XX 0.00000 0.43685 0.00000 0.00000 0.00000 79 4YY 0.00000 -0.63244 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.25583 0.00000 0.00000 0.00000 81 4XY 0.28435 0.00000 -0.03340 0.04172 -0.00413 82 4XZ 0.00000 -0.24563 0.00000 0.00000 0.00000 83 4YZ -0.64186 0.00000 0.18009 -0.05773 -0.05715 84 10 H 1S 0.00000 -0.26765 0.00000 0.00000 0.00000 85 2S 0.00000 0.08848 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00816 0.00000 0.00000 0.00000 87 2S 0.00000 0.07802 0.00000 0.00000 0.00000 88 12 C 1S -0.01441 -0.00486 0.02077 0.05520 0.11595 89 2S -0.02728 0.00991 0.65140 0.72312 1.04750 90 2PX 0.04444 -0.02377 0.00926 0.09813 0.05265 91 2PY 0.00948 0.01082 -0.23161 0.08844 0.18931 92 2PZ 0.00881 0.02139 0.02359 0.02981 0.07544 93 3S 1.12984 0.16301 -2.31745 -4.98346 -7.01247 94 3PX -0.52419 -0.03867 1.04504 0.72706 2.33633 95 3PY -0.43562 0.05069 -0.33580 2.26006 0.48647 96 3PZ 0.54458 0.01125 -1.23979 -1.13057 -2.39509 97 4XX 0.14272 0.01349 -0.37940 0.02290 -0.05620 98 4YY -0.06872 0.00684 0.47552 -0.22769 -0.43946 99 4ZZ -0.13166 -0.03247 -0.21770 -0.01455 0.28085 100 4XY 0.01431 -0.01588 0.17291 -0.31489 0.37173 101 4XZ 0.12207 -0.02429 0.22820 0.18793 0.31442 102 4YZ 0.06486 0.01135 -0.02078 0.39904 -0.15382 103 13 C 1S 0.01441 -0.00486 -0.02077 -0.05520 -0.11595 104 2S 0.02728 0.00991 -0.65140 -0.72311 -1.04750 105 2PX -0.04444 -0.02378 -0.00926 -0.09813 -0.05265 106 2PY 0.00948 -0.01082 -0.23161 0.08844 0.18931 107 2PZ -0.00881 0.02139 -0.02359 -0.02981 -0.07544 108 3S -1.12984 0.16301 2.31744 4.98345 7.01247 109 3PX 0.52419 -0.03867 -1.04505 -0.72704 -2.33633 110 3PY -0.43562 -0.05069 -0.33579 2.26007 0.48649 111 3PZ -0.54458 0.01125 1.23979 1.13057 2.39509 112 4XX -0.14272 0.01349 0.37941 -0.02291 0.05621 113 4YY 0.06872 0.00684 -0.47552 0.22769 0.43945 114 4ZZ 0.13166 -0.03247 0.21770 0.01455 -0.28085 115 4XY 0.01432 0.01588 0.17290 -0.31489 0.37174 116 4XZ -0.12207 -0.02429 -0.22820 -0.18793 -0.31442 117 4YZ 0.06486 -0.01135 -0.02078 0.39905 -0.15382 118 14 C 1S -0.02628 0.00974 0.07489 0.07996 0.05701 119 2S -0.24754 0.08602 0.17172 0.75273 0.58518 120 2PX 0.04317 -0.00218 0.00082 0.11531 -0.28832 121 2PY 0.04521 0.00281 -0.26167 -0.16496 -0.25891 122 2PZ 0.04158 -0.00187 -0.01690 -0.10335 0.16459 123 3S 1.45192 -0.44768 -2.69072 -3.64996 -2.51490 124 3PX -0.12024 0.01467 -0.43120 0.56960 -2.83675 125 3PY 0.96179 -0.16026 -1.22252 -3.00434 -1.99220 126 3PZ 0.31178 -0.09745 0.08350 -0.75614 1.53875 127 4XX -0.08624 -0.04201 -0.00952 0.06787 -0.08090 128 4YY 0.13371 0.01521 -0.04900 -0.17039 -0.00436 129 4ZZ -0.04634 0.00849 0.13990 0.15811 0.11786 130 4XY -0.26386 0.03289 -0.12379 -0.02805 -0.21316 131 4XZ -0.12760 0.08445 0.21421 0.15114 0.07562 132 4YZ -0.18937 0.03356 -0.13097 -0.18077 0.08975 133 15 C 1S 0.04287 -0.00927 0.00386 -0.09482 0.02932 134 2S 0.12555 -0.03321 -0.25221 -0.45791 0.00442 135 2PX -0.02303 0.01777 0.01978 0.01802 0.04224 136 2PY -0.11364 -0.04632 -0.35038 0.28526 -0.09255 137 2PZ 0.03306 -0.01406 -0.01196 -0.02314 -0.04008 138 3S -2.31530 0.24162 0.55514 6.39728 0.33801 139 3PX -0.73104 0.11916 0.82849 2.28442 -0.28824 140 3PY -0.66886 -0.00685 -0.39663 1.89110 1.79787 141 3PZ 0.58001 -0.08283 -0.58611 -1.66334 0.41115 142 4XX 0.10976 -0.01659 0.32662 -0.11706 0.11871 143 4YY -0.20759 0.02543 -0.55831 0.51249 -0.15282 144 4ZZ 0.10682 -0.02884 0.18831 -0.33796 0.10850 145 4XY -0.03122 -0.03440 -0.37739 -0.07702 0.41386 146 4XZ 0.21164 -0.04064 -0.15092 -0.31754 0.08886 147 4YZ 0.13270 0.02233 0.25415 0.02166 -0.33395 148 16 C 1S -0.04287 -0.00927 -0.00386 0.09482 -0.02932 149 2S -0.12555 -0.03321 0.25221 0.45791 -0.00442 150 2PX 0.02303 0.01778 -0.01978 -0.01802 -0.04224 151 2PY -0.11364 0.04632 -0.35038 0.28526 -0.09255 152 2PZ -0.03306 -0.01406 0.01196 0.02314 0.04008 153 3S 2.31529 0.24162 -0.55514 -6.39727 -0.33801 154 3PX 0.73103 0.11917 -0.82849 -2.28440 0.28825 155 3PY -0.66886 0.00685 -0.39662 1.89113 1.79787 156 3PZ -0.58001 -0.08284 0.58611 1.66335 -0.41115 157 4XX -0.10975 -0.01659 -0.32662 0.11706 -0.11870 158 4YY 0.20759 0.02543 0.55831 -0.51249 0.15281 159 4ZZ -0.10682 -0.02884 -0.18831 0.33796 -0.10850 160 4XY -0.03121 0.03440 -0.37738 -0.07702 0.41387 161 4XZ -0.21164 -0.04064 0.15092 0.31754 -0.08886 162 4YZ 0.13271 -0.02233 0.25415 0.02166 -0.33395 163 17 C 1S 0.02628 0.00974 -0.07489 -0.07996 -0.05701 164 2S 0.24754 0.08602 -0.17172 -0.75273 -0.58518 165 2PX -0.04317 -0.00218 -0.00082 -0.11532 0.28832 166 2PY 0.04521 -0.00281 -0.26167 -0.16496 -0.25891 167 2PZ -0.04158 -0.00187 0.01690 0.10335 -0.16459 168 3S -1.45191 -0.44768 2.69072 3.64996 2.51490 169 3PX 0.12026 0.01468 0.43118 -0.56963 2.83672 170 3PY 0.96179 0.16026 -1.22252 -3.00433 -1.99222 171 3PZ -0.31178 -0.09746 -0.08350 0.75614 -1.53874 172 4XX 0.08624 -0.04201 0.00952 -0.06787 0.08090 173 4YY -0.13371 0.01521 0.04900 0.17039 0.00437 174 4ZZ 0.04634 0.00849 -0.13990 -0.15811 -0.11787 175 4XY -0.26387 -0.03289 -0.12379 -0.02805 -0.21316 176 4XZ 0.12760 0.08444 -0.21422 -0.15114 -0.07562 177 4YZ -0.18937 -0.03356 -0.13097 -0.18077 0.08975 178 18 H 1S 0.17236 -0.00007 0.03246 0.27453 -0.05894 179 2S 0.12067 -0.03859 -0.17902 -0.47035 -0.46885 180 19 H 1S -0.17236 -0.00007 -0.03246 -0.27453 0.05894 181 2S -0.12067 -0.03859 0.17903 0.47035 0.46886 182 20 H 1S 0.08878 0.00524 0.16914 0.02455 -0.11629 183 2S -0.26191 0.03028 0.06935 0.71424 0.18928 184 21 H 1S -0.08878 0.00524 -0.16914 -0.02455 0.11629 185 2S 0.26191 0.03028 -0.06935 -0.71424 -0.18928 186 22 O 1S 0.00146 0.00043 0.00432 0.01343 0.00854 187 2S 0.11839 -0.03132 -0.24821 -0.47163 -0.36363 188 2PX 0.01143 -0.00524 0.00232 -0.02928 0.07337 189 2PY -0.02875 0.01585 0.04244 0.09051 0.01488 190 2PZ -0.00603 -0.00854 -0.00031 0.02262 -0.04332 191 3S -0.39020 0.04208 0.52987 1.36794 1.12675 192 3PX 0.04228 0.01609 -0.00024 0.23199 -0.49648 193 3PY 0.11140 -0.03158 -0.16802 -0.38990 -0.43065 194 3PZ 0.14428 0.05204 0.06763 -0.08245 0.36568 195 4XX 0.05018 0.00523 0.00652 -0.02819 -0.10732 196 4YY -0.11321 -0.00665 0.08299 0.22723 0.32709 197 4ZZ 0.07496 -0.00283 -0.04445 -0.05055 -0.05434 198 4XY -0.20447 -0.02117 -0.09638 -0.15966 0.14707 199 4XZ 0.01467 -0.00200 -0.01786 0.05336 0.02030 200 4YZ -0.21216 -0.05428 -0.09340 -0.02155 -0.17002 201 23 O 1S -0.00146 0.00043 -0.00432 -0.01343 -0.00854 202 2S -0.11838 -0.03132 0.24821 0.47163 0.36363 203 2PX -0.01143 -0.00524 -0.00232 0.02928 -0.07337 204 2PY -0.02875 -0.01585 0.04245 0.09051 0.01488 205 2PZ 0.00603 -0.00854 0.00031 -0.02262 0.04332 206 3S 0.39019 0.04208 -0.52988 -1.36795 -1.12676 207 3PX -0.04228 0.01609 0.00024 -0.23200 0.49648 208 3PY 0.11139 0.03159 -0.16802 -0.38990 -0.43066 209 3PZ -0.14428 0.05204 -0.06763 0.08245 -0.36568 210 4XX -0.05019 0.00523 -0.00652 0.02819 0.10733 211 4YY 0.11321 -0.00665 -0.08299 -0.22723 -0.32709 212 4ZZ -0.07496 -0.00283 0.04446 0.05055 0.05434 213 4XY -0.20446 0.02117 -0.09638 -0.15966 0.14707 214 4XZ -0.01467 -0.00200 0.01786 -0.05336 -0.02030 215 4YZ -0.21216 0.05428 -0.09340 -0.02155 -0.17003 196 197 198 199 200 V V V V V Eigenvalues -- 2.92097 2.95086 2.96445 2.97527 3.02389 1 1 C 1S 0.00617 -0.00083 -0.00196 -0.00149 0.02406 2 2S 0.25584 -0.25139 0.01423 -0.12697 0.04538 3 2PX 0.24762 -0.05315 0.00563 0.01206 -0.00705 4 2PY 0.01968 -0.02913 0.01388 -0.01339 0.02462 5 2PZ -0.24774 0.05059 -0.00120 0.01614 0.07080 6 3S -0.11847 0.53938 -0.01296 0.22780 -1.03722 7 3PX 0.75774 0.11510 -0.09638 -0.12089 -0.33030 8 3PY -0.58500 0.28923 -0.07598 0.13783 -0.66236 9 3PZ -0.79544 -0.22019 0.05183 0.01223 0.27511 10 4XX 0.32469 -0.18189 -0.00258 0.02235 -0.07090 11 4YY -0.33280 0.35667 0.00946 0.02870 0.10432 12 4ZZ 0.01796 -0.10764 -0.02467 0.00606 0.02449 13 4XY 0.33388 0.28844 -0.00277 -0.01282 0.03557 14 4XZ -0.25635 0.19513 0.00318 0.02009 0.03771 15 4YZ -0.43959 -0.26598 0.01413 0.00774 0.02523 16 2 C 1S -0.00096 0.00148 -0.00228 0.00120 -0.01317 17 2S -0.02269 0.16262 0.04260 -0.04503 -0.19253 18 2PX 0.20146 0.02355 -0.01374 0.00241 -0.01392 19 2PY 0.39184 0.09145 0.00167 -0.00766 0.00935 20 2PZ -0.14936 -0.01577 0.00199 0.00203 0.01282 21 3S 0.42207 -0.60181 0.06031 0.02993 1.55274 22 3PX 0.53019 0.31194 -0.01306 0.00170 -0.62292 23 3PY 1.22595 -0.10701 -0.01159 -0.02086 0.42962 24 3PZ -0.32413 -0.16970 0.03100 0.00458 0.43940 25 4XX -0.43168 -0.16335 -0.00725 0.01155 0.03708 26 4YY 0.68329 0.28321 -0.01385 0.01234 0.05182 27 4ZZ -0.22008 -0.11772 -0.00733 0.01192 -0.00202 28 4XY -0.26937 0.63438 -0.00096 0.01213 0.08508 29 4XZ 0.35856 0.16551 -0.01120 -0.00424 -0.05032 30 4YZ 0.24757 -0.51316 0.00229 -0.01265 -0.08084 31 3 C 1S 0.00096 -0.00148 -0.00228 0.00120 0.01317 32 2S 0.02269 -0.16262 0.04260 -0.04503 0.19253 33 2PX -0.20146 -0.02355 -0.01373 0.00241 0.01392 34 2PY 0.39184 0.09145 -0.00167 0.00766 0.00935 35 2PZ 0.14936 0.01577 0.00199 0.00203 -0.01282 36 3S -0.42206 0.60181 0.06030 0.02991 -1.55274 37 3PX -0.53019 -0.31194 -0.01305 0.00171 0.62292 38 3PY 1.22595 -0.10701 0.01160 0.02086 0.42961 39 3PZ 0.32412 0.16970 0.03099 0.00458 -0.43940 40 4XX 0.43168 0.16335 -0.00725 0.01155 -0.03708 41 4YY -0.68328 -0.28321 -0.01385 0.01235 -0.05182 42 4ZZ 0.22007 0.11772 -0.00733 0.01192 0.00202 43 4XY -0.26937 0.63438 0.00096 -0.01214 0.08508 44 4XZ -0.35856 -0.16551 -0.01120 -0.00424 0.05032 45 4YZ 0.24757 -0.51316 -0.00230 0.01265 -0.08084 46 4 C 1S -0.00617 0.00083 -0.00196 -0.00149 -0.02406 47 2S -0.25584 0.25139 0.01423 -0.12698 -0.04538 48 2PX -0.24762 0.05315 0.00563 0.01206 0.00705 49 2PY 0.01968 -0.02913 -0.01388 0.01340 0.02461 50 2PZ 0.24774 -0.05059 -0.00120 0.01614 -0.07080 51 3S 0.11847 -0.53938 -0.01295 0.22781 1.03722 52 3PX -0.75775 -0.11509 -0.09638 -0.12089 0.33030 53 3PY -0.58500 0.28923 0.07597 -0.13784 -0.66237 54 3PZ 0.79545 0.22019 0.05183 0.01222 -0.27511 55 4XX -0.32469 0.18189 -0.00258 0.02235 0.07090 56 4YY 0.33279 -0.35668 0.00946 0.02870 -0.10432 57 4ZZ -0.01795 0.10764 -0.02467 0.00606 -0.02449 58 4XY 0.33388 0.28844 0.00278 0.01282 0.03557 59 4XZ 0.25635 -0.19514 0.00317 0.02009 -0.03771 60 4YZ -0.43960 -0.26598 -0.01413 -0.00773 0.02523 61 5 H 1S 0.00210 -0.23250 -0.01784 -0.02452 -0.09871 62 2S -0.08643 0.19747 -0.03591 0.06580 -0.13717 63 6 H 1S -0.04324 0.37830 -0.00429 0.00300 0.05064 64 2S 0.06813 -0.24525 0.00915 -0.00884 0.17277 65 7 H 1S 0.04324 -0.37830 -0.00429 0.00301 -0.05063 66 2S -0.06813 0.24524 0.00915 -0.00884 -0.17277 67 8 H 1S -0.00210 0.23250 -0.01784 -0.02453 0.09871 68 2S 0.08643 -0.19747 -0.03591 0.06580 0.13717 69 9 C 1S 0.00000 0.00000 -0.00015 0.00803 0.00000 70 2S 0.00000 0.00000 0.05708 0.05514 0.00000 71 2PX 0.00000 0.00000 -0.00897 -0.00610 0.00000 72 2PY -0.28536 -0.09009 0.00000 0.00000 -0.04114 73 2PZ 0.00000 0.00000 0.00049 0.02631 0.00000 74 3S 0.00000 0.00000 -0.09002 -0.44299 0.00000 75 3PX 0.00000 0.00000 0.08797 -0.00003 0.00000 76 3PY -1.00878 -0.08433 0.00000 0.00000 0.00547 77 3PZ 0.00000 0.00000 -0.00660 0.09149 0.00000 78 4XX 0.00000 0.00000 -0.00041 0.01119 0.00000 79 4YY 0.00000 0.00000 -0.03009 0.01065 0.00000 80 4ZZ 0.00000 0.00000 -0.00791 -0.02205 0.00000 81 4XY -0.23674 0.06539 0.00000 0.00000 -0.01938 82 4XZ 0.00000 0.00000 -0.00359 -0.00384 0.00000 83 4YZ 0.56268 0.17564 0.00000 0.00000 -0.03851 84 10 H 1S 0.00000 0.00000 -0.00410 0.00039 0.00000 85 2S 0.00000 0.00000 0.08139 0.06498 0.00000 86 11 H 1S 0.00000 0.00000 0.00182 0.02607 0.00000 87 2S 0.00000 0.00000 -0.01430 0.01947 0.00000 88 12 C 1S 0.01730 -0.01019 0.01643 -0.01465 0.07944 89 2S 0.16939 -0.16848 -0.16347 0.23714 0.58334 90 2PX -0.01272 -0.00056 0.12288 -0.05533 0.04679 91 2PY 0.02207 -0.00502 0.00487 -0.00147 0.03356 92 2PZ 0.01687 -0.00724 -0.08546 0.05340 0.02842 93 3S -1.11026 0.88442 0.05111 -0.06363 -4.65642 94 3PX 0.26394 -0.25117 0.09358 -0.10249 1.66788 95 3PY 0.50324 -0.07796 -0.01172 0.13877 0.89491 96 3PZ -0.36539 0.29797 -0.06517 -0.01351 -1.52891 97 4XX 0.01174 0.04836 -0.14253 0.07215 -0.05100 98 4YY -0.07440 -0.00537 0.14384 -0.15230 -0.19571 99 4ZZ 0.02581 0.00231 -0.00380 -0.01379 0.18706 100 4XY 0.04940 -0.00841 0.10840 -0.08393 0.10072 101 4XZ -0.00249 -0.01268 0.16633 -0.13731 0.23770 102 4YZ -0.00307 0.00407 -0.08551 0.04942 -0.05191 103 13 C 1S -0.01730 0.01019 0.01643 -0.01465 -0.07944 104 2S -0.16939 0.16849 -0.16347 0.23713 -0.58334 105 2PX 0.01272 0.00056 0.12288 -0.05533 -0.04679 106 2PY 0.02207 -0.00502 -0.00487 0.00147 0.03356 107 2PZ -0.01687 0.00724 -0.08546 0.05340 -0.02842 108 3S 1.11026 -0.88442 0.05111 -0.06359 4.65642 109 3PX -0.26394 0.25117 0.09358 -0.10250 -1.66788 110 3PY 0.50324 -0.07797 0.01172 -0.13876 0.89492 111 3PZ 0.36539 -0.29797 -0.06517 -0.01350 1.52891 112 4XX -0.01174 -0.04836 -0.14253 0.07215 0.05100 113 4YY 0.07440 0.00537 0.14384 -0.15230 0.19571 114 4ZZ -0.02582 -0.00231 -0.00380 -0.01379 -0.18706 115 4XY 0.04940 -0.00841 -0.10840 0.08393 0.10072 116 4XZ 0.00249 0.01268 0.16633 -0.13732 -0.23770 117 4YZ -0.00307 0.00407 0.08551 -0.04942 -0.05191 118 14 C 1S -0.00341 -0.01327 -0.00921 -0.00487 0.05003 119 2S -0.14763 0.05538 -0.34966 -0.76269 -0.49317 120 2PX -0.04448 -0.00426 0.12099 0.03665 0.04914 121 2PY 0.06223 -0.07701 0.39909 0.78621 0.72862 122 2PZ 0.02147 0.00353 -0.02074 0.08817 0.08255 123 3S 0.05515 0.87931 -0.57607 -1.29956 -4.91117 124 3PX -0.16925 0.08051 -0.11252 0.09043 -0.74334 125 3PY -0.22622 0.38664 0.43765 0.75379 -1.04012 126 3PZ 0.17803 -0.01894 0.08560 0.01591 0.25243 127 4XX 0.02357 -0.03128 0.19898 0.22019 0.19137 128 4YY -0.00172 0.06244 -0.30996 -0.52255 -0.54883 129 4ZZ 0.01846 -0.05864 0.07119 0.31358 0.39251 130 4XY -0.05393 -0.01435 0.59994 -0.39044 -0.15603 131 4XZ -0.01150 -0.04146 0.00684 0.03621 0.21677 132 4YZ 0.00988 0.03463 -0.46762 0.16708 -0.07169 133 15 C 1S 0.00608 0.01093 -0.00847 0.00555 -0.04850 134 2S 0.06080 0.09063 0.16181 -0.03763 -0.31907 135 2PX 0.00568 -0.00221 0.11398 -0.05891 -0.00561 136 2PY 0.00158 0.00806 0.02147 0.00745 0.01888 137 2PZ 0.00063 0.00508 -0.08080 0.04456 -0.01560 138 3S -0.09287 -0.85339 -0.05857 0.08477 3.43989 139 3PX -0.16867 -0.35043 0.03382 -0.04597 1.32992 140 3PY 0.21108 -0.31757 -0.15723 -0.10768 1.38908 141 3PZ 0.08370 0.25622 -0.02451 0.02493 -0.89254 142 4XX -0.02448 -0.01506 0.17261 -0.03622 0.00504 143 4YY 0.00466 -0.00736 -0.18499 0.02444 0.10960 144 4ZZ 0.01061 0.00880 0.07160 -0.00766 -0.09934 145 4XY 0.02840 0.02064 -0.11460 0.04215 -0.01568 146 4XZ 0.04261 0.05499 -0.18264 0.05972 -0.16230 147 4YZ -0.03221 -0.01065 0.07493 -0.03364 -0.01752 148 16 C 1S -0.00608 -0.01093 -0.00847 0.00555 0.04850 149 2S -0.06080 -0.09063 0.16181 -0.03763 0.31907 150 2PX -0.00568 0.00221 0.11398 -0.05891 0.00561 151 2PY 0.00158 0.00806 -0.02147 -0.00745 0.01888 152 2PZ -0.00063 -0.00508 -0.08080 0.04456 0.01560 153 3S 0.09288 0.85339 -0.05857 0.08476 -3.43989 154 3PX 0.16867 0.35043 0.03382 -0.04598 -1.32991 155 3PY 0.21108 -0.31758 0.15723 0.10769 1.38909 156 3PZ -0.08370 -0.25622 -0.02451 0.02493 0.89253 157 4XX 0.02448 0.01506 0.17261 -0.03622 -0.00504 158 4YY -0.00466 0.00736 -0.18499 0.02444 -0.10960 159 4ZZ -0.01061 -0.00880 0.07160 -0.00766 0.09934 160 4XY 0.02840 0.02064 0.11460 -0.04215 -0.01568 161 4XZ -0.04261 -0.05499 -0.18264 0.05972 0.16230 162 4YZ -0.03221 -0.01065 -0.07493 0.03364 -0.01752 163 17 C 1S 0.00341 0.01327 -0.00921 -0.00487 -0.05003 164 2S 0.14763 -0.05539 -0.34966 -0.76269 0.49317 165 2PX 0.04448 0.00426 0.12099 0.03664 -0.04913 166 2PY 0.06223 -0.07701 -0.39909 -0.78622 0.72863 167 2PZ -0.02147 -0.00353 -0.02074 0.08817 -0.08255 168 3S -0.05516 -0.87932 -0.57606 -1.29954 4.91117 169 3PX 0.16925 -0.08051 -0.11253 0.09043 0.74333 170 3PY -0.22623 0.38664 -0.43764 -0.75381 -1.04012 171 3PZ -0.17803 0.01894 0.08560 0.01590 -0.25242 172 4XX -0.02357 0.03129 0.19896 0.22019 -0.19137 173 4YY 0.00172 -0.06245 -0.30994 -0.52256 0.54883 174 4ZZ -0.01846 0.05864 0.07119 0.31358 -0.39251 175 4XY -0.05392 -0.01435 -0.59995 0.39043 -0.15602 176 4XZ 0.01150 0.04147 0.00685 0.03621 -0.21677 177 4YZ 0.00988 0.03463 0.46762 -0.16708 -0.07169 178 18 H 1S -0.03807 0.00727 -0.01428 0.00005 -0.03272 179 2S -0.14202 0.01596 -0.04997 0.05387 -0.45108 180 19 H 1S 0.03807 -0.00727 -0.01428 0.00005 0.03272 181 2S 0.14202 -0.01596 -0.04997 0.05387 0.45109 182 20 H 1S 0.00536 -0.01438 -0.02178 -0.01829 0.03091 183 2S -0.00954 -0.12824 0.04404 -0.03413 0.50481 184 21 H 1S -0.00536 0.01438 -0.02178 -0.01829 -0.03091 185 2S 0.00954 0.12824 0.04404 -0.03413 -0.50481 186 22 O 1S 0.00267 -0.00542 -0.00322 -0.00869 0.01459 187 2S 0.00327 -0.02054 -0.27724 -0.53218 0.52764 188 2PX 0.00805 0.00154 0.02239 0.00775 0.00406 189 2PY 0.00289 -0.02403 -0.09268 -0.19834 0.18526 190 2PZ -0.00700 -0.00172 -0.00454 0.02388 -0.01508 191 3S 0.06408 0.10067 1.00758 1.98524 -1.83172 192 3PX -0.03065 0.02259 0.29549 0.00925 -0.24482 193 3PY 0.04091 -0.11967 -0.57831 -1.17728 1.29047 194 3PZ 0.04736 0.00394 -0.11078 0.15650 -0.04675 195 4XX 0.04287 -0.05677 -0.09427 -0.35898 0.34950 196 4YY -0.07765 0.10500 0.45433 0.98402 -0.97757 197 4ZZ 0.04690 -0.05913 -0.19490 -0.30752 0.35905 198 4XY 0.00272 -0.03003 -0.49949 0.05829 0.17019 199 4XZ 0.01308 0.00321 0.01661 0.01490 0.00664 200 4YZ -0.01214 -0.00134 0.23827 -0.25809 0.10023 201 23 O 1S -0.00267 0.00542 -0.00322 -0.00869 -0.01459 202 2S -0.00327 0.02053 -0.27725 -0.53217 -0.52763 203 2PX -0.00805 -0.00154 0.02239 0.00776 -0.00406 204 2PY 0.00289 -0.02403 0.09268 0.19834 0.18526 205 2PZ 0.00700 0.00172 -0.00454 0.02388 0.01508 206 3S -0.06407 -0.10065 1.00758 1.98523 1.83172 207 3PX 0.03065 -0.02259 0.29550 0.00926 0.24484 208 3PY 0.04092 -0.11966 0.57831 1.17728 1.29047 209 3PZ -0.04736 -0.00394 -0.11078 0.15650 0.04675 210 4XX -0.04287 0.05677 -0.09426 -0.35898 -0.34950 211 4YY 0.07765 -0.10499 0.45432 0.98402 0.97756 212 4ZZ -0.04690 0.05913 -0.19490 -0.30752 -0.35906 213 4XY 0.00272 -0.03004 0.49950 -0.05827 0.17021 214 4XZ -0.01308 -0.00321 0.01660 0.01490 -0.00664 215 4YZ -0.01214 -0.00134 -0.23827 0.25809 0.10023 201 202 203 204 205 V V V V V Eigenvalues -- 3.18323 3.25169 4.03095 4.03775 4.10316 1 1 C 1S -0.00636 -0.01704 0.06055 0.05855 0.00147 2 2S -0.00493 -0.00452 -0.49619 -0.44062 -0.04525 3 2PX -0.02201 -0.01379 0.03229 0.06949 0.01665 4 2PY -0.01992 -0.01427 0.01830 0.01941 0.00620 5 2PZ -0.00433 -0.02555 -0.01069 -0.02555 -0.00565 6 3S 0.04314 0.44539 -0.14076 -0.23811 0.23553 7 3PX -0.00099 0.06250 -0.33443 -0.25885 0.04883 8 3PY 0.19718 0.29886 -0.05778 -0.05495 0.26495 9 3PZ 0.01454 -0.09938 0.09297 0.12846 0.02383 10 4XX -0.00908 -0.00187 0.27891 0.26485 0.03727 11 4YY -0.02011 -0.03898 0.27929 0.26052 0.02927 12 4ZZ -0.00824 -0.04276 0.23790 0.23255 0.01095 13 4XY -0.03607 -0.01334 -0.02002 0.00764 0.00995 14 4XZ 0.01423 0.01849 0.03331 -0.01445 -0.04701 15 4YZ -0.00236 -0.02012 0.00608 -0.01102 0.00384 16 2 C 1S -0.00384 -0.00040 0.00938 -0.05515 -0.05201 17 2S -0.06350 0.09073 -0.03818 0.36416 0.36514 18 2PX -0.00126 -0.00478 0.00187 0.01727 0.02199 19 2PY -0.00282 -0.00845 0.00607 0.01979 0.03136 20 2PZ 0.00574 -0.00528 -0.01913 -0.02086 -0.01903 21 3S 0.08792 -0.50289 0.14347 0.35492 0.03344 22 3PX -0.05548 0.21454 -0.06181 -0.05264 0.06620 23 3PY -0.03810 -0.14053 -0.08561 -0.05162 -0.05498 24 3PZ -0.03042 -0.12494 0.15929 0.07758 -0.04082 25 4XX 0.03122 -0.02140 0.01634 -0.24883 -0.23496 26 4YY -0.01086 -0.02502 0.02814 -0.19534 -0.19143 27 4ZZ -0.00058 -0.02098 0.03179 -0.22167 -0.20907 28 4XY -0.01571 0.00614 0.00891 -0.01544 -0.00322 29 4XZ -0.01563 0.01532 0.00955 0.01450 0.01452 30 4YZ -0.00224 -0.00081 0.00132 0.00642 0.00944 31 3 C 1S 0.00384 0.00040 -0.00938 -0.05515 -0.05201 32 2S 0.06350 -0.09073 0.03824 0.36415 0.36515 33 2PX 0.00126 0.00478 -0.00187 0.01727 0.02199 34 2PY -0.00282 -0.00845 0.00606 -0.01979 -0.03136 35 2PZ -0.00574 0.00528 0.01913 -0.02086 -0.01903 36 3S -0.08792 0.50289 -0.14341 0.35494 0.03344 37 3PX 0.05548 -0.21454 0.06181 -0.05265 0.06621 38 3PY -0.03810 -0.14053 -0.08560 0.05163 0.05498 39 3PZ 0.03042 0.12494 -0.15928 0.07760 -0.04083 40 4XX -0.03122 0.02140 -0.01638 -0.24882 -0.23496 41 4YY 0.01086 0.02502 -0.02817 -0.19533 -0.19143 42 4ZZ 0.00058 0.02099 -0.03183 -0.22166 -0.20907 43 4XY -0.01571 0.00614 0.00892 0.01544 0.00323 44 4XZ 0.01563 -0.01532 -0.00955 0.01451 0.01452 45 4YZ -0.00224 -0.00081 0.00131 -0.00642 -0.00944 46 4 C 1S 0.00636 0.01704 -0.06054 0.05855 0.00147 47 2S 0.00493 0.00452 0.49612 -0.44070 -0.04524 48 2PX 0.02201 0.01379 -0.03228 0.06950 0.01665 49 2PY -0.01992 -0.01427 0.01830 -0.01941 -0.00620 50 2PZ 0.00433 0.02555 0.01068 -0.02556 -0.00565 51 3S -0.04314 -0.44539 0.14072 -0.23814 0.23554 52 3PX 0.00100 -0.06250 0.33439 -0.25890 0.04883 53 3PY 0.19718 0.29886 -0.05777 0.05497 -0.26496 54 3PZ -0.01455 0.09938 -0.09295 0.12848 0.02383 55 4XX 0.00908 0.00187 -0.27887 0.26489 0.03727 56 4YY 0.02011 0.03898 -0.27925 0.26056 0.02927 57 4ZZ 0.00824 0.04276 -0.23786 0.23259 0.01095 58 4XY -0.03607 -0.01334 -0.02002 -0.00764 -0.00995 59 4XZ -0.01423 -0.01849 -0.03331 -0.01445 -0.04701 60 4YZ -0.00236 -0.02012 0.00608 0.01102 -0.00384 61 5 H 1S 0.02989 0.01885 -0.06601 -0.05341 0.02272 62 2S 0.07307 0.09197 0.02147 0.03916 0.08205 63 6 H 1S -0.02009 0.00622 0.00355 0.01343 0.01457 64 2S -0.01245 -0.06723 0.02591 -0.02956 -0.06391 65 7 H 1S 0.02009 -0.00622 -0.00355 0.01343 0.01456 66 2S 0.01245 0.06723 -0.02592 -0.02956 -0.06391 67 8 H 1S -0.02989 -0.01885 0.06600 -0.05342 0.02272 68 2S -0.07308 -0.09197 -0.02146 0.03916 0.08205 69 9 C 1S 0.00000 0.00000 0.00000 0.04835 0.01792 70 2S 0.00000 0.00000 -0.00001 -0.15096 0.00923 71 2PX 0.00000 0.00000 0.00000 -0.00591 -0.01909 72 2PY 0.01448 0.01027 0.04840 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.05943 -0.03345 74 3S 0.00000 0.00000 -0.00003 -0.53077 -0.33132 75 3PX 0.00000 0.00000 0.00001 0.11294 -0.10908 76 3PY 0.03659 0.03983 0.07642 -0.00001 0.00000 77 3PZ 0.00000 0.00000 -0.00002 -0.17067 0.40790 78 4XX 0.00000 0.00000 0.00001 0.15899 0.05127 79 4YY 0.00000 0.00000 0.00001 0.10117 0.03516 80 4ZZ 0.00000 0.00000 0.00001 0.14501 0.01641 81 4XY 0.00738 0.00715 -0.01000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 -0.00523 0.03871 83 4YZ -0.00125 0.01656 -0.04466 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.06406 0.08039 85 2S 0.00000 0.00000 0.00003 0.34126 -0.30000 86 11 H 1S 0.00000 0.00000 0.00000 0.02076 -0.02251 87 2S 0.00000 0.00000 0.00001 0.13073 -0.09868 88 12 C 1S -0.01550 -0.06417 -0.04043 -0.05267 -0.11749 89 2S -0.17390 -0.14210 -0.14886 0.55521 0.77790 90 2PX 0.10054 -0.06789 -0.07649 0.04582 -0.04153 91 2PY -0.28366 -0.09134 0.01264 -0.06178 -0.03279 92 2PZ -0.08390 0.00578 -0.01263 0.00644 0.01236 93 3S 1.45823 2.77277 1.73402 -0.03500 0.21058 94 3PX 0.21257 -0.64861 -0.48502 0.27199 0.10693 95 3PY -1.13059 -0.78727 -0.70572 0.36668 0.14511 96 3PZ -0.00054 0.73639 0.71359 -0.31927 -0.07510 97 4XX -0.33172 -0.13652 0.03972 -0.32864 -0.43488 98 4YY 0.57069 0.37285 -0.05070 -0.23049 -0.43055 99 4ZZ -0.16091 -0.29488 -0.07038 -0.23832 -0.42808 100 4XY 0.13512 -0.40287 -0.07066 0.00017 -0.05224 101 4XZ 0.19850 -0.02459 -0.12274 0.09940 -0.00068 102 4YZ -0.13078 0.26349 0.02907 -0.02430 0.03327 103 13 C 1S 0.01550 0.06417 0.04043 -0.05267 -0.11749 104 2S 0.17390 0.14210 0.14893 0.55518 0.77790 105 2PX -0.10055 0.06789 0.07649 0.04581 -0.04153 106 2PY -0.28366 -0.09134 0.01265 0.06178 0.03279 107 2PZ 0.08390 -0.00578 0.01263 0.00644 0.01236 108 3S -1.45823 -2.77277 -1.73403 -0.03475 0.21057 109 3PX -0.21258 0.64860 0.48505 0.27191 0.10693 110 3PY -1.13059 -0.78728 -0.70578 -0.36658 -0.14511 111 3PZ 0.00054 -0.73639 -0.71364 -0.31916 -0.07510 112 4XX 0.33172 0.13652 -0.03976 -0.32863 -0.43488 113 4YY -0.57069 -0.37284 0.05067 -0.23049 -0.43055 114 4ZZ 0.16091 0.29488 0.07035 -0.23832 -0.42808 115 4XY 0.13511 -0.40288 -0.07066 -0.00016 0.05224 116 4XZ -0.19850 0.02459 0.12276 0.09938 -0.00068 117 4YZ -0.13078 0.26349 0.02908 0.02430 -0.03327 118 14 C 1S 0.00106 -0.05535 0.18114 0.09390 -0.17922 119 2S -0.04599 -0.18786 -1.50067 -0.93577 1.01671 120 2PX -0.10519 0.01077 0.05577 0.04125 -0.03298 121 2PY -0.00161 0.25208 -0.06937 -0.00232 0.12385 122 2PZ 0.06724 0.02445 -0.01955 0.00247 0.01304 123 3S 0.17842 2.13327 -0.41345 -1.75775 -0.11538 124 3PX -0.13493 0.14466 0.10395 0.11348 0.10372 125 3PY 0.09237 1.18026 1.97362 2.13428 0.54482 126 3PZ 0.15269 0.10971 0.13915 0.10081 0.07423 127 4XX -0.04678 0.36693 0.83172 0.50536 -0.57110 128 4YY 0.02629 -0.53512 0.94247 0.54700 -0.78520 129 4ZZ 0.06268 0.06218 0.78115 0.49328 -0.59572 130 4XY -0.62505 -0.00713 0.07689 0.04706 -0.05354 131 4XZ -0.02209 -0.42917 0.00010 -0.00044 -0.05676 132 4YZ 0.44287 -0.02427 -0.01007 -0.00900 0.00521 133 15 C 1S 0.00423 0.06234 0.16561 0.05046 -0.24532 134 2S -0.02551 -0.06270 -0.78656 -0.08235 1.65396 135 2PX -0.10230 -0.00890 -0.02277 0.01140 0.00620 136 2PY 0.33755 -0.17187 0.13955 0.05699 0.07743 137 2PZ 0.07742 0.02041 0.01152 0.00638 -0.02837 138 3S 0.85498 -2.68362 -2.23066 -0.20769 0.55955 139 3PX -0.22364 -0.85828 -0.66313 -0.40404 -0.10949 140 3PY 0.90232 -0.89083 -0.85327 -0.44941 -0.17011 141 3PZ 0.17368 0.58418 0.48285 0.25753 0.09878 142 4XX -0.26909 0.29452 0.51968 0.10494 -0.94887 143 4YY 0.54264 -0.41443 0.68755 0.10750 -0.92289 144 4ZZ -0.15616 0.26532 0.56490 0.16223 -0.94123 145 4XY 0.19912 0.45349 0.03735 0.00846 -0.03382 146 4XZ 0.22526 0.00751 0.09959 0.09187 0.00515 147 4YZ -0.13063 -0.36202 -0.03805 -0.01093 0.03228 148 16 C 1S -0.00423 -0.06234 -0.16560 0.05049 -0.24532 149 2S 0.02551 0.06270 0.78654 -0.08248 1.65397 150 2PX 0.10230 0.00890 0.02277 0.01140 0.00620 151 2PY 0.33755 -0.17187 0.13955 -0.05701 -0.07743 152 2PZ -0.07742 -0.02041 -0.01152 0.00638 -0.02837 153 3S -0.85499 2.68362 2.23063 -0.20802 0.55958 154 3PX 0.22365 0.85828 0.66306 -0.40413 -0.10948 155 3PY 0.90232 -0.89084 -0.85321 0.44954 0.17010 156 3PZ -0.17368 -0.58418 -0.48281 0.25760 0.09877 157 4XX 0.26910 -0.29451 -0.51966 0.10503 -0.94887 158 4YY -0.54265 0.41442 -0.68753 0.10760 -0.92290 159 4ZZ 0.15616 -0.26532 -0.56487 0.16231 -0.94124 160 4XY 0.19911 0.45350 0.03734 -0.00846 0.03382 161 4XZ -0.22526 -0.00751 -0.09958 0.09188 0.00515 162 4YZ -0.13063 -0.36202 -0.03804 0.01093 -0.03228 163 17 C 1S -0.00106 0.05535 -0.18112 0.09393 -0.17922 164 2S 0.04599 0.18787 1.50051 -0.93599 1.01673 165 2PX 0.10519 -0.01077 -0.05577 0.04126 -0.03298 166 2PY -0.00161 0.25208 -0.06937 0.00233 -0.12385 167 2PZ -0.06724 -0.02445 0.01955 0.00247 0.01304 168 3S -0.17842 -2.13326 0.41319 -1.75783 -0.11537 169 3PX 0.13493 -0.14465 -0.10391 0.11347 0.10372 170 3PY 0.09236 1.18026 1.97330 -2.13457 -0.54481 171 3PZ -0.15268 -0.10971 -0.13913 0.10083 0.07423 172 4XX 0.04677 -0.36693 -0.83164 0.50548 -0.57111 173 4YY -0.02627 0.53512 -0.94238 0.54715 -0.78521 174 4ZZ -0.06268 -0.06218 -0.78106 0.49340 -0.59572 175 4XY -0.62505 -0.00712 0.07688 -0.04708 0.05354 176 4XZ 0.02210 0.42917 -0.00010 -0.00044 -0.05676 177 4YZ 0.44287 -0.02427 -0.01006 0.00900 -0.00520 178 18 H 1S -0.02744 0.17639 0.04235 -0.00218 0.04719 179 2S 0.05898 0.08389 0.21026 -0.24185 -0.16513 180 19 H 1S 0.02744 -0.17639 -0.04235 -0.00217 0.04719 181 2S -0.05898 -0.08389 -0.21030 -0.24182 -0.16513 182 20 H 1S -0.01272 -0.25452 -0.09246 -0.04825 0.10410 183 2S 0.02707 -0.13756 -0.15147 -0.24680 -0.30680 184 21 H 1S 0.01272 0.25452 0.09245 -0.04826 0.10410 185 2S -0.02707 0.13756 0.15144 -0.24682 -0.30680 186 22 O 1S 0.00282 -0.01657 0.25119 -0.36095 -0.07401 187 2S -0.02251 -0.11578 0.34507 -0.45186 -0.03412 188 2PX 0.00048 -0.02435 0.01818 -0.02082 0.01089 189 2PY 0.01199 0.21746 -0.22024 0.21990 -0.07798 190 2PZ -0.00478 -0.01946 0.01228 -0.01619 0.01298 191 3S -0.00215 -0.06865 -3.57136 5.07423 1.10477 192 3PX 0.25797 -0.00811 -0.08670 0.13047 0.01157 193 3PY -0.00912 0.01781 0.68513 -1.13542 -0.35465 194 3PZ -0.16526 0.02329 -0.03928 0.08935 -0.00216 195 4XX 0.07231 -0.01277 0.84276 -1.23999 -0.27326 196 4YY -0.01697 -0.26991 0.83148 -1.05240 -0.07153 197 4ZZ -0.03260 -0.04249 0.84000 -1.22200 -0.26118 198 4XY -0.39550 0.05199 0.02281 -0.03818 -0.01142 199 4XZ 0.00127 -0.07787 -0.01405 0.02559 0.01947 200 4YZ 0.27664 -0.00729 -0.00343 -0.01499 -0.00406 201 23 O 1S -0.00282 0.01657 -0.25125 -0.36091 -0.07401 202 2S 0.02251 0.11578 -0.34514 -0.45180 -0.03413 203 2PX -0.00048 0.02435 -0.01819 -0.02082 0.01089 204 2PY 0.01199 0.21746 -0.22027 -0.21987 0.07798 205 2PZ 0.00478 0.01946 -0.01228 -0.01619 0.01298 206 3S 0.00216 0.06865 3.57212 5.07369 1.10479 207 3PX -0.25797 0.00811 0.08673 0.13047 0.01158 208 3PY -0.00911 0.01781 0.68529 1.13531 0.35466 209 3PZ 0.16526 -0.02329 0.03929 0.08935 -0.00216 210 4XX -0.07232 0.01277 -0.84295 -1.23986 -0.27327 211 4YY 0.01698 0.26991 -0.83164 -1.05228 -0.07154 212 4ZZ 0.03260 0.04249 -0.84018 -1.22188 -0.26119 213 4XY -0.39550 0.05199 0.02282 0.03818 0.01143 214 4XZ -0.00126 0.07787 0.01406 0.02559 0.01947 215 4YZ 0.27664 -0.00729 -0.00342 0.01499 0.00406 206 207 208 209 210 V V V V V Eigenvalues -- 4.16793 4.22067 4.31874 4.35932 4.36358 1 1 C 1S -0.09384 -0.10991 0.22412 -0.17315 -0.00317 2 2S 0.52380 0.59345 -0.94590 0.74636 -0.07003 3 2PX 0.06637 -0.07419 -0.07053 0.00733 0.03626 4 2PY 0.01829 -0.02100 0.06017 -0.02789 0.02405 5 2PZ -0.02240 0.08374 -0.00659 0.04911 -0.00867 6 3S 0.32467 0.57233 -1.14177 0.85758 -0.07041 7 3PX 0.04816 0.14698 0.04864 -0.00176 -0.23594 8 3PY 0.17528 0.17000 -0.43676 0.16588 -0.06323 9 3PZ 0.02104 -0.13359 0.17105 -0.17352 0.13485 10 4XX -0.27027 -0.50013 0.75245 -0.59059 0.03019 11 4YY -0.35756 -0.34937 0.74098 -0.59798 0.03284 12 4ZZ -0.29455 -0.42381 0.77247 -0.56585 0.00788 13 4XY 0.04020 -0.07455 -0.03224 -0.02831 0.00579 14 4XZ -0.09416 0.02810 0.07406 0.01503 -0.02221 15 4YZ 0.01578 0.11699 0.05898 0.09768 -0.00442 16 2 C 1S -0.26187 0.20211 0.24076 -0.05899 -0.08103 17 2S 1.63602 -1.03723 -1.29088 0.40317 0.43804 18 2PX 0.05755 -0.10276 -0.03587 -0.02111 0.01938 19 2PY 0.05864 -0.02839 0.17018 -0.00743 -0.05108 20 2PZ -0.01671 0.05570 -0.00830 0.03194 -0.01507 21 3S 0.58970 -0.93429 -1.17401 -0.13827 0.80460 22 3PX -0.02330 0.28893 0.06141 0.11050 -0.17127 23 3PY -0.02807 -0.08073 -0.35059 0.00069 0.15602 24 3PZ -0.04057 -0.18174 0.02932 -0.08949 0.15161 25 4XX -1.03076 0.79105 0.85938 -0.19594 -0.30948 26 4YY -0.92952 0.66508 1.07936 -0.22603 -0.36377 27 4ZZ -1.03163 0.78508 0.87066 -0.21890 -0.30325 28 4XY 0.01184 0.03251 -0.00466 0.04938 -0.00198 29 4XZ 0.02433 -0.03456 0.04063 -0.01808 0.00602 30 4YZ -0.00478 -0.03111 0.03725 -0.04721 -0.00258 31 3 C 1S -0.26187 0.20211 -0.24076 -0.05898 0.08104 32 2S 1.63602 -1.03723 1.29088 0.40312 -0.43810 33 2PX 0.05755 -0.10276 0.03587 -0.02112 -0.01938 34 2PY -0.05864 0.02839 0.17018 0.00743 -0.05109 35 2PZ -0.01671 0.05570 0.00830 0.03194 0.01507 36 3S 0.58970 -0.93429 1.17402 -0.13837 -0.80458 37 3PX -0.02330 0.28893 -0.06141 0.11052 0.17125 38 3PY 0.02807 0.08073 -0.35059 -0.00067 0.15602 39 3PZ -0.04057 -0.18174 -0.02931 -0.08951 -0.15159 40 4XX -1.03075 0.79105 -0.85938 -0.19590 0.30951 41 4YY -0.92952 0.66508 -1.07936 -0.22599 0.36381 42 4ZZ -1.03162 0.78507 -0.87066 -0.21886 0.30328 43 4XY -0.01184 -0.03251 -0.00466 -0.04938 -0.00197 44 4XZ 0.02433 -0.03456 -0.04063 -0.01808 -0.00602 45 4YZ 0.00477 0.03111 0.03725 0.04721 -0.00258 46 4 C 1S -0.09384 -0.10991 -0.22411 -0.17315 0.00320 47 2S 0.52379 0.59345 0.94588 0.74638 0.06992 48 2PX 0.06637 -0.07419 0.07054 0.00733 -0.03626 49 2PY -0.01829 0.02100 0.06017 0.02789 0.02404 50 2PZ -0.02240 0.08374 0.00659 0.04911 0.00867 51 3S 0.32467 0.57233 1.14176 0.85761 0.07028 52 3PX 0.04816 0.14698 -0.04865 -0.00173 0.23595 53 3PY -0.17527 -0.17000 -0.43676 -0.16590 -0.06321 54 3PZ 0.02104 -0.13359 -0.17104 -0.17354 -0.13482 55 4XX -0.27027 -0.50013 -0.75244 -0.59061 -0.03010 56 4YY -0.35756 -0.34937 -0.74097 -0.59800 -0.03275 57 4ZZ -0.29455 -0.42381 -0.77246 -0.56586 -0.00779 58 4XY -0.04020 0.07455 -0.03224 0.02831 0.00579 59 4XZ -0.09416 0.02810 -0.07407 0.01503 0.02221 60 4YZ -0.01578 -0.11699 0.05898 -0.09768 -0.00441 61 5 H 1S 0.07394 0.06463 -0.07120 0.07775 -0.03464 62 2S -0.03479 -0.02117 0.00750 -0.10804 0.00773 63 6 H 1S 0.12141 -0.08851 -0.08858 0.05255 0.03399 64 2S -0.21759 0.06019 0.15170 -0.08832 -0.00128 65 7 H 1S 0.12141 -0.08851 0.08858 0.05255 -0.03400 66 2S -0.21758 0.06019 -0.15170 -0.08833 0.00129 67 8 H 1S 0.07394 0.06463 0.07120 0.07776 0.03463 68 2S -0.03479 -0.02117 -0.00750 -0.10804 -0.00771 69 9 C 1S -0.06911 -0.27725 0.00000 -0.26602 0.00002 70 2S 0.61051 1.49949 -0.00001 1.26703 -0.00010 71 2PX 0.00021 -0.04558 0.00000 0.04091 0.00000 72 2PY 0.00000 0.00000 0.03135 0.00000 -0.01333 73 2PZ -0.01297 0.04052 0.00000 0.06024 0.00000 74 3S -0.24745 1.08330 -0.00001 1.16337 -0.00008 75 3PX -0.11627 0.25612 0.00000 -0.32467 0.00003 76 3PY 0.00000 0.00000 -0.16540 0.00002 0.21233 77 3PZ 0.23886 0.01185 0.00000 0.00451 0.00000 78 4XX -0.34513 -1.04885 0.00001 -0.98050 0.00007 79 4YY -0.24247 -1.02002 0.00000 -0.91440 0.00007 80 4ZZ -0.32798 -1.02450 0.00001 -0.95476 0.00007 81 4XY 0.00000 0.00000 0.06599 0.00000 -0.02072 82 4XZ 0.00509 -0.05807 0.00000 -0.03082 0.00000 83 4YZ 0.00000 0.00000 -0.09208 0.00000 -0.04302 84 10 H 1S 0.04456 0.08362 0.00000 0.07885 -0.00001 85 2S -0.05018 -0.08481 0.00000 -0.58419 0.00004 86 11 H 1S 0.08177 0.05764 0.00000 0.09903 -0.00001 87 2S -0.13480 -0.36130 0.00000 -0.18297 0.00001 88 12 C 1S -0.12198 -0.14480 -0.09339 0.10583 0.08442 89 2S 0.69393 0.93619 0.60024 -0.30248 -0.59499 90 2PX 0.02746 -0.04417 0.02193 0.03259 -0.04076 91 2PY -0.01658 -0.04557 0.05589 -0.02485 -0.10627 92 2PZ -0.02605 -0.01082 -0.02684 0.02874 -0.01047 93 3S 0.53684 0.24348 0.74179 -0.48145 0.73042 94 3PX -0.26546 0.24665 -0.75809 -0.16264 -0.14908 95 3PY 0.02102 0.12679 0.07674 -0.04477 -0.71154 96 3PZ 0.15709 -0.17622 0.26965 -0.15484 0.41203 97 4XX -0.46087 -0.58303 -0.38082 0.29759 0.34207 98 4YY -0.41236 -0.51344 -0.39743 0.28535 0.44482 99 4ZZ -0.46403 -0.59252 -0.40149 0.32165 0.33712 100 4XY -0.01558 0.00924 -0.01438 0.05575 0.01696 101 4XZ -0.04786 -0.00078 -0.05183 -0.01678 -0.01856 102 4YZ 0.03083 -0.00248 0.03153 -0.03631 -0.03517 103 13 C 1S -0.12198 -0.14480 0.09339 0.10582 -0.08444 104 2S 0.69394 0.93620 -0.60023 -0.30240 0.59504 105 2PX 0.02747 -0.04417 -0.02193 0.03259 0.04076 106 2PY 0.01658 0.04557 0.05589 0.02483 -0.10627 107 2PZ -0.02605 -0.01082 0.02684 0.02874 0.01047 108 3S 0.53684 0.24347 -0.74178 -0.48160 -0.73035 109 3PX -0.26546 0.24665 0.75809 -0.16260 0.14911 110 3PY -0.02101 -0.12679 0.07673 0.04466 -0.71155 111 3PZ 0.15709 -0.17622 -0.26965 -0.15491 -0.41201 112 4XX -0.46087 -0.58303 0.38081 0.29754 -0.34212 113 4YY -0.41236 -0.51345 0.39742 0.28530 -0.44486 114 4ZZ -0.46403 -0.59252 0.40148 0.32161 -0.33717 115 4XY 0.01558 -0.00924 -0.01438 -0.05575 0.01697 116 4XZ -0.04786 -0.00078 0.05183 -0.01677 0.01856 117 4YZ -0.03083 0.00248 0.03153 0.03630 -0.03517 118 14 C 1S -0.04060 -0.07435 0.01511 0.18496 -0.09879 119 2S 0.36592 0.32904 -0.21539 -1.02222 0.06305 120 2PX 0.03332 0.06086 -0.05097 -0.03421 -0.00200 121 2PY 0.00923 0.04112 -0.01780 -0.05726 0.08862 122 2PZ -0.03715 -0.02745 0.02198 0.03085 0.03559 123 3S 0.17229 -0.00081 0.70822 -0.67366 -1.50271 124 3PX -0.16207 0.03813 0.37137 0.13069 0.17996 125 3PY -0.46579 0.72949 0.14800 -0.42691 2.52442 126 3PZ 0.10583 0.01316 -0.24041 -0.13309 0.17929 127 4XX -0.20715 -0.23046 0.11003 0.72699 -0.11097 128 4YY -0.22565 -0.28234 0.12943 0.83469 -0.33623 129 4ZZ -0.19123 -0.23913 0.09107 0.68205 -0.17399 130 4XY 0.04910 0.06988 -0.04909 -0.04159 -0.05683 131 4XZ 0.02444 0.00188 -0.05493 -0.04775 -0.09845 132 4YZ -0.04818 -0.04939 0.04183 0.07271 0.01846 133 15 C 1S 0.13135 0.08490 -0.12984 -0.16751 -0.22035 134 2S -0.85584 -0.47387 0.80122 0.88218 1.27311 135 2PX 0.04110 0.03983 -0.02968 -0.09178 -0.04325 136 2PY -0.05917 -0.01151 -0.10952 0.04465 -0.23947 137 2PZ -0.02823 -0.03086 0.02430 0.05073 0.02761 138 3S -0.40653 -0.34836 0.53336 0.89512 0.23139 139 3PX 0.01913 -0.17505 -0.02157 0.27675 -0.32562 140 3PY 0.12906 -0.13351 -0.11812 0.00510 -0.47893 141 3PZ -0.02146 0.13682 -0.00281 -0.15163 0.17859 142 4XX 0.53742 0.33822 -0.51905 -0.65529 -0.84810 143 4YY 0.48885 0.29770 -0.67333 -0.58618 -1.10395 144 4ZZ 0.53239 0.33756 -0.50201 -0.67231 -0.81649 145 4XY -0.01663 -0.02626 0.03744 0.05301 -0.00046 146 4XZ -0.02629 0.00344 0.02836 0.02978 0.03080 147 4YZ 0.01523 0.02014 -0.02557 -0.04114 -0.01302 148 16 C 1S 0.13134 0.08490 0.12984 -0.16747 0.22038 149 2S -0.85583 -0.47386 -0.80125 0.88196 -1.27325 150 2PX 0.04110 0.03983 0.02968 -0.09178 0.04326 151 2PY 0.05917 0.01152 -0.10952 -0.04469 -0.23946 152 2PZ -0.02823 -0.03086 -0.02430 0.05072 -0.02762 153 3S -0.40653 -0.34835 -0.53338 0.89506 -0.23153 154 3PX 0.01913 -0.17505 0.02157 0.27680 0.32557 155 3PY -0.12907 0.13351 -0.11812 -0.00518 -0.47893 156 3PZ -0.02146 0.13682 0.00281 -0.15165 -0.17857 157 4XX 0.53742 0.33822 0.51907 -0.65514 0.84820 158 4YY 0.48884 0.29769 0.67334 -0.58599 1.10404 159 4ZZ 0.53238 0.33756 0.50202 -0.67217 0.81659 160 4XY 0.01663 0.02626 0.03744 -0.05301 -0.00045 161 4XZ -0.02630 0.00343 -0.02836 0.02977 -0.03081 162 4YZ -0.01523 -0.02014 -0.02557 0.04114 -0.01303 163 17 C 1S -0.04060 -0.07435 -0.01511 0.18498 0.09876 164 2S 0.36593 0.32904 0.21541 -1.02222 -0.06288 165 2PX 0.03332 0.06086 0.05097 -0.03421 0.00200 166 2PY -0.00923 -0.04112 -0.01780 0.05727 0.08861 167 2PZ -0.03715 -0.02745 -0.02198 0.03085 -0.03560 168 3S 0.17230 -0.00083 -0.70821 -0.67345 1.50283 169 3PX -0.16206 0.03812 -0.37137 0.13066 -0.17995 170 3PY 0.46579 -0.72948 0.14800 0.42730 2.52436 171 3PZ 0.10583 0.01315 0.24042 -0.13311 -0.17927 172 4XX -0.20715 -0.23047 -0.11005 0.72700 0.11085 173 4YY -0.22565 -0.28234 -0.12945 0.83473 0.33609 174 4ZZ -0.19123 -0.23913 -0.09108 0.68208 0.17387 175 4XY -0.04910 -0.06988 -0.04909 0.04158 -0.05683 176 4XZ 0.02444 0.00188 0.05493 -0.04773 0.09845 177 4YZ 0.04817 0.04939 0.04183 -0.07271 0.01847 178 18 H 1S 0.07968 0.01510 0.12105 -0.03006 -0.02282 179 2S -0.04649 -0.22281 0.00166 0.08309 0.26383 180 19 H 1S 0.07968 0.01510 -0.12105 -0.03006 0.02282 181 2S -0.04649 -0.22281 -0.00166 0.08305 -0.26385 182 20 H 1S -0.04095 -0.04295 0.03030 0.05081 0.04901 183 2S 0.13745 -0.04221 -0.14285 -0.03766 -0.35967 184 21 H 1S -0.04095 -0.04294 -0.03030 0.05080 -0.04902 185 2S 0.13745 -0.04221 0.14285 -0.03760 0.35967 186 22 O 1S 0.05925 -0.07900 -0.01608 0.01109 0.30446 187 2S 0.08972 -0.11442 -0.04296 0.01911 0.51082 188 2PX 0.00734 0.00369 -0.00594 -0.01557 0.01003 189 2PY -0.05043 0.00022 -0.00318 0.09342 -0.07431 190 2PZ 0.00333 -0.00745 0.00251 -0.00562 0.00504 191 3S -0.87874 1.25345 0.27892 -0.33443 -5.00676 192 3PX -0.00830 0.03607 0.07996 -0.02366 -0.12877 193 3PY 0.17536 -0.32613 -0.12753 0.19656 1.29176 194 3PZ -0.03366 0.04243 -0.02906 0.00596 -0.09080 195 4XX 0.20393 -0.27230 -0.05371 0.05133 1.06680 196 4YY 0.19372 -0.17134 -0.00489 -0.12006 0.70808 197 4ZZ 0.19323 -0.27017 -0.07002 0.05423 1.03674 198 4XY -0.00056 -0.02195 -0.02747 0.02159 0.03672 199 4XZ -0.00520 0.00766 -0.00317 0.01441 -0.04702 200 4YZ 0.00818 -0.00956 0.00394 0.00336 0.02243 201 23 O 1S 0.05925 -0.07900 0.01608 0.01105 -0.30446 202 2S 0.08972 -0.11442 0.04296 0.01904 -0.51082 203 2PX 0.00734 0.00369 0.00594 -0.01557 -0.01003 204 2PY 0.05042 -0.00022 -0.00318 -0.09343 -0.07429 205 2PZ 0.00333 -0.00745 -0.00251 -0.00562 -0.00504 206 3S -0.87874 1.25345 -0.27893 -0.33367 5.00681 207 3PX -0.00830 0.03608 -0.07996 -0.02365 0.12879 208 3PY -0.17536 0.32613 -0.12753 -0.19636 1.29179 209 3PZ -0.03366 0.04243 0.02906 0.00597 0.09080 210 4XX 0.20393 -0.27230 0.05371 0.05116 -1.06681 211 4YY 0.19372 -0.17134 0.00490 -0.12017 -0.70806 212 4ZZ 0.19323 -0.27017 0.07002 0.05407 -1.03675 213 4XY 0.00056 0.02196 -0.02747 -0.02159 0.03672 214 4XZ -0.00520 0.00766 0.00317 0.01442 0.04702 215 4YZ -0.00818 0.00956 0.00394 -0.00335 0.02243 211 212 213 214 215 V V V V V Eigenvalues -- 4.46113 4.52092 4.63747 4.64169 4.90997 1 1 C 1S -0.00478 0.19621 -0.33403 -0.21949 -0.12060 2 2S 0.36304 -1.19829 1.09131 0.81023 -0.08159 3 2PX -0.05000 0.01170 0.00091 0.00021 -0.01332 4 2PY -0.01563 0.07544 -0.15991 -0.11202 -0.06401 5 2PZ 0.03392 -0.00902 0.06031 0.03424 -0.01116 6 3S 0.04074 -1.62225 3.76562 2.12792 2.30269 7 3PX 0.26549 0.07647 0.04141 -0.03075 -0.11491 8 3PY -0.06050 -0.18080 1.28039 0.64058 0.96457 9 3PZ 0.06787 -0.17588 -0.41913 -0.18858 -0.37734 10 4XX -0.19676 0.81146 -1.19334 -0.72257 -0.24229 11 4YY -0.12131 0.89039 -1.07342 -0.83968 -0.26674 12 4ZZ -0.12656 0.84838 -1.16851 -0.74240 -0.29671 13 4XY -0.01951 -0.02017 -0.05773 -0.00762 -0.04330 14 4XZ 0.04987 -0.06246 0.10175 0.06545 0.07653 15 4YZ 0.04655 0.07219 -0.00198 -0.00573 -0.03483 16 2 C 1S 0.21128 -0.04990 0.14995 -0.00720 0.02773 17 2S -1.07323 0.34123 -0.73868 0.09999 -0.08064 18 2PX -0.08358 0.06491 -0.09858 -0.01168 -0.00642 19 2PY 0.11811 0.03223 0.03648 -0.00719 -0.00543 20 2PZ 0.04525 -0.04580 0.08777 0.02560 0.00537 21 3S -1.73214 0.38811 -3.05138 -0.62657 -1.45404 22 3PX 0.26903 -0.06142 0.89054 0.28353 0.57552 23 3PY -0.36869 -0.04430 -0.66637 -0.01180 -0.31186 24 3PZ -0.16216 0.02606 -0.60540 -0.17134 -0.32686 25 4XX 0.78908 -0.26210 0.62997 -0.01282 0.09790 26 4YY 0.96728 -0.19499 0.68065 -0.03947 0.10633 27 4ZZ 0.79344 -0.26065 0.61507 0.00214 0.10638 28 4XY 0.03062 -0.03878 0.06678 0.05968 0.01409 29 4XZ -0.03843 0.09457 -0.12831 -0.03457 -0.02196 30 4YZ 0.00342 0.00644 -0.06257 -0.04757 -0.02883 31 3 C 1S -0.21128 -0.04990 -0.14996 -0.00717 -0.02773 32 2S 1.07324 0.34123 0.73870 0.09986 0.08064 33 2PX 0.08358 0.06492 0.09858 -0.01170 0.00642 34 2PY 0.11811 -0.03223 0.03648 0.00718 -0.00543 35 2PZ -0.04526 -0.04580 -0.08776 0.02562 -0.00537 36 3S 1.73214 0.38811 3.05126 -0.62713 1.45404 37 3PX -0.26903 -0.06142 -0.89049 0.28369 -0.57552 38 3PY -0.36869 0.04430 -0.66637 0.01192 -0.31186 39 3PZ 0.16217 0.02606 0.60537 -0.17145 0.32686 40 4XX -0.78908 -0.26210 -0.62997 -0.01271 -0.09790 41 4YY -0.96728 -0.19499 -0.68066 -0.03935 -0.10633 42 4ZZ -0.79344 -0.26065 -0.61507 0.00225 -0.10637 43 4XY 0.03062 0.03878 0.06677 -0.05969 0.01409 44 4XZ 0.03843 0.09457 0.12831 -0.03460 0.02196 45 4YZ 0.00342 -0.00644 -0.06256 0.04758 -0.02883 46 4 C 1S 0.00478 0.19621 0.33399 -0.21955 0.12060 47 2S -0.36303 -1.19829 -1.09116 0.81044 0.08159 48 2PX 0.05000 0.01170 -0.00091 0.00021 0.01332 49 2PY -0.01563 -0.07544 -0.15989 0.11205 -0.06400 50 2PZ -0.03392 -0.00902 -0.06030 0.03425 0.01116 51 3S -0.04074 -1.62225 -3.76524 2.12863 -2.30268 52 3PX -0.26549 0.07647 -0.04141 -0.03075 0.11492 53 3PY -0.06050 0.18080 1.28027 -0.64082 0.96457 54 3PZ -0.06787 -0.17588 0.41908 -0.18866 0.37733 55 4XX 0.19676 0.81146 1.19321 -0.72279 0.24228 56 4YY 0.12130 0.89039 1.07327 -0.83989 0.26673 57 4ZZ 0.12655 0.84838 1.16838 -0.74262 0.29670 58 4XY -0.01951 0.02017 -0.05773 0.00763 -0.04330 59 4XZ -0.04987 -0.06246 -0.10174 0.06547 -0.07653 60 4YZ 0.04656 -0.07219 -0.00198 0.00573 -0.03483 61 5 H 1S 0.03046 -0.03133 0.06067 0.07645 -0.00693 62 2S -0.02166 0.26663 0.01105 -0.05073 0.17856 63 6 H 1S -0.07859 0.02646 -0.06484 0.03527 -0.00746 64 2S 0.11606 -0.07970 -0.10479 -0.07272 -0.12386 65 7 H 1S 0.07859 0.02646 0.06485 0.03526 0.00746 66 2S -0.11606 -0.07970 0.10477 -0.07274 0.12386 67 8 H 1S -0.03046 -0.03132 -0.06065 0.07646 0.00693 68 2S 0.02166 0.26663 -0.01106 -0.05073 -0.17856 69 9 C 1S 0.00000 -0.33923 0.00001 0.07236 0.00000 70 2S 0.00000 1.64410 -0.00004 -0.47028 0.00000 71 2PX 0.00000 -0.04063 0.00000 0.03451 0.00000 72 2PY -0.02253 0.00000 0.04662 0.00000 0.06433 73 2PZ 0.00000 0.13303 0.00000 0.04069 0.00000 74 3S 0.00000 2.93118 -0.00015 -1.67006 -0.00001 75 3PX 0.00000 0.01176 -0.00003 -0.34199 0.00000 76 3PY -0.02121 0.00000 0.57730 -0.00005 0.40845 77 3PZ 0.00000 -0.39144 0.00001 0.16452 0.00000 78 4XX 0.00000 -1.23543 0.00002 0.26054 0.00000 79 4YY 0.00000 -1.40069 0.00004 0.40770 0.00000 80 4ZZ 0.00000 -1.28808 0.00003 0.33546 0.00000 81 4XY -0.00103 0.00000 -0.06941 0.00001 -0.02256 82 4XZ 0.00000 0.10323 0.00000 -0.03477 0.00000 83 4YZ 0.01743 0.00000 0.11826 -0.00001 0.00749 84 10 H 1S 0.00000 0.02076 0.00000 -0.00617 0.00000 85 2S 0.00000 -0.48278 0.00001 0.07785 0.00000 86 11 H 1S 0.00000 -0.02115 0.00001 0.07616 0.00000 87 2S 0.00000 -0.25766 0.00002 0.23215 0.00000 88 12 C 1S 0.23437 0.14534 -0.08795 0.24843 -0.32899 89 2S -0.96486 -0.71727 -0.14339 -0.80376 0.76418 90 2PX 0.02921 -0.02035 0.02151 -0.04217 0.00616 91 2PY -0.13073 -0.00383 0.01845 0.00202 0.05135 92 2PZ 0.03910 0.08229 -0.03244 0.09547 -0.12815 93 3S -1.77739 -0.81484 1.82037 -2.17410 7.43366 94 3PX -0.33980 0.27648 -0.09423 0.33631 -1.29467 95 3PY 0.13446 0.11837 -0.10406 0.09893 -1.72130 96 3PZ -0.06115 -0.28566 0.75361 -0.65161 1.94899 97 4XX 0.77567 0.59996 -0.09016 0.82384 -0.99544 98 4YY 0.95884 0.49047 -0.22125 0.77749 -1.24267 99 4ZZ 0.81205 0.56028 -0.15899 0.86796 -1.01594 100 4XY 0.05097 -0.02560 -0.05682 -0.09699 0.09926 101 4XZ 0.02076 -0.00005 -0.00109 -0.05536 0.02059 102 4YZ 0.01846 0.01873 0.02134 0.01292 -0.10701 103 13 C 1S -0.23437 0.14534 0.08799 0.24841 0.32899 104 2S 0.96487 -0.71727 0.14323 -0.80379 -0.76418 105 2PX -0.02921 -0.02035 -0.02152 -0.04217 -0.00616 106 2PY -0.13073 0.00383 0.01845 -0.00202 0.05135 107 2PZ -0.03910 0.08229 0.03246 0.09547 0.12815 108 3S 1.77739 -0.81483 -1.82078 -2.17375 -7.43365 109 3PX 0.33980 0.27648 0.09430 0.33630 1.29466 110 3PY 0.13447 -0.11837 -0.10408 -0.09892 -1.72132 111 3PZ 0.06115 -0.28565 -0.75373 -0.65146 -1.94899 112 4XX -0.77567 0.59996 0.09031 0.82383 0.99544 113 4YY -0.95884 0.49046 0.22140 0.77744 1.24267 114 4ZZ -0.81205 0.56028 0.15915 0.86793 1.01594 115 4XY 0.05097 0.02561 -0.05680 0.09700 0.09926 116 4XZ -0.02076 -0.00005 0.00108 -0.05536 -0.02059 117 4YZ 0.01846 -0.01873 0.02133 -0.01293 -0.10701 118 14 C 1S -0.15602 -0.11102 0.13839 -0.18220 -0.24144 119 2S 0.65416 0.47724 -0.70845 0.66517 0.60882 120 2PX 0.05189 -0.01939 0.03538 -0.01285 0.02581 121 2PY 0.05170 0.03288 -0.00790 0.08966 0.06985 122 2PZ -0.03793 0.02412 0.01340 0.03968 0.03052 123 3S 0.20372 0.46899 -0.32907 0.14834 2.53027 124 3PX -0.24258 0.25775 0.39825 0.56058 0.94548 125 3PY 1.11893 0.75444 -0.06161 2.28873 4.08699 126 3PZ 0.25384 -0.05457 -0.27847 -0.07700 -0.06159 127 4XX -0.51292 -0.41940 0.56616 -0.64923 -0.77683 128 4YY -0.64504 -0.46083 0.63580 -0.76317 -0.89845 129 4ZZ -0.52063 -0.40695 0.51210 -0.59872 -0.76163 130 4XY 0.06800 -0.04269 0.00522 -0.06826 -0.04108 131 4XZ -0.00201 0.07390 -0.04274 0.10857 0.12529 132 4YZ -0.08448 0.01440 0.04696 0.03569 0.03083 133 15 C 1S 0.12651 0.01860 -0.09885 0.05036 0.09472 134 2S -0.64786 -0.15530 0.49859 -0.22923 -0.30577 135 2PX 0.04406 0.01514 -0.04684 0.02664 0.01688 136 2PY 0.05989 -0.01434 -0.05228 0.00683 0.03530 137 2PZ -0.03738 -0.01996 0.03371 -0.02890 -0.00929 138 3S -1.78074 -0.11475 1.05058 -0.31750 -3.96126 139 3PX -0.48765 -0.11220 0.30768 -0.38956 -1.29626 140 3PY -0.36949 -0.12255 -0.05308 -0.46047 -1.82115 141 3PZ 0.36019 0.09451 -0.21076 0.26371 0.83421 142 4XX 0.49195 0.09775 -0.38374 0.19198 0.30797 143 4YY 0.59835 0.10090 -0.49186 0.20268 0.43310 144 4ZZ 0.48284 0.08544 -0.38100 0.19492 0.31784 145 4XY -0.07479 -0.02879 0.06606 -0.05448 -0.08893 146 4XZ -0.03893 -0.01521 0.04423 0.00203 -0.02776 147 4YZ 0.04937 0.02869 -0.04556 0.05777 0.08401 148 16 C 1S -0.12652 0.01860 0.09886 0.05034 -0.09472 149 2S 0.64787 -0.15528 -0.49863 -0.22914 0.30577 150 2PX -0.04406 0.01514 0.04685 0.02663 -0.01688 151 2PY 0.05989 0.01434 -0.05228 -0.00682 0.03530 152 2PZ 0.03738 -0.01996 -0.03371 -0.02889 0.00929 153 3S 1.78075 -0.11472 -1.05064 -0.31730 3.96126 154 3PX 0.48765 -0.11219 -0.30776 -0.38949 1.29625 155 3PY -0.36950 0.12255 -0.05299 0.46049 -1.82117 156 3PZ -0.36019 0.09451 0.21081 0.26367 -0.83421 157 4XX -0.49196 0.09774 0.38378 0.19191 -0.30797 158 4YY -0.59836 0.10088 0.49190 0.20259 -0.43310 159 4ZZ -0.48284 0.08543 0.38104 0.19485 -0.31784 160 4XY -0.07480 0.02879 0.06608 0.05447 -0.08893 161 4XZ 0.03893 -0.01521 -0.04423 0.00203 0.02776 162 4YZ 0.04937 -0.02869 -0.04557 -0.05776 0.08401 163 17 C 1S 0.15602 -0.11102 -0.13842 -0.18218 0.24144 164 2S -0.65417 0.47722 0.70858 0.66503 -0.60882 165 2PX -0.05189 -0.01939 -0.03538 -0.01284 -0.02581 166 2PY 0.05171 -0.03288 -0.00792 -0.08966 0.06985 167 2PZ 0.03793 0.02412 -0.01339 0.03968 -0.03052 168 3S -0.20373 0.46898 0.32911 0.14826 -2.53026 169 3PX 0.24260 0.25775 -0.39814 0.56063 -0.94544 170 3PY 1.11893 -0.75444 -0.06203 -2.28873 4.08699 171 3PZ -0.25384 -0.05458 0.27846 -0.07705 0.06160 172 4XX 0.51293 -0.41938 -0.56629 -0.64912 0.77683 173 4YY 0.64505 -0.46082 -0.63594 -0.76305 0.89844 174 4ZZ 0.52064 -0.40694 -0.51222 -0.59862 0.76162 175 4XY 0.06800 0.04269 0.00523 0.06826 -0.04107 176 4XZ 0.00201 0.07390 0.04276 0.10856 -0.12529 177 4YZ -0.08448 -0.01441 0.04695 -0.03570 0.03083 178 18 H 1S 0.03236 -0.06877 -0.00169 -0.06559 0.02906 179 2S 0.25110 -0.03531 0.03835 0.09350 0.22478 180 19 H 1S -0.03236 -0.06877 0.00168 -0.06560 -0.02906 181 2S -0.25110 -0.03532 -0.03834 0.09351 -0.22479 182 20 H 1S -0.04382 -0.02024 0.01809 -0.05720 -0.09617 183 2S -0.04771 -0.05538 -0.02772 -0.19898 -0.43613 184 21 H 1S 0.04382 -0.02024 -0.01810 -0.05720 0.09617 185 2S 0.04771 -0.05538 0.02768 -0.19898 0.43613 186 22 O 1S 0.10050 -0.05302 0.01029 -0.20709 0.21764 187 2S 0.17868 -0.11592 0.02663 -0.47078 0.56835 188 2PX 0.00016 0.00398 0.00929 -0.00499 -0.00529 189 2PY 0.03555 -0.02386 -0.08073 0.01076 0.00401 190 2PZ -0.00170 -0.00119 0.00949 0.00350 -0.00332 191 3S -1.75529 0.99260 -0.07673 3.76364 -4.43933 192 3PX -0.11509 -0.01663 0.03996 0.05528 -0.01523 193 3PY 0.51449 -0.32056 -0.07815 -1.08365 1.17555 194 3PZ 0.00244 0.04890 -0.04702 0.11293 -0.13583 195 4XX 0.35609 -0.19249 0.01446 -0.71848 0.73542 196 4YY 0.14479 -0.04159 0.15220 -0.36012 0.37794 197 4ZZ 0.35381 -0.19570 0.02235 -0.73684 0.75720 198 4XY 0.04207 0.00121 -0.00924 -0.02466 0.02296 199 4XZ -0.00689 -0.01164 -0.00921 -0.01534 0.01431 200 4YZ -0.00207 -0.02526 0.00505 -0.05348 0.05476 201 23 O 1S -0.10050 -0.05302 -0.01033 -0.20709 -0.21764 202 2S -0.17868 -0.11592 -0.02672 -0.47078 -0.56835 203 2PX -0.00016 0.00399 -0.00929 -0.00498 0.00529 204 2PY 0.03555 0.02386 -0.08073 -0.01075 0.00401 205 2PZ 0.00170 -0.00119 -0.00949 0.00350 0.00332 206 3S 1.75529 0.99260 0.07742 3.76361 4.43933 207 3PX 0.11510 -0.01663 -0.03995 0.05530 0.01525 208 3PY 0.51449 0.32056 -0.07795 1.08366 1.17555 209 3PZ -0.00244 0.04890 0.04704 0.11292 0.13583 210 4XX -0.35608 -0.19248 -0.01459 -0.71847 -0.73542 211 4YY -0.14479 -0.04159 -0.15226 -0.36009 -0.37794 212 4ZZ -0.35381 -0.19570 -0.02249 -0.73684 -0.75720 213 4XY 0.04208 -0.00121 -0.00923 0.02467 0.02296 214 4XZ 0.00689 -0.01164 0.00921 -0.01534 -0.01431 215 4YZ -0.00207 0.02526 0.00506 0.05348 0.05476 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05588 2 2S -0.06347 0.33136 3 2PX -0.00188 0.00585 0.36493 4 2PY 0.00383 0.00245 0.01259 0.42724 5 2PZ -0.00083 0.00299 -0.05574 -0.00473 0.35262 6 3S -0.20651 0.31272 -0.02760 -0.02673 -0.02525 7 3PX 0.00614 -0.01452 0.19121 -0.01420 0.03487 8 3PY -0.01021 -0.00362 0.00868 0.13562 -0.00838 9 3PZ 0.00534 -0.00134 0.02110 -0.00760 0.16583 10 4XX -0.01198 -0.01143 0.01109 0.00331 -0.00456 11 4YY -0.01922 0.00304 -0.00899 -0.01392 0.00980 12 4ZZ -0.01278 -0.00997 -0.00512 0.00565 -0.00433 13 4XY -0.00142 0.00304 0.00718 -0.00491 -0.00270 14 4XZ 0.00284 -0.00630 -0.00562 -0.00313 0.00386 15 4YZ 0.00101 -0.00194 -0.00287 0.01289 0.00898 16 2 C 1S 0.01661 -0.03093 -0.06078 -0.02178 0.04384 17 2S -0.03337 0.05743 0.12959 0.03983 -0.09115 18 2PX 0.06376 -0.12764 -0.08145 -0.07812 0.23182 19 2PY 0.02727 -0.06242 -0.11176 -0.01340 0.07213 20 2PZ -0.03648 0.07600 0.25156 0.03700 0.00976 21 3S 0.01473 0.00770 0.05527 0.07070 -0.06900 22 3PX 0.00613 -0.02920 0.03262 -0.03497 0.10232 23 3PY 0.00667 -0.01128 -0.07570 0.02112 0.03896 24 3PZ 0.00610 0.00234 0.10301 0.00814 0.04228 25 4XX -0.00286 0.00532 -0.00576 0.00508 -0.00738 26 4YY 0.00245 -0.00591 -0.00620 -0.01054 0.00518 27 4ZZ -0.00068 0.00089 0.00259 0.00208 0.00936 28 4XY -0.00310 0.00586 0.00403 -0.00533 -0.00570 29 4XZ 0.00415 -0.00779 -0.00543 -0.00702 -0.00061 30 4YZ 0.00245 -0.00443 -0.00626 0.00480 0.00117 31 3 C 1S -0.00481 0.01206 0.00706 0.01466 -0.00217 32 2S 0.01159 -0.02776 -0.02539 -0.03290 0.00853 33 2PX -0.00660 0.01693 -0.00238 0.01893 0.00602 34 2PY -0.01019 0.03248 0.03181 0.02053 -0.02544 35 2PZ 0.00881 -0.01684 -0.01121 -0.01383 -0.00561 36 3S 0.00543 -0.03023 0.05690 -0.11051 -0.00834 37 3PX 0.00288 0.00142 -0.05259 0.01439 0.00605 38 3PY -0.00290 0.01487 -0.00910 0.03735 -0.01099 39 3PZ -0.00091 -0.00175 0.02061 -0.00538 -0.02113 40 4XX 0.00029 -0.00032 0.00222 -0.00025 0.00216 41 4YY -0.00146 0.00318 0.00361 0.00440 -0.00305 42 4ZZ -0.00027 0.00094 -0.00230 0.00072 -0.00105 43 4XY -0.00212 0.00454 0.00154 0.00488 -0.00886 44 4XZ 0.00020 -0.00064 -0.00035 -0.00074 0.00032 45 4YZ 0.00113 -0.00238 -0.01048 -0.00275 -0.00218 46 4 C 1S -0.00485 0.00907 0.00095 0.01325 -0.00701 47 2S 0.00907 -0.02458 0.00302 -0.03580 0.01297 48 2PX 0.00095 0.00302 -0.07821 0.00337 -0.05018 49 2PY -0.01325 0.03580 -0.00337 0.03928 0.00104 50 2PZ -0.00701 0.01296 -0.05018 -0.00104 -0.07580 51 3S 0.02225 -0.03448 -0.05579 -0.05706 0.05607 52 3PX -0.00221 0.00760 -0.09068 0.02306 -0.05081 53 3PY -0.01002 0.01433 0.03457 0.01047 0.00167 54 3PZ -0.00587 0.00786 -0.04061 -0.01625 -0.05625 55 4XX 0.00060 -0.00170 0.00064 -0.00310 -0.00113 56 4YY -0.00299 0.00643 -0.00321 0.01255 0.00349 57 4ZZ 0.00080 -0.00256 0.00277 -0.00549 -0.00251 58 4XY -0.00042 0.00108 -0.00037 0.00100 -0.00120 59 4XZ -0.00034 0.00056 0.00009 0.00165 0.00117 60 4YZ 0.00007 0.00038 -0.00110 0.00053 -0.00121 61 5 H 1S -0.06339 0.11899 -0.04898 -0.25521 0.05993 62 2S -0.01474 0.02691 -0.01754 -0.20899 0.05506 63 6 H 1S 0.01289 -0.02687 -0.03861 0.00372 0.02926 64 2S 0.01717 -0.02960 -0.07837 0.01894 0.05448 65 7 H 1S -0.00892 0.02090 0.02527 0.01546 -0.01355 66 2S -0.01359 0.02920 0.05793 0.02838 -0.02455 67 8 H 1S -0.00895 0.02085 -0.01221 0.02911 0.00808 68 2S -0.01155 0.02975 -0.03652 0.05780 -0.00213 69 9 C 1S 0.01239 -0.02252 0.02049 -0.04745 -0.03706 70 2S -0.02352 0.04064 -0.04682 0.09464 0.07546 71 2PX -0.01370 0.02561 0.00589 0.04870 0.06089 72 2PY 0.05293 -0.11431 0.08426 -0.17875 -0.17360 73 2PZ 0.04216 -0.08692 0.07960 -0.13634 -0.08152 74 3S 0.00484 0.01016 -0.02402 0.11341 0.07383 75 3PX -0.00078 0.00570 0.01762 0.02014 0.03020 76 3PY 0.00832 -0.02930 0.04888 -0.08053 -0.09345 77 3PZ 0.00745 -0.02434 0.02088 -0.05972 -0.04275 78 4XX 0.00201 -0.00424 0.00658 -0.00374 -0.00424 79 4YY -0.00355 0.00604 -0.00459 -0.00468 0.00594 80 4ZZ -0.00031 -0.00008 0.00112 0.00241 -0.00544 81 4XY 0.00221 -0.00436 -0.00845 -0.00456 -0.00719 82 4XZ 0.00203 -0.00388 -0.00382 -0.00486 0.00064 83 4YZ -0.00495 0.01002 -0.00632 0.00988 0.00069 84 10 H 1S 0.00787 -0.01726 0.01653 -0.01558 -0.02926 85 2S 0.01093 -0.01961 0.04844 -0.02670 -0.03364 86 11 H 1S 0.00924 -0.02396 0.01836 -0.01690 -0.00363 87 2S 0.01403 -0.03102 0.01334 -0.03576 -0.02834 88 12 C 1S -0.00138 0.00437 -0.00315 0.00497 -0.00052 89 2S 0.00253 -0.00366 0.00497 -0.00682 0.00329 90 2PX 0.00949 -0.02429 0.02520 -0.01736 0.01188 91 2PY -0.00180 0.00626 -0.01756 0.01273 -0.01603 92 2PZ 0.00909 -0.02179 0.02282 -0.01634 0.00966 93 3S 0.00499 -0.02606 0.02359 -0.03920 -0.01840 94 3PX 0.00828 -0.02023 0.01785 -0.01730 0.02271 95 3PY -0.00116 0.00858 -0.00607 0.01190 -0.00137 96 3PZ 0.00706 -0.02279 0.03727 -0.01643 0.00765 97 4XX -0.00030 0.00071 0.00033 0.00050 0.00042 98 4YY 0.00008 -0.00004 -0.00010 0.00007 -0.00024 99 4ZZ -0.00017 0.00036 0.00065 0.00033 0.00098 100 4XY 0.00035 -0.00037 0.00478 -0.00108 0.00404 101 4XZ 0.00011 -0.00032 0.00159 -0.00031 0.00206 102 4YZ 0.00041 -0.00049 0.00437 -0.00093 0.00447 103 13 C 1S -0.00219 0.00171 0.00623 -0.00161 0.00550 104 2S 0.00203 -0.01398 -0.00577 -0.00146 -0.00901 105 2PX -0.00550 0.00685 -0.09400 0.01402 -0.07591 106 2PY -0.00058 0.00215 0.01782 -0.01101 0.01524 107 2PZ -0.00731 0.01154 -0.08418 0.01057 -0.09388 108 3S 0.01382 0.00283 -0.01791 0.01923 0.00294 109 3PX 0.00214 -0.00357 -0.05487 0.00742 -0.07226 110 3PY -0.00408 0.01196 -0.00248 0.01152 0.01413 111 3PZ 0.00083 0.00779 -0.07719 0.01177 -0.06000 112 4XX -0.00105 0.00174 -0.00071 0.00089 -0.00358 113 4YY -0.00018 -0.00109 0.00191 -0.00182 0.00143 114 4ZZ -0.00061 0.00031 -0.00310 0.00148 0.00071 115 4XY 0.00072 -0.00165 0.00283 0.00076 0.00181 116 4XZ -0.00107 0.00311 -0.00443 0.00126 -0.00248 117 4YZ 0.00083 -0.00180 0.00284 0.00050 0.00250 118 14 C 1S -0.00136 0.00342 -0.00461 -0.00026 -0.00036 119 2S 0.00291 -0.00666 0.01563 0.00254 0.00200 120 2PX 0.00504 -0.01265 0.00602 0.00777 -0.01040 121 2PY 0.00171 -0.00175 0.01170 -0.00197 0.00275 122 2PZ 0.00135 -0.00214 -0.02295 0.00875 -0.01907 123 3S 0.00388 -0.00965 0.00580 -0.00777 -0.00870 124 3PX 0.00155 -0.00923 0.00139 0.00454 -0.00455 125 3PY 0.00137 -0.00999 0.02081 -0.00169 -0.01380 126 3PZ 0.00324 -0.00500 -0.00652 0.00257 -0.00212 127 4XX -0.00072 0.00069 -0.00499 -0.00018 -0.00423 128 4YY -0.00005 -0.00011 0.00236 -0.00016 0.00095 129 4ZZ -0.00006 0.00028 0.00253 0.00022 0.00263 130 4XY -0.00032 0.00044 -0.00246 -0.00022 -0.00248 131 4XZ -0.00062 0.00118 -0.00309 -0.00033 -0.00156 132 4YZ -0.00055 0.00090 -0.00507 0.00076 -0.00349 133 15 C 1S 0.00011 -0.00011 0.00092 -0.00064 -0.00015 134 2S 0.00061 -0.00051 -0.00056 0.00066 -0.00003 135 2PX 0.00046 0.00204 0.00238 0.00368 0.00493 136 2PY -0.00055 0.00017 0.00031 -0.00156 0.00051 137 2PZ -0.00024 0.00213 0.00642 0.00319 0.00730 138 3S -0.00447 0.00919 -0.01942 0.01023 0.00946 139 3PX -0.00235 0.00619 -0.00102 0.00539 0.00873 140 3PY -0.00081 0.00505 -0.00496 0.00090 0.00687 141 3PZ 0.00076 0.00007 0.00685 0.00242 0.00323 142 4XX 0.00030 -0.00043 0.00017 0.00032 -0.00061 143 4YY 0.00003 -0.00001 -0.00026 -0.00002 0.00000 144 4ZZ 0.00013 0.00002 0.00094 -0.00044 0.00072 145 4XY -0.00006 0.00019 0.00049 -0.00025 0.00062 146 4XZ 0.00001 -0.00006 -0.00062 -0.00003 -0.00056 147 4YZ -0.00016 0.00035 -0.00001 -0.00020 0.00030 148 16 C 1S 0.00004 0.00024 -0.00001 0.00017 -0.00100 149 2S -0.00036 0.00026 -0.00137 0.00040 0.00290 150 2PX -0.00020 0.00217 0.00908 -0.00102 0.01207 151 2PY 0.00058 -0.00109 0.00280 0.00071 0.00201 152 2PZ -0.00074 0.00434 0.01031 -0.00217 0.01056 153 3S 0.00350 -0.01065 0.00889 -0.00380 -0.00513 154 3PX 0.00079 -0.00045 0.00491 -0.00175 0.00320 155 3PY -0.00049 0.00219 -0.00536 0.00275 0.00697 156 3PZ -0.00196 0.00539 0.00536 -0.00222 0.00827 157 4XX 0.00014 -0.00020 0.00015 -0.00008 -0.00016 158 4YY 0.00001 -0.00010 0.00003 -0.00005 0.00018 159 4ZZ -0.00011 0.00030 -0.00059 0.00033 -0.00027 160 4XY -0.00005 -0.00012 0.00002 -0.00017 0.00001 161 4XZ 0.00009 -0.00022 0.00062 -0.00036 0.00013 162 4YZ 0.00002 -0.00001 -0.00022 -0.00010 -0.00034 163 17 C 1S 0.00056 -0.00121 0.00340 -0.00124 0.00207 164 2S -0.00120 0.00285 -0.01021 0.00432 -0.00746 165 2PX 0.00080 0.00142 -0.00147 -0.00079 -0.00417 166 2PY 0.00124 -0.00433 0.01044 -0.00491 0.00707 167 2PZ 0.00310 -0.00735 0.02074 -0.00873 0.01612 168 3S -0.00158 0.00600 -0.01740 0.00717 0.00617 169 3PX 0.00117 -0.00093 -0.00523 0.00145 0.00552 170 3PY 0.00182 -0.00563 0.00365 0.00156 -0.00606 171 3PZ 0.00067 -0.00123 0.01495 -0.00599 0.00566 172 4XX 0.00057 -0.00098 0.00081 -0.00036 0.00043 173 4YY 0.00008 0.00019 -0.00040 0.00025 0.00029 174 4ZZ -0.00023 0.00075 -0.00078 0.00058 -0.00058 175 4XY -0.00029 0.00059 -0.00095 0.00068 -0.00043 176 4XZ 0.00028 -0.00067 0.00160 -0.00070 0.00072 177 4YZ -0.00058 0.00129 -0.00261 0.00118 -0.00161 178 18 H 1S -0.00158 0.00449 -0.01094 0.00486 -0.01167 179 2S -0.00255 0.00427 -0.00741 0.00757 -0.01515 180 19 H 1S 0.00453 -0.01158 0.00920 0.00213 0.02062 181 2S 0.00361 -0.00775 -0.00274 0.00487 0.02496 182 20 H 1S 0.00024 -0.00040 0.00237 0.00035 0.00135 183 2S -0.00025 0.00095 0.00527 -0.00077 0.00440 184 21 H 1S -0.00010 0.00050 -0.00128 0.00069 -0.00120 185 2S -0.00006 0.00073 -0.00297 0.00146 -0.00545 186 22 O 1S -0.00011 0.00021 -0.00057 0.00070 -0.00022 187 2S 0.00048 -0.00094 0.00105 -0.00114 0.00031 188 2PX -0.00182 0.00683 -0.01243 0.00553 -0.00511 189 2PY -0.00067 0.00327 -0.00712 0.00369 -0.00549 190 2PZ -0.00585 0.01209 -0.03065 0.01292 -0.02075 191 3S -0.00064 0.00183 0.00419 -0.00617 0.00327 192 3PX -0.00159 0.00518 -0.00805 0.00351 -0.00402 193 3PY -0.00031 0.00188 -0.00620 0.00431 -0.00380 194 3PZ -0.00465 0.00982 -0.02597 0.01102 -0.01675 195 4XX 0.00012 -0.00011 -0.00001 0.00039 0.00009 196 4YY 0.00006 -0.00033 0.00020 -0.00011 -0.00013 197 4ZZ 0.00000 0.00009 -0.00054 0.00045 -0.00035 198 4XY 0.00007 -0.00032 0.00042 -0.00010 0.00038 199 4XZ -0.00001 0.00004 0.00013 -0.00001 0.00013 200 4YZ 0.00015 -0.00028 0.00065 -0.00028 0.00029 201 23 O 1S -0.00019 0.00028 -0.00148 -0.00181 0.00029 202 2S 0.00108 -0.00053 0.00084 0.00453 0.00116 203 2PX 0.00677 -0.01462 0.04253 0.01206 0.02660 204 2PY -0.00171 0.00124 -0.00639 -0.00043 -0.00376 205 2PZ 0.00658 -0.01323 0.05132 -0.00224 0.03228 206 3S -0.00118 -0.00582 0.01868 0.00656 -0.01053 207 3PX 0.00374 -0.00786 0.03153 0.00786 0.01944 208 3PY -0.00170 -0.00017 -0.00019 0.00155 -0.00543 209 3PZ 0.00415 -0.00879 0.04076 -0.00289 0.02474 210 4XX 0.00028 0.00037 -0.00151 -0.00056 0.00028 211 4YY 0.00030 0.00014 -0.00096 0.00050 0.00042 212 4ZZ 0.00054 0.00011 -0.00032 -0.00004 0.00125 213 4XY 0.00037 -0.00084 0.00214 0.00084 0.00074 214 4XZ -0.00004 0.00006 -0.00009 -0.00030 0.00005 215 4YZ 0.00027 -0.00066 0.00154 0.00026 0.00063 6 7 8 9 10 6 3S 0.34826 7 3PX -0.02863 0.12345 8 3PY 0.00098 0.00060 0.05500 9 3PZ -0.01743 0.04274 -0.00415 0.08841 10 4XX -0.01294 0.00519 -0.00008 -0.00041 0.00154 11 4YY 0.00628 -0.00208 -0.00352 0.00334 -0.00081 12 4ZZ -0.00800 -0.00349 0.00209 -0.00282 0.00022 13 4XY 0.00332 0.00275 -0.00110 -0.00016 0.00001 14 4XZ -0.00569 -0.00165 -0.00176 0.00100 0.00009 15 4YZ -0.00441 -0.00057 0.00286 0.00322 0.00006 16 2 C 1S -0.00856 -0.01218 -0.00926 0.00654 -0.00330 17 2S 0.03679 0.03680 0.02391 -0.01741 0.00590 18 2PX -0.16445 0.00115 -0.04968 0.10591 0.00717 19 2PY -0.01462 -0.04881 0.02217 0.02986 -0.00463 20 2PZ 0.03328 0.13173 -0.00429 0.03363 0.01059 21 3S -0.03004 -0.00989 0.01881 -0.01507 0.00778 22 3PX -0.04555 0.04186 -0.01923 0.05577 0.00510 23 3PY 0.00302 -0.03888 0.01219 0.01165 -0.00277 24 3PZ -0.03366 0.05937 -0.01419 0.03289 0.00766 25 4XX 0.00594 -0.00453 0.00107 -0.00487 -0.00029 26 4YY -0.00498 -0.00198 -0.00297 0.00213 -0.00018 27 4ZZ -0.00067 0.00330 -0.00017 0.00447 -0.00004 28 4XY 0.00785 0.00115 -0.00216 -0.00268 0.00013 29 4XZ -0.00508 -0.00191 -0.00177 -0.00090 -0.00005 30 4YZ -0.00803 -0.00470 -0.00037 -0.00044 0.00038 31 3 C 1S 0.01071 0.00449 0.00304 -0.00116 0.00006 32 2S -0.03497 -0.01699 -0.01205 0.00372 -0.00024 33 2PX 0.04385 -0.00150 -0.00833 -0.00614 0.00646 34 2PY -0.00130 0.01818 -0.02630 -0.02220 0.00128 35 2PZ -0.09318 -0.03877 -0.04483 -0.00821 0.00796 36 3S -0.02762 0.03815 -0.03542 0.00418 0.00250 37 3PX 0.00073 -0.03561 -0.01019 -0.00835 0.00306 38 3PY -0.00414 -0.01171 -0.00165 -0.01052 0.00066 39 3PZ -0.03717 -0.00684 -0.02569 -0.01163 0.00663 40 4XX -0.00086 0.00327 0.00008 0.00124 -0.00010 41 4YY 0.00462 0.00050 0.00262 -0.00033 0.00017 42 4ZZ 0.00077 -0.00186 -0.00089 -0.00169 -0.00009 43 4XY 0.00771 -0.00016 0.00284 -0.00481 -0.00036 44 4XZ 0.00031 -0.00013 0.00053 0.00076 0.00011 45 4YZ -0.00203 -0.00694 -0.00063 -0.00190 -0.00037 46 4 C 1S 0.02225 -0.00221 0.01002 -0.00587 0.00060 47 2S -0.03448 0.00760 -0.01433 0.00786 -0.00170 48 2PX -0.05579 -0.09068 -0.03457 -0.04061 0.00064 49 2PY 0.05706 -0.02306 0.01047 0.01625 0.00310 50 2PZ 0.05607 -0.05081 -0.00167 -0.05625 -0.00113 51 3S -0.03039 -0.01283 -0.01145 0.02699 -0.00491 52 3PX -0.01283 -0.08253 -0.01229 -0.04128 -0.00034 53 3PY 0.01145 0.01229 -0.00374 0.00866 0.00320 54 3PZ 0.02699 -0.04128 -0.00866 -0.03855 -0.00068 55 4XX -0.00491 -0.00034 -0.00320 -0.00068 0.00069 56 4YY 0.00857 -0.00228 0.00519 0.00160 -0.00038 57 4ZZ -0.00106 0.00255 -0.00078 -0.00101 -0.00012 58 4XY 0.00206 0.00104 0.00058 -0.00110 -0.00002 59 4XZ 0.00103 0.00030 0.00020 0.00052 0.00019 60 4YZ 0.00086 -0.00153 0.00086 0.00060 0.00005 61 5 H 1S 0.13648 -0.00946 -0.07951 0.02550 -0.00857 62 2S 0.04306 0.01126 -0.05456 0.02621 -0.00561 63 6 H 1S -0.05788 -0.02140 -0.00933 0.01195 0.00248 64 2S -0.05989 -0.03823 -0.00846 0.01559 0.00025 65 7 H 1S 0.04296 0.02338 0.00293 -0.01060 -0.00009 66 2S 0.04959 0.03988 0.00922 -0.01230 0.00043 67 8 H 1S 0.04281 -0.01646 0.01299 0.01188 -0.00009 68 2S 0.05261 -0.03535 0.02475 0.00168 -0.00140 69 9 C 1S -0.00121 0.00107 -0.01027 -0.00275 0.00197 70 2S 0.02020 -0.00793 0.02774 0.01298 -0.00497 71 2PX 0.02819 0.00323 0.01176 0.01871 -0.00769 72 2PY -0.07463 0.04034 -0.04571 -0.08014 0.00363 73 2PZ -0.09527 0.02687 -0.04875 -0.02725 0.00562 74 3S -0.02468 0.00393 0.02365 0.01055 -0.00145 75 3PX -0.00055 0.00695 0.00044 0.01148 -0.00249 76 3PY -0.00571 0.02095 -0.01963 -0.04240 0.00141 77 3PZ -0.01528 0.00289 -0.01042 -0.01664 -0.00079 78 4XX -0.00672 0.00246 -0.00200 -0.00108 0.00070 79 4YY 0.00846 -0.00170 -0.00116 0.00276 -0.00050 80 4ZZ -0.00006 -0.00013 0.00112 -0.00269 -0.00015 81 4XY -0.00361 -0.00634 -0.00210 -0.00496 -0.00008 82 4XZ -0.00170 -0.00124 -0.00136 -0.00037 -0.00026 83 4YZ 0.00934 -0.00529 0.00247 -0.00051 -0.00027 84 10 H 1S -0.03687 0.00848 -0.00796 -0.01133 0.00497 85 2S -0.04455 0.01891 -0.01766 -0.00531 0.00637 86 11 H 1S -0.03165 0.00839 -0.00939 -0.00847 -0.00180 87 2S -0.03246 0.00469 -0.01610 -0.01497 0.00055 88 12 C 1S -0.00204 -0.00196 -0.00255 -0.00021 -0.00061 89 2S -0.00498 0.00329 -0.00104 0.00214 0.00105 90 2PX -0.02385 0.03415 -0.00745 0.01414 0.00574 91 2PY -0.00561 -0.02262 -0.01962 -0.01360 0.00133 92 2PZ -0.03620 0.04063 -0.00690 0.00862 0.00424 93 3S -0.03013 0.01035 -0.01258 -0.01339 0.00341 94 3PX -0.02537 0.02736 -0.00766 0.01665 0.00381 95 3PY 0.00052 -0.00683 -0.00961 0.00028 0.00158 96 3PZ -0.03115 0.04063 -0.00803 0.00951 0.00426 97 4XX 0.00082 0.00024 0.00046 0.00030 -0.00024 98 4YY 0.00020 0.00010 0.00049 0.00001 0.00005 99 4ZZ 0.00037 0.00047 -0.00053 0.00063 0.00011 100 4XY 0.00045 0.00315 0.00040 0.00310 -0.00004 101 4XZ 0.00022 0.00233 0.00099 0.00139 -0.00009 102 4YZ -0.00088 0.00400 0.00043 0.00262 -0.00019 103 13 C 1S 0.01599 -0.00175 0.00381 -0.00314 -0.00129 104 2S -0.01073 0.00447 0.00250 0.00128 0.00225 105 2PX -0.00311 -0.05779 -0.00800 -0.05632 0.00173 106 2PY 0.01239 0.01569 0.01863 0.00853 -0.00209 107 2PZ 0.01790 -0.06835 -0.00622 -0.05215 0.00414 108 3S -0.00436 -0.00234 -0.00873 0.01416 0.00430 109 3PX -0.00432 -0.03930 -0.00559 -0.04660 0.00214 110 3PY 0.01641 0.00220 0.01047 0.00819 -0.00189 111 3PZ 0.00596 -0.05621 -0.00928 -0.03786 0.00262 112 4XX 0.00293 -0.00136 0.00047 -0.00205 -0.00025 113 4YY -0.00112 0.00130 -0.00007 0.00093 0.00004 114 4ZZ -0.00104 -0.00190 -0.00048 -0.00023 0.00002 115 4XY -0.00142 0.00243 0.00020 0.00165 0.00033 116 4XZ 0.00442 -0.00321 0.00073 -0.00197 -0.00031 117 4YZ -0.00285 0.00372 -0.00009 0.00144 0.00019 118 14 C 1S -0.00371 -0.00522 -0.00388 -0.00102 -0.00088 119 2S -0.00012 0.00885 0.00114 0.00612 0.00152 120 2PX -0.02680 -0.01253 0.00130 0.00399 0.00360 121 2PY -0.01249 0.01094 -0.00159 -0.00073 0.00099 122 2PZ -0.03183 -0.02535 0.00027 -0.01375 0.00137 123 3S 0.00325 0.00164 0.00059 -0.00178 0.00045 124 3PX -0.01674 -0.00539 0.00374 -0.00144 0.00116 125 3PY -0.00368 0.00850 0.00422 -0.00399 0.00033 126 3PZ -0.02075 -0.01175 -0.00167 0.00002 0.00153 127 4XX 0.00060 -0.00304 -0.00101 -0.00296 0.00018 128 4YY 0.00008 0.00113 0.00117 0.00074 -0.00009 129 4ZZ -0.00093 0.00222 -0.00014 0.00149 -0.00012 130 4XY 0.00273 -0.00126 -0.00186 0.00033 0.00014 131 4XZ 0.00185 -0.00220 -0.00025 -0.00119 -0.00006 132 4YZ 0.00094 -0.00259 -0.00046 -0.00350 -0.00004 133 15 C 1S 0.00069 -0.00062 -0.00193 0.00238 0.00020 134 2S -0.00457 0.00229 0.00310 -0.00537 -0.00027 135 2PX -0.01399 0.00442 -0.00482 0.00157 -0.00078 136 2PY 0.00857 -0.00179 -0.00082 0.00383 0.00000 137 2PZ -0.00471 0.00082 -0.00838 0.01735 -0.00057 138 3S -0.00443 -0.00564 0.01143 -0.01310 -0.00132 139 3PX -0.00569 0.00246 -0.00230 0.00385 -0.00083 140 3PY 0.00604 -0.00383 0.00252 0.00153 -0.00031 141 3PZ -0.00252 0.00271 -0.00462 0.01044 -0.00051 142 4XX -0.00130 -0.00026 -0.00012 -0.00009 0.00015 143 4YY 0.00049 -0.00024 -0.00010 0.00022 -0.00002 144 4ZZ 0.00076 0.00086 0.00005 0.00045 -0.00007 145 4XY 0.00035 0.00049 -0.00044 0.00083 -0.00004 146 4XZ -0.00023 -0.00057 -0.00023 -0.00025 0.00003 147 4YZ 0.00044 0.00051 -0.00055 0.00027 -0.00008 148 16 C 1S -0.00218 -0.00017 -0.00066 -0.00121 -0.00005 149 2S 0.00447 -0.00121 -0.00005 0.00342 -0.00002 150 2PX -0.00184 0.00786 -0.00997 0.01491 -0.00056 151 2PY -0.00360 0.00195 -0.00015 0.00226 0.00033 152 2PZ -0.00386 0.01071 -0.00872 0.01193 -0.00131 153 3S -0.00372 0.00579 -0.00731 0.00774 0.00138 154 3PX -0.00197 0.00439 -0.00706 0.00703 -0.00037 155 3PY 0.00023 -0.00203 0.00435 -0.00018 -0.00023 156 3PZ 0.00212 0.00706 -0.00608 0.00885 -0.00126 157 4XX -0.00084 0.00015 -0.00048 -0.00004 0.00007 158 4YY 0.00011 0.00016 0.00025 -0.00006 -0.00001 159 4ZZ 0.00037 -0.00060 0.00024 -0.00030 -0.00007 160 4XY 0.00067 -0.00013 0.00014 0.00010 0.00004 161 4XZ -0.00030 0.00055 -0.00014 0.00019 0.00007 162 4YZ 0.00006 -0.00011 0.00034 -0.00082 0.00001 163 17 C 1S -0.00022 0.00341 0.00030 0.00217 0.00040 164 2S -0.00031 -0.00941 -0.00189 -0.00671 -0.00055 165 2PX -0.01433 -0.00069 -0.01152 -0.00639 0.00023 166 2PY 0.00282 0.01262 0.00821 0.00386 0.00048 167 2PZ -0.00300 0.01882 -0.00303 0.01383 0.00140 168 3S 0.00526 -0.00968 0.00125 0.00081 -0.00164 169 3PX -0.00541 -0.00099 -0.00135 0.00038 -0.00014 170 3PY -0.00367 0.00209 -0.00127 -0.00238 0.00108 171 3PZ -0.00125 0.00983 -0.00394 0.00521 0.00098 172 4XX -0.00146 0.00108 -0.00051 0.00027 0.00029 173 4YY 0.00080 -0.00014 0.00093 0.00007 -0.00011 174 4ZZ 0.00052 -0.00120 -0.00055 -0.00010 -0.00012 175 4XY 0.00092 -0.00134 0.00002 -0.00020 -0.00008 176 4XZ -0.00056 0.00182 0.00026 0.00063 0.00011 177 4YZ 0.00228 -0.00312 0.00120 -0.00200 -0.00033 178 18 H 1S 0.00848 -0.01954 -0.00611 -0.00674 0.00074 179 2S 0.01079 -0.01494 -0.00418 -0.00641 0.00049 180 19 H 1S -0.02325 0.01705 -0.00468 0.00976 0.00033 181 2S -0.02170 0.00906 -0.00254 0.00713 -0.00076 182 20 H 1S 0.00006 0.00064 0.00098 0.00285 0.00013 183 2S 0.00211 0.00180 -0.00112 0.00736 0.00030 184 21 H 1S -0.00134 -0.00040 0.00146 -0.00242 -0.00021 185 2S -0.00305 -0.00268 0.00138 -0.00654 -0.00043 186 22 O 1S -0.00056 -0.00044 -0.00039 -0.00027 -0.00002 187 2S 0.00135 0.00154 0.00156 0.00028 0.00003 188 2PX 0.00139 -0.01369 -0.00280 -0.00344 -0.00122 189 2PY -0.00251 -0.01065 -0.00890 -0.00242 0.00002 190 2PZ 0.02649 -0.03503 0.01186 -0.02332 -0.00285 191 3S 0.00031 0.00215 -0.00086 0.00244 -0.00035 192 3PX 0.00260 -0.00986 -0.00109 -0.00225 -0.00099 193 3PY -0.00022 -0.00745 -0.00427 -0.00203 0.00003 194 3PZ 0.02025 -0.02846 0.00946 -0.01842 -0.00240 195 4XX -0.00011 0.00007 -0.00006 0.00009 0.00005 196 4YY 0.00005 0.00045 0.00046 -0.00016 0.00001 197 4ZZ 0.00032 -0.00047 0.00004 -0.00024 -0.00001 198 4XY 0.00029 0.00053 0.00043 0.00035 0.00005 199 4XZ 0.00016 0.00010 0.00011 0.00007 -0.00001 200 4YZ -0.00102 0.00087 -0.00046 0.00054 0.00009 201 23 O 1S 0.00539 0.00134 -0.00306 0.00104 0.00007 202 2S -0.00709 -0.00499 0.00752 -0.00132 -0.00037 203 2PX -0.04732 0.01494 0.03252 0.00074 0.00005 204 2PY 0.02927 -0.00199 -0.00191 0.00436 -0.00061 205 2PZ -0.02953 0.01997 0.00175 0.03813 0.00192 206 3S -0.01885 0.00055 0.01197 -0.00682 0.00007 207 3PX -0.02998 0.01243 0.02331 0.00021 -0.00036 208 3PY 0.01540 0.00010 -0.00053 0.00135 -0.00019 209 3PZ -0.01711 0.01810 0.00200 0.02829 0.00103 210 4XX 0.00005 -0.00072 -0.00032 -0.00020 -0.00001 211 4YY 0.00212 -0.00011 -0.00023 0.00056 -0.00003 212 4ZZ -0.00032 0.00015 -0.00021 0.00066 -0.00002 213 4XY -0.00253 0.00031 0.00138 0.00019 0.00010 214 4XZ -0.00014 -0.00026 0.00009 0.00002 0.00000 215 4YZ -0.00207 0.00007 0.00019 0.00113 0.00012 11 12 13 14 15 11 4YY 0.00174 12 4ZZ -0.00043 0.00111 13 4XY 0.00010 -0.00025 0.00062 14 4XZ 0.00020 0.00008 -0.00005 0.00068 15 4YZ -0.00029 0.00027 -0.00046 0.00010 0.00095 16 2 C 1S 0.00285 -0.00003 -0.00282 0.00455 0.00200 17 2S -0.00619 -0.00054 0.00566 -0.00869 -0.00420 18 2PX 0.00444 -0.00132 -0.00467 0.00687 0.00690 19 2PY 0.00939 -0.00022 0.00687 0.00404 -0.00524 20 2PZ -0.00538 -0.01107 0.00707 0.00017 -0.00128 21 3S -0.01008 0.00325 0.00258 -0.00620 -0.00069 22 3PX 0.00163 -0.00357 -0.00020 0.00256 0.00192 23 3PY 0.00248 0.00104 0.00116 0.00177 -0.00013 24 3PZ -0.00298 -0.00530 0.00205 0.00192 0.00094 25 4XX -0.00024 0.00017 -0.00034 -0.00002 0.00014 26 4YY 0.00074 -0.00004 0.00016 0.00023 -0.00032 27 4ZZ 0.00006 -0.00016 -0.00024 0.00013 0.00049 28 4XY -0.00006 -0.00039 0.00034 0.00012 -0.00033 29 4XZ 0.00028 0.00018 0.00006 0.00044 -0.00027 30 4YZ -0.00020 0.00017 -0.00026 0.00012 0.00039 31 3 C 1S -0.00137 0.00033 -0.00168 -0.00002 0.00158 32 2S 0.00342 -0.00019 0.00324 -0.00005 -0.00346 33 2PX -0.00372 -0.00349 0.00009 0.00359 0.00332 34 2PY -0.00662 0.00092 -0.00814 0.00046 0.00660 35 2PZ -0.00094 -0.00422 0.00180 0.00303 0.00060 36 3S 0.00368 -0.00294 0.00464 0.00054 -0.00576 37 3PX -0.00113 -0.00131 -0.00054 0.00290 0.00202 38 3PY -0.00399 0.00157 -0.00302 -0.00038 0.00296 39 3PZ -0.00248 -0.00314 0.00117 0.00182 0.00036 40 4XX 0.00008 -0.00003 -0.00033 0.00007 0.00013 41 4YY -0.00041 0.00007 0.00031 -0.00034 -0.00016 42 4ZZ 0.00003 -0.00005 -0.00021 0.00013 0.00031 43 4XY -0.00004 0.00000 0.00008 -0.00020 -0.00013 44 4XZ -0.00023 0.00018 0.00010 0.00001 -0.00012 45 4YZ 0.00012 0.00047 -0.00016 -0.00007 -0.00009 46 4 C 1S -0.00299 0.00080 0.00042 -0.00034 -0.00007 47 2S 0.00643 -0.00256 -0.00108 0.00056 -0.00038 48 2PX -0.00321 0.00277 0.00037 0.00009 0.00110 49 2PY -0.01255 0.00549 0.00100 -0.00165 0.00053 50 2PZ 0.00349 -0.00251 0.00120 0.00117 0.00121 51 3S 0.00857 -0.00106 -0.00206 0.00103 -0.00086 52 3PX -0.00228 0.00255 -0.00104 0.00030 0.00154 53 3PY -0.00519 0.00078 0.00058 -0.00020 0.00086 54 3PZ 0.00160 -0.00101 0.00110 0.00052 -0.00060 55 4XX -0.00038 -0.00012 0.00002 0.00019 -0.00005 56 4YY -0.00010 0.00001 0.00001 -0.00022 0.00033 57 4ZZ 0.00001 0.00033 0.00006 0.00001 -0.00016 58 4XY -0.00001 -0.00006 -0.00038 -0.00007 0.00017 59 4XZ -0.00022 0.00001 0.00007 0.00031 0.00011 60 4YZ -0.00033 0.00016 0.00017 -0.00011 -0.00036 61 5 H 1S 0.01352 -0.00743 0.00359 0.00054 -0.00746 62 2S 0.01161 -0.00495 0.00315 0.00096 -0.00642 63 6 H 1S -0.00235 0.00349 -0.00496 -0.00238 0.00423 64 2S -0.00069 0.00325 -0.00590 -0.00011 0.00553 65 7 H 1S -0.00184 -0.00045 -0.00181 0.00009 0.00180 66 2S -0.00218 -0.00148 -0.00159 -0.00035 0.00196 67 8 H 1S -0.00369 0.00170 0.00058 -0.00092 0.00042 68 2S -0.00398 0.00255 0.00069 -0.00156 0.00061 69 9 C 1S -0.00265 -0.00113 0.00236 0.00125 -0.00514 70 2S 0.00463 0.00172 -0.00467 -0.00242 0.00961 71 2PX 0.00327 0.00244 0.00428 0.00654 0.00465 72 2PY 0.00682 -0.00305 0.00320 0.00182 -0.00847 73 2PZ -0.00833 0.01001 0.00474 0.00062 -0.00352 74 3S 0.00116 0.00223 -0.00649 -0.00161 0.01206 75 3PX 0.00081 0.00101 0.00250 0.00317 0.00239 76 3PY 0.00284 -0.00211 0.00205 0.00034 -0.00439 77 3PZ -0.00182 0.00499 0.00260 -0.00109 -0.00266 78 4XX -0.00051 0.00016 0.00010 -0.00025 -0.00014 79 4YY 0.00060 -0.00049 0.00005 0.00009 -0.00016 80 4ZZ -0.00019 0.00036 0.00011 0.00009 -0.00008 81 4XY 0.00025 0.00016 -0.00008 0.00017 -0.00015 82 4XZ -0.00007 0.00065 0.00010 0.00052 0.00009 83 4YZ -0.00048 0.00015 -0.00008 -0.00019 0.00029 84 10 H 1S -0.00263 0.00063 -0.00275 -0.00505 0.00003 85 2S -0.00351 -0.00087 -0.00026 -0.00360 -0.00169 86 11 H 1S -0.00181 0.00740 0.00218 0.00249 0.00300 87 2S -0.00312 0.00601 0.00230 0.00373 0.00017 88 12 C 1S 0.00000 0.00029 0.00031 -0.00050 0.00040 89 2S -0.00032 -0.00014 -0.00029 0.00081 -0.00049 90 2PX -0.00179 -0.00093 -0.00060 0.00515 -0.00108 91 2PY -0.00057 0.00060 0.00101 0.00091 0.00134 92 2PZ -0.00177 0.00025 -0.00046 0.00443 -0.00110 93 3S -0.00018 -0.00080 0.00040 0.00209 -0.00129 94 3PX -0.00131 -0.00021 -0.00032 0.00373 -0.00051 95 3PY -0.00144 0.00016 0.00032 0.00107 0.00082 96 3PZ -0.00149 -0.00033 -0.00002 0.00348 -0.00073 97 4XX 0.00010 0.00007 0.00003 -0.00016 0.00000 98 4YY -0.00011 0.00001 0.00000 0.00006 -0.00002 99 4ZZ 0.00006 -0.00013 0.00001 0.00002 0.00005 100 4XY 0.00012 -0.00016 0.00004 -0.00021 0.00001 101 4XZ 0.00013 -0.00008 -0.00007 -0.00005 -0.00004 102 4YZ 0.00012 0.00001 0.00007 -0.00014 0.00002 103 13 C 1S 0.00043 -0.00073 0.00010 -0.00116 -0.00010 104 2S -0.00208 0.00042 -0.00034 0.00307 -0.00021 105 2PX -0.00353 0.00380 -0.00145 0.00573 -0.00087 106 2PY 0.00136 -0.00071 -0.00104 -0.00240 -0.00149 107 2PZ -0.00324 0.00031 -0.00123 0.00370 -0.00138 108 3S -0.00466 0.00026 -0.00070 0.00475 0.00120 109 3PX -0.00315 0.00258 -0.00052 0.00385 -0.00098 110 3PY 0.00057 0.00013 -0.00067 -0.00166 -0.00003 111 3PZ -0.00280 0.00123 -0.00123 0.00339 -0.00022 112 4XX 0.00007 0.00008 0.00005 -0.00027 -0.00006 113 4YY 0.00007 -0.00005 0.00002 0.00000 -0.00006 114 4ZZ 0.00002 0.00004 -0.00005 0.00009 0.00012 115 4XY -0.00009 -0.00013 -0.00001 0.00015 0.00003 116 4XZ 0.00011 0.00001 -0.00011 -0.00016 -0.00005 117 4YZ -0.00011 0.00006 -0.00003 0.00021 0.00004 118 14 C 1S 0.00007 0.00015 -0.00026 0.00012 -0.00007 119 2S -0.00044 -0.00077 0.00060 -0.00001 0.00033 120 2PX -0.00203 -0.00124 0.00059 0.00175 0.00066 121 2PY 0.00009 -0.00036 0.00055 -0.00019 0.00006 122 2PZ -0.00126 0.00121 -0.00007 0.00173 0.00002 123 3S 0.00066 -0.00046 0.00067 -0.00073 -0.00040 124 3PX -0.00048 -0.00012 0.00026 0.00058 0.00008 125 3PY -0.00030 0.00013 0.00047 -0.00073 -0.00050 126 3PZ -0.00089 0.00001 0.00005 0.00108 0.00038 127 4XX -0.00015 0.00010 -0.00005 0.00031 -0.00005 128 4YY 0.00005 -0.00006 -0.00002 -0.00012 -0.00004 129 4ZZ 0.00009 0.00001 0.00004 -0.00011 0.00005 130 4XY -0.00008 -0.00002 -0.00007 0.00014 -0.00004 131 4XZ 0.00002 0.00000 -0.00007 -0.00001 -0.00005 132 4YZ -0.00008 0.00019 -0.00007 0.00012 -0.00005 133 15 C 1S -0.00003 -0.00012 -0.00007 -0.00001 -0.00007 134 2S 0.00013 0.00044 0.00018 0.00017 -0.00004 135 2PX 0.00054 0.00095 0.00054 -0.00030 0.00000 136 2PY -0.00003 -0.00040 -0.00011 0.00014 -0.00002 137 2PZ 0.00036 -0.00011 0.00047 -0.00020 0.00023 138 3S 0.00003 0.00102 -0.00021 0.00001 0.00040 139 3PX 0.00039 0.00054 0.00020 -0.00025 0.00019 140 3PY 0.00001 -0.00036 -0.00009 -0.00028 0.00028 141 3PZ 0.00028 0.00007 0.00034 -0.00036 0.00009 142 4XX -0.00009 -0.00002 0.00001 0.00006 0.00001 143 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 144 4ZZ 0.00006 -0.00004 0.00001 -0.00007 -0.00001 145 4XY 0.00004 -0.00003 0.00001 -0.00001 0.00000 146 4XZ -0.00004 0.00002 -0.00003 0.00003 -0.00001 147 4YZ 0.00006 0.00004 0.00002 -0.00004 -0.00002 148 16 C 1S -0.00004 0.00010 0.00002 -0.00021 -0.00002 149 2S 0.00005 -0.00009 0.00001 0.00051 0.00007 150 2PX 0.00072 0.00008 0.00046 0.00013 0.00001 151 2PY -0.00004 -0.00011 0.00005 0.00003 0.00005 152 2PZ 0.00096 0.00032 0.00063 -0.00088 -0.00005 153 3S 0.00021 -0.00043 -0.00015 0.00110 -0.00039 154 3PX 0.00070 0.00002 0.00024 -0.00006 -0.00011 155 3PY -0.00006 0.00004 -0.00007 0.00002 0.00018 156 3PZ 0.00078 0.00026 0.00038 -0.00067 -0.00005 157 4XX -0.00003 0.00001 0.00001 0.00004 0.00000 158 4YY 0.00000 0.00000 0.00001 0.00003 0.00000 159 4ZZ 0.00001 0.00002 0.00000 -0.00005 0.00001 160 4XY -0.00002 -0.00004 -0.00001 0.00004 0.00000 161 4XZ -0.00002 -0.00003 -0.00001 0.00001 -0.00002 162 4YZ -0.00001 0.00001 -0.00001 -0.00002 -0.00001 163 17 C 1S 0.00013 -0.00010 -0.00015 0.00006 -0.00015 164 2S -0.00020 0.00055 0.00031 0.00012 0.00034 165 2PX -0.00020 0.00088 0.00052 0.00022 0.00016 166 2PY -0.00012 -0.00081 -0.00018 -0.00004 -0.00031 167 2PZ -0.00015 -0.00069 0.00016 0.00114 -0.00025 168 3S 0.00012 0.00103 0.00012 -0.00036 0.00045 169 3PX 0.00013 0.00038 0.00011 0.00019 0.00009 170 3PY -0.00005 -0.00044 -0.00010 0.00043 -0.00001 171 3PZ -0.00024 -0.00058 0.00034 0.00036 -0.00004 172 4XX -0.00012 -0.00001 -0.00002 0.00025 -0.00001 173 4YY 0.00003 -0.00002 -0.00005 -0.00009 -0.00001 174 4ZZ 0.00007 0.00002 0.00001 -0.00011 0.00003 175 4XY 0.00005 0.00000 0.00000 -0.00007 0.00002 176 4XZ -0.00002 -0.00005 -0.00002 0.00005 -0.00005 177 4YZ 0.00006 0.00008 0.00001 -0.00028 0.00006 178 18 H 1S -0.00014 -0.00037 0.00019 0.00003 0.00042 179 2S -0.00004 -0.00034 0.00006 -0.00019 0.00040 180 19 H 1S -0.00073 0.00131 0.00029 0.00186 0.00093 181 2S 0.00007 0.00150 -0.00016 0.00083 0.00113 182 20 H 1S -0.00004 -0.00028 0.00003 0.00004 0.00009 183 2S 0.00003 -0.00060 0.00005 -0.00008 0.00011 184 21 H 1S 0.00005 0.00015 0.00003 -0.00023 0.00002 185 2S 0.00007 0.00040 0.00009 -0.00049 0.00000 186 22 O 1S -0.00008 0.00005 0.00004 0.00004 0.00003 187 2S 0.00014 -0.00020 -0.00013 -0.00013 -0.00004 188 2PX 0.00077 0.00024 -0.00011 -0.00114 0.00006 189 2PY 0.00020 0.00053 0.00006 0.00003 0.00023 190 2PZ 0.00018 0.00081 0.00005 -0.00225 0.00063 191 3S 0.00024 0.00001 0.00004 -0.00031 -0.00021 192 3PX 0.00060 0.00010 -0.00012 -0.00094 0.00002 193 3PY 0.00008 0.00029 -0.00002 0.00000 0.00021 194 3PZ 0.00020 0.00076 -0.00002 -0.00182 0.00048 195 4XX -0.00002 0.00000 -0.00001 0.00002 0.00001 196 4YY -0.00001 -0.00004 -0.00001 0.00001 0.00000 197 4ZZ 0.00001 0.00000 -0.00002 -0.00002 0.00002 198 4XY -0.00003 -0.00003 -0.00001 0.00005 -0.00001 199 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 200 4YZ -0.00001 -0.00002 -0.00001 0.00007 -0.00002 201 23 O 1S 0.00003 -0.00012 0.00010 0.00007 -0.00004 202 2S -0.00018 -0.00002 -0.00039 -0.00006 0.00017 203 2PX -0.00034 -0.00065 0.00083 -0.00132 0.00072 204 2PY 0.00012 -0.00006 -0.00026 -0.00033 -0.00019 205 2PZ 0.00005 -0.00159 0.00067 -0.00016 0.00068 206 3S -0.00084 0.00030 -0.00003 -0.00035 -0.00015 207 3PX -0.00009 -0.00040 0.00057 -0.00122 0.00044 208 3PY -0.00018 0.00008 -0.00008 -0.00024 -0.00016 209 3PZ 0.00027 -0.00122 0.00053 -0.00044 0.00041 210 4XX 0.00004 -0.00002 -0.00002 0.00004 0.00000 211 4YY 0.00001 -0.00001 -0.00003 -0.00002 0.00003 212 4ZZ 0.00004 -0.00002 -0.00002 0.00000 0.00003 213 4XY -0.00008 -0.00006 0.00005 -0.00001 0.00005 214 4XZ 0.00001 -0.00002 0.00000 0.00000 -0.00001 215 4YZ -0.00004 -0.00003 0.00003 0.00004 0.00003 16 17 18 19 20 16 2 C 1S 2.05350 17 2S -0.06403 0.33137 18 2PX -0.00214 -0.00416 0.37396 19 2PY 0.00016 0.00369 -0.00817 0.41906 20 2PZ -0.00062 0.00592 -0.04446 0.00045 0.37852 21 3S -0.16656 0.25600 0.04393 -0.01077 -0.02271 22 3PX -0.00541 0.02252 0.15182 -0.00258 0.05816 23 3PY 0.00323 -0.01831 0.00384 0.13604 -0.02126 24 3PZ 0.00294 -0.01327 0.05147 -0.01065 0.18504 25 4XX -0.01548 -0.00686 -0.00773 -0.00925 -0.00378 26 4YY -0.01744 -0.00235 0.00622 0.01282 -0.00470 27 4ZZ -0.01464 -0.00826 0.00499 -0.00785 0.00346 28 4XY 0.00183 -0.00345 -0.00612 0.00265 0.01195 29 4XZ 0.00454 -0.00957 -0.00063 0.01006 -0.00095 30 4YZ -0.00208 0.00382 0.01126 -0.00419 -0.00439 31 3 C 1S 0.01690 -0.03343 -0.00499 -0.07810 -0.00017 32 2S -0.03343 0.05785 0.01193 0.16130 -0.00810 33 2PX -0.00499 0.01193 0.10558 0.01751 0.09829 34 2PY 0.07810 -0.16130 -0.01751 -0.31806 0.01666 35 2PZ -0.00017 -0.00810 0.09829 -0.01666 0.13422 36 3S -0.00183 0.03542 0.00458 0.11755 0.06612 37 3PX -0.00117 -0.00667 0.07477 0.02476 0.03432 38 3PY 0.01159 -0.04016 -0.00660 -0.09531 -0.00410 39 3PZ -0.00185 0.00501 0.05778 -0.02657 0.10938 40 4XX 0.00281 -0.00636 -0.00053 -0.00996 -0.00098 41 4YY -0.00697 0.01254 -0.00248 0.00645 0.00115 42 4ZZ 0.00264 -0.00615 0.00111 -0.00860 -0.00050 43 4XY 0.00023 0.00003 -0.01308 0.00141 -0.00028 44 4XZ -0.00085 0.00218 0.00024 0.00341 -0.00030 45 4YZ -0.00014 0.00014 0.00005 0.00030 -0.01363 46 4 C 1S -0.00481 0.01159 -0.00660 0.01019 0.00881 47 2S 0.01206 -0.02776 0.01693 -0.03248 -0.01684 48 2PX 0.00706 -0.02539 -0.00238 -0.03181 -0.01121 49 2PY -0.01466 0.03290 -0.01893 0.02053 0.01383 50 2PZ -0.00217 0.00853 0.00602 0.02544 -0.00561 51 3S 0.01071 -0.03497 0.04385 0.00130 -0.09318 52 3PX 0.00449 -0.01699 -0.00150 -0.01818 -0.03877 53 3PY -0.00304 0.01205 0.00833 -0.02630 0.04483 54 3PZ -0.00116 0.00372 -0.00614 0.02220 -0.00822 55 4XX 0.00006 -0.00024 0.00646 -0.00128 0.00796 56 4YY -0.00137 0.00342 -0.00372 0.00662 -0.00094 57 4ZZ 0.00033 -0.00019 -0.00349 -0.00092 -0.00422 58 4XY 0.00168 -0.00324 -0.00009 -0.00814 -0.00180 59 4XZ -0.00002 -0.00005 0.00359 -0.00046 0.00303 60 4YZ -0.00158 0.00346 -0.00332 0.00660 -0.00060 61 5 H 1S 0.01219 -0.02477 0.02916 0.03156 -0.01805 62 2S 0.01116 -0.01992 0.03480 0.05770 -0.02617 63 6 H 1S -0.06256 0.11660 0.15490 -0.15405 -0.15067 64 2S -0.01360 0.02417 0.13610 -0.13143 -0.13517 65 7 H 1S 0.01288 -0.02651 -0.01715 -0.04449 0.01074 66 2S 0.01472 -0.02540 -0.03286 -0.08019 0.03468 67 8 H 1S -0.00894 0.02001 -0.01118 0.03151 -0.00509 68 2S -0.01189 0.02558 -0.03472 0.05913 -0.02090 69 9 C 1S -0.00478 0.00984 -0.00634 0.00742 0.01093 70 2S 0.01044 -0.02368 0.01066 -0.01219 -0.03541 71 2PX 0.01014 -0.02595 0.00051 -0.00410 -0.03392 72 2PY -0.00122 0.00984 -0.03563 -0.02201 0.00423 73 2PZ -0.01389 0.03186 -0.03726 0.01763 0.00608 74 3S 0.02050 -0.04110 0.04923 -0.08734 -0.01933 75 3PX 0.00620 -0.01160 0.00654 -0.00655 0.00112 76 3PY -0.00288 0.01050 -0.03783 -0.01118 0.01734 77 3PZ -0.01041 0.02207 -0.05816 0.03821 -0.03226 78 4XX -0.00145 0.00325 -0.00042 0.00008 0.00680 79 4YY 0.00095 -0.00197 0.00359 0.00075 -0.00255 80 4ZZ -0.00023 0.00060 -0.00690 -0.00106 -0.00257 81 4XY 0.00115 -0.00249 0.00036 0.00076 -0.00700 82 4XZ 0.00133 -0.00299 0.00194 0.00077 -0.00832 83 4YZ -0.00069 0.00116 -0.00407 0.00063 -0.00039 84 10 H 1S -0.00834 0.01995 -0.00743 -0.00452 0.03274 85 2S -0.01086 0.02642 -0.00307 -0.00239 0.07087 86 11 H 1S 0.00105 -0.00345 -0.02090 0.00265 -0.03262 87 2S 0.00012 -0.00154 -0.00979 0.00281 -0.01650 88 12 C 1S -0.00065 0.00087 -0.00838 0.00159 -0.00802 89 2S 0.00016 -0.00050 0.01597 -0.00077 0.01638 90 2PX 0.00211 -0.00557 0.06593 -0.00743 0.06825 91 2PY -0.00050 -0.00086 0.00322 0.00036 0.00707 92 2PZ 0.00103 -0.00422 0.04620 -0.00371 0.04569 93 3S 0.00336 -0.00405 0.03427 -0.01498 0.04233 94 3PX -0.00044 -0.00586 0.05450 -0.00408 0.04383 95 3PY 0.00045 0.00025 0.01170 -0.00192 0.01988 96 3PZ 0.00299 -0.00258 0.04042 -0.00937 0.05284 97 4XX -0.00022 0.00033 -0.00326 0.00019 -0.00309 98 4YY -0.00016 0.00019 0.00046 0.00032 0.00073 99 4ZZ -0.00023 0.00020 0.00164 -0.00009 0.00199 100 4XY -0.00007 0.00075 -0.00012 -0.00047 0.00089 101 4XZ 0.00017 -0.00020 -0.00011 -0.00043 -0.00065 102 4YZ -0.00003 0.00020 -0.00041 0.00021 -0.00002 103 13 C 1S -0.00144 0.00344 -0.00841 -0.00051 -0.00666 104 2S 0.00204 -0.00522 0.01939 0.00238 0.01539 105 2PX 0.00497 -0.02040 0.01890 0.00523 -0.00176 106 2PY -0.00109 0.00484 -0.01022 -0.00224 -0.00986 107 2PZ -0.00045 0.00009 -0.00010 -0.00198 -0.00745 108 3S 0.00163 -0.01160 0.04472 -0.00485 0.04558 109 3PX 0.00867 -0.00980 0.00131 0.00309 0.00315 110 3PY 0.00117 0.00306 -0.01358 0.00279 -0.01752 111 3PZ -0.00058 -0.00749 0.01575 -0.00400 -0.00987 112 4XX -0.00091 0.00150 -0.00554 -0.00034 -0.00389 113 4YY -0.00016 0.00012 0.00147 0.00009 0.00121 114 4ZZ 0.00017 -0.00108 0.00185 0.00068 -0.00023 115 4XY -0.00022 0.00042 0.00297 -0.00030 0.00375 116 4XZ 0.00032 -0.00035 -0.00325 -0.00003 -0.00363 117 4YZ 0.00031 -0.00050 0.00325 -0.00017 0.00374 118 14 C 1S 0.00036 -0.00277 0.00023 0.00030 -0.00175 119 2S -0.00219 0.00558 -0.00009 -0.00341 0.00790 120 2PX -0.00195 0.00563 0.00830 -0.00271 0.01455 121 2PY -0.00124 0.00377 -0.00125 -0.00122 0.00408 122 2PZ 0.00113 -0.00609 0.00477 0.00076 -0.00121 123 3S 0.00498 0.00632 -0.01329 0.00835 -0.01097 124 3PX 0.00131 0.00279 0.00193 0.00608 0.00278 125 3PY 0.00061 0.00702 -0.01779 -0.00295 0.00014 126 3PZ -0.00138 -0.00232 0.01256 -0.00112 0.00714 127 4XX 0.00024 -0.00090 0.00132 0.00028 0.00047 128 4YY -0.00013 0.00042 -0.00088 -0.00056 0.00018 129 4ZZ -0.00012 0.00004 -0.00046 -0.00033 0.00021 130 4XY 0.00013 0.00005 0.00062 0.00013 0.00019 131 4XZ -0.00007 -0.00021 -0.00007 0.00026 -0.00106 132 4YZ 0.00020 -0.00080 0.00039 0.00029 -0.00109 133 15 C 1S -0.00022 0.00087 0.00002 -0.00019 0.00072 134 2S 0.00090 -0.00200 0.00026 0.00009 -0.00099 135 2PX 0.00081 -0.00221 -0.00952 0.00058 -0.01146 136 2PY 0.00000 0.00118 0.00132 0.00045 0.00056 137 2PZ -0.00028 0.00166 -0.01028 0.00058 -0.01195 138 3S -0.00077 -0.00601 0.00516 0.00424 -0.00737 139 3PX -0.00039 -0.00175 -0.00501 0.00098 -0.00791 140 3PY -0.00196 0.00013 0.00208 -0.00049 -0.00343 141 3PZ 0.00037 0.00155 -0.01054 -0.00087 -0.01019 142 4XX -0.00005 0.00016 0.00047 -0.00028 0.00085 143 4YY 0.00008 -0.00018 0.00025 0.00007 -0.00002 144 4ZZ 0.00001 0.00016 -0.00037 0.00001 -0.00015 145 4XY 0.00001 0.00003 -0.00005 -0.00006 -0.00010 146 4XZ 0.00006 -0.00011 0.00031 0.00005 0.00029 147 4YZ 0.00005 -0.00006 -0.00056 0.00019 -0.00072 148 16 C 1S -0.00025 0.00052 -0.00182 0.00013 -0.00096 149 2S 0.00070 -0.00164 0.00454 -0.00032 0.00135 150 2PX 0.00081 -0.00162 -0.00206 -0.00050 -0.00340 151 2PY -0.00019 -0.00009 0.00179 -0.00125 0.00290 152 2PZ 0.00022 0.00102 -0.01389 0.00098 -0.01363 153 3S 0.00235 -0.00036 0.00960 -0.00022 0.01315 154 3PX 0.00101 -0.00104 -0.00379 -0.00009 -0.00444 155 3PY -0.00113 -0.00120 0.00431 0.00097 -0.00213 156 3PZ 0.00030 -0.00025 -0.01109 -0.00002 -0.01198 157 4XX 0.00003 -0.00007 0.00049 -0.00018 0.00068 158 4YY 0.00009 -0.00008 0.00028 0.00001 0.00006 159 4ZZ -0.00002 0.00004 -0.00080 0.00013 -0.00097 160 4XY -0.00001 0.00002 0.00065 -0.00003 0.00071 161 4XZ -0.00004 0.00012 0.00058 -0.00011 0.00103 162 4YZ 0.00004 -0.00005 0.00012 -0.00010 0.00028 163 17 C 1S 0.00004 0.00026 0.00269 -0.00121 0.00343 164 2S 0.00053 -0.00175 -0.00613 0.00087 -0.00788 165 2PX 0.00015 -0.00039 -0.00113 0.00084 0.00176 166 2PY 0.00020 0.00138 0.00794 -0.00209 0.00975 167 2PZ 0.00065 -0.00071 0.02108 -0.00366 0.02453 168 3S -0.00349 -0.00006 -0.00855 0.01234 -0.02246 169 3PX -0.00179 0.00035 0.00460 0.00713 -0.00268 170 3PY 0.00058 0.00033 0.00696 -0.00052 0.01115 171 3PZ 0.00012 0.00175 0.01033 -0.00329 0.01953 172 4XX 0.00003 -0.00025 0.00324 -0.00021 0.00344 173 4YY 0.00005 -0.00009 -0.00076 -0.00022 -0.00129 174 4ZZ 0.00010 -0.00013 -0.00170 -0.00018 -0.00161 175 4XY 0.00006 -0.00002 -0.00108 -0.00005 -0.00124 176 4XZ -0.00006 0.00020 0.00106 -0.00002 0.00158 177 4YZ -0.00005 0.00017 -0.00370 0.00037 -0.00414 178 18 H 1S 0.00016 0.00034 0.00324 -0.00188 0.00629 179 2S 0.00039 0.00086 -0.00562 -0.00394 -0.00037 180 19 H 1S 0.00212 -0.00922 0.02167 0.00236 0.01494 181 2S 0.00231 -0.00892 0.01856 -0.00046 -0.00587 182 20 H 1S -0.00042 0.00085 0.00067 -0.00069 0.00119 183 2S -0.00134 0.00231 0.00091 -0.00085 0.00263 184 21 H 1S 0.00007 0.00008 -0.00307 0.00006 -0.00332 185 2S 0.00002 0.00041 -0.00818 0.00090 -0.00690 186 22 O 1S -0.00015 -0.00007 0.00008 0.00050 0.00015 187 2S 0.00032 0.00015 0.00053 -0.00098 -0.00003 188 2PX 0.00116 -0.00085 -0.01550 -0.00195 -0.02024 189 2PY -0.00010 -0.00069 -0.00393 0.00079 -0.00420 190 2PZ -0.00008 0.00039 -0.03223 0.00180 -0.03703 191 3S 0.00085 -0.00005 -0.00350 -0.00380 -0.00274 192 3PX 0.00117 -0.00083 -0.01302 -0.00284 -0.01570 193 3PY -0.00030 -0.00027 -0.00198 0.00171 -0.00298 194 3PZ 0.00001 0.00001 -0.02741 0.00203 -0.03252 195 4XX -0.00006 0.00003 0.00046 0.00016 0.00044 196 4YY 0.00002 0.00000 0.00028 -0.00005 0.00028 197 4ZZ -0.00002 -0.00003 -0.00017 0.00011 -0.00033 198 4XY -0.00011 0.00010 0.00077 0.00024 0.00076 199 4XZ -0.00001 0.00007 -0.00013 0.00009 -0.00005 200 4YZ -0.00002 0.00002 0.00080 0.00001 0.00096 201 23 O 1S 0.00025 -0.00009 0.00096 0.00059 -0.00014 202 2S -0.00036 -0.00045 -0.00029 -0.00085 -0.00063 203 2PX -0.00187 0.00492 -0.00924 -0.00537 0.00530 204 2PY 0.00039 0.00046 -0.00241 0.00010 -0.00460 205 2PZ -0.00267 0.00633 0.00320 -0.00470 0.01988 206 3S -0.00178 0.00483 -0.01348 -0.00582 0.00435 207 3PX -0.00156 0.00340 -0.00965 -0.00526 0.00245 208 3PY -0.00043 0.00165 -0.00430 -0.00155 -0.00115 209 3PZ -0.00179 0.00550 -0.00125 -0.00348 0.01286 210 4XX 0.00012 -0.00046 0.00085 0.00033 -0.00041 211 4YY -0.00004 -0.00012 0.00046 0.00008 -0.00040 212 4ZZ 0.00006 -0.00030 0.00084 0.00017 -0.00014 213 4XY -0.00018 0.00040 -0.00034 -0.00051 0.00073 214 4XZ -0.00001 -0.00001 -0.00005 0.00009 -0.00016 215 4YZ -0.00006 0.00015 0.00004 -0.00018 0.00069 21 22 23 24 25 21 3S 0.26432 22 3PX 0.01634 0.08668 23 3PY -0.00276 -0.00755 0.05455 24 3PZ -0.00397 0.05484 -0.01118 0.11049 25 4XX -0.00371 -0.00468 -0.00171 -0.00276 0.00095 26 4YY -0.00155 0.00134 0.00352 -0.00105 -0.00035 27 4ZZ -0.00579 0.00263 -0.00197 0.00273 0.00025 28 4XY -0.00471 -0.00015 0.00028 0.00461 0.00010 29 4XZ -0.00750 -0.00107 0.00322 -0.00012 -0.00008 30 4YZ 0.00806 0.00265 -0.00019 0.00079 0.00002 31 3 C 1S -0.00183 -0.00117 -0.01159 -0.00185 0.00281 32 2S 0.03542 -0.00667 0.04016 0.00501 -0.00636 33 2PX 0.00458 0.07477 0.00660 0.05778 -0.00053 34 2PY -0.11755 -0.02476 -0.09531 0.02657 0.00996 35 2PZ 0.06612 0.03432 0.00410 0.10938 -0.00098 36 3S -0.01445 0.01608 0.00991 0.03627 -0.00698 37 3PX 0.01608 0.03317 0.01626 0.03298 0.00024 38 3PY -0.00991 -0.01626 -0.02209 0.00699 0.00360 39 3PZ 0.03627 0.03298 -0.00699 0.07588 -0.00025 40 4XX -0.00698 0.00024 -0.00360 -0.00025 0.00029 41 4YY 0.01057 0.00034 0.00204 -0.00107 -0.00024 42 4ZZ -0.00447 -0.00033 -0.00209 -0.00002 0.00039 43 4XY -0.00465 -0.00492 -0.00033 -0.00341 0.00032 44 4XZ 0.00359 0.00062 0.00161 -0.00039 -0.00007 45 4YZ 0.00429 -0.00376 0.00169 -0.00641 0.00018 46 4 C 1S 0.00543 0.00288 0.00290 -0.00091 0.00029 47 2S -0.03023 0.00142 -0.01487 -0.00175 -0.00032 48 2PX 0.05690 -0.05259 0.00910 0.02061 0.00222 49 2PY 0.11051 -0.01439 0.03735 0.00538 0.00025 50 2PZ -0.00834 0.00605 0.01099 -0.02113 0.00216 51 3S -0.02762 0.00073 0.00414 -0.03717 -0.00086 52 3PX 0.03815 -0.03561 0.01171 -0.00684 0.00327 53 3PY 0.03542 0.01019 -0.00165 0.02569 -0.00008 54 3PZ 0.00418 -0.00835 0.01052 -0.01163 0.00124 55 4XX 0.00250 0.00306 -0.00066 0.00663 -0.00010 56 4YY 0.00368 -0.00113 0.00399 -0.00248 0.00008 57 4ZZ -0.00294 -0.00131 -0.00157 -0.00314 -0.00003 58 4XY -0.00464 0.00054 -0.00302 -0.00117 0.00033 59 4XZ 0.00054 0.00290 0.00038 0.00182 0.00007 60 4YZ 0.00576 -0.00202 0.00296 -0.00036 -0.00013 61 5 H 1S -0.06205 0.01870 0.00220 -0.01316 -0.00207 62 2S -0.05687 0.01982 0.00505 -0.01485 -0.00404 63 6 H 1S 0.12988 0.04110 -0.04419 -0.04701 -0.00006 64 2S 0.05903 0.02579 -0.02900 -0.03689 0.00166 65 7 H 1S -0.06040 0.00143 -0.02306 -0.00140 0.00153 66 2S -0.06446 0.00416 -0.03583 0.00459 0.00254 67 8 H 1S 0.05362 -0.00669 0.02769 -0.00887 -0.00010 68 2S 0.05628 -0.02228 0.03802 -0.02185 0.00044 69 9 C 1S 0.01703 -0.00336 0.00178 0.00862 -0.00079 70 2S -0.03537 0.00177 -0.00177 -0.02359 0.00154 71 2PX -0.05022 -0.00371 0.00923 -0.03111 0.00059 72 2PY -0.06258 0.00214 -0.04892 -0.01396 -0.00121 73 2PZ 0.06851 -0.02546 -0.00344 0.00485 -0.00382 74 3S -0.03875 0.01728 -0.02603 -0.00287 0.00251 75 3PX -0.01814 0.00141 0.00223 -0.00347 -0.00024 76 3PY -0.03174 -0.00266 -0.02454 -0.00470 -0.00004 77 3PZ 0.02661 -0.03344 0.00836 -0.02682 -0.00164 78 4XX 0.00549 0.00018 -0.00094 0.00432 -0.00027 79 4YY -0.00310 0.00163 0.00111 -0.00154 0.00002 80 4ZZ -0.00030 -0.00333 -0.00046 -0.00239 0.00019 81 4XY -0.00052 -0.00243 0.00049 -0.00288 0.00020 82 4XZ -0.00216 -0.00027 0.00085 -0.00430 0.00005 83 4YZ 0.00435 -0.00280 0.00253 -0.00072 0.00035 84 10 H 1S 0.03828 -0.00170 -0.01025 0.02380 -0.00093 85 2S 0.04612 0.00372 -0.00928 0.04475 -0.00185 86 11 H 1S 0.00174 -0.01675 0.00108 -0.02315 -0.00060 87 2S 0.00803 -0.00721 0.00083 -0.00888 -0.00017 88 12 C 1S 0.00403 -0.00828 0.00290 -0.00469 -0.00008 89 2S 0.00223 0.01167 -0.00108 0.01116 -0.00003 90 2PX -0.01990 0.06369 -0.01666 0.05173 -0.00023 91 2PY 0.01251 -0.00182 0.00366 0.01246 0.00097 92 2PZ -0.00973 0.04066 -0.00389 0.03488 -0.00056 93 3S -0.00270 0.02513 -0.00926 0.03002 -0.00038 94 3PX -0.01079 0.04502 -0.00868 0.03638 -0.00066 95 3PY 0.01093 0.00701 0.00146 0.01623 0.00048 96 3PZ -0.01192 0.03911 -0.00946 0.03657 -0.00080 97 4XX -0.00025 -0.00215 0.00016 -0.00208 -0.00001 98 4YY 0.00027 0.00043 0.00010 0.00027 -0.00001 99 4ZZ -0.00043 0.00152 -0.00042 0.00128 -0.00002 100 4XY -0.00097 0.00071 -0.00106 -0.00008 -0.00021 101 4XZ -0.00183 0.00059 -0.00056 -0.00065 -0.00006 102 4YZ -0.00097 -0.00009 0.00011 -0.00076 -0.00023 103 13 C 1S -0.00475 -0.00385 -0.00047 -0.00685 -0.00048 104 2S -0.00232 0.01480 -0.00202 0.01175 0.00017 105 2PX 0.01647 0.00361 0.01714 0.01415 0.00460 106 2PY -0.00697 -0.00363 -0.00203 -0.01546 -0.00072 107 2PZ 0.01960 0.00093 -0.00012 0.00809 0.00457 108 3S 0.01242 0.02823 -0.00093 0.03700 0.00094 109 3PX 0.01149 -0.00081 0.00869 0.00929 0.00319 110 3PY -0.00141 -0.00871 0.00253 -0.01568 -0.00001 111 3PZ 0.01862 0.00229 0.00490 0.00777 0.00360 112 4XX 0.00029 -0.00316 -0.00006 -0.00326 0.00012 113 4YY -0.00011 0.00099 -0.00021 0.00075 -0.00011 114 4ZZ 0.00062 0.00019 0.00084 0.00071 0.00006 115 4XY -0.00085 0.00313 -0.00100 0.00256 -0.00008 116 4XZ -0.00029 -0.00226 0.00057 -0.00257 0.00023 117 4YZ -0.00081 0.00262 -0.00002 0.00245 -0.00011 118 14 C 1S 0.00719 -0.00426 0.00289 0.00133 0.00022 119 2S -0.00454 0.00545 -0.00595 0.00292 -0.00049 120 2PX 0.01583 0.00627 -0.00914 0.01849 -0.00018 121 2PY -0.00637 0.00302 -0.00436 0.00062 -0.00055 122 2PZ 0.02229 -0.00736 0.00508 0.00973 0.00092 123 3S -0.00849 -0.00349 -0.00318 -0.01049 -0.00048 124 3PX 0.00636 0.00124 -0.00040 0.00531 -0.00024 125 3PY -0.00087 -0.00621 -0.00441 -0.00506 -0.00033 126 3PZ 0.01482 0.00165 0.00012 0.01196 0.00002 127 4XX 0.00038 0.00072 0.00041 0.00107 0.00023 128 4YY -0.00004 -0.00026 -0.00039 -0.00024 -0.00007 129 4ZZ -0.00059 -0.00031 -0.00006 -0.00033 -0.00010 130 4XY 0.00051 0.00038 -0.00027 0.00014 0.00013 131 4XZ 0.00043 -0.00034 0.00039 -0.00041 0.00012 132 4YZ -0.00025 -0.00013 0.00134 -0.00053 0.00024 133 15 C 1S 0.00136 0.00006 -0.00128 0.00070 0.00000 134 2S -0.00394 0.00051 0.00240 -0.00125 0.00005 135 2PX -0.00213 -0.01063 0.00445 -0.00981 -0.00002 136 2PY -0.00104 0.00269 -0.00201 0.00050 0.00005 137 2PZ 0.00647 -0.01198 -0.00018 -0.00857 -0.00016 138 3S -0.00406 0.00040 0.01023 -0.00331 0.00038 139 3PX -0.00039 -0.00667 0.00394 -0.00608 0.00002 140 3PY -0.00021 0.00070 0.00011 -0.00140 -0.00001 141 3PZ 0.00247 -0.00963 -0.00042 -0.00833 -0.00010 142 4XX 0.00068 0.00027 -0.00026 0.00083 0.00000 143 4YY 0.00001 0.00010 0.00005 0.00006 0.00001 144 4ZZ -0.00065 -0.00001 -0.00014 -0.00044 -0.00004 145 4XY -0.00022 -0.00001 -0.00012 -0.00020 -0.00001 146 4XZ 0.00053 0.00003 0.00010 0.00039 0.00003 147 4YZ -0.00052 -0.00047 0.00026 -0.00087 0.00000 148 16 C 1S 0.00186 -0.00202 0.00071 -0.00106 0.00001 149 2S -0.00303 0.00387 -0.00115 0.00188 0.00011 150 2PX -0.00313 -0.00306 -0.00033 -0.00408 -0.00023 151 2PY 0.00004 0.00116 -0.00162 0.00224 -0.00013 152 2PZ -0.00422 -0.01240 0.00184 -0.01548 -0.00034 153 3S -0.00490 0.01094 -0.00656 0.00979 0.00002 154 3PX -0.00389 -0.00329 -0.00066 -0.00472 -0.00005 155 3PY -0.00176 0.00235 0.00114 -0.00027 -0.00001 156 3PZ -0.00420 -0.00961 0.00144 -0.01238 -0.00015 157 4XX 0.00024 0.00020 -0.00001 0.00047 0.00000 158 4YY -0.00038 0.00032 -0.00003 -0.00002 0.00000 159 4ZZ 0.00034 -0.00079 0.00026 -0.00057 0.00001 160 4XY -0.00003 0.00069 -0.00026 0.00057 0.00000 161 4XZ -0.00005 0.00065 -0.00024 0.00062 -0.00002 162 4YZ -0.00027 0.00023 0.00001 0.00009 0.00001 163 17 C 1S -0.00402 0.00412 -0.00245 0.00121 -0.00008 164 2S 0.00575 -0.00882 0.00464 -0.00342 0.00039 165 2PX 0.00490 -0.00493 0.00493 -0.00106 0.00011 166 2PY -0.01296 0.01369 -0.00706 0.00290 -0.00036 167 2PZ -0.01207 0.02211 -0.00885 0.01180 -0.00072 168 3S 0.00875 -0.01254 0.01050 -0.01213 0.00006 169 3PX 0.00024 0.00146 0.00356 -0.00195 -0.00015 170 3PY -0.00220 0.00761 -0.00230 0.00698 0.00008 171 3PZ -0.00240 0.01070 -0.00448 0.00911 -0.00048 172 4XX 0.00011 0.00267 -0.00026 0.00289 -0.00001 173 4YY -0.00066 -0.00046 -0.00020 -0.00120 0.00001 174 4ZZ 0.00035 -0.00169 0.00018 -0.00114 0.00004 175 4XY -0.00017 -0.00072 -0.00020 -0.00087 0.00004 176 4XZ -0.00054 0.00134 -0.00035 0.00093 -0.00006 177 4YZ 0.00091 -0.00331 0.00076 -0.00323 0.00006 178 18 H 1S 0.00471 0.00227 -0.00306 0.00661 0.00074 179 2S -0.00011 -0.00139 -0.00489 0.00044 0.00083 180 19 H 1S -0.00229 0.01022 0.00446 0.01230 -0.00079 181 2S -0.00158 0.00361 0.00610 0.00099 -0.00053 182 20 H 1S 0.00143 0.00074 -0.00125 0.00130 -0.00010 183 2S 0.00218 0.00146 -0.00314 0.00231 -0.00025 184 21 H 1S -0.00093 -0.00268 0.00070 -0.00307 0.00003 185 2S 0.00148 -0.00745 0.00262 -0.00580 0.00008 186 22 O 1S 0.00272 -0.00102 0.00164 0.00114 0.00000 187 2S -0.00647 0.00309 -0.00369 -0.00254 0.00000 188 2PX -0.00309 -0.01281 -0.00145 -0.01638 0.00056 189 2PY 0.00746 -0.00731 0.00256 -0.00180 0.00030 190 2PZ 0.00564 -0.02765 0.00470 -0.03117 0.00093 191 3S -0.00575 -0.00105 -0.00452 -0.00492 -0.00015 192 3PX -0.00269 -0.01024 -0.00183 -0.01248 0.00041 193 3PY 0.00440 -0.00378 0.00194 -0.00138 0.00024 194 3PZ 0.00519 -0.02392 0.00468 -0.02568 0.00080 195 4XX 0.00016 0.00037 0.00010 0.00035 0.00000 196 4YY -0.00040 0.00042 -0.00011 0.00025 0.00000 197 4ZZ 0.00009 -0.00021 0.00012 -0.00024 0.00002 198 4XY 0.00011 0.00070 0.00002 0.00072 -0.00003 199 4XZ -0.00006 -0.00001 0.00000 -0.00016 -0.00001 200 4YZ 0.00019 0.00055 0.00006 0.00105 -0.00001 201 23 O 1S -0.00406 0.00162 -0.00053 -0.00124 0.00007 202 2S 0.00739 -0.00229 0.00115 0.00256 -0.00009 203 2PX 0.00043 -0.00259 -0.00309 0.00503 -0.00189 204 2PY -0.00451 -0.00003 0.00118 -0.00686 0.00050 205 2PZ 0.01640 0.00207 -0.01472 0.01746 -0.00232 206 3S 0.01264 -0.00795 -0.00195 0.00329 -0.00029 207 3PX -0.00118 -0.00345 -0.00211 0.00139 -0.00132 208 3PY -0.00132 -0.00116 -0.00003 -0.00383 0.00031 209 3PZ 0.00836 0.00089 -0.01119 0.00978 -0.00178 210 4XX -0.00027 0.00029 0.00019 0.00006 0.00002 211 4YY -0.00055 0.00032 0.00016 -0.00044 0.00004 212 4ZZ -0.00018 0.00030 0.00005 0.00011 -0.00002 213 4XY 0.00055 -0.00003 -0.00044 0.00075 -0.00008 214 4XZ 0.00015 -0.00010 -0.00002 0.00000 -0.00001 215 4YZ 0.00133 -0.00023 -0.00048 0.00091 -0.00007 26 27 28 29 30 26 4YY 0.00112 27 4ZZ -0.00011 0.00080 28 4XY -0.00011 -0.00007 0.00112 29 4XZ 0.00045 -0.00015 0.00029 0.00077 30 4YZ -0.00001 -0.00003 -0.00050 -0.00029 0.00107 31 3 C 1S -0.00697 0.00264 -0.00023 -0.00085 0.00014 32 2S 0.01254 -0.00615 -0.00003 0.00218 -0.00014 33 2PX -0.00248 0.00111 0.01308 0.00024 -0.00005 34 2PY -0.00645 0.00860 0.00141 -0.00341 0.00030 35 2PZ 0.00115 -0.00050 0.00028 -0.00030 0.01363 36 3S 0.01057 -0.00447 0.00465 0.00359 -0.00429 37 3PX 0.00034 -0.00033 0.00492 0.00062 0.00376 38 3PY -0.00204 0.00209 -0.00033 -0.00161 0.00169 39 3PZ -0.00107 -0.00002 0.00341 -0.00039 0.00641 40 4XX -0.00024 0.00039 -0.00032 -0.00007 -0.00018 41 4YY -0.00017 -0.00033 0.00016 -0.00021 -0.00011 42 4ZZ -0.00033 0.00032 0.00018 -0.00008 0.00023 43 4XY -0.00016 -0.00018 0.00044 0.00000 -0.00057 44 4XZ -0.00021 -0.00008 0.00000 0.00013 -0.00008 45 4YZ 0.00011 -0.00023 -0.00057 0.00008 0.00041 46 4 C 1S -0.00146 -0.00027 0.00212 0.00020 -0.00113 47 2S 0.00318 0.00094 -0.00454 -0.00064 0.00238 48 2PX 0.00361 -0.00230 -0.00154 -0.00035 0.01048 49 2PY -0.00440 -0.00072 0.00488 0.00074 -0.00275 50 2PZ -0.00305 -0.00105 0.00886 0.00032 0.00218 51 3S 0.00462 0.00077 -0.00771 0.00031 0.00203 52 3PX 0.00050 -0.00186 0.00016 -0.00013 0.00694 53 3PY -0.00262 0.00089 0.00284 -0.00053 -0.00063 54 3PZ -0.00033 -0.00169 0.00481 0.00076 0.00190 55 4XX 0.00017 -0.00009 0.00036 0.00011 0.00037 56 4YY -0.00041 0.00003 0.00004 -0.00023 -0.00012 57 4ZZ 0.00007 -0.00005 0.00000 0.00018 -0.00047 58 4XY -0.00031 0.00021 0.00008 -0.00010 -0.00016 59 4XZ -0.00034 0.00013 0.00020 0.00001 0.00007 60 4YZ 0.00016 -0.00031 -0.00013 0.00012 -0.00009 61 5 H 1S 0.00615 -0.00030 0.00403 0.00205 -0.00433 62 2S 0.00678 -0.00054 0.00129 0.00317 -0.00398 63 6 H 1S -0.00144 0.00090 -0.00998 -0.00774 0.00984 64 2S -0.00090 0.00251 -0.00889 -0.00510 0.00904 65 7 H 1S 0.00058 0.00144 0.00576 -0.00056 -0.00543 66 2S -0.00296 0.00274 0.00542 -0.00159 -0.00531 67 8 H 1S -0.00202 -0.00038 0.00189 0.00009 -0.00132 68 2S -0.00194 -0.00140 0.00171 0.00018 -0.00109 69 9 C 1S 0.00082 -0.00141 0.00099 0.00105 -0.00047 70 2S -0.00154 0.00296 -0.00232 -0.00246 0.00091 71 2PX -0.00197 0.00426 -0.00209 -0.00236 0.00075 72 2PY 0.00315 -0.00379 0.00474 0.00427 -0.00217 73 2PZ 0.00262 -0.00389 0.00337 0.00586 -0.00329 74 3S -0.00350 0.00507 -0.00227 -0.00353 0.00296 75 3PX -0.00101 0.00231 -0.00052 -0.00113 0.00075 76 3PY 0.00062 -0.00191 0.00381 0.00168 -0.00221 77 3PZ 0.00194 -0.00282 0.00028 0.00281 -0.00317 78 4XX 0.00012 -0.00022 0.00024 0.00018 0.00003 79 4YY 0.00006 0.00019 0.00008 -0.00011 -0.00008 80 4ZZ -0.00011 -0.00013 -0.00018 0.00001 -0.00011 81 4XY 0.00027 -0.00029 0.00000 0.00023 0.00042 82 4XZ 0.00003 0.00005 -0.00001 0.00028 -0.00018 83 4YZ -0.00037 -0.00002 0.00016 -0.00024 0.00010 84 10 H 1S 0.00095 -0.00214 0.00132 0.00125 -0.00026 85 2S 0.00093 -0.00190 0.00220 0.00103 0.00046 86 11 H 1S -0.00008 0.00024 -0.00013 0.00159 -0.00129 87 2S 0.00005 -0.00083 0.00078 0.00235 -0.00096 88 12 C 1S -0.00008 -0.00022 -0.00031 -0.00026 -0.00020 89 2S 0.00007 0.00024 0.00080 0.00049 0.00046 90 2PX -0.00072 0.00043 0.00067 0.00187 -0.00069 91 2PY -0.00053 -0.00044 0.00068 -0.00021 0.00115 92 2PZ -0.00006 -0.00012 0.00004 0.00133 -0.00076 93 3S 0.00034 -0.00003 0.00255 0.00121 0.00131 94 3PX -0.00006 0.00059 -0.00019 0.00130 -0.00026 95 3PY -0.00066 0.00000 0.00071 -0.00017 0.00086 96 3PZ -0.00041 0.00038 0.00079 0.00105 -0.00102 97 4XX 0.00005 -0.00001 -0.00022 -0.00007 -0.00015 98 4YY -0.00002 0.00000 0.00006 0.00003 0.00003 99 4ZZ -0.00004 0.00005 0.00005 -0.00003 0.00000 100 4XY 0.00005 0.00017 -0.00014 -0.00010 -0.00024 101 4XZ 0.00002 0.00006 -0.00017 -0.00003 -0.00017 102 4YZ 0.00004 0.00015 -0.00015 -0.00004 -0.00022 103 13 C 1S 0.00006 -0.00002 -0.00032 -0.00047 -0.00050 104 2S -0.00027 -0.00003 0.00069 0.00112 0.00061 105 2PX -0.00185 -0.00330 0.00322 0.00314 0.00407 106 2PY 0.00052 0.00034 -0.00038 -0.00019 -0.00096 107 2PZ -0.00067 -0.00339 0.00259 0.00085 0.00285 108 3S -0.00131 0.00041 0.00141 0.00068 0.00173 109 3PX -0.00141 -0.00265 0.00298 0.00231 0.00244 110 3PY -0.00013 0.00023 -0.00091 -0.00052 -0.00075 111 3PZ -0.00068 -0.00232 0.00178 0.00091 0.00340 112 4XX -0.00002 -0.00012 -0.00009 -0.00009 -0.00009 113 4YY 0.00007 0.00005 0.00001 0.00003 -0.00002 114 4ZZ -0.00001 0.00000 0.00002 0.00002 0.00016 115 4XY -0.00001 0.00009 -0.00004 -0.00001 -0.00006 116 4XZ -0.00004 -0.00012 0.00001 -0.00004 0.00002 117 4YZ -0.00006 0.00007 -0.00002 0.00008 -0.00002 118 14 C 1S -0.00025 -0.00030 0.00015 -0.00002 0.00011 119 2S 0.00014 0.00056 -0.00032 -0.00041 -0.00036 120 2PX 0.00016 0.00039 -0.00004 -0.00068 0.00001 121 2PY 0.00007 0.00027 -0.00028 -0.00034 -0.00046 122 2PZ -0.00060 -0.00065 0.00088 0.00060 0.00139 123 3S 0.00062 -0.00021 -0.00024 0.00008 -0.00095 124 3PX 0.00009 -0.00006 0.00006 0.00009 -0.00008 125 3PY -0.00004 -0.00013 0.00003 -0.00006 -0.00078 126 3PZ -0.00001 0.00004 0.00036 0.00002 0.00091 127 4XX -0.00006 -0.00018 0.00019 0.00013 0.00019 128 4YY 0.00001 0.00006 -0.00004 -0.00005 -0.00010 129 4ZZ -0.00001 0.00011 -0.00009 -0.00005 -0.00009 130 4XY -0.00001 -0.00011 0.00007 0.00001 0.00007 131 4XZ 0.00002 -0.00010 0.00006 0.00002 0.00008 132 4YZ -0.00006 -0.00016 0.00016 0.00013 0.00026 133 15 C 1S 0.00010 0.00001 -0.00006 -0.00010 -0.00010 134 2S -0.00016 0.00004 0.00013 0.00026 0.00016 135 2PX -0.00022 0.00040 -0.00026 0.00005 0.00010 136 2PY 0.00019 0.00015 -0.00003 -0.00014 -0.00018 137 2PZ 0.00019 0.00059 -0.00075 -0.00077 -0.00051 138 3S -0.00028 -0.00003 0.00007 0.00045 0.00098 139 3PX -0.00019 0.00035 -0.00035 -0.00014 0.00000 140 3PY 0.00023 0.00022 -0.00024 -0.00033 0.00016 141 3PZ 0.00007 0.00040 -0.00056 -0.00048 -0.00045 142 4XX -0.00001 0.00000 0.00002 -0.00001 0.00003 143 4YY -0.00001 0.00000 0.00001 0.00001 0.00001 144 4ZZ 0.00002 0.00002 -0.00003 -0.00002 -0.00006 145 4XY 0.00001 0.00003 -0.00003 -0.00003 -0.00004 146 4XZ -0.00001 -0.00003 0.00004 0.00003 0.00004 147 4YZ 0.00001 0.00001 -0.00001 0.00001 0.00000 148 16 C 1S 0.00003 -0.00009 0.00002 -0.00003 0.00003 149 2S -0.00009 0.00020 -0.00010 0.00005 0.00000 150 2PX -0.00010 0.00065 -0.00063 -0.00025 -0.00049 151 2PY -0.00013 0.00003 -0.00012 -0.00003 -0.00006 152 2PZ 0.00028 0.00063 -0.00050 -0.00046 -0.00046 153 3S -0.00024 0.00004 0.00010 0.00042 -0.00047 154 3PX 0.00001 0.00028 -0.00032 -0.00010 -0.00031 155 3PY 0.00003 0.00012 -0.00027 0.00001 0.00026 156 3PZ 0.00019 0.00044 -0.00048 -0.00034 -0.00040 157 4XX 0.00000 0.00000 0.00002 0.00001 0.00003 158 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 159 4ZZ 0.00000 -0.00002 -0.00002 -0.00002 0.00001 160 4XY 0.00000 -0.00001 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00000 0.00002 0.00002 -0.00001 162 4YZ 0.00000 -0.00002 0.00003 0.00002 0.00003 163 17 C 1S -0.00002 0.00005 -0.00002 0.00004 -0.00017 164 2S 0.00002 -0.00022 0.00004 -0.00008 0.00061 165 2PX 0.00017 -0.00005 0.00048 0.00006 0.00076 166 2PY 0.00005 0.00041 -0.00003 0.00023 -0.00046 167 2PZ -0.00014 0.00072 0.00004 0.00026 -0.00046 168 3S 0.00026 -0.00028 -0.00078 -0.00006 -0.00003 169 3PX 0.00022 0.00000 -0.00016 0.00020 0.00029 170 3PY -0.00031 -0.00005 0.00069 0.00018 0.00003 171 3PZ -0.00010 0.00038 0.00063 -0.00004 -0.00003 172 4XX -0.00004 0.00000 0.00006 0.00007 0.00000 173 4YY 0.00002 0.00002 -0.00005 -0.00002 0.00001 174 4ZZ -0.00001 0.00000 -0.00002 -0.00005 0.00003 175 4XY -0.00002 0.00001 -0.00005 -0.00003 0.00000 176 4XZ 0.00000 0.00001 0.00000 0.00003 -0.00009 177 4YZ 0.00003 -0.00006 0.00000 -0.00007 0.00010 178 18 H 1S -0.00036 -0.00004 0.00096 -0.00003 0.00088 179 2S -0.00052 -0.00005 0.00074 -0.00021 0.00007 180 19 H 1S -0.00044 0.00073 -0.00010 0.00089 0.00038 181 2S -0.00019 0.00068 -0.00090 0.00043 0.00059 182 20 H 1S 0.00005 0.00006 -0.00017 -0.00021 -0.00019 183 2S 0.00014 0.00017 -0.00035 -0.00043 -0.00043 184 21 H 1S 0.00004 -0.00004 0.00005 -0.00001 0.00011 185 2S 0.00005 -0.00023 0.00015 0.00000 0.00021 186 22 O 1S -0.00003 -0.00006 0.00003 -0.00001 0.00002 187 2S 0.00004 0.00015 -0.00002 0.00006 -0.00007 188 2PX 0.00014 0.00021 -0.00078 -0.00033 0.00037 189 2PY -0.00014 -0.00026 0.00017 -0.00015 0.00038 190 2PZ 0.00014 -0.00070 0.00033 -0.00057 0.00145 191 3S 0.00027 0.00024 -0.00038 -0.00008 -0.00005 192 3PX 0.00010 0.00016 -0.00064 -0.00030 0.00017 193 3PY -0.00015 -0.00018 0.00017 -0.00006 0.00022 194 3PZ 0.00013 -0.00061 0.00009 -0.00045 0.00106 195 4XX -0.00002 0.00000 0.00002 0.00001 -0.00001 196 4YY 0.00000 0.00000 0.00001 0.00001 -0.00001 197 4ZZ -0.00002 -0.00001 0.00002 0.00000 0.00001 198 4XY -0.00001 -0.00001 0.00002 0.00001 -0.00004 199 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 200 4YZ -0.00001 0.00000 0.00000 0.00002 -0.00004 201 23 O 1S 0.00005 0.00005 0.00000 0.00008 0.00004 202 2S -0.00002 0.00002 -0.00001 -0.00019 -0.00005 203 2PX 0.00010 0.00176 -0.00112 -0.00069 -0.00130 204 2PY 0.00011 -0.00014 0.00010 0.00021 0.00026 205 2PZ 0.00026 0.00166 -0.00142 -0.00126 -0.00232 206 3S -0.00032 -0.00008 0.00016 -0.00036 -0.00049 207 3PX 0.00002 0.00126 -0.00082 -0.00053 -0.00102 208 3PY -0.00006 -0.00011 0.00010 0.00007 0.00013 209 3PZ 0.00023 0.00125 -0.00116 -0.00097 -0.00198 210 4XX 0.00002 -0.00001 0.00001 0.00002 0.00003 211 4YY 0.00001 0.00001 -0.00002 0.00001 0.00004 212 4ZZ 0.00001 0.00003 -0.00003 -0.00001 0.00000 213 4XY 0.00000 0.00009 -0.00005 -0.00006 -0.00006 214 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00001 215 4YZ -0.00001 0.00005 -0.00004 -0.00004 -0.00006 31 32 33 34 35 31 3 C 1S 2.05350 32 2S -0.06403 0.33137 33 2PX -0.00214 -0.00416 0.37396 34 2PY -0.00016 -0.00369 0.00817 0.41906 35 2PZ -0.00062 0.00592 -0.04446 -0.00045 0.37852 36 3S -0.16656 0.25600 0.04393 0.01077 -0.02271 37 3PX -0.00541 0.02252 0.15182 0.00258 0.05816 38 3PY -0.00323 0.01831 -0.00384 0.13604 0.02126 39 3PZ 0.00294 -0.01327 0.05147 0.01065 0.18504 40 4XX -0.01548 -0.00686 -0.00773 0.00925 -0.00378 41 4YY -0.01744 -0.00235 0.00622 -0.01282 -0.00470 42 4ZZ -0.01464 -0.00826 0.00499 0.00785 0.00346 43 4XY -0.00183 0.00345 0.00612 0.00265 -0.01195 44 4XZ 0.00454 -0.00957 -0.00063 -0.01006 -0.00095 45 4YZ 0.00208 -0.00382 -0.01126 -0.00419 0.00439 46 4 C 1S 0.01661 -0.03337 0.06376 -0.02727 -0.03648 47 2S -0.03093 0.05743 -0.12764 0.06242 0.07600 48 2PX -0.06078 0.12959 -0.08145 0.11176 0.25156 49 2PY 0.02178 -0.03983 0.07813 -0.01340 -0.03700 50 2PZ 0.04384 -0.09115 0.23182 -0.07213 0.00976 51 3S -0.00856 0.03679 -0.16445 0.01462 0.03328 52 3PX -0.01218 0.03680 0.00115 0.04881 0.13173 53 3PY 0.00926 -0.02391 0.04968 0.02217 0.00429 54 3PZ 0.00654 -0.01741 0.10591 -0.02986 0.03363 55 4XX -0.00330 0.00590 0.00717 0.00463 0.01059 56 4YY 0.00285 -0.00619 0.00444 -0.00939 -0.00538 57 4ZZ -0.00003 -0.00054 -0.00132 0.00022 -0.01107 58 4XY 0.00282 -0.00566 0.00467 0.00687 -0.00707 59 4XZ 0.00455 -0.00869 0.00687 -0.00404 0.00017 60 4YZ -0.00200 0.00420 -0.00690 -0.00524 0.00128 61 5 H 1S -0.00894 0.02001 -0.01118 -0.03151 -0.00509 62 2S -0.01189 0.02558 -0.03472 -0.05913 -0.02090 63 6 H 1S 0.01288 -0.02651 -0.01715 0.04449 0.01074 64 2S 0.01472 -0.02540 -0.03286 0.08019 0.03468 65 7 H 1S -0.06256 0.11660 0.15490 0.15405 -0.15067 66 2S -0.01360 0.02417 0.13610 0.13143 -0.13517 67 8 H 1S 0.01219 -0.02477 0.02916 -0.03156 -0.01805 68 2S 0.01116 -0.01992 0.03480 -0.05770 -0.02617 69 9 C 1S -0.00478 0.00984 -0.00634 -0.00742 0.01093 70 2S 0.01044 -0.02368 0.01066 0.01219 -0.03541 71 2PX 0.01014 -0.02595 0.00051 0.00410 -0.03392 72 2PY 0.00122 -0.00984 0.03563 -0.02201 -0.00423 73 2PZ -0.01389 0.03186 -0.03726 -0.01763 0.00608 74 3S 0.02050 -0.04110 0.04923 0.08734 -0.01933 75 3PX 0.00620 -0.01160 0.00654 0.00655 0.00112 76 3PY 0.00288 -0.01050 0.03783 -0.01118 -0.01734 77 3PZ -0.01041 0.02207 -0.05816 -0.03821 -0.03226 78 4XX -0.00145 0.00325 -0.00042 -0.00008 0.00680 79 4YY 0.00095 -0.00197 0.00359 -0.00075 -0.00255 80 4ZZ -0.00023 0.00060 -0.00690 0.00106 -0.00257 81 4XY -0.00115 0.00249 -0.00036 0.00076 0.00700 82 4XZ 0.00133 -0.00299 0.00194 -0.00077 -0.00832 83 4YZ 0.00069 -0.00116 0.00407 0.00063 0.00039 84 10 H 1S -0.00834 0.01995 -0.00743 0.00452 0.03274 85 2S -0.01086 0.02642 -0.00307 0.00239 0.07087 86 11 H 1S 0.00105 -0.00345 -0.02090 -0.00265 -0.03262 87 2S 0.00012 -0.00154 -0.00979 -0.00281 -0.01650 88 12 C 1S -0.00144 0.00344 -0.00841 0.00051 -0.00666 89 2S 0.00204 -0.00522 0.01939 -0.00238 0.01539 90 2PX 0.00497 -0.02040 0.01890 -0.00523 -0.00176 91 2PY 0.00109 -0.00484 0.01022 -0.00224 0.00986 92 2PZ -0.00045 0.00009 -0.00010 0.00198 -0.00745 93 3S 0.00163 -0.01160 0.04472 0.00485 0.04558 94 3PX 0.00867 -0.00980 0.00131 -0.00309 0.00315 95 3PY -0.00117 -0.00306 0.01358 0.00279 0.01752 96 3PZ -0.00058 -0.00749 0.01575 0.00400 -0.00987 97 4XX -0.00091 0.00150 -0.00554 0.00034 -0.00389 98 4YY -0.00016 0.00012 0.00147 -0.00009 0.00121 99 4ZZ 0.00017 -0.00108 0.00185 -0.00068 -0.00023 100 4XY 0.00022 -0.00042 -0.00297 -0.00030 -0.00375 101 4XZ 0.00032 -0.00035 -0.00325 0.00003 -0.00363 102 4YZ -0.00031 0.00050 -0.00325 -0.00017 -0.00374 103 13 C 1S -0.00065 0.00087 -0.00838 -0.00159 -0.00802 104 2S 0.00016 -0.00050 0.01597 0.00077 0.01638 105 2PX 0.00211 -0.00557 0.06593 0.00743 0.06825 106 2PY 0.00050 0.00086 -0.00322 0.00036 -0.00707 107 2PZ 0.00103 -0.00422 0.04620 0.00371 0.04570 108 3S 0.00336 -0.00405 0.03427 0.01498 0.04233 109 3PX -0.00044 -0.00586 0.05450 0.00408 0.04383 110 3PY -0.00045 -0.00025 -0.01170 -0.00192 -0.01988 111 3PZ 0.00299 -0.00258 0.04042 0.00937 0.05284 112 4XX -0.00022 0.00033 -0.00326 -0.00019 -0.00309 113 4YY -0.00016 0.00019 0.00046 -0.00032 0.00073 114 4ZZ -0.00023 0.00020 0.00164 0.00009 0.00199 115 4XY 0.00007 -0.00075 0.00012 -0.00047 -0.00089 116 4XZ 0.00017 -0.00020 -0.00011 0.00043 -0.00065 117 4YZ 0.00003 -0.00020 0.00041 0.00021 0.00002 118 14 C 1S 0.00004 0.00026 0.00269 0.00121 0.00343 119 2S 0.00053 -0.00175 -0.00613 -0.00087 -0.00788 120 2PX 0.00015 -0.00039 -0.00113 -0.00084 0.00176 121 2PY -0.00020 -0.00138 -0.00794 -0.00209 -0.00975 122 2PZ 0.00065 -0.00071 0.02108 0.00366 0.02453 123 3S -0.00349 -0.00006 -0.00855 -0.01234 -0.02246 124 3PX -0.00179 0.00035 0.00460 -0.00713 -0.00268 125 3PY -0.00058 -0.00033 -0.00696 -0.00052 -0.01115 126 3PZ 0.00012 0.00175 0.01033 0.00329 0.01953 127 4XX 0.00003 -0.00025 0.00324 0.00021 0.00344 128 4YY 0.00005 -0.00009 -0.00076 0.00022 -0.00129 129 4ZZ 0.00010 -0.00013 -0.00170 0.00018 -0.00161 130 4XY -0.00006 0.00002 0.00108 -0.00005 0.00124 131 4XZ -0.00006 0.00020 0.00106 0.00002 0.00158 132 4YZ 0.00005 -0.00017 0.00370 0.00037 0.00414 133 15 C 1S -0.00025 0.00052 -0.00182 -0.00013 -0.00096 134 2S 0.00070 -0.00164 0.00454 0.00032 0.00135 135 2PX 0.00081 -0.00162 -0.00206 0.00050 -0.00340 136 2PY 0.00019 0.00009 -0.00179 -0.00125 -0.00290 137 2PZ 0.00022 0.00102 -0.01389 -0.00098 -0.01363 138 3S 0.00235 -0.00036 0.00960 0.00022 0.01315 139 3PX 0.00101 -0.00104 -0.00379 0.00009 -0.00444 140 3PY 0.00113 0.00120 -0.00431 0.00097 0.00213 141 3PZ 0.00030 -0.00025 -0.01109 0.00002 -0.01198 142 4XX 0.00003 -0.00007 0.00049 0.00018 0.00068 143 4YY 0.00009 -0.00008 0.00028 -0.00001 0.00006 144 4ZZ -0.00002 0.00004 -0.00080 -0.00013 -0.00097 145 4XY 0.00001 -0.00002 -0.00065 -0.00003 -0.00071 146 4XZ -0.00004 0.00012 0.00058 0.00011 0.00103 147 4YZ -0.00004 0.00005 -0.00012 -0.00010 -0.00028 148 16 C 1S -0.00022 0.00087 0.00002 0.00019 0.00072 149 2S 0.00090 -0.00200 0.00026 -0.00009 -0.00099 150 2PX 0.00081 -0.00221 -0.00952 -0.00058 -0.01146 151 2PY 0.00000 -0.00118 -0.00132 0.00045 -0.00056 152 2PZ -0.00028 0.00166 -0.01028 -0.00058 -0.01195 153 3S -0.00077 -0.00601 0.00516 -0.00424 -0.00737 154 3PX -0.00039 -0.00175 -0.00501 -0.00098 -0.00791 155 3PY 0.00196 -0.00013 -0.00208 -0.00049 0.00343 156 3PZ 0.00037 0.00155 -0.01054 0.00087 -0.01019 157 4XX -0.00005 0.00016 0.00047 0.00028 0.00085 158 4YY 0.00008 -0.00018 0.00025 -0.00007 -0.00002 159 4ZZ 0.00001 0.00016 -0.00037 -0.00001 -0.00015 160 4XY -0.00001 -0.00003 0.00005 -0.00006 0.00010 161 4XZ 0.00006 -0.00011 0.00031 -0.00005 0.00029 162 4YZ -0.00005 0.00006 0.00056 0.00019 0.00072 163 17 C 1S 0.00036 -0.00277 0.00023 -0.00030 -0.00175 164 2S -0.00219 0.00558 -0.00009 0.00341 0.00790 165 2PX -0.00195 0.00563 0.00830 0.00271 0.01455 166 2PY 0.00124 -0.00377 0.00125 -0.00122 -0.00408 167 2PZ 0.00113 -0.00609 0.00477 -0.00076 -0.00121 168 3S 0.00498 0.00632 -0.01329 -0.00835 -0.01097 169 3PX 0.00131 0.00279 0.00193 -0.00608 0.00278 170 3PY -0.00061 -0.00702 0.01779 -0.00295 -0.00014 171 3PZ -0.00138 -0.00232 0.01256 0.00112 0.00714 172 4XX 0.00024 -0.00090 0.00132 -0.00028 0.00047 173 4YY -0.00013 0.00042 -0.00088 0.00056 0.00018 174 4ZZ -0.00012 0.00004 -0.00046 0.00033 0.00021 175 4XY -0.00013 -0.00005 -0.00062 0.00013 -0.00019 176 4XZ -0.00007 -0.00021 -0.00007 -0.00026 -0.00106 177 4YZ -0.00020 0.00080 -0.00039 0.00029 0.00109 178 18 H 1S 0.00212 -0.00922 0.02167 -0.00236 0.01494 179 2S 0.00231 -0.00892 0.01856 0.00046 -0.00587 180 19 H 1S 0.00016 0.00034 0.00324 0.00188 0.00629 181 2S 0.00039 0.00086 -0.00562 0.00394 -0.00038 182 20 H 1S 0.00007 0.00008 -0.00307 -0.00006 -0.00332 183 2S 0.00002 0.00041 -0.00818 -0.00090 -0.00690 184 21 H 1S -0.00042 0.00085 0.00067 0.00069 0.00119 185 2S -0.00134 0.00231 0.00091 0.00085 0.00263 186 22 O 1S 0.00025 -0.00009 0.00096 -0.00059 -0.00014 187 2S -0.00036 -0.00045 -0.00029 0.00085 -0.00063 188 2PX -0.00187 0.00492 -0.00924 0.00537 0.00530 189 2PY -0.00039 -0.00046 0.00241 0.00010 0.00460 190 2PZ -0.00268 0.00633 0.00320 0.00470 0.01988 191 3S -0.00178 0.00483 -0.01348 0.00582 0.00435 192 3PX -0.00156 0.00340 -0.00965 0.00526 0.00245 193 3PY 0.00043 -0.00165 0.00430 -0.00155 0.00115 194 3PZ -0.00179 0.00550 -0.00125 0.00348 0.01286 195 4XX 0.00012 -0.00046 0.00085 -0.00033 -0.00041 196 4YY -0.00004 -0.00012 0.00046 -0.00008 -0.00040 197 4ZZ 0.00006 -0.00030 0.00084 -0.00017 -0.00014 198 4XY 0.00018 -0.00040 0.00034 -0.00051 -0.00073 199 4XZ -0.00001 -0.00001 -0.00005 -0.00009 -0.00016 200 4YZ 0.00006 -0.00015 -0.00004 -0.00018 -0.00069 201 23 O 1S -0.00015 -0.00007 0.00008 -0.00050 0.00015 202 2S 0.00032 0.00015 0.00053 0.00098 -0.00003 203 2PX 0.00116 -0.00084 -0.01550 0.00195 -0.02024 204 2PY 0.00010 0.00069 0.00393 0.00079 0.00420 205 2PZ -0.00008 0.00039 -0.03223 -0.00180 -0.03703 206 3S 0.00085 -0.00005 -0.00350 0.00380 -0.00274 207 3PX 0.00117 -0.00083 -0.01302 0.00284 -0.01570 208 3PY 0.00030 0.00027 0.00198 0.00171 0.00298 209 3PZ 0.00001 0.00001 -0.02741 -0.00203 -0.03252 210 4XX -0.00006 0.00003 0.00046 -0.00016 0.00044 211 4YY 0.00002 0.00000 0.00028 0.00005 0.00028 212 4ZZ -0.00002 -0.00003 -0.00017 -0.00011 -0.00033 213 4XY 0.00011 -0.00010 -0.00077 0.00024 -0.00076 214 4XZ -0.00001 0.00007 -0.00013 -0.00009 -0.00005 215 4YZ 0.00002 -0.00002 -0.00080 0.00001 -0.00096 36 37 38 39 40 36 3S 0.26432 37 3PX 0.01634 0.08668 38 3PY 0.00276 0.00755 0.05455 39 3PZ -0.00397 0.05484 0.01118 0.11049 40 4XX -0.00371 -0.00468 0.00171 -0.00276 0.00095 41 4YY -0.00155 0.00134 -0.00352 -0.00105 -0.00035 42 4ZZ -0.00579 0.00263 0.00197 0.00273 0.00025 43 4XY 0.00471 0.00015 0.00028 -0.00461 -0.00010 44 4XZ -0.00750 -0.00107 -0.00322 -0.00012 -0.00008 45 4YZ -0.00806 -0.00265 -0.00019 -0.00079 -0.00002 46 4 C 1S 0.01473 0.00613 -0.00667 0.00610 -0.00286 47 2S 0.00770 -0.02920 0.01128 0.00234 0.00532 48 2PX 0.05527 0.03262 0.07570 0.10301 -0.00576 49 2PY -0.07070 0.03497 0.02112 -0.00814 -0.00508 50 2PZ -0.06900 0.10232 -0.03896 0.04228 -0.00738 51 3S -0.03004 -0.04555 -0.00302 -0.03367 0.00594 52 3PX -0.00989 0.04186 0.03888 0.05937 -0.00453 53 3PY -0.01881 0.01923 0.01219 0.01419 -0.00107 54 3PZ -0.01507 0.05577 -0.01165 0.03289 -0.00487 55 4XX 0.00778 0.00510 0.00277 0.00766 -0.00029 56 4YY -0.01008 0.00163 -0.00248 -0.00298 -0.00024 57 4ZZ 0.00325 -0.00357 -0.00104 -0.00530 0.00017 58 4XY -0.00258 0.00020 0.00116 -0.00205 0.00034 59 4XZ -0.00620 0.00256 -0.00177 0.00192 -0.00002 60 4YZ 0.00069 -0.00192 -0.00013 -0.00094 -0.00014 61 5 H 1S 0.05362 -0.00669 -0.02769 -0.00887 -0.00010 62 2S 0.05628 -0.02228 -0.03802 -0.02184 0.00044 63 6 H 1S -0.06040 0.00143 0.02306 -0.00140 0.00153 64 2S -0.06446 0.00416 0.03583 0.00459 0.00254 65 7 H 1S 0.12988 0.04110 0.04419 -0.04701 -0.00006 66 2S 0.05903 0.02579 0.02900 -0.03689 0.00166 67 8 H 1S -0.06205 0.01870 -0.00220 -0.01316 -0.00207 68 2S -0.05687 0.01982 -0.00505 -0.01485 -0.00404 69 9 C 1S 0.01703 -0.00336 -0.00178 0.00862 -0.00079 70 2S -0.03537 0.00177 0.00177 -0.02359 0.00154 71 2PX -0.05022 -0.00371 -0.00923 -0.03111 0.00059 72 2PY 0.06258 -0.00214 -0.04892 0.01396 0.00121 73 2PZ 0.06851 -0.02546 0.00344 0.00485 -0.00382 74 3S -0.03875 0.01728 0.02603 -0.00287 0.00251 75 3PX -0.01814 0.00141 -0.00223 -0.00347 -0.00024 76 3PY 0.03174 0.00266 -0.02454 0.00470 0.00004 77 3PZ 0.02661 -0.03344 -0.00836 -0.02682 -0.00164 78 4XX 0.00549 0.00018 0.00094 0.00432 -0.00027 79 4YY -0.00310 0.00163 -0.00111 -0.00154 0.00002 80 4ZZ -0.00030 -0.00333 0.00046 -0.00239 0.00019 81 4XY 0.00052 0.00243 0.00049 0.00288 -0.00020 82 4XZ -0.00216 -0.00027 -0.00085 -0.00430 0.00005 83 4YZ -0.00435 0.00280 0.00253 0.00072 -0.00035 84 10 H 1S 0.03828 -0.00170 0.01025 0.02380 -0.00093 85 2S 0.04612 0.00372 0.00928 0.04475 -0.00185 86 11 H 1S 0.00174 -0.01675 -0.00108 -0.02315 -0.00060 87 2S 0.00803 -0.00721 -0.00083 -0.00888 -0.00017 88 12 C 1S -0.00475 -0.00385 0.00047 -0.00685 -0.00048 89 2S -0.00232 0.01480 0.00202 0.01175 0.00017 90 2PX 0.01647 0.00361 -0.01714 0.01415 0.00460 91 2PY 0.00697 0.00363 -0.00203 0.01546 0.00072 92 2PZ 0.01960 0.00093 0.00012 0.00809 0.00457 93 3S 0.01242 0.02823 0.00094 0.03700 0.00094 94 3PX 0.01149 -0.00081 -0.00869 0.00929 0.00319 95 3PY 0.00140 0.00871 0.00253 0.01568 0.00001 96 3PZ 0.01862 0.00229 -0.00490 0.00777 0.00360 97 4XX 0.00029 -0.00316 0.00006 -0.00326 0.00012 98 4YY -0.00011 0.00099 0.00021 0.00075 -0.00011 99 4ZZ 0.00062 0.00019 -0.00084 0.00071 0.00006 100 4XY 0.00085 -0.00313 -0.00100 -0.00256 0.00008 101 4XZ -0.00029 -0.00226 -0.00057 -0.00257 0.00023 102 4YZ 0.00081 -0.00262 -0.00002 -0.00245 0.00011 103 13 C 1S 0.00403 -0.00828 -0.00290 -0.00469 -0.00008 104 2S 0.00223 0.01167 0.00108 0.01116 -0.00003 105 2PX -0.01990 0.06369 0.01666 0.05173 -0.00023 106 2PY -0.01251 0.00182 0.00366 -0.01246 -0.00097 107 2PZ -0.00973 0.04066 0.00389 0.03488 -0.00056 108 3S -0.00270 0.02513 0.00926 0.03002 -0.00038 109 3PX -0.01079 0.04502 0.00868 0.03638 -0.00066 110 3PY -0.01093 -0.00701 0.00146 -0.01623 -0.00048 111 3PZ -0.01192 0.03911 0.00946 0.03657 -0.00080 112 4XX -0.00025 -0.00215 -0.00016 -0.00208 -0.00001 113 4YY 0.00027 0.00043 -0.00010 0.00027 -0.00001 114 4ZZ -0.00043 0.00152 0.00042 0.00128 -0.00002 115 4XY 0.00097 -0.00071 -0.00106 0.00008 0.00021 116 4XZ -0.00183 0.00059 0.00056 -0.00065 -0.00006 117 4YZ 0.00097 0.00009 0.00011 0.00076 0.00023 118 14 C 1S -0.00402 0.00412 0.00245 0.00121 -0.00008 119 2S 0.00575 -0.00882 -0.00464 -0.00342 0.00039 120 2PX 0.00490 -0.00493 -0.00493 -0.00106 0.00011 121 2PY 0.01296 -0.01369 -0.00706 -0.00290 0.00036 122 2PZ -0.01207 0.02211 0.00885 0.01180 -0.00072 123 3S 0.00875 -0.01254 -0.01050 -0.01213 0.00006 124 3PX 0.00024 0.00146 -0.00356 -0.00195 -0.00015 125 3PY 0.00220 -0.00761 -0.00230 -0.00698 -0.00008 126 3PZ -0.00240 0.01070 0.00448 0.00911 -0.00048 127 4XX 0.00011 0.00267 0.00026 0.00289 -0.00001 128 4YY -0.00066 -0.00046 0.00020 -0.00120 0.00001 129 4ZZ 0.00035 -0.00169 -0.00018 -0.00114 0.00004 130 4XY 0.00017 0.00072 -0.00020 0.00087 -0.00004 131 4XZ -0.00054 0.00134 0.00035 0.00093 -0.00006 132 4YZ -0.00091 0.00331 0.00076 0.00323 -0.00006 133 15 C 1S 0.00186 -0.00202 -0.00071 -0.00106 0.00001 134 2S -0.00303 0.00387 0.00115 0.00188 0.00011 135 2PX -0.00313 -0.00306 0.00033 -0.00408 -0.00023 136 2PY -0.00003 -0.00116 -0.00162 -0.00224 0.00013 137 2PZ -0.00422 -0.01240 -0.00184 -0.01548 -0.00034 138 3S -0.00490 0.01094 0.00656 0.00979 0.00002 139 3PX -0.00389 -0.00329 0.00066 -0.00472 -0.00005 140 3PY 0.00176 -0.00235 0.00114 0.00027 0.00001 141 3PZ -0.00420 -0.00961 -0.00144 -0.01238 -0.00015 142 4XX 0.00024 0.00020 0.00001 0.00047 0.00000 143 4YY -0.00038 0.00032 0.00003 -0.00002 0.00000 144 4ZZ 0.00034 -0.00079 -0.00026 -0.00057 0.00001 145 4XY 0.00003 -0.00069 -0.00026 -0.00057 0.00000 146 4XZ -0.00005 0.00065 0.00024 0.00062 -0.00002 147 4YZ 0.00027 -0.00023 0.00001 -0.00009 -0.00001 148 16 C 1S 0.00136 0.00006 0.00128 0.00070 0.00000 149 2S -0.00394 0.00051 -0.00240 -0.00125 0.00005 150 2PX -0.00213 -0.01063 -0.00445 -0.00981 -0.00002 151 2PY 0.00104 -0.00269 -0.00201 -0.00050 -0.00005 152 2PZ 0.00647 -0.01198 0.00018 -0.00857 -0.00016 153 3S -0.00406 0.00040 -0.01023 -0.00331 0.00038 154 3PX -0.00039 -0.00667 -0.00394 -0.00608 0.00002 155 3PY 0.00021 -0.00070 0.00011 0.00140 0.00001 156 3PZ 0.00247 -0.00963 0.00042 -0.00833 -0.00010 157 4XX 0.00068 0.00027 0.00026 0.00083 0.00000 158 4YY 0.00001 0.00010 -0.00005 0.00006 0.00001 159 4ZZ -0.00065 -0.00001 0.00014 -0.00044 -0.00004 160 4XY 0.00022 0.00001 -0.00012 0.00020 0.00001 161 4XZ 0.00053 0.00003 -0.00010 0.00039 0.00003 162 4YZ 0.00052 0.00047 0.00026 0.00087 0.00000 163 17 C 1S 0.00719 -0.00426 -0.00289 0.00133 0.00022 164 2S -0.00454 0.00545 0.00595 0.00292 -0.00049 165 2PX 0.01583 0.00627 0.00914 0.01849 -0.00018 166 2PY 0.00637 -0.00302 -0.00436 -0.00062 0.00055 167 2PZ 0.02229 -0.00736 -0.00508 0.00973 0.00092 168 3S -0.00849 -0.00349 0.00318 -0.01049 -0.00048 169 3PX 0.00636 0.00124 0.00040 0.00531 -0.00024 170 3PY 0.00087 0.00621 -0.00441 0.00506 0.00033 171 3PZ 0.01482 0.00165 -0.00012 0.01196 0.00002 172 4XX 0.00038 0.00072 -0.00041 0.00107 0.00023 173 4YY -0.00004 -0.00026 0.00039 -0.00024 -0.00007 174 4ZZ -0.00059 -0.00031 0.00006 -0.00033 -0.00010 175 4XY -0.00051 -0.00038 -0.00027 -0.00014 -0.00013 176 4XZ 0.00043 -0.00034 -0.00039 -0.00041 0.00012 177 4YZ 0.00025 0.00013 0.00134 0.00053 -0.00024 178 18 H 1S -0.00229 0.01022 -0.00446 0.01230 -0.00079 179 2S -0.00158 0.00361 -0.00610 0.00099 -0.00053 180 19 H 1S 0.00471 0.00227 0.00306 0.00661 0.00074 181 2S -0.00011 -0.00139 0.00489 0.00044 0.00083 182 20 H 1S -0.00093 -0.00268 -0.00070 -0.00307 0.00003 183 2S 0.00148 -0.00745 -0.00262 -0.00580 0.00008 184 21 H 1S 0.00143 0.00074 0.00125 0.00130 -0.00010 185 2S 0.00218 0.00146 0.00314 0.00231 -0.00025 186 22 O 1S -0.00406 0.00162 0.00053 -0.00124 0.00007 187 2S 0.00739 -0.00229 -0.00115 0.00256 -0.00009 188 2PX 0.00043 -0.00259 0.00309 0.00503 -0.00189 189 2PY 0.00451 0.00003 0.00118 0.00686 -0.00050 190 2PZ 0.01640 0.00207 0.01472 0.01746 -0.00232 191 3S 0.01264 -0.00795 0.00195 0.00329 -0.00029 192 3PX -0.00118 -0.00345 0.00211 0.00139 -0.00132 193 3PY 0.00132 0.00116 -0.00003 0.00383 -0.00031 194 3PZ 0.00836 0.00089 0.01119 0.00978 -0.00178 195 4XX -0.00027 0.00029 -0.00019 0.00006 0.00002 196 4YY -0.00055 0.00032 -0.00016 -0.00044 0.00004 197 4ZZ -0.00018 0.00030 -0.00005 0.00011 -0.00002 198 4XY -0.00055 0.00003 -0.00044 -0.00075 0.00008 199 4XZ 0.00015 -0.00010 0.00002 0.00000 -0.00001 200 4YZ -0.00133 0.00023 -0.00048 -0.00091 0.00007 201 23 O 1S 0.00272 -0.00102 -0.00164 0.00114 0.00000 202 2S -0.00647 0.00309 0.00369 -0.00254 0.00000 203 2PX -0.00309 -0.01281 0.00145 -0.01638 0.00056 204 2PY -0.00746 0.00731 0.00256 0.00180 -0.00030 205 2PZ 0.00564 -0.02765 -0.00470 -0.03117 0.00093 206 3S -0.00575 -0.00105 0.00452 -0.00492 -0.00015 207 3PX -0.00269 -0.01024 0.00183 -0.01248 0.00041 208 3PY -0.00440 0.00378 0.00194 0.00138 -0.00024 209 3PZ 0.00519 -0.02392 -0.00468 -0.02568 0.00080 210 4XX 0.00016 0.00037 -0.00010 0.00035 0.00000 211 4YY -0.00040 0.00042 0.00011 0.00025 0.00000 212 4ZZ 0.00009 -0.00021 -0.00012 -0.00024 0.00002 213 4XY -0.00011 -0.00070 0.00002 -0.00072 0.00003 214 4XZ -0.00006 -0.00001 0.00000 -0.00016 -0.00001 215 4YZ -0.00019 -0.00055 0.00006 -0.00105 0.00001 41 42 43 44 45 41 4YY 0.00112 42 4ZZ -0.00011 0.00080 43 4XY 0.00011 0.00007 0.00112 44 4XZ 0.00045 -0.00015 -0.00029 0.00077 45 4YZ 0.00001 0.00003 -0.00050 0.00029 0.00107 46 4 C 1S 0.00245 -0.00068 0.00310 0.00415 -0.00245 47 2S -0.00591 0.00089 -0.00586 -0.00779 0.00443 48 2PX -0.00620 0.00259 -0.00403 -0.00543 0.00626 49 2PY 0.01054 -0.00208 -0.00533 0.00702 0.00480 50 2PZ 0.00518 0.00936 0.00570 -0.00061 -0.00117 51 3S -0.00498 -0.00067 -0.00785 -0.00508 0.00803 52 3PX -0.00198 0.00330 -0.00115 -0.00191 0.00470 53 3PY 0.00297 0.00017 -0.00216 0.00177 -0.00037 54 3PZ 0.00213 0.00447 0.00268 -0.00090 0.00044 55 4XX -0.00018 -0.00004 -0.00013 -0.00005 -0.00038 56 4YY 0.00074 0.00006 0.00006 0.00028 0.00020 57 4ZZ -0.00004 -0.00016 0.00039 0.00018 -0.00017 58 4XY -0.00016 0.00024 0.00034 -0.00006 -0.00026 59 4XZ 0.00023 0.00013 -0.00012 0.00044 -0.00012 60 4YZ 0.00032 -0.00049 -0.00033 0.00027 0.00039 61 5 H 1S -0.00202 -0.00038 -0.00189 0.00009 0.00132 62 2S -0.00194 -0.00140 -0.00171 0.00018 0.00109 63 6 H 1S 0.00058 0.00144 -0.00576 -0.00056 0.00543 64 2S -0.00296 0.00274 -0.00542 -0.00159 0.00531 65 7 H 1S -0.00144 0.00090 0.00998 -0.00774 -0.00984 66 2S -0.00090 0.00251 0.00889 -0.00510 -0.00904 67 8 H 1S 0.00615 -0.00030 -0.00403 0.00205 0.00433 68 2S 0.00678 -0.00054 -0.00129 0.00317 0.00398 69 9 C 1S 0.00082 -0.00141 -0.00099 0.00105 0.00047 70 2S -0.00154 0.00296 0.00232 -0.00246 -0.00091 71 2PX -0.00197 0.00426 0.00209 -0.00236 -0.00075 72 2PY -0.00315 0.00379 0.00474 -0.00427 -0.00217 73 2PZ 0.00262 -0.00389 -0.00337 0.00586 0.00329 74 3S -0.00350 0.00507 0.00226 -0.00353 -0.00296 75 3PX -0.00101 0.00231 0.00052 -0.00113 -0.00075 76 3PY -0.00062 0.00191 0.00381 -0.00168 -0.00221 77 3PZ 0.00194 -0.00282 -0.00028 0.00281 0.00317 78 4XX 0.00012 -0.00022 -0.00024 0.00018 -0.00003 79 4YY 0.00006 0.00019 -0.00008 -0.00011 0.00008 80 4ZZ -0.00011 -0.00013 0.00018 0.00001 0.00011 81 4XY -0.00027 0.00029 0.00000 -0.00023 0.00042 82 4XZ 0.00003 0.00005 0.00001 0.00028 0.00018 83 4YZ 0.00037 0.00002 0.00016 0.00024 0.00010 84 10 H 1S 0.00095 -0.00214 -0.00132 0.00125 0.00026 85 2S 0.00093 -0.00190 -0.00220 0.00103 -0.00046 86 11 H 1S -0.00008 0.00024 0.00013 0.00159 0.00129 87 2S 0.00005 -0.00083 -0.00078 0.00235 0.00096 88 12 C 1S 0.00006 -0.00002 0.00032 -0.00047 0.00050 89 2S -0.00027 -0.00003 -0.00069 0.00112 -0.00061 90 2PX -0.00185 -0.00330 -0.00322 0.00314 -0.00407 91 2PY -0.00052 -0.00034 -0.00038 0.00019 -0.00096 92 2PZ -0.00067 -0.00339 -0.00259 0.00085 -0.00285 93 3S -0.00131 0.00041 -0.00141 0.00068 -0.00173 94 3PX -0.00141 -0.00265 -0.00298 0.00231 -0.00244 95 3PY 0.00013 -0.00023 -0.00091 0.00052 -0.00075 96 3PZ -0.00068 -0.00232 -0.00178 0.00091 -0.00340 97 4XX -0.00002 -0.00012 0.00009 -0.00009 0.00009 98 4YY 0.00007 0.00005 -0.00001 0.00003 0.00002 99 4ZZ -0.00001 0.00000 -0.00002 0.00002 -0.00016 100 4XY 0.00001 -0.00009 -0.00004 0.00001 -0.00006 101 4XZ -0.00004 -0.00012 -0.00001 -0.00004 -0.00002 102 4YZ 0.00006 -0.00007 -0.00002 -0.00008 -0.00002 103 13 C 1S -0.00008 -0.00022 0.00031 -0.00026 0.00020 104 2S 0.00007 0.00024 -0.00080 0.00049 -0.00046 105 2PX -0.00072 0.00043 -0.00067 0.00187 0.00069 106 2PY 0.00053 0.00044 0.00068 0.00021 0.00115 107 2PZ -0.00006 -0.00012 -0.00004 0.00133 0.00076 108 3S 0.00034 -0.00003 -0.00255 0.00121 -0.00131 109 3PX -0.00006 0.00059 0.00019 0.00130 0.00026 110 3PY 0.00066 0.00000 0.00071 0.00017 0.00086 111 3PZ -0.00041 0.00038 -0.00079 0.00105 0.00102 112 4XX 0.00005 -0.00001 0.00022 -0.00007 0.00015 113 4YY -0.00002 0.00000 -0.00006 0.00003 -0.00003 114 4ZZ -0.00004 0.00005 -0.00005 -0.00003 0.00000 115 4XY -0.00005 -0.00017 -0.00014 0.00010 -0.00024 116 4XZ 0.00002 0.00006 0.00017 -0.00003 0.00017 117 4YZ -0.00004 -0.00015 -0.00015 0.00004 -0.00022 118 14 C 1S -0.00002 0.00005 0.00002 0.00004 0.00017 119 2S 0.00002 -0.00022 -0.00004 -0.00008 -0.00061 120 2PX 0.00017 -0.00005 -0.00048 0.00006 -0.00076 121 2PY -0.00005 -0.00041 -0.00003 -0.00023 -0.00046 122 2PZ -0.00014 0.00072 -0.00004 0.00026 0.00046 123 3S 0.00026 -0.00028 0.00078 -0.00006 0.00003 124 3PX 0.00022 0.00000 0.00016 0.00020 -0.00029 125 3PY 0.00031 0.00005 0.00069 -0.00018 0.00003 126 3PZ -0.00010 0.00038 -0.00063 -0.00004 0.00003 127 4XX -0.00004 0.00000 -0.00006 0.00007 0.00000 128 4YY 0.00002 0.00002 0.00005 -0.00002 -0.00001 129 4ZZ -0.00001 0.00000 0.00002 -0.00005 -0.00003 130 4XY 0.00002 -0.00001 -0.00005 0.00003 0.00000 131 4XZ 0.00000 0.00001 0.00000 0.00003 0.00009 132 4YZ -0.00003 0.00006 0.00000 0.00007 0.00010 133 15 C 1S 0.00003 -0.00009 -0.00002 -0.00003 -0.00003 134 2S -0.00009 0.00020 0.00010 0.00005 0.00000 135 2PX -0.00010 0.00065 0.00063 -0.00025 0.00049 136 2PY 0.00013 -0.00003 -0.00012 0.00003 -0.00006 137 2PZ 0.00028 0.00063 0.00050 -0.00046 0.00046 138 3S -0.00024 0.00004 -0.00010 0.00042 0.00047 139 3PX 0.00001 0.00028 0.00032 -0.00010 0.00031 140 3PY -0.00003 -0.00012 -0.00027 -0.00001 0.00026 141 3PZ 0.00019 0.00044 0.00048 -0.00034 0.00040 142 4XX 0.00000 0.00000 -0.00002 0.00001 -0.00003 143 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 144 4ZZ 0.00000 -0.00002 0.00002 -0.00002 -0.00001 145 4XY 0.00000 0.00001 0.00000 0.00000 -0.00001 146 4XZ 0.00000 0.00000 -0.00002 0.00002 0.00001 147 4YZ 0.00000 0.00002 0.00003 -0.00002 0.00003 148 16 C 1S 0.00010 0.00001 0.00006 -0.00010 0.00010 149 2S -0.00016 0.00004 -0.00013 0.00026 -0.00016 150 2PX -0.00022 0.00040 0.00026 0.00005 -0.00010 151 2PY -0.00019 -0.00015 -0.00003 0.00014 -0.00018 152 2PZ 0.00019 0.00059 0.00075 -0.00077 0.00051 153 3S -0.00028 -0.00003 -0.00007 0.00045 -0.00098 154 3PX -0.00019 0.00035 0.00035 -0.00014 0.00000 155 3PY -0.00023 -0.00022 -0.00024 0.00033 0.00016 156 3PZ 0.00007 0.00040 0.00056 -0.00048 0.00045 157 4XX -0.00001 0.00000 -0.00002 -0.00001 -0.00003 158 4YY -0.00001 0.00000 -0.00001 0.00001 -0.00001 159 4ZZ 0.00002 0.00002 0.00003 -0.00002 0.00006 160 4XY -0.00001 -0.00003 -0.00003 0.00003 -0.00004 161 4XZ -0.00001 -0.00003 -0.00004 0.00003 -0.00004 162 4YZ -0.00001 -0.00001 -0.00001 -0.00001 0.00000 163 17 C 1S -0.00025 -0.00030 -0.00015 -0.00002 -0.00011 164 2S 0.00014 0.00056 0.00032 -0.00041 0.00036 165 2PX 0.00016 0.00039 0.00004 -0.00068 -0.00001 166 2PY -0.00007 -0.00027 -0.00028 0.00034 -0.00046 167 2PZ -0.00060 -0.00065 -0.00088 0.00060 -0.00139 168 3S 0.00062 -0.00021 0.00024 0.00008 0.00095 169 3PX 0.00009 -0.00006 -0.00006 0.00009 0.00008 170 3PY 0.00004 0.00013 0.00003 0.00006 -0.00078 171 3PZ -0.00001 0.00004 -0.00036 0.00002 -0.00091 172 4XX -0.00006 -0.00018 -0.00019 0.00013 -0.00019 173 4YY 0.00001 0.00006 0.00004 -0.00005 0.00010 174 4ZZ -0.00001 0.00011 0.00009 -0.00005 0.00009 175 4XY 0.00001 0.00011 0.00007 -0.00001 0.00007 176 4XZ 0.00002 -0.00010 -0.00006 0.00002 -0.00008 177 4YZ 0.00006 0.00016 0.00016 -0.00013 0.00026 178 18 H 1S -0.00044 0.00073 0.00010 0.00089 -0.00038 179 2S -0.00019 0.00068 0.00090 0.00043 -0.00059 180 19 H 1S -0.00036 -0.00004 -0.00096 -0.00003 -0.00088 181 2S -0.00052 -0.00005 -0.00074 -0.00021 -0.00007 182 20 H 1S 0.00004 -0.00004 -0.00005 -0.00001 -0.00011 183 2S 0.00005 -0.00023 -0.00015 0.00000 -0.00021 184 21 H 1S 0.00005 0.00006 0.00017 -0.00021 0.00019 185 2S 0.00014 0.00017 0.00035 -0.00043 0.00043 186 22 O 1S 0.00005 0.00005 0.00000 0.00008 -0.00004 187 2S -0.00002 0.00002 0.00001 -0.00019 0.00005 188 2PX 0.00010 0.00176 0.00112 -0.00069 0.00130 189 2PY -0.00011 0.00014 0.00010 -0.00021 0.00026 190 2PZ 0.00026 0.00166 0.00142 -0.00126 0.00232 191 3S -0.00032 -0.00008 -0.00016 -0.00036 0.00049 192 3PX 0.00002 0.00126 0.00082 -0.00053 0.00102 193 3PY 0.00006 0.00011 0.00010 -0.00007 0.00013 194 3PZ 0.00023 0.00125 0.00116 -0.00097 0.00198 195 4XX 0.00002 -0.00001 -0.00001 0.00002 -0.00003 196 4YY 0.00001 0.00001 0.00002 0.00001 -0.00004 197 4ZZ 0.00001 0.00003 0.00003 -0.00001 0.00000 198 4XY 0.00000 -0.00009 -0.00005 0.00006 -0.00006 199 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 200 4YZ 0.00001 -0.00005 -0.00004 0.00004 -0.00006 201 23 O 1S -0.00003 -0.00006 -0.00003 -0.00001 -0.00002 202 2S 0.00004 0.00015 0.00002 0.00006 0.00007 203 2PX 0.00014 0.00021 0.00078 -0.00033 -0.00037 204 2PY 0.00014 0.00026 0.00017 0.00015 0.00038 205 2PZ 0.00014 -0.00070 -0.00033 -0.00057 -0.00145 206 3S 0.00027 0.00024 0.00038 -0.00008 0.00005 207 3PX 0.00010 0.00016 0.00064 -0.00030 -0.00017 208 3PY 0.00015 0.00018 0.00017 0.00006 0.00022 209 3PZ 0.00013 -0.00061 -0.00009 -0.00045 -0.00106 210 4XX -0.00002 0.00000 -0.00002 0.00001 0.00001 211 4YY 0.00000 0.00000 -0.00001 0.00001 0.00001 212 4ZZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 213 4XY 0.00001 0.00001 0.00002 -0.00001 -0.00004 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 215 4YZ 0.00001 0.00000 0.00000 -0.00002 -0.00004 46 47 48 49 50 46 4 C 1S 2.05588 47 2S -0.06347 0.33136 48 2PX -0.00188 0.00585 0.36493 49 2PY -0.00383 -0.00245 -0.01259 0.42724 50 2PZ -0.00083 0.00299 -0.05574 0.00473 0.35262 51 3S -0.20651 0.31272 -0.02760 0.02673 -0.02525 52 3PX 0.00614 -0.01452 0.19121 0.01420 0.03487 53 3PY 0.01021 0.00362 -0.00868 0.13562 0.00838 54 3PZ 0.00534 -0.00134 0.02110 0.00760 0.16583 55 4XX -0.01198 -0.01143 0.01109 -0.00331 -0.00456 56 4YY -0.01922 0.00304 -0.00899 0.01392 0.00980 57 4ZZ -0.01278 -0.00997 -0.00512 -0.00565 -0.00433 58 4XY 0.00142 -0.00304 -0.00718 -0.00491 0.00270 59 4XZ 0.00284 -0.00630 -0.00562 0.00313 0.00386 60 4YZ -0.00101 0.00194 0.00287 0.01289 -0.00898 61 5 H 1S -0.00895 0.02085 -0.01221 -0.02911 0.00808 62 2S -0.01155 0.02975 -0.03652 -0.05780 -0.00213 63 6 H 1S -0.00892 0.02090 0.02527 -0.01547 -0.01355 64 2S -0.01359 0.02920 0.05793 -0.02838 -0.02455 65 7 H 1S 0.01289 -0.02687 -0.03861 -0.00372 0.02926 66 2S 0.01717 -0.02960 -0.07837 -0.01894 0.05448 67 8 H 1S -0.06339 0.11899 -0.04898 0.25521 0.05992 68 2S -0.01474 0.02691 -0.01754 0.20899 0.05506 69 9 C 1S 0.01239 -0.02252 0.02049 0.04745 -0.03706 70 2S -0.02352 0.04064 -0.04682 -0.09464 0.07546 71 2PX -0.01370 0.02561 0.00589 -0.04870 0.06089 72 2PY -0.05293 0.11431 -0.08426 -0.17874 0.17360 73 2PZ 0.04216 -0.08692 0.07960 0.13634 -0.08152 74 3S 0.00484 0.01016 -0.02402 -0.11341 0.07383 75 3PX -0.00078 0.00570 0.01762 -0.02014 0.03020 76 3PY -0.00832 0.02930 -0.04888 -0.08053 0.09345 77 3PZ 0.00745 -0.02434 0.02088 0.05972 -0.04275 78 4XX 0.00201 -0.00424 0.00658 0.00374 -0.00424 79 4YY -0.00355 0.00604 -0.00459 0.00468 0.00594 80 4ZZ -0.00031 -0.00008 0.00112 -0.00241 -0.00544 81 4XY -0.00221 0.00436 0.00845 -0.00456 0.00719 82 4XZ 0.00203 -0.00388 -0.00382 0.00486 0.00064 83 4YZ 0.00495 -0.01002 0.00632 0.00988 -0.00069 84 10 H 1S 0.00787 -0.01726 0.01653 0.01558 -0.02926 85 2S 0.01093 -0.01961 0.04844 0.02670 -0.03364 86 11 H 1S 0.00924 -0.02396 0.01836 0.01690 -0.00363 87 2S 0.01403 -0.03102 0.01334 0.03576 -0.02834 88 12 C 1S -0.00219 0.00171 0.00623 0.00161 0.00550 89 2S 0.00203 -0.01398 -0.00577 0.00146 -0.00901 90 2PX -0.00550 0.00685 -0.09400 -0.01402 -0.07591 91 2PY 0.00058 -0.00215 -0.01782 -0.01101 -0.01524 92 2PZ -0.00731 0.01154 -0.08418 -0.01057 -0.09388 93 3S 0.01382 0.00283 -0.01791 -0.01923 0.00294 94 3PX 0.00214 -0.00357 -0.05487 -0.00742 -0.07226 95 3PY 0.00408 -0.01196 0.00248 0.01152 -0.01413 96 3PZ 0.00083 0.00779 -0.07719 -0.01177 -0.06000 97 4XX -0.00105 0.00174 -0.00071 -0.00089 -0.00358 98 4YY -0.00018 -0.00110 0.00191 0.00182 0.00143 99 4ZZ -0.00061 0.00031 -0.00310 -0.00148 0.00071 100 4XY -0.00072 0.00165 -0.00283 0.00076 -0.00181 101 4XZ -0.00107 0.00311 -0.00443 -0.00126 -0.00248 102 4YZ -0.00083 0.00180 -0.00284 0.00050 -0.00250 103 13 C 1S -0.00138 0.00437 -0.00315 -0.00497 -0.00052 104 2S 0.00253 -0.00366 0.00497 0.00682 0.00329 105 2PX 0.00949 -0.02429 0.02520 0.01736 0.01188 106 2PY 0.00180 -0.00626 0.01756 0.01273 0.01603 107 2PZ 0.00909 -0.02179 0.02282 0.01634 0.00966 108 3S 0.00499 -0.02606 0.02359 0.03919 -0.01840 109 3PX 0.00828 -0.02023 0.01785 0.01730 0.02271 110 3PY 0.00116 -0.00858 0.00607 0.01190 0.00137 111 3PZ 0.00706 -0.02280 0.03727 0.01643 0.00765 112 4XX -0.00030 0.00071 0.00033 -0.00050 0.00042 113 4YY 0.00008 -0.00004 -0.00010 -0.00007 -0.00024 114 4ZZ -0.00017 0.00036 0.00065 -0.00033 0.00098 115 4XY -0.00035 0.00037 -0.00478 -0.00108 -0.00404 116 4XZ 0.00011 -0.00032 0.00159 0.00031 0.00206 117 4YZ -0.00041 0.00049 -0.00437 -0.00093 -0.00447 118 14 C 1S 0.00056 -0.00121 0.00340 0.00124 0.00207 119 2S -0.00120 0.00285 -0.01021 -0.00432 -0.00746 120 2PX 0.00080 0.00142 -0.00147 0.00079 -0.00417 121 2PY -0.00124 0.00433 -0.01044 -0.00491 -0.00707 122 2PZ 0.00310 -0.00735 0.02074 0.00873 0.01612 123 3S -0.00158 0.00600 -0.01740 -0.00717 0.00617 124 3PX 0.00117 -0.00093 -0.00523 -0.00145 0.00552 125 3PY -0.00182 0.00563 -0.00365 0.00156 0.00606 126 3PZ 0.00067 -0.00123 0.01495 0.00599 0.00566 127 4XX 0.00057 -0.00098 0.00081 0.00036 0.00043 128 4YY 0.00008 0.00019 -0.00040 -0.00025 0.00029 129 4ZZ -0.00023 0.00075 -0.00078 -0.00058 -0.00058 130 4XY 0.00029 -0.00059 0.00095 0.00068 0.00043 131 4XZ 0.00028 -0.00067 0.00160 0.00070 0.00072 132 4YZ 0.00058 -0.00129 0.00261 0.00118 0.00161 133 15 C 1S 0.00004 0.00024 -0.00001 -0.00017 -0.00100 134 2S -0.00036 0.00026 -0.00137 -0.00040 0.00290 135 2PX -0.00020 0.00217 0.00908 0.00102 0.01207 136 2PY -0.00058 0.00109 -0.00280 0.00071 -0.00201 137 2PZ -0.00074 0.00434 0.01031 0.00217 0.01056 138 3S 0.00350 -0.01065 0.00889 0.00380 -0.00513 139 3PX 0.00079 -0.00045 0.00491 0.00175 0.00320 140 3PY 0.00049 -0.00219 0.00536 0.00275 -0.00697 141 3PZ -0.00196 0.00539 0.00536 0.00222 0.00827 142 4XX 0.00014 -0.00020 0.00015 0.00008 -0.00016 143 4YY 0.00001 -0.00010 0.00003 0.00005 0.00018 144 4ZZ -0.00011 0.00030 -0.00059 -0.00033 -0.00027 145 4XY 0.00005 0.00012 -0.00002 -0.00017 -0.00001 146 4XZ 0.00009 -0.00022 0.00062 0.00036 0.00013 147 4YZ -0.00002 0.00001 0.00022 -0.00010 0.00034 148 16 C 1S 0.00011 -0.00011 0.00092 0.00064 -0.00015 149 2S 0.00061 -0.00051 -0.00056 -0.00066 -0.00003 150 2PX 0.00046 0.00204 0.00238 -0.00368 0.00493 151 2PY 0.00055 -0.00017 -0.00031 -0.00156 -0.00051 152 2PZ -0.00024 0.00213 0.00642 -0.00319 0.00730 153 3S -0.00447 0.00919 -0.01942 -0.01023 0.00946 154 3PX -0.00235 0.00619 -0.00102 -0.00539 0.00873 155 3PY 0.00081 -0.00505 0.00496 0.00090 -0.00687 156 3PZ 0.00076 0.00007 0.00685 -0.00242 0.00323 157 4XX 0.00030 -0.00043 0.00017 -0.00032 -0.00061 158 4YY 0.00003 -0.00001 -0.00026 0.00002 0.00000 159 4ZZ 0.00013 0.00002 0.00094 0.00044 0.00072 160 4XY 0.00006 -0.00019 -0.00049 -0.00025 -0.00062 161 4XZ 0.00001 -0.00006 -0.00062 0.00003 -0.00056 162 4YZ 0.00016 -0.00035 0.00001 -0.00020 -0.00030 163 17 C 1S -0.00136 0.00342 -0.00461 0.00026 -0.00036 164 2S 0.00291 -0.00666 0.01563 -0.00254 0.00200 165 2PX 0.00504 -0.01265 0.00602 -0.00777 -0.01040 166 2PY -0.00171 0.00175 -0.01170 -0.00197 -0.00275 167 2PZ 0.00135 -0.00214 -0.02295 -0.00875 -0.01907 168 3S 0.00388 -0.00966 0.00580 0.00777 -0.00870 169 3PX 0.00155 -0.00923 0.00139 -0.00454 -0.00455 170 3PY -0.00137 0.00999 -0.02081 -0.00169 0.01380 171 3PZ 0.00324 -0.00500 -0.00652 -0.00257 -0.00212 172 4XX -0.00072 0.00069 -0.00499 0.00018 -0.00423 173 4YY -0.00005 -0.00011 0.00236 0.00016 0.00095 174 4ZZ -0.00006 0.00028 0.00253 -0.00022 0.00263 175 4XY 0.00032 -0.00044 0.00246 -0.00022 0.00248 176 4XZ -0.00062 0.00118 -0.00309 0.00033 -0.00156 177 4YZ 0.00055 -0.00090 0.00507 0.00076 0.00349 178 18 H 1S 0.00454 -0.01158 0.00920 -0.00213 0.02062 179 2S 0.00361 -0.00775 -0.00274 -0.00487 0.02496 180 19 H 1S -0.00158 0.00449 -0.01094 -0.00486 -0.01167 181 2S -0.00255 0.00427 -0.00741 -0.00757 -0.01515 182 20 H 1S -0.00010 0.00050 -0.00128 -0.00069 -0.00120 183 2S -0.00006 0.00073 -0.00297 -0.00146 -0.00545 184 21 H 1S 0.00024 -0.00040 0.00237 -0.00035 0.00135 185 2S -0.00025 0.00095 0.00527 0.00077 0.00440 186 22 O 1S -0.00019 0.00028 -0.00148 0.00181 0.00029 187 2S 0.00108 -0.00053 0.00084 -0.00453 0.00116 188 2PX 0.00677 -0.01462 0.04253 -0.01206 0.02660 189 2PY 0.00171 -0.00124 0.00639 -0.00043 0.00376 190 2PZ 0.00658 -0.01323 0.05132 0.00223 0.03228 191 3S -0.00118 -0.00582 0.01868 -0.00657 -0.01053 192 3PX 0.00374 -0.00786 0.03153 -0.00786 0.01944 193 3PY 0.00170 0.00017 0.00019 0.00155 0.00543 194 3PZ 0.00415 -0.00879 0.04076 0.00289 0.02474 195 4XX 0.00028 0.00037 -0.00151 0.00056 0.00028 196 4YY 0.00030 0.00014 -0.00096 -0.00050 0.00042 197 4ZZ 0.00054 0.00011 -0.00032 0.00004 0.00125 198 4XY -0.00037 0.00084 -0.00214 0.00084 -0.00074 199 4XZ -0.00004 0.00006 -0.00009 0.00030 0.00005 200 4YZ -0.00027 0.00066 -0.00154 0.00026 -0.00063 201 23 O 1S -0.00011 0.00021 -0.00057 -0.00070 -0.00022 202 2S 0.00048 -0.00094 0.00105 0.00114 0.00031 203 2PX -0.00182 0.00683 -0.01243 -0.00553 -0.00511 204 2PY 0.00067 -0.00327 0.00712 0.00369 0.00549 205 2PZ -0.00585 0.01209 -0.03065 -0.01292 -0.02075 206 3S -0.00064 0.00183 0.00418 0.00617 0.00327 207 3PX -0.00159 0.00518 -0.00805 -0.00351 -0.00402 208 3PY 0.00031 -0.00188 0.00620 0.00431 0.00380 209 3PZ -0.00465 0.00982 -0.02597 -0.01102 -0.01675 210 4XX 0.00012 -0.00011 -0.00001 -0.00039 0.00009 211 4YY 0.00006 -0.00033 0.00020 0.00011 -0.00013 212 4ZZ 0.00000 0.00009 -0.00054 -0.00045 -0.00035 213 4XY -0.00007 0.00032 -0.00042 -0.00010 -0.00038 214 4XZ -0.00001 0.00004 0.00013 0.00001 0.00013 215 4YZ -0.00015 0.00028 -0.00065 -0.00028 -0.00029 51 52 53 54 55 51 3S 0.34826 52 3PX -0.02863 0.12345 53 3PY -0.00098 -0.00060 0.05500 54 3PZ -0.01743 0.04274 0.00415 0.08841 55 4XX -0.01294 0.00519 0.00008 -0.00041 0.00154 56 4YY 0.00628 -0.00208 0.00352 0.00334 -0.00081 57 4ZZ -0.00800 -0.00349 -0.00209 -0.00282 0.00022 58 4XY -0.00332 -0.00275 -0.00110 0.00016 -0.00001 59 4XZ -0.00569 -0.00165 0.00176 0.00100 0.00009 60 4YZ 0.00441 0.00057 0.00286 -0.00322 -0.00006 61 5 H 1S 0.04281 -0.01646 -0.01299 0.01188 -0.00009 62 2S 0.05261 -0.03535 -0.02475 0.00168 -0.00140 63 6 H 1S 0.04296 0.02338 -0.00293 -0.01060 -0.00009 64 2S 0.04959 0.03988 -0.00922 -0.01230 0.00043 65 7 H 1S -0.05788 -0.02140 0.00933 0.01195 0.00248 66 2S -0.05989 -0.03823 0.00846 0.01559 0.00025 67 8 H 1S 0.13648 -0.00946 0.07951 0.02550 -0.00857 68 2S 0.04306 0.01126 0.05456 0.02621 -0.00561 69 9 C 1S -0.00121 0.00107 0.01027 -0.00275 0.00197 70 2S 0.02020 -0.00793 -0.02774 0.01298 -0.00497 71 2PX 0.02819 0.00323 -0.01176 0.01871 -0.00769 72 2PY 0.07463 -0.04034 -0.04571 0.08014 -0.00363 73 2PZ -0.09527 0.02687 0.04875 -0.02725 0.00562 74 3S -0.02468 0.00393 -0.02365 0.01055 -0.00145 75 3PX -0.00055 0.00695 -0.00044 0.01148 -0.00249 76 3PY 0.00571 -0.02095 -0.01963 0.04240 -0.00141 77 3PZ -0.01528 0.00289 0.01042 -0.01664 -0.00079 78 4XX -0.00672 0.00246 0.00200 -0.00108 0.00070 79 4YY 0.00846 -0.00170 0.00116 0.00276 -0.00050 80 4ZZ -0.00006 -0.00013 -0.00112 -0.00269 -0.00015 81 4XY 0.00361 0.00634 -0.00210 0.00496 0.00008 82 4XZ -0.00170 -0.00124 0.00136 -0.00037 -0.00026 83 4YZ -0.00934 0.00529 0.00247 0.00051 0.00027 84 10 H 1S -0.03687 0.00848 0.00796 -0.01133 0.00497 85 2S -0.04455 0.01891 0.01766 -0.00531 0.00637 86 11 H 1S -0.03165 0.00839 0.00939 -0.00847 -0.00180 87 2S -0.03246 0.00469 0.01610 -0.01497 0.00055 88 12 C 1S 0.01599 -0.00175 -0.00381 -0.00314 -0.00129 89 2S -0.01073 0.00447 -0.00250 0.00128 0.00225 90 2PX -0.00311 -0.05779 0.00800 -0.05632 0.00173 91 2PY -0.01239 -0.01569 0.01863 -0.00853 0.00209 92 2PZ 0.01790 -0.06835 0.00622 -0.05215 0.00414 93 3S -0.00436 -0.00234 0.00873 0.01416 0.00430 94 3PX -0.00432 -0.03930 0.00559 -0.04660 0.00214 95 3PY -0.01641 -0.00220 0.01046 -0.00819 0.00189 96 3PZ 0.00596 -0.05621 0.00928 -0.03786 0.00262 97 4XX 0.00293 -0.00136 -0.00047 -0.00205 -0.00025 98 4YY -0.00112 0.00130 0.00007 0.00093 0.00004 99 4ZZ -0.00104 -0.00190 0.00048 -0.00023 0.00002 100 4XY 0.00142 -0.00243 0.00020 -0.00165 -0.00033 101 4XZ 0.00442 -0.00321 -0.00073 -0.00197 -0.00031 102 4YZ 0.00285 -0.00372 -0.00009 -0.00144 -0.00019 103 13 C 1S -0.00204 -0.00196 0.00255 -0.00021 -0.00061 104 2S -0.00498 0.00329 0.00104 0.00214 0.00105 105 2PX -0.02385 0.03415 0.00745 0.01414 0.00574 106 2PY 0.00561 0.02262 -0.01962 0.01360 -0.00133 107 2PZ -0.03620 0.04063 0.00690 0.00862 0.00424 108 3S -0.03013 0.01035 0.01258 -0.01339 0.00341 109 3PX -0.02537 0.02736 0.00766 0.01665 0.00381 110 3PY -0.00052 0.00683 -0.00961 -0.00028 -0.00158 111 3PZ -0.03115 0.04063 0.00803 0.00951 0.00426 112 4XX 0.00082 0.00024 -0.00046 0.00030 -0.00024 113 4YY 0.00020 0.00010 -0.00049 0.00001 0.00005 114 4ZZ 0.00037 0.00047 0.00053 0.00063 0.00011 115 4XY -0.00045 -0.00315 0.00040 -0.00310 0.00004 116 4XZ 0.00022 0.00233 -0.00099 0.00139 -0.00009 117 4YZ 0.00088 -0.00400 0.00043 -0.00262 0.00019 118 14 C 1S -0.00022 0.00341 -0.00030 0.00217 0.00040 119 2S -0.00031 -0.00941 0.00189 -0.00671 -0.00055 120 2PX -0.01433 -0.00069 0.01152 -0.00639 0.00023 121 2PY -0.00282 -0.01262 0.00821 -0.00386 -0.00048 122 2PZ -0.00300 0.01882 0.00303 0.01383 0.00140 123 3S 0.00526 -0.00968 -0.00125 0.00081 -0.00164 124 3PX -0.00541 -0.00099 0.00135 0.00038 -0.00014 125 3PY 0.00367 -0.00209 -0.00127 0.00238 -0.00108 126 3PZ -0.00125 0.00983 0.00394 0.00521 0.00098 127 4XX -0.00146 0.00108 0.00051 0.00027 0.00029 128 4YY 0.00080 -0.00014 -0.00093 0.00007 -0.00011 129 4ZZ 0.00052 -0.00120 0.00055 -0.00010 -0.00012 130 4XY -0.00092 0.00134 0.00002 0.00020 0.00008 131 4XZ -0.00056 0.00182 -0.00026 0.00063 0.00011 132 4YZ -0.00228 0.00312 0.00120 0.00200 0.00033 133 15 C 1S -0.00218 -0.00017 0.00066 -0.00121 -0.00005 134 2S 0.00447 -0.00121 0.00005 0.00342 -0.00002 135 2PX -0.00184 0.00786 0.00997 0.01491 -0.00056 136 2PY 0.00360 -0.00195 -0.00015 -0.00226 -0.00033 137 2PZ -0.00386 0.01071 0.00872 0.01193 -0.00131 138 3S -0.00372 0.00579 0.00731 0.00774 0.00138 139 3PX -0.00197 0.00439 0.00707 0.00703 -0.00037 140 3PY -0.00023 0.00203 0.00435 0.00018 0.00023 141 3PZ 0.00212 0.00706 0.00608 0.00885 -0.00126 142 4XX -0.00084 0.00015 0.00048 -0.00004 0.00007 143 4YY 0.00011 0.00016 -0.00025 -0.00006 -0.00001 144 4ZZ 0.00037 -0.00060 -0.00024 -0.00030 -0.00007 145 4XY -0.00067 0.00013 0.00014 -0.00010 -0.00004 146 4XZ -0.00030 0.00055 0.00014 0.00019 0.00007 147 4YZ -0.00006 0.00011 0.00034 0.00082 -0.00001 148 16 C 1S 0.00069 -0.00062 0.00193 0.00238 0.00020 149 2S -0.00457 0.00229 -0.00310 -0.00537 -0.00027 150 2PX -0.01399 0.00442 0.00482 0.00157 -0.00078 151 2PY -0.00857 0.00179 -0.00082 -0.00383 0.00000 152 2PZ -0.00471 0.00082 0.00838 0.01735 -0.00057 153 3S -0.00443 -0.00564 -0.01143 -0.01310 -0.00132 154 3PX -0.00569 0.00246 0.00230 0.00385 -0.00083 155 3PY -0.00604 0.00383 0.00252 -0.00153 0.00031 156 3PZ -0.00252 0.00271 0.00462 0.01044 -0.00051 157 4XX -0.00130 -0.00026 0.00012 -0.00009 0.00015 158 4YY 0.00049 -0.00024 0.00010 0.00022 -0.00002 159 4ZZ 0.00076 0.00086 -0.00005 0.00045 -0.00007 160 4XY -0.00035 -0.00049 -0.00044 -0.00083 0.00004 161 4XZ -0.00023 -0.00057 0.00023 -0.00025 0.00003 162 4YZ -0.00044 -0.00051 -0.00055 -0.00027 0.00008 163 17 C 1S -0.00371 -0.00522 0.00388 -0.00102 -0.00088 164 2S -0.00012 0.00885 -0.00114 0.00612 0.00152 165 2PX -0.02680 -0.01253 -0.00130 0.00399 0.00360 166 2PY 0.01249 -0.01094 -0.00159 0.00073 -0.00099 167 2PZ -0.03183 -0.02535 -0.00027 -0.01375 0.00137 168 3S 0.00325 0.00164 -0.00059 -0.00178 0.00045 169 3PX -0.01674 -0.00539 -0.00374 -0.00143 0.00116 170 3PY 0.00368 -0.00850 0.00422 0.00399 -0.00033 171 3PZ -0.02075 -0.01175 0.00167 0.00002 0.00153 172 4XX 0.00060 -0.00304 0.00101 -0.00296 0.00018 173 4YY 0.00008 0.00113 -0.00117 0.00074 -0.00009 174 4ZZ -0.00093 0.00222 0.00014 0.00149 -0.00012 175 4XY -0.00273 0.00126 -0.00186 -0.00033 -0.00014 176 4XZ 0.00185 -0.00220 0.00025 -0.00119 -0.00006 177 4YZ -0.00094 0.00259 -0.00046 0.00350 0.00004 178 18 H 1S -0.02325 0.01705 0.00468 0.00976 0.00033 179 2S -0.02170 0.00906 0.00254 0.00713 -0.00076 180 19 H 1S 0.00849 -0.01954 0.00611 -0.00674 0.00074 181 2S 0.01079 -0.01494 0.00418 -0.00641 0.00049 182 20 H 1S -0.00134 -0.00040 -0.00146 -0.00242 -0.00021 183 2S -0.00305 -0.00268 -0.00138 -0.00654 -0.00043 184 21 H 1S 0.00006 0.00064 -0.00098 0.00285 0.00013 185 2S 0.00211 0.00180 0.00112 0.00736 0.00030 186 22 O 1S 0.00539 0.00134 0.00306 0.00104 0.00007 187 2S -0.00709 -0.00499 -0.00752 -0.00132 -0.00037 188 2PX -0.04732 0.01494 -0.03252 0.00074 0.00005 189 2PY -0.02927 0.00199 -0.00191 -0.00436 0.00061 190 2PZ -0.02953 0.01997 -0.00175 0.03813 0.00192 191 3S -0.01885 0.00055 -0.01197 -0.00682 0.00007 192 3PX -0.02998 0.01243 -0.02331 0.00020 -0.00036 193 3PY -0.01540 -0.00010 -0.00053 -0.00135 0.00019 194 3PZ -0.01711 0.01810 -0.00200 0.02829 0.00103 195 4XX 0.00005 -0.00072 0.00032 -0.00020 -0.00001 196 4YY 0.00212 -0.00011 0.00023 0.00056 -0.00003 197 4ZZ -0.00032 0.00015 0.00021 0.00066 -0.00002 198 4XY 0.00253 -0.00031 0.00138 -0.00019 -0.00010 199 4XZ -0.00014 -0.00026 -0.00009 0.00002 0.00000 200 4YZ 0.00207 -0.00007 0.00019 -0.00113 -0.00012 201 23 O 1S -0.00056 -0.00044 0.00039 -0.00027 -0.00002 202 2S 0.00135 0.00154 -0.00156 0.00028 0.00003 203 2PX 0.00139 -0.01369 0.00280 -0.00344 -0.00122 204 2PY 0.00251 0.01065 -0.00890 0.00242 -0.00002 205 2PZ 0.02649 -0.03503 -0.01186 -0.02332 -0.00285 206 3S 0.00031 0.00215 0.00086 0.00244 -0.00035 207 3PX 0.00260 -0.00986 0.00109 -0.00225 -0.00099 208 3PY 0.00022 0.00745 -0.00427 0.00203 -0.00003 209 3PZ 0.02026 -0.02846 -0.00946 -0.01842 -0.00240 210 4XX -0.00011 0.00007 0.00006 0.00009 0.00005 211 4YY 0.00005 0.00045 -0.00046 -0.00016 0.00001 212 4ZZ 0.00032 -0.00047 -0.00004 -0.00024 -0.00001 213 4XY -0.00029 -0.00053 0.00043 -0.00035 -0.00005 214 4XZ 0.00016 0.00010 -0.00011 0.00007 -0.00001 215 4YZ 0.00102 -0.00087 -0.00046 -0.00054 -0.00009 56 57 58 59 60 56 4YY 0.00174 57 4ZZ -0.00043 0.00111 58 4XY -0.00010 0.00025 0.00062 59 4XZ 0.00020 0.00008 0.00005 0.00068 60 4YZ 0.00029 -0.00027 -0.00046 -0.00010 0.00095 61 5 H 1S -0.00369 0.00170 -0.00058 -0.00092 -0.00042 62 2S -0.00398 0.00255 -0.00069 -0.00156 -0.00061 63 6 H 1S -0.00184 -0.00045 0.00181 0.00009 -0.00180 64 2S -0.00218 -0.00148 0.00159 -0.00035 -0.00196 65 7 H 1S -0.00235 0.00349 0.00496 -0.00238 -0.00423 66 2S -0.00069 0.00325 0.00590 -0.00011 -0.00553 67 8 H 1S 0.01352 -0.00743 -0.00359 0.00054 0.00746 68 2S 0.01161 -0.00495 -0.00315 0.00096 0.00642 69 9 C 1S -0.00265 -0.00113 -0.00236 0.00125 0.00514 70 2S 0.00463 0.00172 0.00467 -0.00242 -0.00961 71 2PX 0.00327 0.00244 -0.00428 0.00654 -0.00465 72 2PY -0.00682 0.00305 0.00320 -0.00182 -0.00847 73 2PZ -0.00833 0.01001 -0.00474 0.00062 0.00352 74 3S 0.00116 0.00223 0.00649 -0.00161 -0.01206 75 3PX 0.00081 0.00101 -0.00250 0.00317 -0.00239 76 3PY -0.00284 0.00211 0.00205 -0.00034 -0.00439 77 3PZ -0.00182 0.00499 -0.00260 -0.00109 0.00266 78 4XX -0.00051 0.00016 -0.00010 -0.00025 0.00014 79 4YY 0.00060 -0.00049 -0.00005 0.00009 0.00016 80 4ZZ -0.00019 0.00036 -0.00011 0.00009 0.00008 81 4XY -0.00025 -0.00016 -0.00008 -0.00017 -0.00015 82 4XZ -0.00007 0.00065 -0.00010 0.00052 -0.00009 83 4YZ 0.00048 -0.00015 -0.00008 0.00019 0.00029 84 10 H 1S -0.00263 0.00063 0.00275 -0.00505 -0.00003 85 2S -0.00351 -0.00087 0.00026 -0.00360 0.00169 86 11 H 1S -0.00181 0.00740 -0.00218 0.00249 -0.00300 87 2S -0.00312 0.00601 -0.00230 0.00373 -0.00017 88 12 C 1S 0.00043 -0.00073 -0.00010 -0.00116 0.00010 89 2S -0.00208 0.00042 0.00034 0.00307 0.00021 90 2PX -0.00353 0.00380 0.00145 0.00573 0.00087 91 2PY -0.00136 0.00071 -0.00104 0.00240 -0.00149 92 2PZ -0.00324 0.00031 0.00123 0.00370 0.00138 93 3S -0.00466 0.00026 0.00070 0.00475 -0.00120 94 3PX -0.00315 0.00258 0.00052 0.00385 0.00098 95 3PY -0.00057 -0.00013 -0.00067 0.00166 -0.00003 96 3PZ -0.00280 0.00123 0.00123 0.00339 0.00022 97 4XX 0.00007 0.00008 -0.00005 -0.00027 0.00006 98 4YY 0.00007 -0.00005 -0.00002 0.00000 0.00006 99 4ZZ 0.00002 0.00004 0.00005 0.00009 -0.00012 100 4XY 0.00009 0.00013 -0.00001 -0.00015 0.00003 101 4XZ 0.00011 0.00001 0.00011 -0.00016 0.00005 102 4YZ 0.00011 -0.00006 -0.00003 -0.00021 0.00004 103 13 C 1S 0.00000 0.00029 -0.00031 -0.00050 -0.00040 104 2S -0.00032 -0.00014 0.00029 0.00081 0.00049 105 2PX -0.00179 -0.00093 0.00060 0.00515 0.00108 106 2PY 0.00057 -0.00060 0.00101 -0.00091 0.00134 107 2PZ -0.00177 0.00025 0.00046 0.00443 0.00110 108 3S -0.00018 -0.00080 -0.00040 0.00209 0.00129 109 3PX -0.00131 -0.00021 0.00032 0.00373 0.00051 110 3PY 0.00144 -0.00016 0.00032 -0.00107 0.00082 111 3PZ -0.00149 -0.00033 0.00002 0.00348 0.00073 112 4XX 0.00010 0.00007 -0.00003 -0.00016 0.00000 113 4YY -0.00011 0.00001 0.00000 0.00006 0.00002 114 4ZZ 0.00006 -0.00013 -0.00001 0.00002 -0.00005 115 4XY -0.00012 0.00016 0.00004 0.00021 0.00001 116 4XZ 0.00013 -0.00008 0.00007 -0.00005 0.00004 117 4YZ -0.00012 -0.00001 0.00007 0.00014 0.00002 118 14 C 1S 0.00013 -0.00010 0.00015 0.00006 0.00015 119 2S -0.00020 0.00055 -0.00031 0.00012 -0.00034 120 2PX -0.00020 0.00088 -0.00052 0.00022 -0.00016 121 2PY 0.00012 0.00081 -0.00018 0.00004 -0.00031 122 2PZ -0.00015 -0.00069 -0.00016 0.00114 0.00025 123 3S 0.00012 0.00103 -0.00012 -0.00036 -0.00045 124 3PX 0.00013 0.00038 -0.00011 0.00019 -0.00009 125 3PY 0.00005 0.00044 -0.00010 -0.00043 -0.00001 126 3PZ -0.00024 -0.00058 -0.00034 0.00036 0.00004 127 4XX -0.00012 -0.00001 0.00002 0.00025 0.00001 128 4YY 0.00003 -0.00002 0.00005 -0.00009 0.00001 129 4ZZ 0.00007 0.00002 -0.00001 -0.00011 -0.00003 130 4XY -0.00005 0.00000 0.00000 0.00007 0.00002 131 4XZ -0.00002 -0.00005 0.00002 0.00005 0.00005 132 4YZ -0.00006 -0.00008 0.00001 0.00028 0.00006 133 15 C 1S -0.00004 0.00010 -0.00002 -0.00021 0.00002 134 2S 0.00005 -0.00009 -0.00001 0.00051 -0.00007 135 2PX 0.00072 0.00008 -0.00046 0.00013 -0.00001 136 2PY 0.00004 0.00011 0.00005 -0.00003 0.00005 137 2PZ 0.00096 0.00032 -0.00063 -0.00088 0.00005 138 3S 0.00021 -0.00043 0.00015 0.00110 0.00039 139 3PX 0.00070 0.00002 -0.00024 -0.00006 0.00011 140 3PY 0.00006 -0.00004 -0.00007 -0.00002 0.00018 141 3PZ 0.00078 0.00026 -0.00038 -0.00067 0.00005 142 4XX -0.00003 0.00001 -0.00001 0.00004 0.00000 143 4YY 0.00000 0.00000 -0.00001 0.00003 0.00000 144 4ZZ 0.00001 0.00002 0.00000 -0.00005 -0.00001 145 4XY 0.00002 0.00004 -0.00001 -0.00004 0.00000 146 4XZ -0.00002 -0.00003 0.00001 0.00001 0.00002 147 4YZ 0.00001 -0.00001 -0.00001 0.00002 -0.00001 148 16 C 1S -0.00003 -0.00012 0.00007 -0.00001 0.00007 149 2S 0.00013 0.00044 -0.00018 0.00017 0.00004 150 2PX 0.00054 0.00095 -0.00054 -0.00030 0.00000 151 2PY 0.00003 0.00040 -0.00011 -0.00014 -0.00002 152 2PZ 0.00036 -0.00011 -0.00047 -0.00020 -0.00023 153 3S 0.00003 0.00102 0.00021 0.00001 -0.00040 154 3PX 0.00039 0.00054 -0.00020 -0.00025 -0.00019 155 3PY -0.00001 0.00036 -0.00009 0.00028 0.00028 156 3PZ 0.00028 0.00007 -0.00034 -0.00036 -0.00009 157 4XX -0.00009 -0.00002 -0.00001 0.00006 -0.00001 158 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 159 4ZZ 0.00006 -0.00004 -0.00001 -0.00007 0.00001 160 4XY -0.00004 0.00003 0.00001 0.00001 0.00000 161 4XZ -0.00004 0.00002 0.00003 0.00003 0.00001 162 4YZ -0.00006 -0.00004 0.00002 0.00004 -0.00002 163 17 C 1S 0.00007 0.00015 0.00026 0.00012 0.00007 164 2S -0.00044 -0.00077 -0.00060 -0.00001 -0.00033 165 2PX -0.00203 -0.00124 -0.00059 0.00175 -0.00066 166 2PY -0.00009 0.00036 0.00055 0.00019 0.00006 167 2PZ -0.00126 0.00121 0.00007 0.00173 -0.00002 168 3S 0.00066 -0.00047 -0.00067 -0.00073 0.00040 169 3PX -0.00048 -0.00012 -0.00026 0.00058 -0.00008 170 3PY 0.00030 -0.00013 0.00047 0.00073 -0.00050 171 3PZ -0.00089 0.00001 -0.00005 0.00108 -0.00038 172 4XX -0.00015 0.00010 0.00005 0.00031 0.00005 173 4YY 0.00005 -0.00006 0.00002 -0.00012 0.00004 174 4ZZ 0.00009 0.00001 -0.00004 -0.00011 -0.00005 175 4XY 0.00008 0.00002 -0.00007 -0.00014 -0.00004 176 4XZ 0.00002 0.00000 0.00007 -0.00001 0.00005 177 4YZ 0.00008 -0.00019 -0.00007 -0.00012 -0.00005 178 18 H 1S -0.00073 0.00131 -0.00029 0.00186 -0.00093 179 2S 0.00007 0.00150 0.00016 0.00083 -0.00113 180 19 H 1S -0.00014 -0.00037 -0.00019 0.00003 -0.00042 181 2S -0.00004 -0.00034 -0.00006 -0.00019 -0.00040 182 20 H 1S 0.00005 0.00015 -0.00003 -0.00023 -0.00002 183 2S 0.00007 0.00040 -0.00009 -0.00049 0.00000 184 21 H 1S -0.00004 -0.00028 -0.00003 0.00004 -0.00009 185 2S 0.00003 -0.00060 -0.00005 -0.00008 -0.00011 186 22 O 1S 0.00003 -0.00012 -0.00010 0.00007 0.00004 187 2S -0.00018 -0.00002 0.00039 -0.00006 -0.00017 188 2PX -0.00034 -0.00065 -0.00083 -0.00132 -0.00072 189 2PY -0.00012 0.00006 -0.00026 0.00033 -0.00019 190 2PZ 0.00005 -0.00159 -0.00067 -0.00016 -0.00068 191 3S -0.00084 0.00030 0.00003 -0.00035 0.00015 192 3PX -0.00009 -0.00040 -0.00057 -0.00122 -0.00044 193 3PY 0.00018 -0.00008 -0.00008 0.00024 -0.00016 194 3PZ 0.00027 -0.00122 -0.00053 -0.00044 -0.00041 195 4XX 0.00004 -0.00002 0.00002 0.00004 0.00000 196 4YY 0.00001 -0.00001 0.00003 -0.00002 -0.00003 197 4ZZ 0.00004 -0.00002 0.00002 0.00000 -0.00003 198 4XY 0.00008 0.00006 0.00005 0.00001 0.00005 199 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00001 200 4YZ 0.00004 0.00003 0.00003 -0.00004 0.00003 201 23 O 1S -0.00008 0.00005 -0.00004 0.00004 -0.00003 202 2S 0.00014 -0.00020 0.00013 -0.00013 0.00004 203 2PX 0.00077 0.00024 0.00011 -0.00114 -0.00006 204 2PY -0.00020 -0.00053 0.00006 -0.00003 0.00023 205 2PZ 0.00018 0.00081 -0.00005 -0.00225 -0.00063 206 3S 0.00024 0.00001 -0.00004 -0.00031 0.00021 207 3PX 0.00060 0.00010 0.00012 -0.00094 -0.00002 208 3PY -0.00008 -0.00029 -0.00002 0.00000 0.00021 209 3PZ 0.00020 0.00076 0.00002 -0.00182 -0.00048 210 4XX -0.00002 0.00000 0.00001 0.00002 -0.00001 211 4YY -0.00001 -0.00004 0.00001 0.00001 0.00000 212 4ZZ 0.00001 0.00000 0.00002 -0.00002 -0.00002 213 4XY 0.00003 0.00003 -0.00001 -0.00005 -0.00001 214 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 215 4YZ 0.00001 0.00002 -0.00001 -0.00007 -0.00002 61 62 63 64 65 61 5 H 1S 0.21329 62 2S 0.15226 0.13687 63 6 H 1S -0.01567 -0.01675 0.21483 64 2S -0.01747 -0.02006 0.16355 0.14590 65 7 H 1S -0.00984 -0.01818 -0.01578 -0.01601 0.21483 66 2S -0.01777 -0.02241 -0.01601 -0.01873 0.16355 67 8 H 1S -0.01139 -0.02246 -0.00984 -0.01777 -0.01567 68 2S -0.02246 -0.03172 -0.01818 -0.02241 -0.01675 69 9 C 1S 0.01067 0.00975 -0.00796 -0.00987 -0.00796 70 2S -0.02193 -0.01867 0.01746 0.02281 0.01746 71 2PX -0.00404 -0.00505 0.01113 0.02349 0.01113 72 2PY 0.04631 0.07845 -0.02208 -0.04540 0.02208 73 2PZ 0.01414 0.01812 -0.02496 -0.04513 -0.02496 74 3S -0.05409 -0.04478 0.04657 0.05248 0.04657 75 3PX -0.00513 -0.00484 0.00340 0.00984 0.00340 76 3PY 0.02630 0.03437 -0.02278 -0.03508 0.02278 77 3PZ 0.01661 0.02206 -0.02124 -0.03041 -0.02124 78 4XX -0.00140 -0.00072 -0.00177 -0.00270 -0.00177 79 4YY 0.00677 0.00426 0.00101 0.00131 0.00101 80 4ZZ -0.00225 -0.00162 -0.00072 -0.00056 -0.00072 81 4XY 0.00106 0.00094 0.00154 0.00226 -0.00154 82 4XZ 0.00149 0.00129 0.00148 0.00105 0.00148 83 4YZ -0.00221 -0.00539 -0.00048 0.00042 0.00048 84 10 H 1S -0.00923 -0.00573 -0.00900 -0.01771 -0.00900 85 2S -0.00712 -0.00702 -0.01792 -0.02384 -0.01792 86 11 H 1S -0.00518 -0.00203 -0.00157 -0.00570 -0.00157 87 2S -0.00145 -0.00294 -0.00398 -0.00896 -0.00398 88 12 C 1S -0.00110 -0.00273 0.00034 0.00157 0.00115 89 2S 0.00190 0.00247 -0.00080 -0.00211 -0.00235 90 2PX -0.00345 -0.00405 -0.00396 -0.01268 -0.00183 91 2PY -0.00941 -0.02681 -0.00080 0.00353 -0.00174 92 2PZ -0.00332 0.00272 -0.00263 -0.00576 0.00329 93 3S 0.00777 0.01581 -0.00254 -0.00510 -0.00166 94 3PX 0.00045 0.00067 0.00146 -0.00315 -0.00697 95 3PY -0.00771 -0.02242 -0.00117 0.00042 -0.00231 96 3PZ -0.00427 0.00057 -0.00573 -0.01038 0.00926 97 4XX 0.00020 0.00048 0.00014 0.00032 0.00012 98 4YY -0.00017 -0.00002 -0.00018 -0.00030 0.00001 99 4ZZ 0.00003 -0.00057 -0.00009 -0.00030 0.00031 100 4XY 0.00084 0.00134 -0.00003 -0.00070 0.00007 101 4XZ 0.00049 0.00148 0.00021 -0.00005 0.00013 102 4YZ 0.00086 0.00220 -0.00022 -0.00025 0.00036 103 13 C 1S 0.00398 0.00633 0.00115 0.00003 0.00034 104 2S -0.00764 -0.00763 -0.00235 -0.00301 -0.00080 105 2PX -0.01417 -0.02579 -0.00183 0.00836 -0.00396 106 2PY 0.01225 0.02883 0.00174 -0.00292 0.00080 107 2PZ -0.01428 -0.03793 0.00329 0.00051 -0.00263 108 3S -0.01878 -0.04505 -0.00166 0.00011 -0.00254 109 3PX -0.01529 -0.02283 -0.00697 -0.00246 0.00146 110 3PY 0.00150 0.00305 0.00231 0.00133 0.00117 111 3PZ -0.01249 -0.03405 0.00926 0.01124 -0.00573 112 4XX -0.00008 -0.00060 0.00012 -0.00015 0.00014 113 4YY 0.00083 0.00160 0.00001 -0.00020 -0.00018 114 4ZZ -0.00048 -0.00074 0.00031 0.00099 -0.00009 115 4XY -0.00119 -0.00106 -0.00007 -0.00065 0.00003 116 4XZ 0.00063 -0.00046 0.00013 0.00040 0.00021 117 4YZ -0.00105 -0.00037 -0.00036 -0.00025 0.00022 118 14 C 1S 0.00128 0.00096 0.00000 0.00176 -0.00013 119 2S -0.00487 -0.00688 0.00008 -0.00264 0.00076 120 2PX -0.01381 -0.00427 0.00132 -0.00177 -0.00097 121 2PY -0.00090 0.00509 -0.00042 -0.00296 0.00055 122 2PZ -0.00776 0.00805 0.00062 0.00597 -0.00111 123 3S 0.00175 0.00170 -0.00346 -0.00722 0.00182 124 3PX -0.00629 0.00546 -0.00168 -0.00232 0.00066 125 3PY -0.00522 0.00142 -0.00406 -0.00711 0.00245 126 3PZ -0.00466 0.00173 0.00239 0.00421 -0.00222 127 4XX -0.00024 -0.00174 -0.00018 0.00005 -0.00022 128 4YY 0.00019 0.00173 -0.00006 -0.00026 0.00031 129 4ZZ 0.00026 0.00074 -0.00004 0.00008 0.00011 130 4XY -0.00030 -0.00487 0.00008 -0.00031 -0.00018 131 4XZ 0.00060 -0.00043 0.00021 0.00028 -0.00028 132 4YZ -0.00031 -0.00126 0.00020 0.00078 -0.00030 133 15 C 1S -0.00005 -0.00331 0.00012 -0.00062 -0.00015 134 2S 0.00007 0.00733 -0.00041 0.00102 0.00078 135 2PX 0.00053 0.00383 0.00023 0.00403 0.00061 136 2PY 0.00030 -0.00586 0.00026 -0.00134 -0.00022 137 2PZ -0.00017 -0.01158 0.00200 0.00234 0.00026 138 3S 0.00124 0.01887 0.00228 0.00784 -0.00274 139 3PX 0.00107 0.00201 0.00089 0.00374 -0.00009 140 3PY 0.00224 0.00173 0.00293 0.00288 -0.00233 141 3PZ -0.00083 -0.00774 0.00119 0.00127 0.00060 142 4XX -0.00057 -0.00029 0.00004 -0.00001 -0.00001 143 4YY 0.00002 -0.00041 0.00000 0.00005 0.00003 144 4ZZ 0.00038 0.00020 -0.00006 -0.00019 0.00008 145 4XY 0.00026 -0.00044 0.00007 -0.00002 0.00002 146 4XZ -0.00011 -0.00032 -0.00005 0.00003 -0.00014 147 4YZ 0.00036 -0.00047 -0.00004 0.00007 0.00006 148 16 C 1S -0.00019 0.00037 -0.00015 0.00002 0.00012 149 2S 0.00024 -0.00188 0.00078 0.00067 -0.00041 150 2PX 0.00308 -0.00683 0.00061 0.00136 0.00023 151 2PY -0.00041 0.00135 0.00022 0.00002 -0.00026 152 2PZ 0.00489 -0.00367 0.00026 0.00155 0.00200 153 3S -0.00299 -0.00961 -0.00274 -0.00574 0.00228 154 3PX 0.00189 -0.00439 -0.00009 0.00016 0.00089 155 3PY 0.00084 0.00536 0.00233 0.00304 -0.00293 156 3PZ 0.00493 -0.00323 0.00060 0.00173 0.00119 157 4XX -0.00015 -0.00031 -0.00001 0.00006 0.00004 158 4YY 0.00003 0.00018 0.00003 -0.00001 0.00000 159 4ZZ -0.00001 0.00007 0.00008 0.00020 -0.00006 160 4XY 0.00000 -0.00024 -0.00002 -0.00019 -0.00007 161 4XZ 0.00004 0.00000 -0.00014 -0.00029 -0.00005 162 4YZ 0.00001 0.00063 -0.00006 -0.00004 0.00004 163 17 C 1S 0.00039 0.00145 -0.00013 -0.00149 0.00000 164 2S -0.00211 -0.00499 0.00076 0.00427 0.00008 165 2PX -0.00090 -0.00407 -0.00097 0.00227 0.00132 166 2PY 0.00202 0.00690 -0.00055 -0.00492 0.00042 167 2PZ 0.00250 0.00103 -0.00111 -0.00568 0.00062 168 3S 0.00049 -0.00208 0.00182 0.00505 -0.00346 169 3PX 0.00026 0.00198 0.00066 0.00141 -0.00168 170 3PY -0.00392 -0.00356 -0.00245 -0.00405 0.00406 171 3PZ 0.00178 -0.00076 -0.00221 -0.00455 0.00239 172 4XX -0.00047 -0.00041 -0.00022 -0.00039 -0.00018 173 4YY 0.00012 0.00054 0.00031 0.00025 -0.00006 174 4ZZ 0.00003 -0.00067 0.00011 0.00040 -0.00004 175 4XY -0.00005 -0.00007 0.00018 0.00017 -0.00008 176 4XZ 0.00012 0.00063 -0.00028 -0.00061 0.00021 177 4YZ 0.00001 0.00041 0.00030 0.00066 -0.00020 178 18 H 1S -0.00282 -0.01312 -0.00021 -0.00080 -0.00175 179 2S -0.00468 -0.01380 -0.00089 -0.00265 0.00671 180 19 H 1S -0.00481 -0.00047 -0.00175 0.00356 -0.00021 181 2S -0.00254 0.00457 0.00671 0.01215 -0.00089 182 20 H 1S -0.00041 -0.00048 0.00056 -0.00035 0.00015 183 2S 0.00049 -0.00307 0.00078 -0.00121 -0.00053 184 21 H 1S 0.00005 0.00270 0.00015 0.00077 0.00056 185 2S -0.00057 0.00357 -0.00053 0.00101 0.00078 186 22 O 1S -0.00043 -0.00068 -0.00014 0.00042 -0.00006 187 2S 0.00065 0.00134 0.00025 -0.00126 0.00077 188 2PX 0.00110 0.00233 0.00399 0.00499 -0.00068 189 2PY -0.00167 -0.00616 0.00020 0.00219 -0.00058 190 2PZ -0.00176 -0.00085 0.00348 0.00602 -0.00226 191 3S 0.00442 0.00492 0.00154 0.00084 -0.00236 192 3PX 0.00117 0.00239 0.00306 0.00367 -0.00065 193 3PY -0.00208 -0.00483 -0.00012 0.00085 0.00014 194 3PZ -0.00158 -0.00057 0.00299 0.00553 -0.00223 195 4XX -0.00028 -0.00031 -0.00009 -0.00015 0.00017 196 4YY -0.00004 0.00019 -0.00005 -0.00013 0.00027 197 4ZZ -0.00020 -0.00033 -0.00001 0.00001 0.00021 198 4XY -0.00006 -0.00002 -0.00014 -0.00028 0.00000 199 4XZ 0.00004 0.00012 -0.00005 -0.00010 0.00000 200 4YZ -0.00003 -0.00008 -0.00013 -0.00011 0.00010 201 23 O 1S 0.00173 -0.00515 -0.00006 -0.00032 -0.00014 202 2S -0.00341 0.01047 0.00077 0.00153 0.00025 203 2PX -0.00696 0.06201 -0.00068 0.00140 0.00399 204 2PY 0.00220 -0.01962 0.00058 0.00029 -0.00020 205 2PZ -0.00318 0.01090 -0.00226 -0.00657 0.00348 206 3S -0.00998 0.01585 -0.00236 -0.00320 0.00154 207 3PX -0.00347 0.04476 -0.00065 0.00096 0.00306 208 3PY -0.00104 -0.01290 -0.00014 -0.00070 0.00012 209 3PZ -0.00094 0.00871 -0.00223 -0.00597 0.00299 210 4XX 0.00062 0.00045 0.00017 0.00029 -0.00009 211 4YY -0.00004 -0.00196 0.00027 0.00029 -0.00005 212 4ZZ 0.00026 0.00014 0.00021 0.00027 -0.00001 213 4XY -0.00074 0.00225 0.00000 0.00001 0.00014 214 4XZ 0.00024 0.00057 0.00000 0.00000 -0.00005 215 4YZ -0.00044 0.00067 -0.00010 -0.00013 0.00013 66 67 68 69 70 66 2S 0.14590 67 8 H 1S -0.01747 0.21329 68 2S -0.02006 0.15226 0.13687 69 9 C 1S -0.00987 0.01067 0.00975 2.05183 70 2S 0.02281 -0.02193 -0.01867 -0.05486 0.31004 71 2PX 0.02349 -0.00404 -0.00505 0.00251 -0.00279 72 2PY 0.04540 -0.04631 -0.07845 0.00000 0.00000 73 2PZ -0.04513 0.01414 0.01812 -0.00293 -0.00199 74 3S 0.05248 -0.05409 -0.04478 -0.18941 0.28950 75 3PX 0.00984 -0.00513 -0.00484 0.00220 -0.00785 76 3PY 0.03508 -0.02630 -0.03437 0.00000 0.00000 77 3PZ -0.03041 0.01661 0.02206 -0.00169 0.01057 78 4XX -0.00270 -0.00140 -0.00072 -0.01854 0.00085 79 4YY 0.00131 0.00677 0.00426 -0.01402 -0.00803 80 4ZZ -0.00056 -0.00225 -0.00162 -0.01722 -0.00185 81 4XY -0.00226 -0.00106 -0.00094 0.00000 0.00000 82 4XZ 0.00105 0.00149 0.00129 0.00024 -0.00038 83 4YZ -0.00042 0.00221 0.00539 0.00000 0.00000 84 10 H 1S -0.01771 -0.00923 -0.00573 -0.05636 0.10716 85 2S -0.02384 -0.00712 -0.00702 -0.00597 0.01925 86 11 H 1S -0.00570 -0.00518 -0.00203 -0.05181 0.09899 87 2S -0.00896 -0.00145 -0.00294 -0.00301 0.01254 88 12 C 1S 0.00003 0.00398 0.00633 -0.00249 0.00450 89 2S -0.00301 -0.00764 -0.00763 0.00412 -0.01055 90 2PX 0.00836 -0.01417 -0.02579 0.00644 -0.01937 91 2PY 0.00292 -0.01225 -0.02883 -0.00119 0.00279 92 2PZ 0.00051 -0.01428 -0.03793 0.00897 -0.02618 93 3S 0.00011 -0.01878 -0.04505 0.00984 -0.02012 94 3PX -0.00246 -0.01529 -0.02283 0.00606 -0.01874 95 3PY -0.00133 -0.00150 -0.00305 0.00167 -0.00556 96 3PZ 0.01124 -0.01249 -0.03405 0.00794 -0.01784 97 4XX -0.00015 -0.00008 -0.00060 -0.00047 0.00058 98 4YY -0.00020 0.00083 0.00160 0.00018 -0.00077 99 4ZZ 0.00099 -0.00048 -0.00074 -0.00069 0.00105 100 4XY 0.00065 0.00119 0.00106 -0.00023 0.00042 101 4XZ 0.00040 0.00063 -0.00046 -0.00040 0.00095 102 4YZ 0.00025 0.00105 0.00037 -0.00004 0.00037 103 13 C 1S 0.00157 -0.00110 -0.00273 -0.00249 0.00450 104 2S -0.00211 0.00190 0.00247 0.00412 -0.01055 105 2PX -0.01268 -0.00345 -0.00405 0.00644 -0.01937 106 2PY -0.00353 0.00941 0.02681 0.00119 -0.00279 107 2PZ -0.00576 -0.00332 0.00272 0.00897 -0.02618 108 3S -0.00510 0.00777 0.01581 0.00984 -0.02012 109 3PX -0.00315 0.00045 0.00067 0.00606 -0.01874 110 3PY -0.00042 0.00771 0.02242 -0.00167 0.00557 111 3PZ -0.01038 -0.00427 0.00057 0.00794 -0.01784 112 4XX 0.00032 0.00020 0.00048 -0.00047 0.00058 113 4YY -0.00030 -0.00017 -0.00002 0.00018 -0.00077 114 4ZZ -0.00030 0.00003 -0.00057 -0.00069 0.00105 115 4XY 0.00070 -0.00084 -0.00134 0.00023 -0.00042 116 4XZ -0.00005 0.00049 0.00148 -0.00040 0.00095 117 4YZ 0.00025 -0.00086 -0.00220 0.00004 -0.00037 118 14 C 1S -0.00149 0.00039 0.00145 -0.00067 0.00120 119 2S 0.00427 -0.00211 -0.00499 0.00190 -0.00328 120 2PX 0.00227 -0.00090 -0.00407 0.00290 -0.00736 121 2PY 0.00492 -0.00202 -0.00690 0.00115 -0.00249 122 2PZ -0.00568 0.00250 0.00103 0.00352 -0.00935 123 3S 0.00505 0.00049 -0.00208 -0.00143 0.00174 124 3PX 0.00141 0.00026 0.00198 -0.00070 -0.00106 125 3PY 0.00405 0.00392 0.00356 0.00158 -0.00346 126 3PZ -0.00455 0.00178 -0.00076 0.00234 -0.00481 127 4XX -0.00039 -0.00047 -0.00041 0.00023 -0.00092 128 4YY 0.00025 0.00012 0.00054 -0.00016 0.00021 129 4ZZ 0.00040 0.00003 -0.00067 -0.00013 0.00056 130 4XY -0.00017 0.00005 0.00007 0.00029 -0.00075 131 4XZ -0.00061 0.00012 0.00063 -0.00014 0.00007 132 4YZ -0.00066 -0.00001 -0.00041 0.00031 -0.00101 133 15 C 1S 0.00002 -0.00019 0.00037 -0.00029 0.00123 134 2S 0.00067 0.00024 -0.00188 0.00200 -0.00368 135 2PX 0.00136 0.00308 -0.00683 0.00382 -0.00704 136 2PY -0.00002 0.00041 -0.00135 0.00065 -0.00054 137 2PZ 0.00155 0.00489 -0.00367 0.00342 -0.00571 138 3S -0.00574 -0.00299 -0.00961 -0.00191 0.00073 139 3PX 0.00016 0.00189 -0.00439 0.00065 -0.00189 140 3PY -0.00304 -0.00084 -0.00536 -0.00014 0.00079 141 3PZ 0.00173 0.00493 -0.00323 0.00231 -0.00360 142 4XX 0.00006 -0.00015 -0.00031 0.00024 -0.00043 143 4YY -0.00001 0.00003 0.00018 0.00027 -0.00037 144 4ZZ 0.00020 -0.00001 0.00007 0.00012 0.00021 145 4XY 0.00019 0.00000 0.00024 0.00007 -0.00012 146 4XZ -0.00029 0.00004 0.00000 -0.00007 0.00010 147 4YZ 0.00004 -0.00001 -0.00063 0.00013 -0.00024 148 16 C 1S -0.00062 -0.00005 -0.00331 -0.00029 0.00123 149 2S 0.00102 0.00007 0.00733 0.00200 -0.00368 150 2PX 0.00403 0.00053 0.00383 0.00382 -0.00704 151 2PY 0.00134 -0.00030 0.00586 -0.00065 0.00054 152 2PZ 0.00234 -0.00017 -0.01158 0.00342 -0.00571 153 3S 0.00784 0.00124 0.01887 -0.00191 0.00073 154 3PX 0.00374 0.00107 0.00201 0.00065 -0.00189 155 3PY -0.00288 -0.00224 -0.00173 0.00014 -0.00079 156 3PZ 0.00127 -0.00083 -0.00774 0.00231 -0.00360 157 4XX -0.00001 -0.00057 -0.00029 0.00024 -0.00043 158 4YY 0.00005 0.00002 -0.00041 0.00027 -0.00037 159 4ZZ -0.00019 0.00038 0.00020 0.00012 0.00021 160 4XY 0.00002 -0.00026 0.00044 -0.00007 0.00012 161 4XZ 0.00003 -0.00011 -0.00032 -0.00007 0.00010 162 4YZ -0.00007 -0.00036 0.00047 -0.00013 0.00024 163 17 C 1S 0.00176 0.00128 0.00096 -0.00067 0.00120 164 2S -0.00264 -0.00487 -0.00688 0.00190 -0.00328 165 2PX -0.00177 -0.01381 -0.00427 0.00290 -0.00736 166 2PY 0.00296 0.00090 -0.00509 -0.00115 0.00249 167 2PZ 0.00597 -0.00776 0.00805 0.00352 -0.00935 168 3S -0.00722 0.00175 0.00170 -0.00143 0.00174 169 3PX -0.00232 -0.00629 0.00546 -0.00070 -0.00106 170 3PY 0.00711 0.00522 -0.00142 -0.00158 0.00346 171 3PZ 0.00421 -0.00466 0.00173 0.00234 -0.00481 172 4XX 0.00005 -0.00024 -0.00174 0.00023 -0.00092 173 4YY -0.00026 0.00019 0.00173 -0.00016 0.00021 174 4ZZ 0.00008 0.00026 0.00074 -0.00013 0.00056 175 4XY 0.00031 0.00030 0.00487 -0.00029 0.00075 176 4XZ 0.00028 0.00060 -0.00043 -0.00014 0.00007 177 4YZ -0.00078 0.00031 0.00126 -0.00031 0.00101 178 18 H 1S 0.00356 -0.00481 -0.00047 -0.00113 0.00335 179 2S 0.01215 -0.00254 0.00457 -0.00241 0.00805 180 19 H 1S -0.00080 -0.00282 -0.01312 -0.00113 0.00335 181 2S -0.00265 -0.00468 -0.01380 -0.00241 0.00805 182 20 H 1S 0.00077 0.00005 0.00270 -0.00019 0.00030 183 2S 0.00101 -0.00057 0.00357 -0.00044 0.00096 184 21 H 1S -0.00035 -0.00041 -0.00048 -0.00019 0.00030 185 2S -0.00121 0.00049 -0.00307 -0.00044 0.00096 186 22 O 1S -0.00032 0.00173 -0.00515 0.00002 -0.00031 187 2S 0.00153 -0.00341 0.01047 -0.00061 0.00194 188 2PX 0.00140 -0.00696 0.06201 -0.00295 0.00604 189 2PY -0.00029 -0.00220 0.01962 -0.00001 -0.00029 190 2PZ -0.00657 -0.00318 0.01090 -0.00211 0.00706 191 3S -0.00320 -0.00998 0.01585 0.00226 -0.00379 192 3PX 0.00096 -0.00347 0.04476 -0.00208 0.00483 193 3PY 0.00070 0.00104 0.01290 -0.00090 0.00164 194 3PZ -0.00597 -0.00094 0.00871 -0.00212 0.00633 195 4XX 0.00029 0.00062 0.00045 -0.00014 0.00024 196 4YY 0.00029 -0.00004 -0.00196 -0.00013 0.00037 197 4ZZ 0.00027 0.00026 0.00014 -0.00022 0.00047 198 4XY -0.00001 0.00074 -0.00225 -0.00001 -0.00001 199 4XZ 0.00000 0.00024 0.00057 0.00000 -0.00001 200 4YZ 0.00013 0.00044 -0.00067 0.00000 -0.00002 201 23 O 1S 0.00042 -0.00043 -0.00068 0.00002 -0.00031 202 2S -0.00126 0.00065 0.00134 -0.00061 0.00194 203 2PX 0.00499 0.00110 0.00233 -0.00295 0.00604 204 2PY -0.00219 0.00167 0.00616 0.00001 0.00029 205 2PZ 0.00602 -0.00176 -0.00085 -0.00211 0.00706 206 3S 0.00084 0.00442 0.00492 0.00226 -0.00379 207 3PX 0.00367 0.00117 0.00239 -0.00208 0.00483 208 3PY -0.00085 0.00208 0.00483 0.00090 -0.00164 209 3PZ 0.00553 -0.00158 -0.00057 -0.00212 0.00633 210 4XX -0.00015 -0.00028 -0.00031 -0.00014 0.00024 211 4YY -0.00013 -0.00004 0.00019 -0.00013 0.00037 212 4ZZ 0.00001 -0.00020 -0.00033 -0.00022 0.00047 213 4XY 0.00028 0.00006 0.00002 0.00001 0.00001 214 4XZ -0.00010 0.00004 0.00012 0.00000 -0.00001 215 4YZ 0.00011 0.00003 0.00008 0.00000 0.00002 71 72 73 74 75 71 2PX 0.41673 72 2PY 0.00000 0.37652 73 2PZ -0.00588 0.00000 0.39894 74 3S -0.00311 0.00000 -0.00386 0.31537 75 3PX 0.19464 0.00000 0.00848 -0.00338 0.09623 76 3PY 0.00000 0.17400 0.00000 0.00000 0.00000 77 3PZ 0.00167 0.00000 0.17163 -0.00579 0.00029 78 4XX -0.01437 0.00000 0.01432 0.00292 -0.00567 79 4YY 0.00503 0.00000 -0.01331 -0.00795 0.00201 80 4ZZ 0.00884 0.00000 0.00523 -0.00108 0.00376 81 4XY 0.00000 0.00857 0.00000 0.00000 0.00000 82 4XZ 0.01750 0.00000 0.01311 -0.00060 0.00783 83 4YZ 0.00000 -0.01626 0.00000 0.00000 0.00000 84 10 H 1S -0.25461 0.00000 0.08490 0.10456 -0.11552 85 2S -0.20015 0.00000 0.06842 0.01980 -0.08197 86 11 H 1S 0.16107 0.00000 0.20744 0.09241 0.07687 87 2S 0.12985 0.00000 0.17650 0.00969 0.06141 88 12 C 1S -0.00323 -0.00092 -0.00610 0.00837 -0.00299 89 2S 0.00794 -0.00548 0.01412 -0.01591 0.00317 90 2PX 0.00634 0.01018 0.02266 -0.01500 -0.00043 91 2PY 0.00064 -0.00362 -0.00489 0.02179 0.01578 92 2PZ 0.01441 -0.00479 0.02855 -0.02516 -0.00254 93 3S 0.01281 0.04203 0.02887 -0.01773 0.00641 94 3PX 0.01111 -0.01022 0.02986 -0.01454 0.00280 95 3PY 0.00422 -0.02096 0.00885 0.00247 0.00718 96 3PZ 0.01176 0.01270 0.02302 -0.01288 0.00141 97 4XX 0.00013 -0.00098 -0.00064 0.00049 -0.00013 98 4YY 0.00050 -0.00062 0.00122 -0.00118 0.00003 99 4ZZ -0.00155 0.00108 -0.00249 0.00153 -0.00007 100 4XY -0.00072 -0.00005 -0.00037 0.00007 -0.00020 101 4XZ -0.00112 0.00091 -0.00242 0.00021 -0.00139 102 4YZ 0.00023 -0.00082 -0.00034 -0.00004 0.00020 103 13 C 1S -0.00323 0.00092 -0.00610 0.00837 -0.00299 104 2S 0.00794 0.00548 0.01412 -0.01591 0.00317 105 2PX 0.00634 -0.01018 0.02266 -0.01501 -0.00043 106 2PY -0.00064 -0.00362 0.00489 -0.02179 -0.01578 107 2PZ 0.01441 0.00479 0.02855 -0.02516 -0.00254 108 3S 0.01281 -0.04203 0.02887 -0.01773 0.00641 109 3PX 0.01111 0.01022 0.02986 -0.01454 0.00280 110 3PY -0.00422 -0.02096 -0.00885 -0.00247 -0.00718 111 3PZ 0.01176 -0.01270 0.02302 -0.01288 0.00141 112 4XX 0.00013 0.00098 -0.00064 0.00049 -0.00013 113 4YY 0.00050 0.00062 0.00122 -0.00118 0.00003 114 4ZZ -0.00155 -0.00108 -0.00249 0.00153 -0.00007 115 4XY 0.00072 -0.00005 0.00037 -0.00007 0.00020 116 4XZ -0.00112 -0.00091 -0.00242 0.00021 -0.00139 117 4YZ -0.00023 -0.00082 0.00034 0.00004 -0.00020 118 14 C 1S -0.00310 -0.00243 -0.00085 0.00203 -0.00195 119 2S 0.01031 0.00517 0.00175 -0.00260 0.00688 120 2PX 0.00847 0.00850 0.00937 -0.00399 0.01476 121 2PY 0.00757 0.00590 0.00000 0.00725 0.00765 122 2PZ 0.01036 -0.00233 0.00452 -0.00962 0.01109 123 3S -0.00015 0.02146 0.00061 0.00064 0.00048 124 3PX 0.00114 0.00762 0.00063 0.00028 0.00507 125 3PY 0.00743 0.01773 0.01070 -0.00518 0.00266 126 3PZ 0.00349 -0.00259 0.00516 -0.00379 0.00583 127 4XX 0.00000 0.00032 0.00127 0.00031 -0.00042 128 4YY -0.00007 0.00045 -0.00038 -0.00073 -0.00033 129 4ZZ 0.00013 -0.00046 -0.00138 0.00039 0.00083 130 4XY 0.00021 0.00042 0.00093 -0.00217 -0.00034 131 4XZ -0.00131 -0.00068 0.00022 -0.00022 -0.00114 132 4YZ 0.00052 -0.00111 0.00054 -0.00106 0.00031 133 15 C 1S -0.00319 0.00075 0.00121 -0.00147 -0.00001 134 2S 0.01103 0.00059 -0.00203 -0.00199 0.00542 135 2PX 0.02346 -0.00150 -0.00943 -0.01835 0.02448 136 2PY 0.00191 0.00080 0.00056 -0.00509 0.00134 137 2PZ 0.02199 0.00073 -0.00850 -0.02858 0.02347 138 3S 0.00079 -0.02610 -0.00655 0.00420 0.00147 139 3PX 0.01174 -0.00880 -0.00917 -0.00973 0.01386 140 3PY -0.00151 -0.01165 -0.00024 -0.00043 -0.00061 141 3PZ 0.01659 0.00292 -0.00540 -0.01956 0.01588 142 4XX -0.00012 0.00018 0.00039 -0.00025 0.00028 143 4YY 0.00102 -0.00001 -0.00003 -0.00058 0.00037 144 4ZZ -0.00019 0.00026 -0.00027 0.00029 -0.00035 145 4XY 0.00039 0.00009 -0.00035 -0.00066 0.00056 146 4XZ -0.00127 -0.00015 0.00038 -0.00007 -0.00049 147 4YZ 0.00088 -0.00014 -0.00040 -0.00126 0.00084 148 16 C 1S -0.00319 -0.00075 0.00121 -0.00147 -0.00001 149 2S 0.01103 -0.00059 -0.00203 -0.00199 0.00542 150 2PX 0.02346 0.00150 -0.00943 -0.01835 0.02448 151 2PY -0.00191 0.00080 -0.00056 0.00509 -0.00134 152 2PZ 0.02199 -0.00074 -0.00850 -0.02858 0.02347 153 3S 0.00079 0.02610 -0.00655 0.00420 0.00147 154 3PX 0.01174 0.00880 -0.00917 -0.00973 0.01386 155 3PY 0.00151 -0.01165 0.00024 0.00043 0.00061 156 3PZ 0.01659 -0.00292 -0.00540 -0.01956 0.01588 157 4XX -0.00012 -0.00018 0.00039 -0.00025 0.00028 158 4YY 0.00102 0.00001 -0.00003 -0.00058 0.00037 159 4ZZ -0.00019 -0.00026 -0.00027 0.00029 -0.00035 160 4XY -0.00039 0.00009 0.00035 0.00066 -0.00056 161 4XZ -0.00127 0.00015 0.00038 -0.00007 -0.00049 162 4YZ -0.00088 -0.00014 0.00040 0.00126 -0.00084 163 17 C 1S -0.00310 0.00243 -0.00085 0.00203 -0.00195 164 2S 0.01031 -0.00517 0.00175 -0.00260 0.00688 165 2PX 0.00847 -0.00850 0.00937 -0.00399 0.01476 166 2PY -0.00757 0.00590 0.00000 -0.00725 -0.00765 167 2PZ 0.01036 0.00233 0.00452 -0.00962 0.01109 168 3S -0.00015 -0.02146 0.00061 0.00064 0.00048 169 3PX 0.00114 -0.00762 0.00063 0.00028 0.00507 170 3PY -0.00743 0.01773 -0.01070 0.00518 -0.00266 171 3PZ 0.00349 0.00259 0.00516 -0.00379 0.00583 172 4XX 0.00000 -0.00032 0.00127 0.00031 -0.00042 173 4YY -0.00007 -0.00045 -0.00038 -0.00073 -0.00033 174 4ZZ 0.00013 0.00046 -0.00138 0.00039 0.00083 175 4XY -0.00021 0.00042 -0.00093 0.00217 0.00034 176 4XZ -0.00131 0.00068 0.00022 -0.00022 -0.00114 177 4YZ -0.00052 -0.00111 -0.00054 0.00106 -0.00031 178 18 H 1S -0.00228 0.00511 -0.00298 0.00877 0.00704 179 2S -0.00252 0.01354 -0.00933 0.01371 0.00571 180 19 H 1S -0.00228 -0.00511 -0.00298 0.00877 0.00704 181 2S -0.00252 -0.01354 -0.00933 0.01371 0.00571 182 20 H 1S 0.00036 0.00094 -0.00011 0.00082 -0.00106 183 2S -0.00188 0.00002 -0.00018 0.00145 -0.00127 184 21 H 1S 0.00036 -0.00094 -0.00011 0.00082 -0.00106 185 2S -0.00188 -0.00002 -0.00018 0.00144 -0.00127 186 22 O 1S -0.00003 -0.00051 -0.00004 0.00118 -0.00101 187 2S -0.00184 0.00279 -0.00176 -0.00353 0.00106 188 2PX -0.00180 0.00145 -0.00792 0.01872 0.00821 189 2PY 0.00218 -0.00247 -0.00139 0.01077 0.00831 190 2PZ -0.00294 -0.01135 -0.00490 0.00590 0.00270 191 3S 0.00829 -0.00618 0.00942 -0.00825 0.00730 192 3PX -0.00141 0.00211 -0.00602 0.01378 0.00468 193 3PY -0.00182 -0.00067 -0.00378 0.00772 0.00331 194 3PZ -0.00273 -0.00949 -0.00448 0.00549 0.00083 195 4XX -0.00064 0.00015 -0.00049 0.00056 -0.00027 196 4YY -0.00051 0.00088 -0.00043 -0.00009 -0.00072 197 4ZZ -0.00064 0.00041 -0.00087 0.00056 -0.00021 198 4XY -0.00030 0.00008 0.00000 -0.00060 -0.00080 199 4XZ -0.00008 -0.00011 0.00003 -0.00011 -0.00001 200 4YZ -0.00027 0.00049 0.00006 0.00006 -0.00046 201 23 O 1S -0.00003 0.00051 -0.00004 0.00118 -0.00101 202 2S -0.00184 -0.00279 -0.00176 -0.00353 0.00106 203 2PX -0.00180 -0.00145 -0.00792 0.01872 0.00821 204 2PY -0.00218 -0.00247 0.00139 -0.01077 -0.00831 205 2PZ -0.00294 0.01135 -0.00490 0.00591 0.00270 206 3S 0.00829 0.00618 0.00942 -0.00825 0.00730 207 3PX -0.00141 -0.00211 -0.00602 0.01378 0.00468 208 3PY 0.00182 -0.00067 0.00378 -0.00772 -0.00331 209 3PZ -0.00273 0.00949 -0.00448 0.00549 0.00083 210 4XX -0.00064 -0.00015 -0.00049 0.00056 -0.00027 211 4YY -0.00051 -0.00088 -0.00043 -0.00009 -0.00072 212 4ZZ -0.00064 -0.00041 -0.00087 0.00056 -0.00021 213 4XY 0.00030 0.00008 0.00000 0.00060 0.00080 214 4XZ -0.00008 0.00011 0.00003 -0.00011 -0.00001 215 4YZ 0.00027 0.00049 -0.00006 -0.00006 0.00046 76 77 78 79 80 76 3PY 0.08615 77 3PZ 0.00000 0.09298 78 4XX 0.00000 0.00517 0.00136 79 4YY 0.00000 -0.00531 -0.00067 0.00136 80 4ZZ 0.00000 0.00316 -0.00003 -0.00014 0.00077 81 4XY 0.00344 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00583 -0.00038 -0.00011 0.00059 83 4YZ -0.00652 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.03388 0.01309 -0.00885 -0.00479 85 2S 0.00000 0.01462 0.01118 -0.00594 -0.00438 86 11 H 1S 0.00000 0.09508 0.00197 -0.00783 0.00673 87 2S 0.00000 0.07279 0.00105 -0.00561 0.00638 88 12 C 1S -0.00112 -0.00300 -0.00038 0.00016 -0.00054 89 2S -0.00344 0.00400 0.00042 -0.00069 0.00051 90 2PX 0.00945 -0.01009 -0.00076 -0.00211 0.00273 91 2PY -0.00223 -0.00988 0.00002 -0.00003 0.00116 92 2PZ -0.01222 -0.00550 -0.00085 -0.00291 0.00379 93 3S 0.01403 -0.00078 0.00093 -0.00145 0.00101 94 3PX -0.00430 -0.00127 -0.00016 -0.00193 0.00224 95 3PY -0.00883 -0.00305 0.00040 -0.00049 0.00067 96 3PZ 0.00174 -0.00671 -0.00039 -0.00207 0.00243 97 4XX -0.00066 0.00104 -0.00007 0.00004 0.00010 98 4YY -0.00022 0.00046 0.00004 -0.00001 -0.00003 99 4ZZ 0.00085 -0.00175 -0.00001 0.00007 -0.00009 100 4XY 0.00042 0.00072 0.00003 0.00012 -0.00012 101 4XZ 0.00012 -0.00041 -0.00013 0.00007 0.00000 102 4YZ -0.00117 0.00074 -0.00001 0.00011 -0.00008 103 13 C 1S 0.00112 -0.00300 -0.00038 0.00016 -0.00054 104 2S 0.00344 0.00400 0.00042 -0.00069 0.00051 105 2PX -0.00945 -0.01009 -0.00076 -0.00211 0.00273 106 2PY -0.00223 0.00988 -0.00002 0.00003 -0.00116 107 2PZ 0.01222 -0.00550 -0.00085 -0.00291 0.00379 108 3S -0.01403 -0.00078 0.00093 -0.00145 0.00101 109 3PX 0.00430 -0.00128 -0.00016 -0.00193 0.00224 110 3PY -0.00883 0.00305 -0.00040 0.00049 -0.00067 111 3PZ -0.00174 -0.00671 -0.00039 -0.00207 0.00243 112 4XX 0.00066 0.00104 -0.00007 0.00004 0.00010 113 4YY 0.00022 0.00046 0.00004 -0.00001 -0.00003 114 4ZZ -0.00085 -0.00175 -0.00001 0.00007 -0.00009 115 4XY 0.00042 -0.00072 -0.00003 -0.00012 0.00012 116 4XZ -0.00012 -0.00041 -0.00013 0.00007 0.00000 117 4YZ -0.00117 -0.00074 0.00001 -0.00011 0.00008 118 14 C 1S -0.00279 -0.00282 -0.00009 -0.00002 -0.00012 119 2S 0.00539 0.00234 0.00012 -0.00011 0.00040 120 2PX 0.01124 -0.00311 0.00047 -0.00074 0.00064 121 2PY -0.00088 0.00145 0.00004 0.00017 0.00030 122 2PZ -0.00688 -0.00593 0.00001 -0.00029 0.00018 123 3S 0.01230 0.00647 -0.00001 0.00020 0.00013 124 3PX 0.00484 -0.00121 0.00011 -0.00017 -0.00002 125 3PY 0.00935 0.00899 0.00025 -0.00027 0.00037 126 3PZ -0.00268 -0.00233 0.00044 -0.00025 -0.00012 127 4XX 0.00013 0.00010 -0.00003 -0.00011 0.00017 128 4YY 0.00033 0.00036 0.00000 0.00002 -0.00005 129 4ZZ -0.00067 -0.00104 -0.00001 0.00010 -0.00010 130 4XY 0.00123 -0.00082 0.00000 -0.00008 0.00010 131 4XZ -0.00008 -0.00007 0.00001 -0.00004 0.00001 132 4YZ -0.00091 -0.00184 -0.00005 -0.00006 0.00008 133 15 C 1S 0.00188 -0.00148 0.00017 0.00008 0.00019 134 2S -0.00415 0.00014 -0.00047 0.00027 0.00009 135 2PX -0.00623 -0.01985 -0.00052 0.00110 -0.00040 136 2PY 0.00320 0.00084 -0.00002 0.00005 0.00027 137 2PZ 0.00421 -0.02495 -0.00070 0.00089 -0.00055 138 3S -0.02265 -0.00448 -0.00036 0.00017 -0.00021 139 3PX -0.00735 -0.01471 -0.00043 0.00075 -0.00036 140 3PY -0.00594 0.00041 0.00008 0.00003 0.00003 141 3PZ 0.00321 -0.01547 -0.00051 0.00066 -0.00030 142 4XX 0.00017 -0.00042 0.00003 -0.00005 0.00001 143 4YY 0.00021 0.00000 -0.00004 0.00002 0.00002 144 4ZZ 0.00020 0.00033 -0.00001 0.00003 -0.00002 145 4XY 0.00042 -0.00083 -0.00002 0.00003 -0.00003 146 4XZ -0.00004 -0.00020 0.00006 -0.00004 -0.00002 147 4YZ -0.00031 -0.00109 -0.00003 0.00004 -0.00001 148 16 C 1S -0.00188 -0.00148 0.00017 0.00008 0.00019 149 2S 0.00415 0.00014 -0.00047 0.00027 0.00009 150 2PX 0.00623 -0.01985 -0.00052 0.00110 -0.00040 151 2PY 0.00320 -0.00084 0.00002 -0.00005 -0.00027 152 2PZ -0.00421 -0.02495 -0.00070 0.00089 -0.00055 153 3S 0.02265 -0.00448 -0.00036 0.00017 -0.00021 154 3PX 0.00735 -0.01471 -0.00043 0.00075 -0.00036 155 3PY -0.00594 -0.00041 -0.00008 -0.00003 -0.00003 156 3PZ -0.00321 -0.01547 -0.00051 0.00066 -0.00030 157 4XX -0.00017 -0.00042 0.00003 -0.00005 0.00001 158 4YY -0.00021 0.00000 -0.00004 0.00002 0.00002 159 4ZZ -0.00020 0.00033 -0.00001 0.00003 -0.00002 160 4XY 0.00042 0.00083 0.00002 -0.00003 0.00003 161 4XZ 0.00004 -0.00020 0.00006 -0.00004 -0.00002 162 4YZ -0.00031 0.00109 0.00003 -0.00004 0.00001 163 17 C 1S 0.00279 -0.00282 -0.00009 -0.00002 -0.00012 164 2S -0.00539 0.00234 0.00012 -0.00011 0.00040 165 2PX -0.01124 -0.00311 0.00047 -0.00074 0.00064 166 2PY -0.00088 -0.00145 -0.00004 -0.00017 -0.00030 167 2PZ 0.00688 -0.00593 0.00001 -0.00029 0.00018 168 3S -0.01230 0.00647 -0.00001 0.00020 0.00013 169 3PX -0.00484 -0.00121 0.00011 -0.00017 -0.00002 170 3PY 0.00935 -0.00899 -0.00025 0.00027 -0.00037 171 3PZ 0.00268 -0.00233 0.00044 -0.00025 -0.00012 172 4XX -0.00013 0.00010 -0.00003 -0.00011 0.00017 173 4YY -0.00033 0.00036 0.00000 0.00002 -0.00005 174 4ZZ 0.00067 -0.00104 -0.00001 0.00010 -0.00010 175 4XY 0.00123 0.00082 0.00000 0.00008 -0.00010 176 4XZ 0.00008 -0.00007 0.00001 -0.00004 0.00001 177 4YZ -0.00091 0.00184 0.00005 0.00006 -0.00008 178 18 H 1S 0.00947 -0.00308 0.00042 0.00038 -0.00044 179 2S 0.01513 -0.00550 -0.00005 0.00050 -0.00044 180 19 H 1S -0.00947 -0.00308 0.00042 0.00038 -0.00044 181 2S -0.01513 -0.00550 -0.00005 0.00050 -0.00044 182 20 H 1S 0.00244 0.00050 -0.00015 -0.00008 -0.00008 183 2S 0.00409 0.00094 0.00002 -0.00005 -0.00006 184 21 H 1S -0.00244 0.00050 -0.00015 -0.00008 -0.00008 185 2S -0.00409 0.00094 0.00002 -0.00005 -0.00006 186 22 O 1S -0.00026 -0.00068 -0.00006 -0.00001 -0.00003 187 2S 0.00048 0.00031 0.00010 0.00001 0.00000 188 2PX 0.00826 0.00732 0.00027 0.00035 -0.00120 189 2PY 0.00497 0.00016 0.00009 0.00020 0.00009 190 2PZ -0.00781 0.01423 0.00071 0.00033 -0.00055 191 3S -0.00281 0.00687 0.00035 -0.00029 0.00045 192 3PX 0.00694 0.00646 0.00015 0.00033 -0.00087 193 3PY 0.00319 -0.00087 0.00000 0.00023 -0.00008 194 3PZ -0.00659 0.01176 0.00045 0.00033 -0.00039 195 4XX 0.00019 -0.00031 -0.00001 0.00002 -0.00002 196 4YY 0.00003 -0.00030 -0.00001 -0.00001 -0.00002 197 4ZZ 0.00033 -0.00046 -0.00001 0.00003 -0.00004 198 4XY -0.00004 -0.00027 -0.00003 0.00001 0.00003 199 4XZ -0.00006 0.00016 0.00000 0.00001 -0.00001 200 4YZ 0.00021 -0.00051 -0.00003 -0.00001 0.00001 201 23 O 1S 0.00026 -0.00068 -0.00006 -0.00001 -0.00003 202 2S -0.00048 0.00031 0.00010 0.00001 0.00000 203 2PX -0.00826 0.00732 0.00027 0.00035 -0.00120 204 2PY 0.00497 -0.00016 -0.00009 -0.00020 -0.00009 205 2PZ 0.00781 0.01423 0.00071 0.00033 -0.00055 206 3S 0.00281 0.00687 0.00035 -0.00029 0.00045 207 3PX -0.00694 0.00646 0.00015 0.00033 -0.00087 208 3PY 0.00319 0.00087 0.00000 -0.00023 0.00008 209 3PZ 0.00659 0.01176 0.00045 0.00033 -0.00039 210 4XX -0.00019 -0.00031 -0.00001 0.00002 -0.00002 211 4YY -0.00003 -0.00030 -0.00001 -0.00001 -0.00002 212 4ZZ -0.00033 -0.00046 -0.00001 0.00003 -0.00004 213 4XY -0.00004 0.00027 0.00003 -0.00001 -0.00003 214 4XZ 0.00006 0.00016 0.00000 0.00001 -0.00001 215 4YZ 0.00021 0.00051 0.00003 0.00001 -0.00001 81 82 83 84 85 81 4XY 0.00076 82 4XZ 0.00000 0.00164 83 4YZ -0.00019 0.00000 0.00111 84 10 H 1S 0.00000 -0.00921 0.00000 0.21329 85 2S 0.00000 -0.00874 0.00000 0.15283 0.13978 86 11 H 1S 0.00000 0.01452 0.00000 -0.02248 -0.04184 87 2S 0.00000 0.01325 0.00000 -0.04153 -0.03934 88 12 C 1S 0.00015 -0.00088 0.00027 0.00274 0.00137 89 2S -0.00035 0.00179 0.00013 -0.00604 -0.00403 90 2PX -0.00275 0.00433 -0.00295 -0.01117 -0.00732 91 2PY 0.00001 -0.00033 0.00032 -0.00133 0.00679 92 2PZ -0.00375 0.00582 -0.00285 -0.01883 -0.02273 93 3S 0.00051 0.00285 -0.00250 -0.00997 -0.00351 94 3PX -0.00249 0.00382 -0.00177 -0.01046 -0.00733 95 3PY -0.00041 0.00058 0.00122 -0.00295 0.00176 96 3PZ -0.00297 0.00407 -0.00294 -0.01267 -0.01143 97 4XX -0.00009 -0.00007 -0.00005 -0.00019 -0.00092 98 4YY 0.00004 0.00006 0.00009 -0.00026 -0.00009 99 4ZZ -0.00006 -0.00016 -0.00007 0.00093 0.00136 100 4XY -0.00019 -0.00015 -0.00016 0.00063 0.00053 101 4XZ -0.00014 -0.00008 -0.00020 0.00017 -0.00085 102 4YZ -0.00027 -0.00009 -0.00017 0.00000 -0.00012 103 13 C 1S -0.00015 -0.00088 -0.00027 0.00274 0.00137 104 2S 0.00035 0.00179 -0.00013 -0.00604 -0.00403 105 2PX 0.00275 0.00433 0.00295 -0.01117 -0.00732 106 2PY 0.00001 0.00033 0.00032 0.00133 -0.00679 107 2PZ 0.00375 0.00582 0.00285 -0.01883 -0.02273 108 3S -0.00051 0.00285 0.00250 -0.00997 -0.00351 109 3PX 0.00249 0.00382 0.00177 -0.01046 -0.00733 110 3PY -0.00041 -0.00058 0.00122 0.00295 -0.00176 111 3PZ 0.00297 0.00407 0.00294 -0.01267 -0.01143 112 4XX 0.00009 -0.00007 0.00005 -0.00019 -0.00092 113 4YY -0.00004 0.00006 -0.00009 -0.00026 -0.00009 114 4ZZ 0.00006 -0.00016 0.00007 0.00093 0.00136 115 4XY -0.00019 0.00015 -0.00016 -0.00063 -0.00053 116 4XZ 0.00014 -0.00008 0.00020 0.00017 -0.00085 117 4YZ -0.00027 0.00009 -0.00017 0.00000 0.00012 118 14 C 1S -0.00010 -0.00034 0.00032 0.00141 0.00305 119 2S -0.00018 0.00056 -0.00067 -0.00555 -0.00548 120 2PX 0.00032 0.00092 -0.00041 -0.00414 0.00643 121 2PY -0.00014 0.00039 -0.00043 -0.00423 -0.00387 122 2PZ 0.00138 0.00129 0.00113 -0.00531 0.00516 123 3S 0.00055 0.00010 -0.00104 0.00026 -0.00408 124 3PX 0.00023 0.00019 -0.00029 0.00015 0.00324 125 3PY 0.00017 0.00045 -0.00082 -0.00282 -0.00435 126 3PZ 0.00061 0.00043 0.00038 -0.00113 0.00374 127 4XX 0.00017 0.00022 0.00013 -0.00072 -0.00169 128 4YY -0.00007 -0.00005 -0.00006 0.00011 -0.00015 129 4ZZ -0.00012 -0.00016 -0.00006 0.00042 0.00207 130 4XY 0.00011 0.00016 0.00008 -0.00026 0.00072 131 4XZ 0.00010 0.00002 0.00012 0.00059 -0.00003 132 4YZ 0.00018 0.00018 0.00020 -0.00023 0.00145 133 15 C 1S -0.00005 -0.00025 -0.00002 0.00098 0.00536 134 2S 0.00009 0.00064 0.00002 -0.00631 -0.00675 135 2PX 0.00034 0.00056 0.00023 -0.00688 0.02812 136 2PY -0.00010 0.00034 -0.00011 -0.00109 -0.00325 137 2PZ 0.00008 0.00014 0.00005 -0.00547 0.04011 138 3S -0.00018 0.00010 0.00128 0.00064 0.00090 139 3PX -0.00011 0.00006 0.00044 -0.00247 0.02049 140 3PY -0.00014 -0.00007 0.00043 0.00079 -0.00057 141 3PZ 0.00011 0.00020 -0.00011 -0.00440 0.02527 142 4XX 0.00002 0.00003 0.00000 0.00013 0.00076 143 4YY 0.00000 0.00006 0.00000 -0.00075 -0.00066 144 4ZZ -0.00004 -0.00006 -0.00004 -0.00005 -0.00041 145 4XY -0.00003 -0.00001 -0.00002 0.00005 0.00139 146 4XZ 0.00002 -0.00004 0.00003 0.00091 0.00102 147 4YZ 0.00001 0.00002 0.00001 -0.00021 0.00159 148 16 C 1S 0.00005 -0.00025 0.00002 0.00098 0.00536 149 2S -0.00009 0.00064 -0.00002 -0.00631 -0.00675 150 2PX -0.00034 0.00056 -0.00023 -0.00688 0.02812 151 2PY -0.00010 -0.00034 -0.00011 0.00109 0.00325 152 2PZ -0.00008 0.00014 -0.00005 -0.00547 0.04011 153 3S 0.00018 0.00010 -0.00128 0.00064 0.00090 154 3PX 0.00011 0.00006 -0.00044 -0.00247 0.02049 155 3PY -0.00014 0.00007 0.00043 -0.00079 0.00057 156 3PZ -0.00011 0.00020 0.00011 -0.00440 0.02527 157 4XX -0.00002 0.00003 0.00000 0.00013 0.00076 158 4YY 0.00000 0.00006 0.00000 -0.00075 -0.00066 159 4ZZ 0.00004 -0.00006 0.00004 -0.00005 -0.00041 160 4XY -0.00003 0.00001 -0.00002 -0.00005 -0.00139 161 4XZ -0.00002 -0.00004 -0.00003 0.00091 0.00102 162 4YZ 0.00001 -0.00002 0.00001 0.00021 -0.00159 163 17 C 1S 0.00010 -0.00034 -0.00032 0.00141 0.00305 164 2S 0.00018 0.00056 0.00067 -0.00555 -0.00548 165 2PX -0.00032 0.00092 0.00041 -0.00414 0.00643 166 2PY -0.00014 -0.00039 -0.00043 0.00423 0.00387 167 2PZ -0.00138 0.00129 -0.00113 -0.00531 0.00516 168 3S -0.00055 0.00010 0.00104 0.00026 -0.00408 169 3PX -0.00023 0.00019 0.00029 0.00015 0.00324 170 3PY 0.00017 -0.00045 -0.00082 0.00282 0.00435 171 3PZ -0.00061 0.00043 -0.00038 -0.00113 0.00374 172 4XX -0.00017 0.00022 -0.00013 -0.00072 -0.00169 173 4YY 0.00007 -0.00005 0.00006 0.00011 -0.00015 174 4ZZ 0.00012 -0.00016 0.00006 0.00042 0.00207 175 4XY 0.00011 -0.00016 0.00008 0.00026 -0.00072 176 4XZ -0.00010 0.00002 -0.00012 0.00059 -0.00003 177 4YZ 0.00018 -0.00018 0.00020 0.00023 -0.00145 178 18 H 1S 0.00122 -0.00082 0.00082 0.00340 0.00972 179 2S 0.00102 -0.00082 0.00042 0.00371 0.00837 180 19 H 1S -0.00122 -0.00082 -0.00082 0.00340 0.00972 181 2S -0.00102 -0.00082 -0.00042 0.00371 0.00837 182 20 H 1S -0.00013 -0.00010 -0.00009 -0.00051 -0.00080 183 2S -0.00030 -0.00027 -0.00015 0.00086 0.00062 184 21 H 1S 0.00013 -0.00010 0.00009 -0.00051 -0.00080 185 2S 0.00030 -0.00027 0.00015 0.00086 0.00062 186 22 O 1S -0.00007 -0.00002 0.00000 -0.00019 -0.00068 187 2S 0.00022 -0.00009 -0.00002 0.00137 0.00266 188 2PX 0.00145 -0.00167 0.00132 0.00427 -0.00053 189 2PY 0.00029 -0.00002 0.00023 -0.00130 0.00086 190 2PZ 0.00176 -0.00129 0.00200 0.00196 -0.00966 191 3S 0.00021 0.00052 0.00029 -0.00325 0.00000 192 3PX 0.00110 -0.00129 0.00089 0.00298 -0.00184 193 3PY 0.00019 -0.00021 0.00017 0.00069 0.00104 194 3PZ 0.00146 -0.00109 0.00162 0.00159 -0.00842 195 4XX -0.00003 -0.00002 -0.00002 0.00025 0.00005 196 4YY 0.00000 -0.00003 -0.00004 0.00029 -0.00001 197 4ZZ 0.00003 -0.00006 0.00001 0.00038 0.00039 198 4XY -0.00006 0.00004 -0.00006 0.00000 -0.00010 199 4XZ -0.00001 0.00000 0.00000 0.00003 -0.00008 200 4YZ -0.00003 0.00002 -0.00005 0.00014 0.00036 201 23 O 1S 0.00007 -0.00002 0.00000 -0.00019 -0.00068 202 2S -0.00022 -0.00009 0.00002 0.00137 0.00266 203 2PX -0.00145 -0.00167 -0.00132 0.00427 -0.00053 204 2PY 0.00029 0.00002 0.00023 0.00130 -0.00086 205 2PZ -0.00176 -0.00129 -0.00200 0.00196 -0.00966 206 3S -0.00021 0.00052 -0.00029 -0.00325 0.00000 207 3PX -0.00110 -0.00129 -0.00089 0.00298 -0.00184 208 3PY 0.00019 0.00021 0.00017 -0.00069 -0.00104 209 3PZ -0.00146 -0.00109 -0.00162 0.00159 -0.00842 210 4XX 0.00003 -0.00002 0.00002 0.00025 0.00005 211 4YY 0.00000 -0.00003 0.00004 0.00029 -0.00001 212 4ZZ -0.00003 -0.00006 -0.00001 0.00038 0.00039 213 4XY -0.00006 -0.00004 -0.00006 0.00000 0.00010 214 4XZ 0.00001 0.00000 0.00000 0.00003 -0.00008 215 4YZ -0.00003 -0.00002 -0.00005 -0.00014 -0.00036 86 87 88 89 90 86 11 H 1S 0.20917 87 2S 0.15546 0.13898 88 12 C 1S -0.00434 -0.00624 2.05570 89 2S 0.00904 0.01437 -0.05924 0.31847 90 2PX 0.02163 0.05338 0.00145 -0.00603 0.36791 91 2PY 0.00140 0.00332 -0.00313 -0.00004 -0.00064 92 2PZ 0.02960 0.06454 0.00509 -0.01187 -0.04034 93 3S 0.01795 0.03231 -0.23487 0.34193 -0.02016 94 3PX 0.02352 0.04530 0.00487 0.00053 0.20172 95 3PY 0.00640 0.01117 0.00428 0.00180 0.01374 96 3PZ 0.02236 0.04695 -0.01642 0.00749 0.03534 97 4XX -0.00009 -0.00086 -0.01342 -0.00942 -0.00694 98 4YY 0.00047 0.00056 -0.01639 -0.00198 0.00184 99 4ZZ -0.00158 -0.00141 -0.01493 -0.00559 0.00818 100 4XY -0.00088 -0.00200 0.00011 -0.00025 0.00529 101 4XZ -0.00122 -0.00104 0.00417 -0.00847 0.00180 102 4YZ -0.00040 -0.00148 0.00260 -0.00512 -0.01088 103 13 C 1S -0.00434 -0.00624 0.01663 -0.03553 -0.00953 104 2S 0.00904 0.01437 -0.03553 0.06349 0.01871 105 2PX 0.02163 0.05338 -0.00953 0.01871 0.12646 106 2PY -0.00140 -0.00332 -0.07730 0.15687 -0.01472 107 2PZ 0.02960 0.06454 -0.00965 0.01634 0.09033 108 3S 0.01794 0.03231 0.03073 -0.01015 0.05252 109 3PX 0.02352 0.04530 -0.01309 0.01711 0.07923 110 3PY -0.00640 -0.01117 0.00315 0.01427 -0.00252 111 3PZ 0.02236 0.04695 0.00212 0.00543 0.06691 112 4XX -0.00009 -0.00086 0.00280 -0.00612 -0.00339 113 4YY 0.00047 0.00056 -0.00643 0.01084 0.00022 114 4ZZ -0.00158 -0.00141 0.00232 -0.00554 0.00072 115 4XY 0.00088 0.00200 0.00037 -0.00087 0.01257 116 4XZ -0.00122 -0.00104 -0.00067 0.00140 -0.00142 117 4YZ 0.00040 0.00148 0.00047 -0.00069 0.00004 118 14 C 1S -0.00137 -0.00018 -0.00341 0.00781 -0.00169 119 2S 0.00419 0.00267 0.00908 -0.01886 0.00917 120 2PX 0.00748 0.00926 0.00899 -0.02203 0.01367 121 2PY 0.00264 -0.00019 0.00946 -0.02431 0.00258 122 2PZ 0.00531 0.01089 -0.00730 0.01538 0.01198 123 3S 0.00064 -0.00374 -0.00324 -0.01172 0.00910 124 3PX 0.00069 0.00039 0.00024 -0.00576 0.02119 125 3PY 0.00670 0.00330 -0.01099 0.01205 -0.01274 126 3PZ 0.00259 0.00431 -0.00338 0.00789 -0.00667 127 4XX 0.00113 0.00259 0.00038 -0.00114 0.00573 128 4YY -0.00039 -0.00076 -0.00186 0.00381 -0.00199 129 4ZZ -0.00092 -0.00160 0.00066 -0.00133 -0.00240 130 4XY 0.00080 0.00217 -0.00031 0.00072 0.00100 131 4XZ -0.00013 0.00052 -0.00053 0.00124 0.00128 132 4YZ 0.00076 0.00263 -0.00045 0.00067 0.00593 133 15 C 1S -0.00031 -0.00015 -0.00069 0.00077 -0.00555 134 2S 0.00232 0.00254 0.00021 -0.00157 0.01296 135 2PX 0.00056 0.00190 0.00316 -0.00830 -0.00042 136 2PY 0.00129 0.00201 0.00158 -0.00249 0.00595 137 2PZ 0.00006 0.00243 -0.00066 0.00269 -0.03301 138 3S -0.00223 -0.00044 0.00733 0.00253 0.03114 139 3PX -0.00174 -0.00079 0.00679 -0.00921 -0.00477 140 3PY -0.00051 -0.00088 0.00348 0.00163 -0.00503 141 3PZ 0.00094 0.00184 -0.00313 0.00379 -0.02446 142 4XX 0.00013 0.00048 -0.00011 -0.00006 0.00065 143 4YY 0.00029 0.00042 0.00010 -0.00001 0.00081 144 4ZZ -0.00029 -0.00061 -0.00011 -0.00011 -0.00124 145 4XY -0.00014 -0.00004 0.00050 -0.00116 0.00098 146 4XZ -0.00023 0.00003 -0.00023 0.00038 0.00080 147 4YZ 0.00002 0.00026 -0.00034 0.00083 -0.00133 148 16 C 1S -0.00031 -0.00015 -0.00564 0.01174 -0.01769 149 2S 0.00232 0.00254 0.01231 -0.02527 0.04103 150 2PX 0.00056 0.00190 0.01708 -0.03726 0.03871 151 2PY -0.00129 -0.00201 0.00730 -0.01625 0.02376 152 2PZ 0.00006 0.00243 -0.01143 0.02602 -0.05046 153 3S -0.00224 -0.00044 0.01894 -0.05252 0.10666 154 3PX -0.00174 -0.00079 0.00570 -0.01792 0.02462 155 3PY 0.00051 0.00088 0.01124 -0.01030 0.03863 156 3PZ 0.00094 0.00184 -0.00317 0.01097 -0.03511 157 4XX 0.00013 0.00048 -0.00107 0.00200 -0.00238 158 4YY 0.00029 0.00042 0.00030 -0.00038 0.00286 159 4ZZ -0.00029 -0.00061 -0.00042 0.00072 -0.00402 160 4XY 0.00014 0.00004 0.00061 -0.00121 0.00264 161 4XZ -0.00023 0.00003 0.00054 -0.00098 0.00430 162 4YZ -0.00002 -0.00026 -0.00064 0.00115 -0.00031 163 17 C 1S -0.00137 -0.00018 0.01410 -0.02937 0.05421 164 2S 0.00419 0.00267 -0.02990 0.05355 -0.11390 165 2PX 0.00748 0.00926 -0.05447 0.10875 -0.12922 166 2PY -0.00264 0.00019 0.03296 -0.05774 0.12235 167 2PZ 0.00531 0.01089 0.03101 -0.06074 0.15352 168 3S 0.00064 -0.00374 0.01361 0.00612 -0.10632 169 3PX 0.00069 0.00039 0.00831 0.00204 0.00043 170 3PY -0.00670 -0.00330 -0.01167 -0.00243 0.04375 171 3PZ 0.00259 0.00431 -0.00553 0.00370 0.03084 172 4XX 0.00113 0.00259 -0.00335 0.00494 0.00727 173 4YY -0.00039 -0.00076 0.00102 -0.00259 0.00115 174 4ZZ -0.00092 -0.00160 -0.00038 -0.00066 0.00048 175 4XY -0.00080 -0.00217 0.00616 -0.01145 0.00962 176 4XZ -0.00013 0.00052 0.00314 -0.00548 0.00265 177 4YZ -0.00076 -0.00263 -0.00441 0.00839 -0.01350 178 18 H 1S -0.00370 -0.00752 -0.06124 0.11770 0.12226 179 2S -0.00492 -0.00937 -0.01187 0.02691 0.10879 180 19 H 1S -0.00370 -0.00752 0.01197 -0.02568 -0.00897 181 2S -0.00492 -0.00937 0.01510 -0.02813 -0.02641 182 20 H 1S -0.00003 -0.00053 0.00094 -0.00128 -0.00183 183 2S -0.00088 -0.00214 0.00686 -0.01143 0.00042 184 21 H 1S -0.00003 -0.00053 -0.00676 0.01375 -0.02259 185 2S -0.00088 -0.00214 -0.01486 0.02719 -0.05707 186 22 O 1S -0.00005 0.00025 -0.00282 0.00538 -0.00269 187 2S -0.00116 -0.00140 0.00573 -0.01244 0.00991 188 2PX -0.00832 -0.02401 0.02875 -0.04842 0.03561 189 2PY 0.00010 -0.00309 -0.01286 0.02094 -0.03200 190 2PZ -0.00604 -0.02168 -0.01870 0.03915 -0.05631 191 3S 0.00647 0.00422 0.01054 -0.00577 -0.00905 192 3PX -0.00630 -0.01824 0.02226 -0.04014 0.02836 193 3PY -0.00217 -0.00406 -0.00754 0.00936 -0.01419 194 3PZ -0.00499 -0.01754 -0.01415 0.03116 -0.05524 195 4XX -0.00037 -0.00024 -0.00073 0.00007 0.00144 196 4YY -0.00028 -0.00007 -0.00002 -0.00077 0.00027 197 4ZZ -0.00060 -0.00069 -0.00080 -0.00001 0.00054 198 4XY 0.00008 0.00071 0.00012 -0.00047 0.00192 199 4XZ -0.00005 -0.00013 0.00003 -0.00022 -0.00008 200 4YZ 0.00007 0.00062 -0.00014 -0.00014 -0.00204 201 23 O 1S -0.00005 0.00025 0.00112 -0.00269 0.00134 202 2S -0.00116 -0.00140 -0.00244 0.00561 -0.00155 203 2PX -0.00832 -0.02401 -0.00875 0.01347 -0.01938 204 2PY -0.00010 0.00309 -0.00730 0.01951 0.00014 205 2PZ -0.00604 -0.02168 0.00893 -0.01485 -0.04296 206 3S 0.00647 0.00422 -0.00776 0.01514 -0.01519 207 3PX -0.00630 -0.01824 -0.00629 0.01109 -0.02014 208 3PY 0.00217 0.00406 -0.00507 0.01375 -0.00266 209 3PZ -0.00499 -0.01754 0.00720 -0.01269 -0.03288 210 4XX -0.00037 -0.00024 0.00016 -0.00068 0.00101 211 4YY -0.00028 -0.00007 0.00018 -0.00001 0.00067 212 4ZZ -0.00060 -0.00069 0.00014 -0.00062 0.00012 213 4XY -0.00008 -0.00071 0.00005 -0.00014 -0.00073 214 4XZ -0.00005 -0.00013 -0.00019 0.00035 -0.00026 215 4YZ -0.00007 -0.00062 0.00012 -0.00013 -0.00159 91 92 93 94 95 91 2PY 0.42070 92 2PZ -0.01215 0.37981 93 3S 0.08049 0.05803 0.55077 94 3PX -0.00184 0.02939 -0.01593 0.12665 95 3PY 0.12904 0.01196 -0.01135 0.01127 0.06783 96 3PZ 0.01924 0.20401 0.07121 0.04359 0.01222 97 4XX 0.00696 0.00255 -0.00827 -0.00319 0.00109 98 4YY -0.01326 -0.00063 -0.00616 0.00122 -0.00212 99 4ZZ 0.01015 -0.00506 -0.00366 0.00361 0.00275 100 4XY -0.00320 -0.01098 -0.00171 0.00106 -0.00161 101 4XZ -0.00834 0.00361 -0.00907 0.00097 -0.00240 102 4YZ -0.00333 0.00928 -0.00632 -0.00448 -0.00137 103 13 C 1S 0.07730 -0.00965 0.03073 -0.01309 -0.00315 104 2S -0.15687 0.01634 -0.01015 0.01711 -0.01427 105 2PX 0.01471 0.09033 0.05252 0.07923 0.00252 106 2PY -0.31983 -0.01355 0.13512 -0.01034 -0.11218 107 2PZ 0.01355 0.09992 0.04785 0.06045 0.03019 108 3S -0.13512 0.04785 -0.17859 0.04615 0.04964 109 3PX 0.01034 0.06045 0.04615 0.04911 0.00377 110 3PY -0.11218 -0.03019 -0.04964 -0.00377 -0.02297 111 3PZ 0.02380 0.06418 0.01465 0.04639 0.02953 112 4XX 0.00892 -0.00297 -0.00513 -0.00246 0.00212 113 4YY -0.00633 -0.00017 0.01281 0.00044 -0.00328 114 4ZZ 0.00970 -0.00020 -0.00403 0.00003 0.00266 115 4XY 0.00226 0.00001 -0.00039 0.00739 0.00127 116 4XZ -0.00213 -0.00133 0.00254 -0.00123 -0.00166 117 4YZ -0.00074 0.01332 0.00015 0.00202 0.00061 118 14 C 1S -0.01402 0.00455 -0.00945 0.00354 -0.00138 119 2S 0.03691 -0.00798 -0.00356 0.00183 0.01355 120 2PX 0.03561 -0.01233 -0.02400 0.01022 0.01499 121 2PY 0.03579 -0.01033 -0.06830 -0.00004 0.04309 122 2PZ -0.00715 0.01886 0.03572 -0.00489 -0.00466 123 3S 0.05738 -0.03944 0.01399 -0.00799 0.01650 124 3PX 0.00859 -0.01715 -0.00532 0.01027 -0.00524 125 3PY -0.02033 -0.00726 0.02353 -0.01113 -0.01084 126 3PZ -0.00114 0.01116 0.02168 -0.00910 0.00255 127 4XX 0.00500 0.00420 -0.00318 0.00370 0.00466 128 4YY -0.00970 -0.00013 0.00455 -0.00080 -0.00470 129 4ZZ 0.00135 -0.00262 -0.00335 -0.00154 0.00024 130 4XY -0.00199 0.00157 -0.00693 0.00067 0.00549 131 4XZ -0.00118 0.00100 0.00256 0.00083 -0.00067 132 4YZ 0.00267 0.00411 0.00723 0.00452 -0.00238 133 15 C 1S -0.00244 -0.00019 0.00004 -0.00538 -0.00049 134 2S 0.00579 0.00136 0.01046 0.00990 -0.00257 135 2PX 0.00711 -0.01691 -0.00512 -0.00748 -0.00906 136 2PY 0.00155 -0.00728 -0.01116 0.00686 0.01068 137 2PZ -0.01354 -0.02480 -0.00756 -0.01992 -0.00706 138 3S 0.00701 0.00479 0.06266 0.02598 -0.03090 139 3PX 0.00347 -0.00891 -0.01462 -0.00406 -0.00473 140 3PY 0.00786 -0.00252 0.02824 -0.00094 -0.00213 141 3PZ -0.01004 -0.01980 0.00444 -0.01660 -0.00814 142 4XX 0.00096 0.00097 0.00024 0.00032 0.00058 143 4YY -0.00079 -0.00006 -0.00033 0.00053 -0.00034 144 4ZZ -0.00014 -0.00087 -0.00068 -0.00070 -0.00004 145 4XY -0.00208 -0.00181 -0.00505 0.00147 -0.00126 146 4XZ -0.00036 0.00022 0.00070 0.00038 -0.00025 147 4YZ 0.00110 0.00089 0.00271 -0.00134 0.00079 148 16 C 1S 0.00621 0.01187 0.02646 -0.01054 0.00462 149 2S -0.01337 -0.02701 -0.06299 0.02630 -0.00455 150 2PX -0.02442 -0.04430 -0.11911 0.03617 -0.03164 151 2PY -0.01525 -0.01907 -0.03874 0.00959 -0.01208 152 2PZ 0.01122 0.01410 0.06942 -0.04213 0.01553 153 3S -0.03209 -0.07043 -0.15942 0.05097 0.00617 154 3PX -0.00840 -0.03456 -0.04711 0.01254 -0.01607 155 3PY -0.01389 -0.02527 -0.00139 0.02176 -0.01805 156 3PZ -0.00050 0.00556 0.01647 -0.02133 0.00627 157 4XX 0.00215 0.00510 0.00300 -0.00084 0.00079 158 4YY -0.00048 -0.00135 0.00011 0.00158 0.00040 159 4ZZ 0.00043 -0.00092 0.00111 -0.00240 -0.00015 160 4XY -0.00036 -0.00049 -0.00500 0.00289 -0.00040 161 4XZ -0.00101 -0.00141 -0.00070 0.00204 0.00003 162 4YZ 0.00090 0.00230 0.00376 -0.00100 0.00114 163 17 C 1S -0.03584 -0.03570 0.02047 0.00033 -0.01644 164 2S 0.08053 0.07604 -0.00257 -0.01740 0.02632 165 2PX 0.12702 0.15561 0.15402 -0.06002 0.06616 166 2PY -0.06354 -0.06849 -0.11317 0.06878 0.01882 167 2PZ -0.06393 -0.00963 -0.09140 0.08586 -0.03001 168 3S 0.06223 0.06649 -0.04889 -0.02053 0.01591 169 3PX 0.01552 0.02880 -0.01466 0.00581 0.01071 170 3PY 0.02768 -0.02110 0.03226 0.00951 0.00583 171 3PZ -0.00489 0.02275 0.00647 0.01867 0.00173 172 4XX 0.00795 0.00620 0.01427 0.00335 0.00142 173 4YY -0.01302 -0.00256 -0.00718 0.00023 -0.00239 174 4ZZ 0.00147 -0.00968 0.00110 -0.00265 -0.00105 175 4XY -0.00448 -0.01227 -0.02904 0.00486 0.00057 176 4XZ -0.00533 0.00498 -0.00489 0.00182 -0.00105 177 4YZ 0.00320 -0.00092 0.01823 -0.00918 -0.00088 178 18 H 1S 0.13332 -0.19798 0.11828 0.04306 0.03798 179 2S 0.09887 -0.16590 0.00422 0.03775 0.02833 180 19 H 1S 0.03919 0.01495 -0.04656 -0.00112 0.01778 181 2S 0.06258 0.02568 -0.02069 -0.01049 0.01262 182 20 H 1S -0.00861 -0.00421 -0.00950 0.00310 -0.00480 183 2S -0.00560 -0.01314 -0.04183 0.00360 0.00421 184 21 H 1S 0.00859 0.01593 0.04551 -0.02318 0.01279 185 2S 0.02511 0.03574 0.08774 -0.04329 0.00934 186 22 O 1S 0.01047 0.00110 0.00337 0.00508 0.00052 187 2S -0.02305 -0.00482 -0.02107 -0.00521 0.00472 188 2PX -0.06770 -0.06075 -0.28919 0.02728 0.03414 189 2PY 0.03673 0.01487 0.10735 -0.05634 -0.01946 190 2PZ 0.03709 -0.01523 0.15040 -0.04740 -0.01668 191 3S -0.06021 0.00908 -0.00502 -0.02309 -0.01138 192 3PX -0.05880 -0.05468 -0.21149 0.01927 0.01808 193 3PY 0.03124 0.00269 0.05571 -0.02997 -0.00654 194 3PZ 0.03008 -0.01596 0.11143 -0.04331 -0.01124 195 4XX 0.00219 0.00019 0.00121 0.00030 0.00052 196 4YY 0.00142 -0.00038 -0.00603 0.00321 0.00192 197 4ZZ 0.00128 -0.00166 0.00257 -0.00062 -0.00052 198 4XY -0.00084 -0.00157 0.00854 0.00023 -0.00340 199 4XZ -0.00114 0.00063 -0.00084 0.00001 -0.00016 200 4YZ 0.00025 0.00108 -0.00306 -0.00070 0.00128 201 23 O 1S 0.00581 -0.00050 -0.00207 -0.00179 0.00302 202 2S -0.01227 0.00035 0.01151 0.00376 -0.00952 203 2PX -0.04402 -0.01401 0.11916 -0.00849 -0.10152 204 2PY -0.03258 0.00567 0.06339 -0.00109 -0.03501 205 2PZ 0.00419 -0.02966 -0.07724 -0.04437 0.04145 206 3S -0.04220 0.00505 0.01117 -0.00309 -0.01524 207 3PX -0.03629 -0.00810 0.08488 -0.00974 -0.07286 208 3PY -0.02808 0.00590 0.03586 -0.00193 -0.02165 209 3PZ 0.00289 -0.02552 -0.06077 -0.03206 0.02914 210 4XX 0.00181 -0.00015 -0.00076 0.00061 0.00064 211 4YY 0.00068 0.00003 0.00265 0.00025 -0.00100 212 4ZZ 0.00110 -0.00069 -0.00197 -0.00010 0.00102 213 4XY -0.00054 -0.00089 0.00452 -0.00031 -0.00377 214 4XZ -0.00081 -0.00026 0.00057 -0.00025 -0.00044 215 4YZ -0.00025 -0.00090 -0.00187 -0.00209 0.00124 96 97 98 99 100 96 3PZ 0.13016 97 4XX 0.00064 0.00095 98 4YY -0.00146 -0.00022 0.00091 99 4ZZ -0.00119 0.00022 -0.00017 0.00083 100 4XY -0.00483 -0.00015 0.00001 0.00024 0.00099 101 4XZ 0.00178 0.00012 0.00031 -0.00012 0.00009 102 4YZ 0.00268 0.00037 0.00011 -0.00025 -0.00037 103 13 C 1S 0.00212 0.00280 -0.00643 0.00232 -0.00037 104 2S 0.00543 -0.00612 0.01084 -0.00554 0.00087 105 2PX 0.06691 -0.00339 0.00022 0.00072 -0.01257 106 2PY -0.02380 -0.00892 0.00633 -0.00970 0.00226 107 2PZ 0.06418 -0.00297 -0.00017 -0.00020 -0.00001 108 3S 0.01465 -0.00513 0.01281 -0.00403 0.00039 109 3PX 0.04639 -0.00246 0.00044 0.00003 -0.00739 110 3PY -0.02953 -0.00212 0.00328 -0.00266 0.00127 111 3PZ 0.04105 -0.00215 0.00015 0.00024 -0.00220 112 4XX -0.00215 0.00044 -0.00035 0.00025 0.00015 113 4YY 0.00015 -0.00035 0.00004 -0.00026 0.00000 114 4ZZ 0.00024 0.00025 -0.00026 0.00037 -0.00034 115 4XY 0.00220 -0.00015 0.00000 0.00034 0.00044 116 4XZ -0.00154 -0.00002 -0.00016 -0.00006 -0.00007 117 4YZ 0.00763 0.00007 0.00009 -0.00015 -0.00058 118 14 C 1S -0.00339 -0.00021 -0.00053 -0.00047 -0.00161 119 2S 0.00363 0.00064 0.00092 0.00129 0.00339 120 2PX -0.00471 0.00012 0.00177 0.00130 0.00429 121 2PY -0.00458 0.00020 0.00147 0.00002 0.00438 122 2PZ 0.01409 -0.00116 -0.00111 -0.00051 -0.00538 123 3S -0.01070 0.00075 -0.00040 0.00183 0.00376 124 3PX -0.00663 -0.00011 0.00006 0.00086 0.00043 125 3PY -0.00238 -0.00035 0.00027 -0.00099 0.00174 126 3PZ 0.00672 -0.00059 -0.00002 -0.00041 -0.00129 127 4XX 0.00288 -0.00005 0.00006 0.00008 -0.00027 128 4YY -0.00098 -0.00017 0.00012 -0.00027 0.00000 129 4ZZ -0.00159 0.00008 -0.00004 0.00007 0.00001 130 4XY 0.00086 -0.00015 0.00025 0.00002 0.00032 131 4XZ 0.00040 -0.00008 -0.00010 -0.00002 -0.00009 132 4YZ 0.00344 -0.00020 -0.00017 0.00012 -0.00054 133 15 C 1S 0.00148 0.00016 0.00001 -0.00020 0.00050 134 2S 0.00006 -0.00054 0.00000 0.00010 -0.00124 135 2PX -0.00139 -0.00081 -0.00061 0.00098 -0.00124 136 2PY -0.00709 -0.00101 0.00106 -0.00006 0.00141 137 2PZ -0.01608 -0.00089 0.00025 0.00122 0.00129 138 3S 0.00043 -0.00160 -0.00011 0.00036 -0.00339 139 3PX -0.00255 -0.00023 -0.00026 0.00054 -0.00104 140 3PY -0.00401 -0.00070 0.00039 -0.00004 0.00145 141 3PZ -0.00988 -0.00038 -0.00001 0.00052 0.00092 142 4XX 0.00081 -0.00002 0.00002 0.00004 0.00004 143 4YY 0.00001 0.00001 -0.00003 0.00003 -0.00005 144 4ZZ -0.00058 0.00007 0.00001 -0.00002 0.00012 145 4XY -0.00146 0.00005 -0.00004 0.00014 0.00018 146 4XZ 0.00022 -0.00006 0.00000 0.00001 -0.00013 147 4YZ 0.00089 -0.00015 0.00003 0.00003 -0.00008 148 16 C 1S 0.00505 -0.00059 0.00030 -0.00074 -0.00059 149 2S -0.01302 0.00106 -0.00038 0.00162 0.00117 150 2PX -0.02778 0.00199 -0.00232 0.00429 0.00248 151 2PY -0.00481 0.00172 -0.00090 0.00134 0.00087 152 2PZ 0.00981 -0.00423 0.00169 0.00001 -0.00056 153 3S -0.02235 0.00107 0.00001 0.00341 0.00298 154 3PX -0.01326 0.00040 -0.00149 0.00257 0.00210 155 3PY -0.01121 -0.00040 0.00030 0.00113 0.00109 156 3PZ -0.00107 -0.00182 0.00104 0.00008 -0.00052 157 4XX 0.00257 -0.00001 -0.00010 0.00001 -0.00018 158 4YY -0.00086 -0.00016 0.00016 0.00005 0.00002 159 4ZZ -0.00069 0.00016 -0.00002 -0.00016 -0.00010 160 4XY -0.00130 0.00015 -0.00004 0.00016 0.00010 161 4XZ -0.00039 -0.00021 0.00014 0.00010 0.00012 162 4YZ 0.00144 -0.00015 0.00006 -0.00011 -0.00004 163 17 C 1S 0.00412 -0.00327 0.00058 0.00008 0.00438 164 2S 0.00531 0.00582 -0.00251 -0.00132 -0.00858 165 2PX 0.06795 -0.00285 -0.00197 -0.00195 -0.00709 166 2PY -0.04958 -0.00502 0.00972 0.00179 0.00032 167 2PZ -0.00432 -0.00416 0.00100 0.00721 0.00649 168 3S 0.00172 0.00585 -0.00259 -0.00098 -0.00652 169 3PX 0.00696 -0.00135 0.00046 0.00088 -0.00144 170 3PY 0.00581 -0.00146 -0.00088 0.00194 0.00162 171 3PZ 0.00788 -0.00264 0.00032 0.00247 0.00174 172 4XX 0.00731 -0.00008 -0.00053 0.00013 0.00011 173 4YY -0.00309 -0.00028 0.00072 -0.00019 0.00008 174 4ZZ -0.00352 -0.00012 -0.00025 0.00021 0.00050 175 4XY -0.00827 0.00005 0.00030 0.00047 0.00044 176 4XZ 0.00290 0.00000 0.00026 -0.00011 -0.00006 177 4YZ -0.00295 -0.00028 -0.00018 -0.00015 0.00016 178 18 H 1S -0.07670 -0.00427 -0.00388 0.00628 0.00624 179 2S -0.06535 -0.00150 -0.00311 0.00631 0.00621 180 19 H 1S 0.01129 0.00126 0.00198 0.00068 -0.00470 181 2S 0.01515 0.00231 -0.00081 0.00097 -0.00490 182 20 H 1S -0.00616 0.00053 -0.00008 0.00031 0.00079 183 2S -0.01103 0.00103 -0.00008 0.00073 0.00237 184 21 H 1S 0.01315 -0.00100 0.00075 -0.00123 -0.00115 185 2S 0.02387 -0.00053 -0.00060 -0.00192 -0.00186 186 22 O 1S -0.00420 -0.00033 -0.00116 -0.00001 0.00036 187 2S 0.00254 0.00069 0.00262 0.00052 -0.00070 188 2PX -0.07584 -0.00318 0.00707 0.00172 0.00023 189 2PY 0.04540 0.00060 -0.00776 0.00118 0.00542 190 2PZ -0.03849 -0.00509 -0.00183 0.00402 0.00427 191 3S 0.01445 0.00045 0.00214 -0.00076 0.00102 192 3PX -0.05878 -0.00192 0.00500 0.00112 0.00089 193 3PY 0.02249 0.00055 -0.00436 0.00114 0.00280 194 3PZ -0.03033 -0.00307 -0.00150 0.00218 0.00270 195 4XX 0.00084 -0.00006 -0.00012 0.00008 0.00007 196 4YY -0.00266 0.00014 0.00033 -0.00005 -0.00050 197 4ZZ -0.00031 -0.00008 -0.00013 0.00011 0.00016 198 4XY 0.00166 0.00020 -0.00027 -0.00004 0.00020 199 4XZ -0.00006 -0.00004 0.00006 0.00001 0.00001 200 4YZ 0.00210 0.00034 0.00001 -0.00037 -0.00033 201 23 O 1S 0.00215 0.00020 0.00018 0.00016 0.00000 202 2S -0.00319 -0.00040 -0.00022 -0.00012 -0.00026 203 2PX -0.01074 -0.00015 0.00025 -0.00210 -0.00139 204 2PY 0.00672 -0.00028 -0.00030 0.00015 -0.00162 205 2PZ -0.02304 0.00251 -0.00011 0.00030 0.00301 206 3S -0.00381 -0.00105 0.00028 -0.00169 0.00074 207 3PX -0.00780 -0.00005 0.00014 -0.00182 -0.00115 208 3PY 0.00464 -0.00037 0.00001 -0.00033 -0.00073 209 3PZ -0.01950 0.00202 -0.00002 0.00023 0.00275 210 4XX -0.00006 0.00002 0.00000 0.00005 -0.00006 211 4YY 0.00049 0.00004 -0.00004 0.00011 -0.00006 212 4ZZ -0.00043 0.00003 0.00000 0.00005 -0.00001 213 4XY -0.00054 0.00002 0.00003 -0.00004 0.00005 214 4XZ -0.00026 -0.00002 0.00001 -0.00003 0.00001 215 4YZ -0.00068 0.00008 -0.00003 -0.00001 -0.00003 101 102 103 104 105 101 4XZ 0.00067 102 4YZ 0.00030 0.00118 103 13 C 1S -0.00067 -0.00047 2.05570 104 2S 0.00140 0.00069 -0.05924 0.31847 105 2PX -0.00142 -0.00004 0.00145 -0.00603 0.36791 106 2PY 0.00213 -0.00074 0.00313 0.00004 0.00064 107 2PZ -0.00133 -0.01332 0.00509 -0.01187 -0.04034 108 3S 0.00254 -0.00015 -0.23487 0.34193 -0.02016 109 3PX -0.00123 -0.00202 0.00487 0.00053 0.20172 110 3PY 0.00166 0.00061 -0.00428 -0.00180 -0.01374 111 3PZ -0.00154 -0.00763 -0.01642 0.00749 0.03534 112 4XX -0.00002 -0.00007 -0.01342 -0.00942 -0.00694 113 4YY -0.00016 -0.00009 -0.01639 -0.00198 0.00184 114 4ZZ -0.00006 0.00015 -0.01493 -0.00559 0.00818 115 4XY 0.00007 -0.00058 -0.00011 0.00025 -0.00529 116 4XZ -0.00001 -0.00019 0.00417 -0.00847 0.00180 117 4YZ 0.00019 0.00075 -0.00260 0.00512 0.01088 118 14 C 1S -0.00006 0.00117 0.01410 -0.02937 0.05421 119 2S 0.00011 -0.00241 -0.02990 0.05355 -0.11390 120 2PX -0.00058 -0.00579 -0.05447 0.10875 -0.12922 121 2PY -0.00006 -0.00215 -0.03295 0.05774 -0.12235 122 2PZ -0.00088 0.00015 0.03101 -0.06074 0.15352 123 3S -0.00011 -0.00335 0.01361 0.00612 -0.10632 124 3PX -0.00045 -0.00175 0.00831 0.00204 0.00043 125 3PY 0.00025 -0.00079 0.01167 0.00243 -0.04375 126 3PZ -0.00037 -0.00060 -0.00553 0.00370 0.03084 127 4XX -0.00009 -0.00026 -0.00335 0.00494 0.00727 128 4YY 0.00013 0.00013 0.00102 -0.00259 0.00115 129 4ZZ -0.00001 0.00034 -0.00038 -0.00066 0.00048 130 4XY -0.00001 -0.00047 -0.00616 0.01145 -0.00962 131 4XZ -0.00003 -0.00022 0.00314 -0.00548 0.00265 132 4YZ -0.00016 -0.00014 0.00441 -0.00839 0.01350 133 15 C 1S -0.00016 -0.00027 -0.00564 0.01174 -0.01769 134 2S 0.00029 0.00073 0.01232 -0.02527 0.04103 135 2PX -0.00104 0.00102 0.01708 -0.03726 0.03871 136 2PY 0.00100 -0.00131 -0.00730 0.01625 -0.02376 137 2PZ -0.00065 -0.00089 -0.01143 0.02602 -0.05046 138 3S 0.00020 0.00220 0.01894 -0.05252 0.10666 139 3PX -0.00043 0.00104 0.00570 -0.01792 0.02462 140 3PY 0.00045 -0.00089 -0.01124 0.01030 -0.03863 141 3PZ -0.00032 -0.00068 -0.00317 0.01097 -0.03511 142 4XX -0.00005 -0.00015 -0.00107 0.00200 -0.00238 143 4YY -0.00001 0.00001 0.00030 -0.00038 0.00286 144 4ZZ 0.00003 0.00006 -0.00042 0.00072 -0.00402 145 4XY -0.00012 -0.00007 -0.00061 0.00121 -0.00264 146 4XZ 0.00000 0.00001 0.00054 -0.00098 0.00430 147 4YZ 0.00003 0.00012 0.00064 -0.00115 0.00031 148 16 C 1S 0.00048 0.00058 -0.00069 0.00077 -0.00555 149 2S -0.00101 -0.00132 0.00021 -0.00157 0.01296 150 2PX -0.00402 -0.00076 0.00316 -0.00830 -0.00042 151 2PY -0.00155 -0.00055 -0.00158 0.00249 -0.00595 152 2PZ 0.00116 0.00232 -0.00066 0.00269 -0.03301 153 3S -0.00059 -0.00391 0.00733 0.00253 0.03114 154 3PX -0.00183 -0.00124 0.00679 -0.00921 -0.00477 155 3PY -0.00023 -0.00103 -0.00348 -0.00163 0.00503 156 3PZ 0.00025 0.00181 -0.00313 0.00379 -0.02446 157 4XX -0.00017 0.00018 -0.00011 -0.00006 0.00065 158 4YY 0.00012 -0.00004 0.00010 -0.00001 0.00081 159 4ZZ 0.00001 0.00003 -0.00011 -0.00011 -0.00124 160 4XY -0.00014 -0.00004 -0.00050 0.00116 -0.00098 161 4XZ 0.00015 -0.00010 -0.00023 0.00038 0.00080 162 4YZ 0.00009 0.00012 0.00034 -0.00083 0.00133 163 17 C 1S 0.00306 -0.00280 -0.00341 0.00781 -0.00169 164 2S -0.00632 0.00540 0.00908 -0.01886 0.00917 165 2PX -0.00403 0.00729 0.00899 -0.02203 0.01367 166 2PY 0.00652 -0.00063 -0.00946 0.02431 -0.00258 167 2PZ -0.00090 -0.00046 -0.00730 0.01538 0.01198 168 3S -0.00387 0.00635 -0.00324 -0.01172 0.00910 169 3PX -0.00096 0.00260 0.00024 -0.00576 0.02119 170 3PY 0.00053 -0.00237 0.01099 -0.01205 0.01274 171 3PZ -0.00120 0.00104 -0.00338 0.00789 -0.00667 172 4XX -0.00011 -0.00040 0.00038 -0.00114 0.00573 173 4YY 0.00038 0.00014 -0.00186 0.00381 -0.00199 174 4ZZ -0.00010 -0.00038 0.00066 -0.00133 -0.00240 175 4XY -0.00003 -0.00012 0.00031 -0.00072 -0.00100 176 4XZ 0.00047 0.00016 -0.00053 0.00124 0.00128 177 4YZ -0.00031 0.00034 0.00045 -0.00067 -0.00593 178 18 H 1S -0.00724 -0.01140 0.01197 -0.02568 -0.00897 179 2S -0.00437 -0.00923 0.01510 -0.02813 -0.02641 180 19 H 1S 0.00025 0.00775 -0.06124 0.11770 0.12226 181 2S -0.00013 0.00713 -0.01187 0.02691 0.10879 182 20 H 1S -0.00024 -0.00051 -0.00676 0.01375 -0.02259 183 2S -0.00041 -0.00136 -0.01486 0.02719 -0.05707 184 21 H 1S 0.00098 0.00096 0.00094 -0.00128 -0.00183 185 2S 0.00042 0.00187 0.00686 -0.01143 0.00042 186 22 O 1S -0.00003 -0.00031 0.00112 -0.00269 0.00134 187 2S 0.00048 0.00048 -0.00244 0.00561 -0.00155 188 2PX -0.00141 0.00350 -0.00875 0.01347 -0.01938 189 2PY -0.00378 -0.00246 0.00730 -0.01951 -0.00014 190 2PZ -0.00402 0.00353 0.00893 -0.01485 -0.04296 191 3S 0.00012 0.00050 -0.00776 0.01514 -0.01519 192 3PX -0.00072 0.00191 -0.00629 0.01109 -0.02014 193 3PY -0.00224 -0.00141 0.00507 -0.01375 0.00266 194 3PZ -0.00279 0.00246 0.00720 -0.01269 -0.03288 195 4XX -0.00001 -0.00006 0.00016 -0.00068 0.00101 196 4YY 0.00012 0.00017 0.00018 -0.00001 0.00067 197 4ZZ -0.00003 -0.00009 0.00014 -0.00062 0.00012 198 4XY 0.00016 -0.00037 -0.00005 0.00014 0.00073 199 4XZ 0.00001 0.00008 -0.00019 0.00035 -0.00026 200 4YZ 0.00019 -0.00016 -0.00012 0.00013 0.00159 201 23 O 1S -0.00008 0.00000 -0.00282 0.00538 -0.00269 202 2S 0.00023 -0.00002 0.00573 -0.01244 0.00991 203 2PX 0.00070 0.00332 0.02875 -0.04842 0.03561 204 2PY 0.00032 0.00047 0.01286 -0.02094 0.03200 205 2PZ 0.00124 0.00143 -0.01870 0.03915 -0.05631 206 3S 0.00032 -0.00023 0.01054 -0.00577 -0.00905 207 3PX 0.00064 0.00295 0.02226 -0.04014 0.02836 208 3PY 0.00019 0.00017 0.00754 -0.00936 0.01419 209 3PZ 0.00103 0.00121 -0.01415 0.03116 -0.05524 210 4XX -0.00002 -0.00002 -0.00073 0.00007 0.00144 211 4YY 0.00001 0.00001 -0.00002 -0.00077 0.00027 212 4ZZ 0.00001 0.00005 -0.00080 -0.00001 0.00054 213 4XY 0.00001 -0.00001 -0.00012 0.00047 -0.00192 214 4XZ 0.00001 -0.00002 0.00003 -0.00022 -0.00008 215 4YZ 0.00003 0.00007 0.00014 0.00014 0.00204 106 107 108 109 110 106 2PY 0.42070 107 2PZ 0.01215 0.37981 108 3S -0.08049 0.05803 0.55077 109 3PX 0.00184 0.02939 -0.01593 0.12665 110 3PY 0.12904 -0.01196 0.01135 -0.01127 0.06783 111 3PZ -0.01924 0.20401 0.07121 0.04359 -0.01222 112 4XX -0.00696 0.00255 -0.00827 -0.00319 -0.00109 113 4YY 0.01326 -0.00063 -0.00616 0.00122 0.00212 114 4ZZ -0.01015 -0.00506 -0.00366 0.00361 -0.00275 115 4XY -0.00320 0.01098 0.00171 -0.00106 -0.00161 116 4XZ 0.00834 0.00361 -0.00907 0.00097 0.00240 117 4YZ -0.00333 -0.00928 0.00632 0.00448 -0.00137 118 14 C 1S 0.03584 -0.03570 0.02047 0.00033 0.01644 119 2S -0.08052 0.07604 -0.00257 -0.01740 -0.02632 120 2PX -0.12702 0.15561 0.15402 -0.06002 -0.06616 121 2PY -0.06353 0.06849 0.11317 -0.06878 0.01883 122 2PZ 0.06393 -0.00963 -0.09140 0.08586 0.03001 123 3S -0.06223 0.06649 -0.04889 -0.02053 -0.01591 124 3PX -0.01552 0.02880 -0.01466 0.00581 -0.01071 125 3PY 0.02768 0.02110 -0.03226 -0.00951 0.00583 126 3PZ 0.00489 0.02275 0.00647 0.01867 -0.00173 127 4XX -0.00795 0.00620 0.01427 0.00335 -0.00142 128 4YY 0.01302 -0.00256 -0.00718 0.00023 0.00239 129 4ZZ -0.00147 -0.00968 0.00110 -0.00265 0.00105 130 4XY -0.00448 0.01227 0.02904 -0.00486 0.00057 131 4XZ 0.00533 0.00498 -0.00489 0.00182 0.00105 132 4YZ 0.00320 0.00092 -0.01823 0.00918 -0.00088 133 15 C 1S -0.00621 0.01187 0.02646 -0.01054 -0.00462 134 2S 0.01336 -0.02701 -0.06299 0.02630 0.00455 135 2PX 0.02442 -0.04430 -0.11911 0.03617 0.03164 136 2PY -0.01525 0.01907 0.03874 -0.00959 -0.01208 137 2PZ -0.01122 0.01410 0.06942 -0.04213 -0.01553 138 3S 0.03209 -0.07043 -0.15942 0.05097 -0.00617 139 3PX 0.00840 -0.03456 -0.04711 0.01254 0.01607 140 3PY -0.01389 0.02527 0.00139 -0.02176 -0.01805 141 3PZ 0.00050 0.00556 0.01647 -0.02133 -0.00627 142 4XX -0.00215 0.00510 0.00300 -0.00084 -0.00079 143 4YY 0.00048 -0.00135 0.00011 0.00158 -0.00040 144 4ZZ -0.00043 -0.00092 0.00111 -0.00240 0.00015 145 4XY -0.00036 0.00049 0.00500 -0.00289 -0.00040 146 4XZ 0.00101 -0.00141 -0.00070 0.00204 -0.00003 147 4YZ 0.00090 -0.00230 -0.00376 0.00100 0.00114 148 16 C 1S 0.00244 -0.00019 0.00004 -0.00538 0.00049 149 2S -0.00579 0.00136 0.01046 0.00990 0.00257 150 2PX -0.00711 -0.01691 -0.00512 -0.00748 0.00906 151 2PY 0.00155 0.00728 0.01116 -0.00686 0.01068 152 2PZ 0.01354 -0.02480 -0.00756 -0.01992 0.00706 153 3S -0.00701 0.00479 0.06266 0.02598 0.03090 154 3PX -0.00347 -0.00891 -0.01462 -0.00406 0.00473 155 3PY 0.00786 0.00252 -0.02824 0.00094 -0.00213 156 3PZ 0.01004 -0.01980 0.00444 -0.01660 0.00814 157 4XX -0.00096 0.00097 0.00024 0.00032 -0.00058 158 4YY 0.00079 -0.00006 -0.00033 0.00053 0.00034 159 4ZZ 0.00014 -0.00087 -0.00068 -0.00070 0.00004 160 4XY -0.00208 0.00181 0.00505 -0.00147 -0.00126 161 4XZ 0.00036 0.00022 0.00070 0.00038 0.00025 162 4YZ 0.00110 -0.00089 -0.00271 0.00134 0.00079 163 17 C 1S 0.01402 0.00455 -0.00945 0.00354 0.00138 164 2S -0.03691 -0.00798 -0.00356 0.00183 -0.01355 165 2PX -0.03561 -0.01233 -0.02400 0.01022 -0.01499 166 2PY 0.03579 0.01033 0.06830 0.00004 0.04309 167 2PZ 0.00715 0.01886 0.03572 -0.00489 0.00466 168 3S -0.05738 -0.03944 0.01399 -0.00799 -0.01650 169 3PX -0.00859 -0.01715 -0.00532 0.01027 0.00524 170 3PY -0.02033 0.00726 -0.02353 0.01113 -0.01084 171 3PZ 0.00114 0.01116 0.02168 -0.00910 -0.00255 172 4XX -0.00500 0.00420 -0.00318 0.00370 -0.00466 173 4YY 0.00970 -0.00013 0.00455 -0.00080 0.00470 174 4ZZ -0.00135 -0.00262 -0.00335 -0.00154 -0.00024 175 4XY -0.00199 -0.00157 0.00693 -0.00067 0.00549 176 4XZ 0.00118 0.00100 0.00256 0.00083 0.00067 177 4YZ 0.00267 -0.00411 -0.00723 -0.00452 -0.00238 178 18 H 1S -0.03919 0.01495 -0.04656 -0.00112 -0.01778 179 2S -0.06258 0.02568 -0.02069 -0.01049 -0.01262 180 19 H 1S -0.13332 -0.19798 0.11828 0.04306 -0.03798 181 2S -0.09887 -0.16590 0.00422 0.03775 -0.02833 182 20 H 1S -0.00859 0.01593 0.04551 -0.02318 -0.01279 183 2S -0.02511 0.03574 0.08774 -0.04329 -0.00934 184 21 H 1S 0.00861 -0.00421 -0.00950 0.00310 0.00480 185 2S 0.00560 -0.01314 -0.04183 0.00360 -0.00421 186 22 O 1S -0.00581 -0.00050 -0.00207 -0.00179 -0.00302 187 2S 0.01227 0.00035 0.01151 0.00376 0.00952 188 2PX 0.04402 -0.01401 0.11916 -0.00849 0.10152 189 2PY -0.03258 -0.00567 -0.06339 0.00109 -0.03501 190 2PZ -0.00419 -0.02966 -0.07724 -0.04437 -0.04145 191 3S 0.04220 0.00505 0.01117 -0.00309 0.01524 192 3PX 0.03629 -0.00810 0.08488 -0.00974 0.07286 193 3PY -0.02808 -0.00590 -0.03586 0.00193 -0.02165 194 3PZ -0.00289 -0.02552 -0.06077 -0.03206 -0.02914 195 4XX -0.00181 -0.00015 -0.00076 0.00061 -0.00064 196 4YY -0.00068 0.00003 0.00265 0.00025 0.00100 197 4ZZ -0.00110 -0.00069 -0.00197 -0.00010 -0.00102 198 4XY -0.00054 0.00089 -0.00452 0.00031 -0.00377 199 4XZ 0.00081 -0.00026 0.00057 -0.00025 0.00044 200 4YZ -0.00025 0.00090 0.00187 0.00209 0.00124 201 23 O 1S -0.01047 0.00110 0.00337 0.00508 -0.00052 202 2S 0.02305 -0.00482 -0.02107 -0.00521 -0.00472 203 2PX 0.06770 -0.06075 -0.28919 0.02728 -0.03414 204 2PY 0.03673 -0.01486 -0.10734 0.05634 -0.01946 205 2PZ -0.03709 -0.01523 0.15040 -0.04740 0.01668 206 3S 0.06021 0.00908 -0.00502 -0.02309 0.01138 207 3PX 0.05880 -0.05468 -0.21149 0.01927 -0.01808 208 3PY 0.03124 -0.00269 -0.05570 0.02997 -0.00654 209 3PZ -0.03008 -0.01596 0.11143 -0.04331 0.01124 210 4XX -0.00219 0.00019 0.00121 0.00030 -0.00052 211 4YY -0.00142 -0.00038 -0.00603 0.00321 -0.00192 212 4ZZ -0.00128 -0.00166 0.00257 -0.00062 0.00052 213 4XY -0.00084 0.00157 -0.00854 -0.00023 -0.00340 214 4XZ 0.00114 0.00063 -0.00084 0.00001 0.00016 215 4YZ 0.00025 -0.00108 0.00306 0.00070 0.00128 111 112 113 114 115 111 3PZ 0.13016 112 4XX 0.00064 0.00095 113 4YY -0.00146 -0.00022 0.00091 114 4ZZ -0.00119 0.00022 -0.00017 0.00083 115 4XY 0.00483 0.00015 -0.00001 -0.00024 0.00099 116 4XZ 0.00178 0.00012 0.00031 -0.00012 -0.00009 117 4YZ -0.00268 -0.00037 -0.00011 0.00025 -0.00037 118 14 C 1S 0.00412 -0.00327 0.00058 0.00008 -0.00438 119 2S 0.00531 0.00582 -0.00251 -0.00132 0.00858 120 2PX 0.06795 -0.00285 -0.00197 -0.00195 0.00709 121 2PY 0.04958 0.00502 -0.00972 -0.00179 0.00032 122 2PZ -0.00432 -0.00416 0.00100 0.00721 -0.00649 123 3S 0.00172 0.00585 -0.00259 -0.00098 0.00652 124 3PX 0.00696 -0.00135 0.00046 0.00088 0.00144 125 3PY -0.00581 0.00146 0.00088 -0.00194 0.00162 126 3PZ 0.00788 -0.00264 0.00032 0.00247 -0.00174 127 4XX 0.00731 -0.00008 -0.00053 0.00013 -0.00011 128 4YY -0.00309 -0.00028 0.00072 -0.00019 -0.00008 129 4ZZ -0.00352 -0.00012 -0.00025 0.00021 -0.00050 130 4XY 0.00827 -0.00005 -0.00030 -0.00047 0.00044 131 4XZ 0.00290 0.00000 0.00026 -0.00011 0.00006 132 4YZ 0.00295 0.00028 0.00018 0.00015 0.00016 133 15 C 1S 0.00505 -0.00059 0.00030 -0.00074 0.00059 134 2S -0.01302 0.00106 -0.00038 0.00162 -0.00117 135 2PX -0.02778 0.00199 -0.00232 0.00429 -0.00248 136 2PY 0.00481 -0.00172 0.00090 -0.00134 0.00087 137 2PZ 0.00981 -0.00423 0.00169 0.00001 0.00056 138 3S -0.02235 0.00107 0.00001 0.00341 -0.00298 139 3PX -0.01326 0.00040 -0.00149 0.00257 -0.00210 140 3PY 0.01121 0.00040 -0.00030 -0.00113 0.00109 141 3PZ -0.00107 -0.00182 0.00104 0.00008 0.00052 142 4XX 0.00257 -0.00001 -0.00010 0.00001 0.00018 143 4YY -0.00086 -0.00016 0.00016 0.00005 -0.00002 144 4ZZ -0.00069 0.00016 -0.00002 -0.00016 0.00010 145 4XY 0.00130 -0.00015 0.00004 -0.00016 0.00010 146 4XZ -0.00039 -0.00021 0.00014 0.00010 -0.00012 147 4YZ -0.00144 0.00015 -0.00006 0.00011 -0.00004 148 16 C 1S 0.00148 0.00016 0.00001 -0.00020 -0.00050 149 2S 0.00006 -0.00054 0.00000 0.00010 0.00124 150 2PX -0.00139 -0.00081 -0.00061 0.00098 0.00124 151 2PY 0.00709 0.00101 -0.00106 0.00006 0.00141 152 2PZ -0.01608 -0.00089 0.00025 0.00122 -0.00129 153 3S 0.00043 -0.00160 -0.00011 0.00036 0.00339 154 3PX -0.00255 -0.00023 -0.00026 0.00054 0.00104 155 3PY 0.00401 0.00070 -0.00039 0.00004 0.00145 156 3PZ -0.00988 -0.00038 -0.00001 0.00052 -0.00092 157 4XX 0.00081 -0.00002 0.00002 0.00004 -0.00004 158 4YY 0.00001 0.00001 -0.00003 0.00003 0.00005 159 4ZZ -0.00058 0.00007 0.00001 -0.00002 -0.00012 160 4XY 0.00146 -0.00005 0.00004 -0.00014 0.00018 161 4XZ 0.00022 -0.00006 0.00000 0.00001 0.00013 162 4YZ -0.00089 0.00015 -0.00003 -0.00003 -0.00008 163 17 C 1S -0.00339 -0.00021 -0.00053 -0.00047 0.00161 164 2S 0.00363 0.00064 0.00092 0.00129 -0.00339 165 2PX -0.00471 0.00012 0.00177 0.00130 -0.00429 166 2PY 0.00458 -0.00020 -0.00147 -0.00002 0.00438 167 2PZ 0.01409 -0.00116 -0.00111 -0.00051 0.00538 168 3S -0.01070 0.00075 -0.00040 0.00183 -0.00376 169 3PX -0.00664 -0.00011 0.00006 0.00086 -0.00043 170 3PY 0.00238 0.00035 -0.00027 0.00099 0.00174 171 3PZ 0.00672 -0.00059 -0.00002 -0.00041 0.00129 172 4XX 0.00288 -0.00005 0.00006 0.00008 0.00027 173 4YY -0.00098 -0.00017 0.00012 -0.00027 0.00000 174 4ZZ -0.00159 0.00008 -0.00004 0.00007 -0.00001 175 4XY -0.00086 0.00015 -0.00025 -0.00002 0.00032 176 4XZ 0.00040 -0.00008 -0.00010 -0.00002 0.00009 177 4YZ -0.00344 0.00020 0.00017 -0.00012 -0.00054 178 18 H 1S 0.01129 0.00126 0.00198 0.00068 0.00470 179 2S 0.01515 0.00231 -0.00081 0.00097 0.00490 180 19 H 1S -0.07670 -0.00427 -0.00388 0.00628 -0.00624 181 2S -0.06535 -0.00150 -0.00311 0.00631 -0.00621 182 20 H 1S 0.01315 -0.00100 0.00075 -0.00123 0.00115 183 2S 0.02387 -0.00053 -0.00060 -0.00192 0.00186 184 21 H 1S -0.00616 0.00053 -0.00008 0.00031 -0.00079 185 2S -0.01103 0.00103 -0.00008 0.00073 -0.00237 186 22 O 1S 0.00215 0.00020 0.00018 0.00016 0.00000 187 2S -0.00319 -0.00040 -0.00022 -0.00012 0.00026 188 2PX -0.01074 -0.00015 0.00025 -0.00210 0.00139 189 2PY -0.00672 0.00028 0.00030 -0.00015 -0.00162 190 2PZ -0.02304 0.00251 -0.00011 0.00030 -0.00301 191 3S -0.00381 -0.00105 0.00028 -0.00169 -0.00074 192 3PX -0.00780 -0.00005 0.00014 -0.00182 0.00115 193 3PY -0.00464 0.00037 -0.00001 0.00033 -0.00073 194 3PZ -0.01950 0.00202 -0.00002 0.00023 -0.00275 195 4XX -0.00006 0.00002 0.00000 0.00005 0.00006 196 4YY 0.00049 0.00004 -0.00004 0.00011 0.00006 197 4ZZ -0.00043 0.00003 0.00000 0.00005 0.00001 198 4XY 0.00054 -0.00002 -0.00003 0.00004 0.00005 199 4XZ -0.00026 -0.00002 0.00001 -0.00003 -0.00001 200 4YZ 0.00068 -0.00008 0.00003 0.00001 -0.00003 201 23 O 1S -0.00420 -0.00033 -0.00116 -0.00001 -0.00036 202 2S 0.00254 0.00069 0.00262 0.00052 0.00070 203 2PX -0.07584 -0.00318 0.00707 0.00172 -0.00023 204 2PY -0.04540 -0.00060 0.00776 -0.00118 0.00542 205 2PZ -0.03849 -0.00509 -0.00183 0.00402 -0.00427 206 3S 0.01445 0.00045 0.00214 -0.00076 -0.00102 207 3PX -0.05878 -0.00192 0.00500 0.00112 -0.00089 208 3PY -0.02249 -0.00055 0.00436 -0.00114 0.00280 209 3PZ -0.03033 -0.00307 -0.00150 0.00218 -0.00270 210 4XX 0.00084 -0.00006 -0.00012 0.00008 -0.00007 211 4YY -0.00266 0.00014 0.00033 -0.00005 0.00050 212 4ZZ -0.00031 -0.00008 -0.00013 0.00011 -0.00016 213 4XY -0.00166 -0.00020 0.00027 0.00004 0.00020 214 4XZ -0.00006 -0.00004 0.00006 0.00001 -0.00001 215 4YZ -0.00210 -0.00034 -0.00001 0.00037 -0.00033 116 117 118 119 120 116 4XZ 0.00067 117 4YZ -0.00030 0.00118 118 14 C 1S 0.00306 0.00280 2.05381 119 2S -0.00632 -0.00540 -0.07109 0.35855 120 2PX -0.00403 -0.00729 -0.00061 0.00241 0.37725 121 2PY -0.00652 -0.00063 -0.00350 0.00756 0.01133 122 2PZ -0.00090 0.00046 0.00102 -0.00365 -0.06931 123 3S -0.00387 -0.00635 -0.14982 0.25478 0.00259 124 3PX -0.00096 -0.00260 -0.00725 0.00851 0.08621 125 3PY -0.00053 -0.00237 -0.06048 0.08069 -0.01005 126 3PZ -0.00120 -0.00104 -0.00431 0.00555 0.04163 127 4XX -0.00011 0.00040 -0.01269 -0.01195 0.00171 128 4YY 0.00038 -0.00014 -0.01530 -0.00363 -0.00015 129 4ZZ -0.00010 0.00038 -0.01103 -0.01542 -0.00107 130 4XY 0.00003 -0.00012 -0.00044 0.00159 0.00643 131 4XZ 0.00047 -0.00016 0.00244 -0.00539 -0.00059 132 4YZ 0.00031 0.00034 -0.00044 0.00127 -0.01374 133 15 C 1S 0.00048 -0.00058 0.01366 -0.02700 0.04817 134 2S -0.00101 0.00132 -0.02877 0.04998 -0.09787 135 2PX -0.00402 0.00076 -0.04921 0.10326 -0.11265 136 2PY 0.00155 -0.00055 0.03670 -0.08129 0.11148 137 2PZ 0.00116 -0.00232 0.03827 -0.07860 0.15174 138 3S -0.00059 0.00391 0.02032 -0.00675 -0.12988 139 3PX -0.00183 0.00124 0.00493 0.00877 -0.04523 140 3PY 0.00023 -0.00103 0.01843 -0.02641 0.06746 141 3PZ 0.00025 -0.00181 -0.00182 -0.00813 0.06915 142 4XX -0.00017 -0.00018 -0.00233 0.00390 0.00529 143 4YY 0.00012 0.00004 0.00018 -0.00194 0.00090 144 4ZZ 0.00001 -0.00003 -0.00119 0.00138 -0.00089 145 4XY 0.00014 -0.00004 0.00425 -0.00820 0.00617 146 4XZ 0.00015 0.00010 0.00326 -0.00649 0.00256 147 4YZ -0.00009 0.00012 -0.00335 0.00643 -0.00737 148 16 C 1S -0.00016 0.00027 -0.00347 0.00930 -0.00841 149 2S 0.00029 -0.00073 0.00792 -0.01915 0.02042 150 2PX -0.00104 -0.00102 0.00473 -0.00996 0.02132 151 2PY -0.00100 -0.00131 -0.01413 0.03815 -0.02484 152 2PZ -0.00065 0.00089 -0.00308 0.00928 0.00256 153 3S 0.00020 -0.00220 -0.01350 0.00059 0.01132 154 3PX -0.00043 -0.00104 -0.00469 0.00188 0.00846 155 3PY -0.00045 -0.00089 -0.00010 0.01153 -0.00453 156 3PZ -0.00032 0.00068 0.00253 0.00123 -0.00296 157 4XX -0.00005 0.00015 -0.00031 0.00102 -0.00042 158 4YY -0.00001 -0.00001 -0.00041 0.00092 -0.00184 159 4ZZ 0.00003 -0.00006 -0.00024 0.00078 -0.00065 160 4XY 0.00012 -0.00007 0.00179 -0.00367 0.00464 161 4XZ 0.00000 -0.00001 0.00004 -0.00022 0.00052 162 4YZ -0.00003 0.00012 -0.00137 0.00282 -0.00598 163 17 C 1S -0.00006 -0.00117 -0.00381 0.00605 -0.00037 164 2S 0.00011 0.00241 0.00605 -0.01281 0.00078 165 2PX -0.00058 0.00579 -0.00037 0.00078 -0.02966 166 2PY 0.00006 -0.00215 -0.00846 0.02141 -0.00226 167 2PZ -0.00088 -0.00015 0.00061 0.00137 0.01388 168 3S -0.00011 0.00335 0.01987 -0.02794 0.00221 169 3PX -0.00045 0.00175 0.00058 -0.00056 -0.01348 170 3PY -0.00025 -0.00079 -0.01661 0.02202 -0.00289 171 3PZ -0.00037 0.00060 0.00134 -0.00055 0.00524 172 4XX -0.00009 0.00026 -0.00036 0.00059 -0.00023 173 4YY 0.00013 -0.00013 -0.00033 -0.00019 -0.00052 174 4ZZ -0.00001 -0.00034 -0.00057 0.00068 0.00073 175 4XY 0.00001 -0.00047 0.00000 -0.00005 0.00175 176 4XZ -0.00003 0.00022 -0.00011 -0.00003 -0.00036 177 4YZ 0.00016 -0.00014 -0.00019 0.00012 -0.00235 178 18 H 1S 0.00025 -0.00775 -0.00725 0.01682 0.02828 179 2S -0.00013 -0.00713 -0.01020 0.02150 0.04407 180 19 H 1S -0.00724 0.01140 0.01078 -0.02379 -0.03953 181 2S -0.00437 0.00923 0.01881 -0.03589 -0.07197 182 20 H 1S 0.00098 -0.00096 0.01124 -0.02469 0.03847 183 2S 0.00042 -0.00187 0.02036 -0.03633 0.07441 184 21 H 1S -0.00024 0.00051 -0.00877 0.01999 -0.02590 185 2S -0.00041 0.00136 -0.01160 0.02373 -0.04198 186 22 O 1S -0.00008 0.00000 -0.00036 0.00095 0.00021 187 2S 0.00023 0.00002 -0.00070 0.00008 -0.00094 188 2PX 0.00070 -0.00332 -0.00027 0.00025 -0.00205 189 2PY -0.00032 0.00047 0.00207 -0.00770 0.00056 190 2PZ 0.00124 -0.00143 -0.00096 0.00090 -0.00949 191 3S 0.00032 0.00023 0.01007 -0.01475 0.00051 192 3PX 0.00064 -0.00295 0.00026 -0.00055 0.00216 193 3PY -0.00019 0.00017 -0.00089 -0.00135 0.00026 194 3PZ 0.00103 -0.00121 -0.00059 0.00012 -0.00879 195 4XX -0.00002 0.00002 -0.00071 0.00073 -0.00024 196 4YY 0.00001 -0.00001 -0.00048 0.00073 0.00005 197 4ZZ 0.00001 -0.00005 -0.00064 0.00056 -0.00012 198 4XY -0.00001 -0.00001 0.00000 -0.00007 0.00076 199 4XZ 0.00001 0.00002 0.00013 -0.00025 -0.00009 200 4YZ -0.00003 0.00007 0.00006 -0.00018 0.00018 201 23 O 1S -0.00003 0.00031 0.01187 -0.01328 0.00379 202 2S 0.00048 -0.00048 -0.02038 0.02305 -0.00908 203 2PX -0.00141 -0.00350 -0.00967 0.01824 0.14980 204 2PY 0.00378 -0.00246 -0.10128 0.21849 -0.05413 205 2PZ -0.00402 -0.00353 -0.00765 0.01501 0.11120 206 3S 0.00012 -0.00050 -0.01281 -0.03473 0.00167 207 3PX -0.00072 -0.00191 -0.00492 0.00836 0.07891 208 3PY 0.00224 -0.00141 -0.05718 0.11196 -0.02857 209 3PZ -0.00279 -0.00246 -0.00424 0.00748 0.07937 210 4XX -0.00001 0.00006 0.00412 -0.00509 0.00274 211 4YY 0.00012 -0.00017 -0.00903 0.01950 -0.00501 212 4ZZ -0.00003 0.00009 0.00413 -0.00502 0.00068 213 4XY -0.00016 -0.00037 -0.00130 0.00250 0.01604 214 4XZ 0.00001 -0.00008 -0.00009 0.00028 0.00147 215 4YZ -0.00019 -0.00016 -0.00107 0.00185 0.00316 121 122 123 124 125 121 2PY 0.42606 122 2PZ 0.00950 0.32857 123 3S 0.04864 0.00927 0.22567 124 3PX -0.01369 0.04144 0.00904 0.04066 125 3PY -0.00595 0.00089 0.05925 0.00235 0.03597 126 3PZ -0.01082 0.12312 0.00693 0.02830 0.00080 127 4XX 0.01636 -0.00015 -0.00596 -0.00138 -0.00512 128 4YY -0.01793 0.00049 -0.00696 0.00132 0.00312 129 4ZZ 0.01244 0.00106 -0.00805 -0.00080 -0.00474 130 4XY -0.00246 -0.01401 -0.00135 -0.00499 -0.00055 131 4XZ -0.00722 -0.00248 -0.00384 -0.00045 -0.00010 132 4YZ -0.00040 -0.00341 0.00023 -0.00195 0.00034 133 15 C 1S -0.03450 -0.03791 0.00313 -0.00377 -0.00176 134 2S 0.06311 0.07828 0.01924 -0.00032 0.01530 135 2PX 0.11026 0.15541 0.09754 0.00640 0.04173 136 2PY -0.07556 -0.09259 -0.06809 0.01745 0.02334 137 2PZ -0.09182 -0.03236 -0.07757 0.02279 -0.03680 138 3S 0.11506 0.08804 -0.01842 0.00181 -0.01046 139 3PX 0.06921 0.07049 0.01281 0.00269 0.00474 140 3PY 0.02007 -0.05630 -0.01542 0.00600 0.00181 141 3PZ -0.05467 -0.00548 -0.01307 0.01217 -0.00735 142 4XX 0.00378 0.00294 0.00314 0.00151 -0.00064 143 4YY -0.00945 -0.00071 -0.00254 0.00033 0.00059 144 4ZZ 0.00046 -0.00620 0.00151 -0.00160 -0.00032 145 4XY -0.00135 -0.00744 -0.00848 0.00044 -0.00317 146 4XZ -0.00683 -0.00006 -0.00436 0.00077 -0.00068 147 4YZ 0.00084 0.00206 0.00592 -0.00210 0.00219 148 16 C 1S 0.01017 0.00640 0.00123 -0.00315 -0.00832 149 2S -0.02553 -0.01564 -0.01520 0.00891 0.01165 150 2PX -0.01214 0.00272 -0.04435 0.02188 -0.00829 151 2PY 0.03902 0.02461 0.05202 -0.01060 -0.02478 152 2PZ 0.00519 0.01887 0.02570 -0.01401 0.00008 153 3S -0.07902 0.00366 0.00232 0.01710 0.01666 154 3PX -0.00757 0.00009 -0.00939 0.00980 -0.00139 155 3PY 0.04059 0.00082 0.01716 0.00159 -0.00919 156 3PZ 0.00269 -0.00016 0.00367 -0.01086 -0.00195 157 4XX 0.00015 0.00105 0.00102 -0.00054 -0.00101 158 4YY 0.00210 0.00158 0.00034 -0.00006 0.00053 159 4ZZ -0.00005 0.00000 0.00121 -0.00041 -0.00054 160 4XY -0.00434 -0.00604 -0.00524 0.00055 -0.00219 161 4XZ -0.00063 -0.00038 -0.00079 0.00048 0.00002 162 4YZ 0.00382 0.00123 0.00403 -0.00136 0.00178 163 17 C 1S 0.00846 0.00061 0.01987 0.00058 0.01661 164 2S -0.02141 0.00137 -0.02794 -0.00056 -0.02202 165 2PX 0.00226 0.01388 0.00221 -0.01348 0.00289 166 2PY 0.02689 0.00061 0.03218 0.00049 -0.00780 167 2PZ -0.00061 -0.01902 -0.01690 0.00442 -0.01086 168 3S -0.03218 -0.01690 -0.04669 -0.00352 -0.02836 169 3PX -0.00049 0.00442 -0.00352 0.00296 -0.00167 170 3PY -0.00780 0.01086 0.02836 0.00167 0.00432 171 3PZ 0.00303 -0.00778 -0.00755 -0.00436 -0.00478 172 4XX -0.00004 0.00076 0.00119 -0.00036 0.00027 173 4YY -0.00149 -0.00074 -0.00084 0.00015 0.00127 174 4ZZ -0.00006 0.00025 0.00168 0.00038 0.00072 175 4XY 0.00017 -0.00253 -0.00047 0.00307 -0.00008 176 4XZ -0.00019 0.00002 -0.00076 -0.00011 0.00007 177 4YZ 0.00067 -0.00075 0.00128 -0.00244 0.00086 178 18 H 1S 0.01601 -0.00893 0.03884 0.01629 0.00020 179 2S 0.02424 -0.01716 0.03596 0.01921 -0.00009 180 19 H 1S -0.01278 0.01908 -0.04166 -0.01058 -0.02963 181 2S 0.00801 0.04012 -0.03913 -0.01111 -0.02479 182 20 H 1S -0.01482 -0.02902 -0.04010 0.00238 -0.03175 183 2S 0.00999 -0.05440 -0.04371 0.00219 -0.03071 184 21 H 1S 0.02210 0.02038 0.04606 -0.01497 0.00466 185 2S 0.03318 0.03423 0.04563 -0.01735 0.00638 186 22 O 1S -0.00037 0.00027 -0.00332 -0.00010 -0.00182 187 2S -0.00242 -0.00054 0.00611 0.00022 -0.00103 188 2PX 0.00215 -0.01484 -0.00478 0.02941 -0.00238 189 2PY -0.00832 -0.00202 -0.00346 0.00052 0.01806 190 2PZ 0.00436 -0.01354 0.00344 -0.02346 0.00101 191 3S 0.01310 -0.00348 -0.00861 -0.00011 0.00895 192 3PX 0.00211 -0.01332 -0.00362 0.02137 -0.00090 193 3PY -0.00895 -0.00173 0.00174 0.00048 0.00759 194 3PZ 0.00315 -0.00844 0.00396 -0.01669 0.00254 195 4XX -0.00113 -0.00004 0.00074 0.00012 0.00016 196 4YY -0.00028 0.00036 0.00038 0.00001 -0.00173 197 4ZZ -0.00126 -0.00019 0.00062 -0.00014 0.00021 198 4XY -0.00039 0.00043 0.00010 -0.00077 0.00017 199 4XZ -0.00014 -0.00026 -0.00040 -0.00001 0.00004 200 4YZ -0.00033 0.00119 0.00022 0.00086 0.00037 201 23 O 1S 0.04814 0.00348 0.03130 0.00045 -0.00298 202 2S -0.11032 -0.01008 -0.08068 0.00113 0.03149 203 2PX -0.05616 0.10937 0.03213 0.11643 0.01410 204 2PY -0.38653 -0.05518 0.15311 -0.00402 0.05491 205 2PZ -0.05317 0.23611 0.01509 0.04634 0.00678 206 3S -0.02670 0.00705 -0.13691 0.00394 0.03498 207 3PX -0.03095 0.07880 0.01988 0.07447 0.01014 208 3PY -0.20309 -0.03002 0.08117 -0.00243 0.03093 209 3PZ -0.03090 0.13893 0.00816 0.02818 0.00473 210 4XX 0.00498 0.00026 -0.00150 0.00063 -0.00258 211 4YY -0.02180 -0.00513 0.01505 -0.00108 0.00374 212 4ZZ 0.00458 0.00212 -0.00187 -0.00003 -0.00228 213 4XY -0.00452 0.00318 0.00246 0.00720 0.00077 214 4XZ -0.00135 0.00197 -0.00019 0.00091 0.00052 215 4YZ -0.00399 0.01893 0.00180 0.00340 0.00063 126 127 128 129 130 126 3PZ 0.06508 127 4XX -0.00032 0.00216 128 4YY 0.00094 -0.00121 0.00226 129 4ZZ -0.00101 0.00096 -0.00070 0.00175 130 4XY -0.00220 0.00031 -0.00005 -0.00041 0.00399 131 4XZ -0.00093 -0.00018 0.00055 -0.00030 0.00030 132 4YZ -0.00669 -0.00020 -0.00005 0.00019 -0.00133 133 15 C 1S 0.00194 -0.00219 0.00072 -0.00143 0.00646 134 2S 0.00318 0.00274 -0.00218 0.00156 -0.01269 135 2PX 0.02863 -0.00886 -0.00119 0.00320 -0.00921 136 2PY -0.01188 -0.00458 0.01245 -0.00402 0.00642 137 2PZ 0.01311 -0.00338 0.00156 0.00816 0.01353 138 3S -0.01338 0.00509 -0.00454 0.00762 -0.02707 139 3PX 0.00970 -0.00291 -0.00123 0.00510 -0.00429 140 3PY -0.01034 0.00006 0.00171 0.00043 -0.00004 141 3PZ 0.00958 -0.00460 0.00118 0.00368 0.00744 142 4XX 0.00208 0.00014 -0.00037 0.00006 0.00012 143 4YY 0.00048 -0.00032 0.00057 -0.00031 0.00030 144 4ZZ -0.00256 -0.00003 -0.00014 -0.00002 0.00034 145 4XY -0.00283 0.00027 -0.00007 0.00058 0.00058 146 4XZ 0.00074 -0.00022 0.00046 -0.00004 0.00015 147 4YZ -0.00040 -0.00058 0.00001 0.00000 0.00025 148 16 C 1S 0.00020 0.00049 -0.00171 0.00078 -0.00007 149 2S -0.00323 -0.00100 0.00375 -0.00153 0.00020 150 2PX -0.01384 -0.00461 0.00081 0.00473 0.00396 151 2PY 0.00579 0.00250 -0.00901 0.00241 0.00166 152 2PZ 0.00973 -0.00626 -0.00073 0.00727 0.00656 153 3S 0.00258 -0.00271 0.00423 -0.00440 0.00752 154 3PX -0.00877 -0.00319 -0.00036 0.00316 0.00281 155 3PY -0.00647 0.00124 -0.00325 0.00204 -0.00494 156 3PZ -0.00165 -0.00422 0.00009 0.00483 0.00546 157 4XX 0.00054 0.00004 -0.00028 0.00009 0.00015 158 4YY 0.00015 0.00008 0.00007 0.00001 -0.00024 159 4ZZ 0.00001 0.00001 -0.00017 0.00002 0.00000 160 4XY -0.00154 0.00038 0.00005 -0.00016 0.00034 161 4XZ -0.00032 -0.00003 0.00012 -0.00002 0.00000 162 4YZ -0.00012 0.00014 -0.00007 -0.00031 -0.00059 163 17 C 1S 0.00134 -0.00036 -0.00033 -0.00057 0.00000 164 2S -0.00055 0.00059 -0.00019 0.00068 0.00005 165 2PX 0.00524 -0.00023 -0.00052 0.00073 -0.00175 166 2PY -0.00303 0.00004 0.00149 0.00006 0.00017 167 2PZ -0.00778 0.00076 -0.00074 0.00025 0.00253 168 3S -0.00755 0.00119 -0.00084 0.00168 0.00047 169 3PX -0.00436 -0.00036 0.00015 0.00038 -0.00307 170 3PY 0.00478 -0.00027 -0.00127 -0.00072 -0.00008 171 3PZ 0.00168 0.00077 -0.00034 -0.00004 0.00229 172 4XX 0.00077 0.00044 -0.00031 -0.00027 -0.00014 173 4YY -0.00034 -0.00031 0.00059 -0.00018 0.00001 174 4ZZ -0.00004 -0.00027 -0.00018 0.00027 0.00021 175 4XY -0.00229 0.00014 -0.00001 -0.00021 -0.00021 176 4XZ -0.00008 0.00004 0.00011 -0.00008 -0.00003 177 4YZ 0.00132 -0.00004 0.00006 -0.00014 -0.00039 178 18 H 1S -0.00424 0.00110 -0.00238 -0.00005 0.00076 179 2S -0.00688 0.00110 -0.00297 0.00016 0.00235 180 19 H 1S 0.00257 0.00369 -0.00366 0.00529 -0.00326 181 2S -0.00027 0.00222 -0.00283 0.00593 -0.00818 182 20 H 1S -0.00723 0.00562 -0.00409 0.00333 0.00171 183 2S -0.00844 0.00557 -0.00358 0.00300 0.00728 184 21 H 1S 0.01105 0.00002 -0.00227 0.00050 -0.00084 185 2S 0.01354 -0.00011 -0.00287 0.00097 -0.00294 186 22 O 1S -0.00013 0.00011 -0.00037 0.00009 -0.00001 187 2S -0.00041 -0.00033 0.00117 -0.00009 0.00011 188 2PX -0.02446 0.00038 0.00080 -0.00163 -0.00171 189 2PY 0.00298 0.00051 -0.00251 -0.00055 -0.00062 190 2PZ 0.01508 0.00012 0.00092 -0.00158 -0.00345 191 3S -0.00083 -0.00044 0.00210 -0.00001 -0.00021 192 3PX -0.01761 0.00029 0.00062 -0.00127 -0.00099 193 3PY 0.00140 0.00043 -0.00175 -0.00035 -0.00033 194 3PZ 0.01083 -0.00008 0.00078 -0.00119 -0.00293 195 4XX -0.00005 0.00002 -0.00008 -0.00006 -0.00002 196 4YY -0.00011 0.00001 0.00005 0.00005 0.00004 197 4ZZ 0.00008 -0.00006 -0.00005 -0.00001 0.00003 198 4XY 0.00089 -0.00002 -0.00002 0.00004 0.00011 199 4XZ -0.00008 -0.00001 0.00006 -0.00002 -0.00003 200 4YZ -0.00029 -0.00003 -0.00002 0.00006 0.00009 201 23 O 1S 0.00021 0.00574 -0.01313 0.00484 -0.00186 202 2S -0.00026 -0.01260 0.02427 -0.01075 0.00389 203 2PX 0.04579 -0.00987 0.00584 0.00077 -0.04610 204 2PY -0.01283 -0.01971 0.00717 -0.01850 0.00617 205 2PZ 0.15490 -0.00105 0.00382 -0.00526 0.01139 206 3S 0.00488 -0.01077 0.02861 -0.00834 0.00265 207 3PX 0.02806 -0.00667 0.00394 0.00099 -0.03299 208 3PY -0.00710 -0.01033 0.00361 -0.00959 0.00357 209 3PZ 0.09751 -0.00054 0.00258 -0.00344 0.00876 210 4XX 0.00009 0.00059 -0.00063 0.00050 -0.00031 211 4YY -0.00181 -0.00115 -0.00004 -0.00120 0.00047 212 4ZZ 0.00088 0.00046 -0.00050 0.00050 -0.00001 213 4XY 0.00340 -0.00050 0.00031 -0.00014 -0.00168 214 4XZ 0.00121 -0.00015 0.00025 -0.00014 -0.00011 215 4YZ 0.01001 -0.00017 0.00023 -0.00029 0.00004 131 132 133 134 135 131 4XZ 0.00058 132 4YZ 0.00020 0.00308 133 15 C 1S 0.00363 -0.00457 2.05488 134 2S -0.00648 0.00887 -0.06574 0.33152 135 2PX -0.00193 0.01243 0.00144 -0.00055 0.38170 136 2PY 0.00646 -0.00399 0.00125 -0.00083 0.00498 137 2PZ -0.00098 -0.00154 -0.00041 -0.00136 -0.05073 138 3S -0.00678 0.02058 -0.19989 0.32136 0.04481 139 3PX -0.00131 0.00744 -0.00666 0.00062 0.18111 140 3PY 0.00153 0.00022 -0.00006 -0.00777 -0.00920 141 3PZ -0.00073 0.00064 0.00308 0.00234 0.02286 142 4XX -0.00018 -0.00021 -0.01656 -0.00528 0.00036 143 4YY 0.00023 -0.00019 -0.01817 -0.00063 -0.00174 144 4ZZ 0.00007 -0.00005 -0.01420 -0.01001 -0.00184 145 4XY -0.00005 0.00015 -0.00168 0.00321 -0.00846 146 4XZ 0.00041 -0.00013 0.00448 -0.00901 0.00226 147 4YZ 0.00002 0.00063 0.00124 -0.00242 0.01509 148 16 C 1S -0.00051 -0.00016 0.01890 -0.03858 -0.00062 149 2S 0.00119 0.00034 -0.03858 0.06917 -0.00125 150 2PX -0.00077 0.00613 -0.00062 -0.00125 0.12712 151 2PY -0.00149 -0.00132 0.08565 -0.17172 0.00182 152 2PZ -0.00142 0.00633 0.00082 -0.00060 0.12932 153 3S 0.00251 -0.00452 0.02136 -0.01375 0.01266 154 3PX -0.00050 0.00448 0.00636 -0.00664 0.08068 155 3PY -0.00099 0.00429 0.00238 -0.01747 0.01572 156 3PZ -0.00075 0.00448 -0.00393 0.00164 0.08811 157 4XX -0.00003 0.00004 0.00298 -0.00662 0.00096 158 4YY -0.00013 0.00019 -0.00578 0.01027 0.00025 159 4ZZ -0.00002 -0.00014 0.00263 -0.00570 -0.00138 160 4XY 0.00006 -0.00051 -0.00006 -0.00005 -0.01407 161 4XZ 0.00002 0.00009 -0.00085 0.00197 0.00036 162 4YZ 0.00004 -0.00001 0.00009 0.00004 0.00051 163 17 C 1S -0.00011 0.00019 -0.00347 0.00792 0.00473 164 2S -0.00003 -0.00012 0.00930 -0.01915 -0.00996 165 2PX -0.00036 0.00235 -0.00841 0.02042 0.02132 166 2PY 0.00019 0.00067 -0.01017 0.02553 0.01214 167 2PZ 0.00002 0.00075 0.00640 -0.01564 0.00272 168 3S -0.00076 -0.00128 0.00123 -0.01520 -0.04435 169 3PX -0.00011 0.00244 -0.00315 0.00891 0.02188 170 3PY -0.00007 0.00086 0.00832 -0.01165 0.00829 171 3PZ -0.00008 -0.00132 0.00020 -0.00323 -0.01384 172 4XX 0.00004 0.00004 0.00049 -0.00100 -0.00461 173 4YY 0.00011 -0.00006 -0.00171 0.00375 0.00081 174 4ZZ -0.00008 0.00014 0.00078 -0.00153 0.00473 175 4XY 0.00003 -0.00039 0.00007 -0.00020 -0.00396 176 4XZ 0.00001 0.00002 -0.00051 0.00119 -0.00077 177 4YZ -0.00002 -0.00059 0.00016 -0.00034 -0.00613 178 18 H 1S 0.00023 0.00039 0.00027 -0.00066 0.00287 179 2S -0.00010 -0.00064 0.00433 -0.00900 0.00426 180 19 H 1S -0.00554 -0.00078 -0.00639 0.01466 0.02292 181 2S -0.00383 0.00403 -0.01322 0.02771 0.05698 182 20 H 1S -0.00408 -0.00140 -0.06142 0.11783 -0.18292 183 2S -0.00228 -0.00557 -0.01091 0.02323 -0.15807 184 21 H 1S -0.00031 0.00019 0.01313 -0.02727 0.01364 185 2S -0.00078 0.00120 0.01514 -0.02757 0.03304 186 22 O 1S 0.00004 -0.00003 0.00122 -0.00293 -0.00147 187 2S 0.00006 0.00016 -0.00272 0.00603 0.00279 188 2PX 0.00025 -0.00396 0.00834 -0.01540 -0.03668 189 2PY -0.00041 -0.00086 0.00778 -0.01970 -0.01373 190 2PZ 0.00021 -0.00476 -0.00733 0.01343 -0.04981 191 3S 0.00024 -0.00032 -0.00776 0.01737 0.01030 192 3PX 0.00021 -0.00339 0.00647 -0.01288 -0.03235 193 3PY -0.00032 -0.00055 0.00565 -0.01460 -0.01313 194 3PZ 0.00016 -0.00357 -0.00521 0.01054 -0.03536 195 4XX -0.00001 0.00000 0.00021 -0.00083 -0.00111 196 4YY 0.00001 0.00006 0.00009 -0.00009 0.00027 197 4ZZ -0.00001 0.00002 0.00014 -0.00068 -0.00025 198 4XY 0.00000 0.00012 0.00006 -0.00017 0.00107 199 4XZ 0.00001 -0.00004 -0.00021 0.00042 -0.00046 200 4YZ -0.00001 0.00018 -0.00003 -0.00001 0.00203 201 23 O 1S -0.00151 -0.00129 -0.00270 0.00604 0.00179 202 2S 0.00334 0.00263 0.00753 -0.01592 -0.00820 203 2PX -0.00276 0.01104 -0.02529 0.05228 0.03851 204 2PY 0.00391 0.00314 0.01467 -0.02539 -0.03088 205 2PZ -0.00290 -0.03894 0.02057 -0.03877 -0.04693 206 3S 0.00359 0.00196 0.00159 -0.00253 0.01529 207 3PX -0.00200 0.00847 -0.02071 0.04400 0.03190 208 3PY 0.00230 0.00160 0.00710 -0.01222 -0.01194 209 3PZ -0.00196 -0.02730 0.01624 -0.03181 -0.04437 210 4XX -0.00007 -0.00001 0.00015 -0.00036 -0.00208 211 4YY 0.00010 0.00031 0.00062 -0.00111 -0.00067 212 4ZZ -0.00009 -0.00028 0.00015 -0.00053 -0.00038 213 4XY -0.00012 0.00003 0.00019 -0.00020 -0.00159 214 4XZ 0.00004 -0.00014 0.00002 -0.00024 0.00033 215 4YZ -0.00018 -0.00172 0.00003 0.00016 0.00215 136 137 138 139 140 136 2PY 0.44170 137 2PZ -0.00246 0.35287 138 3S -0.08109 -0.03012 0.46783 139 3PX -0.01415 0.02128 0.04109 0.10016 140 3PY 0.11831 0.00422 0.01287 -0.00446 0.06109 141 3PZ 0.00793 0.19447 -0.01934 0.03213 0.00221 142 4XX -0.01190 0.00350 -0.00228 0.00088 -0.00229 143 4YY 0.01162 0.00145 -0.00436 -0.00159 0.00138 144 4ZZ -0.00669 -0.00204 -0.00699 -0.00080 -0.00101 145 4XY -0.00095 0.01510 0.00363 -0.00134 0.00024 146 4XZ 0.01010 -0.00008 -0.00916 0.00089 0.00227 147 4YZ 0.00109 0.00056 -0.00244 0.00704 -0.00017 148 16 C 1S -0.08565 0.00082 0.02136 0.00636 -0.00238 149 2S 0.17172 -0.00060 -0.01375 -0.00664 0.01747 150 2PX -0.00182 0.12932 0.01266 0.08068 -0.01572 151 2PY -0.32412 -0.00262 -0.13543 0.01317 -0.09419 152 2PZ 0.00261 0.20356 -0.00305 0.09021 0.01012 153 3S 0.13543 -0.00305 -0.17340 -0.00774 -0.04148 154 3PX -0.01318 0.09021 -0.00774 0.05110 -0.01476 155 3PY -0.09419 -0.01012 0.04148 0.01476 -0.00720 156 3PZ 0.01109 0.13410 0.00310 0.06202 0.00816 157 4XX -0.01058 0.00177 -0.00509 0.00095 -0.00288 158 4YY 0.00542 -0.00018 0.01095 -0.00008 0.00236 159 4ZZ -0.00909 -0.00095 -0.00364 -0.00045 -0.00206 160 4XY -0.00156 0.00061 0.00032 -0.00685 0.00018 161 4XZ 0.00292 0.00076 0.00387 0.00013 0.00167 162 4YZ 0.00080 -0.01379 -0.00040 -0.00166 -0.00009 163 17 C 1S 0.01413 -0.00308 -0.01350 -0.00469 0.00010 164 2S -0.03815 0.00928 0.00059 0.00188 -0.01153 165 2PX 0.02484 0.00256 0.01132 0.00846 0.00453 166 2PY 0.03902 -0.00519 0.07902 0.00757 0.04059 167 2PZ -0.02461 0.01887 0.00366 0.00009 -0.00082 168 3S -0.05202 0.02570 0.00232 -0.00939 -0.01716 169 3PX 0.01060 -0.01401 0.01710 0.00980 -0.00159 170 3PY -0.02478 -0.00008 -0.01666 0.00139 -0.00919 171 3PZ -0.00579 0.00973 0.00258 -0.00877 0.00647 172 4XX -0.00250 -0.00626 -0.00272 -0.00319 -0.00124 173 4YY 0.00901 -0.00073 0.00423 -0.00036 0.00325 174 4ZZ -0.00241 0.00727 -0.00440 0.00316 -0.00204 175 4XY 0.00166 -0.00656 -0.00752 -0.00281 -0.00494 176 4XZ 0.00149 -0.00142 0.00251 -0.00050 0.00099 177 4YZ -0.00132 -0.00633 0.00452 -0.00448 0.00429 178 18 H 1S 0.00590 0.00480 -0.00100 -0.00232 0.00508 179 2S 0.00108 0.01707 -0.02671 0.00082 -0.00409 180 19 H 1S -0.00990 -0.01411 0.03914 0.02040 -0.01605 181 2S -0.02701 -0.02681 0.07750 0.03932 -0.01376 182 20 H 1S -0.14460 0.13429 0.11500 -0.06569 -0.03411 183 2S -0.10740 0.11584 0.00756 -0.05597 -0.02316 184 21 H 1S -0.04218 -0.01246 -0.04955 0.00688 -0.01692 185 2S -0.07027 -0.02575 -0.02141 0.01551 -0.01493 186 22 O 1S -0.00574 0.00026 -0.00266 0.00265 -0.00273 187 2S 0.01165 0.00116 0.01453 -0.00389 0.00852 188 2PX -0.02463 -0.05038 -0.10148 -0.02362 -0.07605 189 2PY -0.03343 -0.01040 -0.08468 -0.01690 -0.03860 190 2PZ 0.03074 -0.05725 0.09582 -0.04284 0.07744 191 3S 0.04464 -0.00839 0.00852 -0.00453 0.01302 192 3PX -0.02009 -0.03624 -0.07594 -0.02004 -0.05447 193 3PY -0.02927 -0.00501 -0.04885 -0.01185 -0.02439 194 3PZ 0.02523 -0.04585 0.06623 -0.03084 0.05459 195 4XX -0.00185 -0.00052 -0.00226 -0.00065 -0.00142 196 4YY -0.00090 0.00104 0.00434 0.00105 0.00142 197 4ZZ -0.00132 0.00097 -0.00094 -0.00015 -0.00036 198 4XY -0.00013 0.00198 0.00317 0.00079 0.00254 199 4XZ 0.00090 -0.00053 0.00053 -0.00040 0.00035 200 4YZ -0.00032 0.00215 -0.00432 0.00178 -0.00320 201 23 O 1S -0.01109 -0.00263 0.00426 -0.00577 -0.00008 202 2S 0.02505 0.00973 -0.02169 0.00512 -0.00672 203 2PX -0.06073 -0.04397 0.22511 0.02071 0.02889 204 2PY 0.04290 0.02796 -0.12408 -0.06500 -0.02953 205 2PZ 0.05380 0.01081 -0.21196 -0.05072 -0.03397 206 3S 0.06119 -0.00631 0.00354 0.02612 0.00875 207 3PX -0.05172 -0.04426 0.16932 0.01694 0.01683 208 3PY 0.03593 0.01504 -0.06862 -0.03364 -0.01254 209 3PZ 0.04590 0.00444 -0.15312 -0.04066 -0.01907 210 4XX -0.00187 0.00068 0.00261 -0.00018 0.00076 211 4YY -0.00141 -0.00007 -0.00740 -0.00399 -0.00271 212 4ZZ -0.00129 0.00155 0.00038 0.00060 0.00003 213 4XY 0.00080 0.00243 0.00496 -0.00081 0.00268 214 4XZ 0.00132 -0.00033 -0.00067 -0.00006 0.00021 215 4YZ -0.00051 -0.00044 -0.00700 -0.00052 -0.00316 141 142 143 144 145 141 3PZ 0.11851 142 4XX 0.00164 0.00077 143 4YY 0.00107 -0.00023 0.00077 144 4ZZ -0.00146 0.00041 -0.00008 0.00068 145 4XY 0.00702 0.00005 -0.00002 -0.00007 0.00134 146 4XZ 0.00016 -0.00021 0.00032 0.00002 -0.00018 147 4YZ 0.00284 -0.00004 0.00002 0.00006 -0.00052 148 16 C 1S -0.00393 0.00298 -0.00578 0.00263 0.00006 149 2S 0.00164 -0.00662 0.01027 -0.00570 0.00005 150 2PX 0.08811 0.00096 0.00025 -0.00138 0.01407 151 2PY -0.01109 0.01058 -0.00542 0.00909 -0.00156 152 2PZ 0.13410 0.00177 -0.00018 -0.00095 -0.00061 153 3S 0.00310 -0.00509 0.01095 -0.00364 -0.00032 154 3PX 0.06202 0.00095 -0.00008 -0.00045 0.00685 155 3PY -0.00817 0.00288 -0.00236 0.00206 0.00018 156 3PZ 0.08889 0.00067 0.00016 -0.00062 0.00177 157 4XX 0.00067 0.00041 -0.00024 0.00031 -0.00003 158 4YY 0.00016 -0.00024 0.00006 -0.00033 0.00001 159 4ZZ -0.00062 0.00031 -0.00033 0.00035 -0.00009 160 4XY -0.00177 0.00003 -0.00001 0.00009 0.00076 161 4XZ 0.00050 -0.00005 -0.00016 -0.00006 0.00013 162 4YZ -0.00797 -0.00016 0.00000 0.00007 -0.00092 163 17 C 1S 0.00253 -0.00031 -0.00041 -0.00024 -0.00179 164 2S 0.00123 0.00102 0.00092 0.00078 0.00367 165 2PX -0.00296 -0.00042 -0.00184 -0.00065 -0.00465 166 2PY -0.00269 -0.00015 -0.00210 0.00005 -0.00434 167 2PZ -0.00016 0.00105 0.00158 0.00000 0.00604 168 3S 0.00367 0.00102 0.00034 0.00121 0.00524 169 3PX -0.01086 -0.00054 -0.00006 -0.00041 -0.00055 170 3PY 0.00195 0.00101 -0.00053 0.00054 -0.00219 171 3PZ -0.00165 0.00054 0.00015 0.00001 0.00154 172 4XX -0.00422 0.00004 0.00008 0.00001 -0.00038 173 4YY 0.00009 -0.00028 0.00007 -0.00017 -0.00005 174 4ZZ 0.00483 0.00009 0.00001 0.00002 0.00016 175 4XY -0.00546 -0.00015 0.00024 0.00000 0.00034 176 4XZ -0.00075 -0.00003 -0.00013 -0.00002 -0.00006 177 4YZ -0.00448 -0.00004 -0.00019 0.00014 -0.00051 178 18 H 1S 0.00373 0.00043 -0.00004 0.00002 0.00076 179 2S 0.01024 0.00090 0.00003 0.00018 0.00236 180 19 H 1S -0.01130 -0.00153 0.00084 -0.00049 -0.00105 181 2S -0.01564 -0.00142 -0.00035 -0.00060 -0.00164 182 20 H 1S 0.04929 0.00343 -0.00271 -0.00090 0.01118 183 2S 0.04019 0.00395 -0.00247 0.00118 0.00994 184 21 H 1S -0.00639 0.00097 0.00158 0.00107 -0.00802 185 2S -0.01092 0.00181 -0.00105 0.00170 -0.00787 186 22 O 1S -0.00249 0.00019 0.00023 0.00014 -0.00004 187 2S 0.00537 -0.00025 -0.00033 -0.00014 -0.00010 188 2PX -0.05373 0.00033 -0.00031 0.00138 0.00192 189 2PY -0.00735 0.00016 0.00095 -0.00003 0.00149 190 2PZ -0.04532 -0.00146 0.00010 -0.00022 -0.00269 191 3S 0.00174 -0.00152 0.00031 -0.00118 0.00085 192 3PX -0.03835 0.00027 -0.00010 0.00108 0.00171 193 3PY -0.00449 0.00042 0.00038 0.00029 0.00072 194 3PZ -0.03396 -0.00127 0.00001 -0.00015 -0.00243 195 4XX -0.00059 0.00005 -0.00001 0.00005 -0.00008 196 4YY 0.00060 0.00008 -0.00007 0.00007 -0.00005 197 4ZZ 0.00051 0.00003 0.00000 0.00003 -0.00001 198 4XY 0.00232 0.00001 0.00006 -0.00003 0.00005 199 4XZ -0.00045 -0.00003 0.00001 -0.00002 0.00002 200 4YZ 0.00212 0.00002 -0.00003 -0.00001 -0.00004 201 23 O 1S 0.00352 -0.00017 -0.00116 -0.00023 0.00032 202 2S -0.00198 0.00020 0.00225 0.00064 -0.00043 203 2PX -0.02783 0.00346 -0.00335 -0.00240 -0.00346 204 2PY 0.05114 -0.00335 0.00816 0.00087 -0.00351 205 2PZ 0.00286 0.00216 0.00486 -0.00470 -0.00642 206 3S -0.01697 -0.00027 0.00149 -0.00050 0.00011 207 3PX -0.02692 0.00206 -0.00264 -0.00152 -0.00287 208 3PY 0.02879 -0.00220 0.00461 0.00018 -0.00172 209 3PZ -0.00110 0.00112 0.00336 -0.00276 -0.00397 210 4XX -0.00044 0.00008 -0.00015 0.00000 0.00013 211 4YY 0.00269 -0.00011 0.00038 0.00017 -0.00033 212 4ZZ 0.00037 0.00005 -0.00009 -0.00002 0.00009 213 4XY 0.00104 0.00027 -0.00005 -0.00014 -0.00002 214 4XZ -0.00016 0.00001 0.00005 -0.00005 -0.00008 215 4YZ 0.00011 0.00018 0.00021 -0.00036 -0.00050 146 147 148 149 150 146 4XZ 0.00063 147 4YZ 0.00015 0.00105 148 16 C 1S -0.00085 -0.00009 2.05488 149 2S 0.00197 -0.00004 -0.06574 0.33152 150 2PX 0.00036 -0.00051 0.00144 -0.00055 0.38170 151 2PY -0.00292 0.00080 -0.00125 0.00083 -0.00498 152 2PZ 0.00076 0.01379 -0.00041 -0.00136 -0.05073 153 3S 0.00387 0.00040 -0.19989 0.32136 0.04481 154 3PX 0.00013 0.00166 -0.00666 0.00062 0.18111 155 3PY -0.00167 -0.00009 0.00006 0.00777 0.00920 156 3PZ 0.00050 0.00797 0.00308 0.00234 0.02286 157 4XX -0.00005 0.00016 -0.01656 -0.00528 0.00036 158 4YY -0.00016 0.00000 -0.01817 -0.00063 -0.00175 159 4ZZ -0.00006 -0.00007 -0.01420 -0.01001 -0.00184 160 4XY -0.00013 -0.00092 0.00168 -0.00321 0.00846 161 4XZ 0.00004 -0.00002 0.00448 -0.00901 0.00226 162 4YZ 0.00002 0.00020 -0.00124 0.00242 -0.01509 163 17 C 1S 0.00004 0.00137 0.01366 -0.02877 -0.04921 164 2S -0.00022 -0.00282 -0.02700 0.04998 0.10326 165 2PX 0.00052 0.00598 0.04817 -0.09787 -0.11265 166 2PY 0.00063 0.00382 0.03450 -0.06310 -0.11026 167 2PZ -0.00038 -0.00123 -0.03791 0.07828 0.15541 168 3S -0.00079 -0.00403 0.00313 0.01924 0.09754 169 3PX 0.00048 0.00136 -0.00377 -0.00032 0.00640 170 3PY -0.00002 0.00178 0.00176 -0.01530 -0.04173 171 3PZ -0.00032 0.00012 0.00194 0.00318 0.02863 172 4XX -0.00003 -0.00014 -0.00219 0.00274 -0.00886 173 4YY 0.00012 0.00007 0.00072 -0.00218 -0.00119 174 4ZZ -0.00002 0.00031 -0.00143 0.00156 0.00320 175 4XY 0.00000 -0.00059 -0.00646 0.01269 0.00921 176 4XZ 0.00002 -0.00004 0.00363 -0.00648 -0.00193 177 4YZ -0.00009 -0.00001 0.00457 -0.00887 -0.01243 178 18 H 1S -0.00007 -0.00055 -0.00639 0.01466 0.02292 179 2S -0.00037 -0.00122 -0.01322 0.02771 0.05698 180 19 H 1S 0.00104 0.00096 0.00027 -0.00066 0.00287 181 2S 0.00060 0.00200 0.00433 -0.00900 0.00426 182 20 H 1S -0.00781 -0.00850 0.01313 -0.02727 0.01364 183 2S -0.00490 -0.00750 0.01514 -0.02757 0.03304 184 21 H 1S -0.00008 0.00576 -0.06142 0.11783 -0.18292 185 2S -0.00056 0.00558 -0.01091 0.02323 -0.15807 186 22 O 1S -0.00010 -0.00004 -0.00270 0.00604 0.00179 187 2S 0.00030 0.00032 0.00753 -0.01592 -0.00820 188 2PX -0.00032 -0.00296 -0.02529 0.05228 0.03851 189 2PY -0.00070 -0.00169 -0.01467 0.02539 0.03088 190 2PZ -0.00031 0.00014 0.02057 -0.03877 -0.04693 191 3S 0.00046 -0.00040 0.00159 -0.00253 0.01529 192 3PX -0.00037 -0.00275 -0.02071 0.04400 0.03190 193 3PY -0.00049 -0.00100 -0.00710 0.01222 0.01194 194 3PZ -0.00017 0.00002 0.01624 -0.03181 -0.04437 195 4XX -0.00002 0.00001 0.00015 -0.00036 -0.00208 196 4YY 0.00002 0.00004 0.00062 -0.00111 -0.00067 197 4ZZ -0.00001 0.00005 0.00015 -0.00053 -0.00038 198 4XY 0.00000 -0.00004 -0.00019 0.00020 0.00159 199 4XZ 0.00001 -0.00002 0.00002 -0.00024 0.00033 200 4YZ 0.00003 0.00002 -0.00003 -0.00016 -0.00215 201 23 O 1S -0.00005 -0.00036 0.00122 -0.00293 -0.00147 202 2S 0.00055 0.00069 -0.00272 0.00603 0.00279 203 2PX 0.00003 -0.00619 0.00834 -0.01540 -0.03668 204 2PY 0.00276 0.00512 -0.00778 0.01970 0.01373 205 2PZ 0.00256 -0.00479 -0.00733 0.01343 -0.04981 206 3S 0.00060 -0.00032 -0.00776 0.01737 0.01030 207 3PX -0.00031 -0.00400 0.00647 -0.01288 -0.03235 208 3PY 0.00174 0.00281 -0.00565 0.01460 0.01313 209 3PZ 0.00173 -0.00364 -0.00521 0.01054 -0.03536 210 4XX 0.00000 -0.00020 0.00021 -0.00083 -0.00111 211 4YY 0.00000 0.00046 0.00009 -0.00009 0.00027 212 4ZZ 0.00002 -0.00008 0.00014 -0.00068 -0.00025 213 4XY 0.00008 -0.00043 -0.00006 0.00017 -0.00107 214 4XZ 0.00005 -0.00003 -0.00021 0.00042 -0.00046 215 4YZ 0.00012 -0.00014 0.00003 0.00001 -0.00203 151 152 153 154 155 151 2PY 0.44170 152 2PZ 0.00246 0.35287 153 3S 0.08109 -0.03012 0.46783 154 3PX 0.01415 0.02128 0.04109 0.10016 155 3PY 0.11831 -0.00422 -0.01287 0.00446 0.06109 156 3PZ -0.00793 0.19447 -0.01934 0.03213 -0.00221 157 4XX 0.01189 0.00350 -0.00228 0.00089 0.00229 158 4YY -0.01162 0.00145 -0.00436 -0.00159 -0.00138 159 4ZZ 0.00669 -0.00204 -0.00699 -0.00080 0.00101 160 4XY -0.00095 -0.01510 -0.00363 0.00134 0.00024 161 4XZ -0.01010 -0.00008 -0.00916 0.00089 -0.00227 162 4YZ 0.00109 -0.00056 0.00244 -0.00704 -0.00017 163 17 C 1S -0.03670 0.03827 0.02032 0.00493 -0.01843 164 2S 0.08129 -0.07860 -0.00675 0.00877 0.02641 165 2PX -0.11148 0.15174 -0.12988 -0.04523 -0.06746 166 2PY -0.07556 0.09182 -0.11506 -0.06921 0.02007 167 2PZ 0.09259 -0.03236 0.08804 0.07049 0.05630 168 3S 0.06809 -0.07757 -0.01842 0.01281 0.01542 169 3PX -0.01745 0.02279 0.00181 0.00269 -0.00600 170 3PY 0.02334 0.03680 0.01046 -0.00474 0.00181 171 3PZ 0.01188 0.01311 -0.01338 0.00970 0.01033 172 4XX 0.00458 -0.00338 0.00509 -0.00291 -0.00006 173 4YY -0.01245 0.00156 -0.00454 -0.00123 -0.00171 174 4ZZ 0.00402 0.00816 0.00762 0.00510 -0.00043 175 4XY 0.00642 -0.01353 0.02707 0.00429 -0.00004 176 4XZ -0.00646 -0.00098 -0.00678 -0.00131 -0.00153 177 4YZ -0.00399 0.00154 -0.02058 -0.00744 0.00022 178 18 H 1S 0.00990 -0.01411 0.03914 0.02040 0.01605 179 2S 0.02701 -0.02681 0.07750 0.03932 0.01376 180 19 H 1S -0.00590 0.00480 -0.00100 -0.00232 -0.00508 181 2S -0.00108 0.01707 -0.02671 0.00082 0.00409 182 20 H 1S 0.04218 -0.01246 -0.04955 0.00688 0.01692 183 2S 0.07027 -0.02575 -0.02141 0.01551 0.01493 184 21 H 1S 0.14460 0.13429 0.11500 -0.06569 0.03411 185 2S 0.10740 0.11584 0.00756 -0.05597 0.02316 186 22 O 1S 0.01109 -0.00263 0.00426 -0.00577 0.00008 187 2S -0.02504 0.00973 -0.02170 0.00512 0.00672 188 2PX 0.06074 -0.04397 0.22511 0.02071 -0.02889 189 2PY 0.04290 -0.02796 0.12408 0.06499 -0.02953 190 2PZ -0.05380 0.01081 -0.21196 -0.05072 0.03397 191 3S -0.06119 -0.00631 0.00354 0.02612 -0.00875 192 3PX 0.05172 -0.04426 0.16932 0.01694 -0.01683 193 3PY 0.03593 -0.01504 0.06862 0.03363 -0.01254 194 3PZ -0.04590 0.00444 -0.15312 -0.04066 0.01907 195 4XX 0.00187 0.00068 0.00261 -0.00018 -0.00076 196 4YY 0.00141 -0.00007 -0.00740 -0.00399 0.00271 197 4ZZ 0.00129 0.00155 0.00038 0.00060 -0.00003 198 4XY 0.00080 -0.00243 -0.00496 0.00081 0.00268 199 4XZ -0.00132 -0.00033 -0.00067 -0.00006 -0.00021 200 4YZ -0.00051 0.00044 0.00700 0.00052 -0.00316 201 23 O 1S 0.00574 0.00026 -0.00266 0.00265 0.00273 202 2S -0.01165 0.00116 0.01453 -0.00389 -0.00852 203 2PX 0.02463 -0.05038 -0.10148 -0.02362 0.07605 204 2PY -0.03343 0.01040 0.08468 0.01690 -0.03860 205 2PZ -0.03074 -0.05725 0.09582 -0.04284 -0.07744 206 3S -0.04464 -0.00839 0.00852 -0.00453 -0.01302 207 3PX 0.02009 -0.03624 -0.07594 -0.02004 0.05447 208 3PY -0.02927 0.00501 0.04885 0.01185 -0.02439 209 3PZ -0.02522 -0.04585 0.06623 -0.03084 -0.05459 210 4XX 0.00185 -0.00052 -0.00226 -0.00065 0.00142 211 4YY 0.00090 0.00104 0.00434 0.00105 -0.00142 212 4ZZ 0.00132 0.00097 -0.00094 -0.00015 0.00036 213 4XY -0.00013 -0.00198 -0.00317 -0.00079 0.00254 214 4XZ -0.00090 -0.00053 0.00053 -0.00040 -0.00035 215 4YZ -0.00032 -0.00215 0.00432 -0.00178 -0.00320 156 157 158 159 160 156 3PZ 0.11851 157 4XX 0.00164 0.00077 158 4YY 0.00107 -0.00023 0.00077 159 4ZZ -0.00146 0.00041 -0.00008 0.00068 160 4XY -0.00702 -0.00005 0.00002 0.00007 0.00134 161 4XZ 0.00016 -0.00021 0.00032 0.00002 0.00018 162 4YZ -0.00284 0.00004 -0.00002 -0.00006 -0.00052 163 17 C 1S -0.00182 -0.00233 0.00018 -0.00119 -0.00425 164 2S -0.00813 0.00390 -0.00194 0.00138 0.00820 165 2PX 0.06915 0.00529 0.00090 -0.00089 -0.00617 166 2PY 0.05467 -0.00378 0.00945 -0.00046 -0.00135 167 2PZ -0.00548 0.00294 -0.00071 -0.00620 0.00744 168 3S -0.01307 0.00314 -0.00254 0.00151 0.00848 169 3PX 0.01217 0.00151 0.00033 -0.00160 -0.00044 170 3PY 0.00735 0.00064 -0.00059 0.00032 -0.00317 171 3PZ 0.00958 0.00208 0.00048 -0.00256 0.00283 172 4XX -0.00460 0.00014 -0.00032 -0.00003 -0.00027 173 4YY 0.00118 -0.00037 0.00057 -0.00014 0.00007 174 4ZZ 0.00368 0.00006 -0.00031 -0.00002 -0.00058 175 4XY -0.00744 -0.00012 -0.00030 -0.00034 0.00058 176 4XZ -0.00073 -0.00018 0.00023 0.00007 0.00005 177 4YZ -0.00064 0.00021 0.00019 0.00005 0.00015 178 18 H 1S -0.01130 -0.00153 0.00084 -0.00049 0.00105 179 2S -0.01564 -0.00142 -0.00035 -0.00060 0.00164 180 19 H 1S 0.00373 0.00043 -0.00004 0.00002 -0.00076 181 2S 0.01024 0.00090 0.00003 0.00018 -0.00236 182 20 H 1S -0.00639 0.00097 0.00158 0.00107 0.00802 183 2S -0.01092 0.00181 -0.00105 0.00170 0.00787 184 21 H 1S 0.04929 0.00343 -0.00271 -0.00090 -0.01118 185 2S 0.04019 0.00395 -0.00247 0.00118 -0.00994 186 22 O 1S 0.00352 -0.00017 -0.00116 -0.00023 -0.00032 187 2S -0.00198 0.00020 0.00225 0.00064 0.00043 188 2PX -0.02783 0.00346 -0.00335 -0.00240 0.00346 189 2PY -0.05114 0.00335 -0.00816 -0.00087 -0.00351 190 2PZ 0.00286 0.00216 0.00486 -0.00470 0.00642 191 3S -0.01697 -0.00027 0.00149 -0.00050 -0.00011 192 3PX -0.02692 0.00206 -0.00264 -0.00152 0.00287 193 3PY -0.02879 0.00220 -0.00461 -0.00018 -0.00172 194 3PZ -0.00110 0.00112 0.00336 -0.00276 0.00397 195 4XX -0.00044 0.00008 -0.00015 0.00000 -0.00013 196 4YY 0.00269 -0.00011 0.00038 0.00017 0.00033 197 4ZZ 0.00037 0.00005 -0.00009 -0.00002 -0.00009 198 4XY -0.00104 -0.00027 0.00005 0.00014 -0.00002 199 4XZ -0.00016 0.00001 0.00005 -0.00005 0.00008 200 4YZ -0.00011 -0.00018 -0.00021 0.00036 -0.00050 201 23 O 1S -0.00249 0.00019 0.00023 0.00014 0.00004 202 2S 0.00537 -0.00025 -0.00033 -0.00014 0.00010 203 2PX -0.05373 0.00033 -0.00031 0.00138 -0.00192 204 2PY 0.00735 -0.00016 -0.00095 0.00003 0.00149 205 2PZ -0.04531 -0.00146 0.00010 -0.00022 0.00269 206 3S 0.00174 -0.00152 0.00031 -0.00118 -0.00085 207 3PX -0.03835 0.00027 -0.00010 0.00108 -0.00171 208 3PY 0.00449 -0.00042 -0.00038 -0.00029 0.00072 209 3PZ -0.03396 -0.00127 0.00001 -0.00015 0.00243 210 4XX -0.00059 0.00005 -0.00001 0.00005 0.00008 211 4YY 0.00060 0.00008 -0.00007 0.00007 0.00005 212 4ZZ 0.00051 0.00003 0.00000 0.00003 0.00001 213 4XY -0.00232 -0.00001 -0.00006 0.00003 0.00005 214 4XZ -0.00045 -0.00003 0.00001 -0.00002 -0.00002 215 4YZ -0.00212 -0.00002 0.00003 0.00001 -0.00004 161 162 163 164 165 161 4XZ 0.00063 162 4YZ -0.00015 0.00105 163 17 C 1S 0.00326 0.00335 2.05381 164 2S -0.00649 -0.00643 -0.07109 0.35855 165 2PX 0.00256 0.00737 -0.00061 0.00241 0.37725 166 2PY 0.00683 0.00084 0.00350 -0.00756 -0.01133 167 2PZ -0.00006 -0.00206 0.00102 -0.00365 -0.06931 168 3S -0.00436 -0.00592 -0.14982 0.25478 0.00259 169 3PX 0.00077 0.00210 -0.00725 0.00851 0.08621 170 3PY 0.00068 0.00219 0.06048 -0.08069 0.01005 171 3PZ 0.00074 0.00040 -0.00431 0.00555 0.04163 172 4XX -0.00022 0.00058 -0.01269 -0.01195 0.00171 173 4YY 0.00046 -0.00001 -0.01530 -0.00363 -0.00015 174 4ZZ -0.00004 0.00000 -0.01103 -0.01542 -0.00107 175 4XY -0.00015 0.00025 0.00044 -0.00159 -0.00643 176 4XZ 0.00041 -0.00002 0.00244 -0.00539 -0.00059 177 4YZ 0.00013 0.00063 0.00044 -0.00127 0.01374 178 18 H 1S 0.00104 -0.00096 0.01078 -0.02379 -0.03953 179 2S 0.00060 -0.00200 0.01881 -0.03589 -0.07197 180 19 H 1S -0.00007 0.00055 -0.00725 0.01682 0.02828 181 2S -0.00037 0.00122 -0.01020 0.02150 0.04407 182 20 H 1S -0.00008 -0.00576 -0.00877 0.01999 -0.02590 183 2S -0.00056 -0.00558 -0.01160 0.02373 -0.04198 184 21 H 1S -0.00781 0.00850 0.01124 -0.02469 0.03847 185 2S -0.00490 0.00750 0.02036 -0.03633 0.07441 186 22 O 1S -0.00005 0.00036 0.01187 -0.01328 0.00379 187 2S 0.00055 -0.00069 -0.02038 0.02305 -0.00908 188 2PX 0.00003 0.00619 -0.00967 0.01823 0.14980 189 2PY -0.00276 0.00512 0.10128 -0.21849 0.05412 190 2PZ 0.00256 0.00479 -0.00765 0.01501 0.11120 191 3S 0.00060 0.00032 -0.01281 -0.03473 0.00167 192 3PX -0.00031 0.00400 -0.00492 0.00836 0.07892 193 3PY -0.00174 0.00281 0.05718 -0.11196 0.02857 194 3PZ 0.00173 0.00364 -0.00424 0.00748 0.07937 195 4XX 0.00000 0.00020 0.00412 -0.00509 0.00274 196 4YY 0.00000 -0.00046 -0.00903 0.01950 -0.00501 197 4ZZ 0.00002 0.00008 0.00413 -0.00502 0.00068 198 4XY -0.00008 -0.00043 0.00130 -0.00250 -0.01604 199 4XZ 0.00005 0.00003 -0.00009 0.00028 0.00147 200 4YZ -0.00012 -0.00014 0.00107 -0.00185 -0.00316 201 23 O 1S -0.00010 0.00004 -0.00036 0.00095 0.00021 202 2S 0.00030 -0.00032 -0.00070 0.00008 -0.00094 203 2PX -0.00032 0.00296 -0.00027 0.00025 -0.00205 204 2PY 0.00070 -0.00169 -0.00207 0.00770 -0.00056 205 2PZ -0.00031 -0.00014 -0.00096 0.00090 -0.00949 206 3S 0.00046 0.00040 0.01007 -0.01475 0.00051 207 3PX -0.00037 0.00275 0.00026 -0.00055 0.00216 208 3PY 0.00049 -0.00100 0.00089 0.00135 -0.00026 209 3PZ -0.00017 -0.00002 -0.00059 0.00012 -0.00879 210 4XX -0.00002 -0.00001 -0.00071 0.00073 -0.00024 211 4YY 0.00002 -0.00004 -0.00048 0.00073 0.00005 212 4ZZ -0.00001 -0.00005 -0.00064 0.00056 -0.00012 213 4XY 0.00000 -0.00004 0.00000 0.00007 -0.00076 214 4XZ 0.00001 0.00002 0.00013 -0.00025 -0.00009 215 4YZ -0.00003 0.00002 -0.00006 0.00018 -0.00018 166 167 168 169 170 166 2PY 0.42606 167 2PZ -0.00950 0.32857 168 3S -0.04864 0.00927 0.22567 169 3PX 0.01369 0.04144 0.00904 0.04066 170 3PY -0.00595 -0.00089 -0.05925 -0.00235 0.03597 171 3PZ 0.01082 0.12312 0.00693 0.02830 -0.00080 172 4XX -0.01636 -0.00015 -0.00596 -0.00138 0.00512 173 4YY 0.01793 0.00049 -0.00696 0.00132 -0.00312 174 4ZZ -0.01244 0.00106 -0.00805 -0.00080 0.00474 175 4XY -0.00246 0.01401 0.00135 0.00499 -0.00055 176 4XZ 0.00722 -0.00248 -0.00384 -0.00045 0.00010 177 4YZ -0.00040 0.00341 -0.00023 0.00195 0.00034 178 18 H 1S 0.01278 0.01908 -0.04166 -0.01058 0.02963 179 2S -0.00801 0.04012 -0.03913 -0.01111 0.02479 180 19 H 1S -0.01601 -0.00893 0.03884 0.01629 -0.00020 181 2S -0.02424 -0.01716 0.03596 0.01921 0.00009 182 20 H 1S -0.02210 0.02038 0.04606 -0.01497 -0.00466 183 2S -0.03318 0.03423 0.04563 -0.01735 -0.00638 184 21 H 1S 0.01482 -0.02902 -0.04010 0.00238 0.03175 185 2S -0.00999 -0.05440 -0.04371 0.00219 0.03071 186 22 O 1S -0.04814 0.00348 0.03130 0.00045 0.00298 187 2S 0.11032 -0.01008 -0.08068 0.00113 -0.03149 188 2PX 0.05615 0.10937 0.03213 0.11643 -0.01410 189 2PY -0.38653 0.05518 -0.15311 0.00402 0.05491 190 2PZ 0.05317 0.23611 0.01509 0.04634 -0.00678 191 3S 0.02670 0.00705 -0.13691 0.00394 -0.03498 192 3PX 0.03094 0.07880 0.01988 0.07447 -0.01014 193 3PY -0.20309 0.03002 -0.08117 0.00243 0.03093 194 3PZ 0.03089 0.13893 0.00816 0.02818 -0.00473 195 4XX -0.00498 0.00026 -0.00150 0.00063 0.00258 196 4YY 0.02180 -0.00513 0.01505 -0.00108 -0.00374 197 4ZZ -0.00458 0.00212 -0.00187 -0.00003 0.00228 198 4XY -0.00452 -0.00318 -0.00246 -0.00720 0.00077 199 4XZ 0.00135 0.00197 -0.00019 0.00091 -0.00052 200 4YZ -0.00399 -0.01893 -0.00180 -0.00340 0.00063 201 23 O 1S 0.00037 0.00027 -0.00332 -0.00010 0.00182 202 2S 0.00242 -0.00054 0.00611 0.00022 0.00103 203 2PX -0.00215 -0.01484 -0.00478 0.02941 0.00238 204 2PY -0.00832 0.00202 0.00346 -0.00052 0.01806 205 2PZ -0.00436 -0.01354 0.00344 -0.02346 -0.00101 206 3S -0.01310 -0.00348 -0.00861 -0.00011 -0.00895 207 3PX -0.00211 -0.01332 -0.00362 0.02137 0.00090 208 3PY -0.00895 0.00173 -0.00174 -0.00048 0.00759 209 3PZ -0.00315 -0.00844 0.00396 -0.01669 -0.00254 210 4XX 0.00113 -0.00004 0.00074 0.00012 -0.00016 211 4YY 0.00028 0.00036 0.00038 0.00001 0.00173 212 4ZZ 0.00126 -0.00019 0.00062 -0.00014 -0.00021 213 4XY -0.00039 -0.00043 -0.00010 0.00077 0.00017 214 4XZ 0.00014 -0.00026 -0.00040 -0.00001 -0.00004 215 4YZ -0.00033 -0.00119 -0.00022 -0.00086 0.00037 171 172 173 174 175 171 3PZ 0.06508 172 4XX -0.00032 0.00216 173 4YY 0.00094 -0.00121 0.00226 174 4ZZ -0.00101 0.00096 -0.00070 0.00175 175 4XY 0.00220 -0.00031 0.00005 0.00041 0.00399 176 4XZ -0.00093 -0.00018 0.00055 -0.00030 -0.00030 177 4YZ 0.00669 0.00020 0.00005 -0.00019 -0.00133 178 18 H 1S 0.00257 0.00369 -0.00366 0.00529 0.00326 179 2S -0.00027 0.00222 -0.00283 0.00593 0.00818 180 19 H 1S -0.00424 0.00110 -0.00238 -0.00005 -0.00076 181 2S -0.00688 0.00110 -0.00297 0.00016 -0.00235 182 20 H 1S 0.01105 0.00002 -0.00227 0.00050 0.00084 183 2S 0.01354 -0.00011 -0.00287 0.00097 0.00294 184 21 H 1S -0.00723 0.00562 -0.00409 0.00333 -0.00171 185 2S -0.00844 0.00557 -0.00358 0.00300 -0.00728 186 22 O 1S 0.00021 0.00574 -0.01313 0.00484 0.00186 187 2S -0.00026 -0.01260 0.02427 -0.01075 -0.00389 188 2PX 0.04579 -0.00987 0.00584 0.00077 0.04610 189 2PY 0.01283 0.01971 -0.00717 0.01850 0.00617 190 2PZ 0.15490 -0.00105 0.00382 -0.00526 -0.01139 191 3S 0.00488 -0.01077 0.02861 -0.00834 -0.00265 192 3PX 0.02806 -0.00666 0.00394 0.00099 0.03299 193 3PY 0.00710 0.01033 -0.00361 0.00959 0.00357 194 3PZ 0.09751 -0.00054 0.00258 -0.00344 -0.00876 195 4XX 0.00009 0.00059 -0.00063 0.00050 0.00031 196 4YY -0.00181 -0.00115 -0.00004 -0.00120 -0.00047 197 4ZZ 0.00088 0.00046 -0.00050 0.00050 0.00001 198 4XY -0.00340 0.00050 -0.00031 0.00014 -0.00168 199 4XZ 0.00121 -0.00015 0.00025 -0.00014 0.00011 200 4YZ -0.01001 0.00017 -0.00023 0.00029 0.00004 201 23 O 1S -0.00013 0.00011 -0.00037 0.00009 0.00001 202 2S -0.00041 -0.00033 0.00117 -0.00009 -0.00011 203 2PX -0.02446 0.00038 0.00080 -0.00163 0.00171 204 2PY -0.00298 -0.00051 0.00251 0.00055 -0.00062 205 2PZ 0.01508 0.00012 0.00092 -0.00158 0.00345 206 3S -0.00083 -0.00044 0.00210 -0.00001 0.00021 207 3PX -0.01761 0.00029 0.00062 -0.00127 0.00099 208 3PY -0.00140 -0.00043 0.00175 0.00035 -0.00033 209 3PZ 0.01083 -0.00008 0.00078 -0.00119 0.00293 210 4XX -0.00005 0.00002 -0.00008 -0.00006 0.00002 211 4YY -0.00011 0.00001 0.00005 0.00005 -0.00004 212 4ZZ 0.00008 -0.00006 -0.00005 -0.00001 -0.00003 213 4XY -0.00089 0.00002 0.00002 -0.00004 0.00011 214 4XZ -0.00008 -0.00001 0.00006 -0.00002 0.00003 215 4YZ 0.00029 0.00003 0.00002 -0.00006 0.00009 176 177 178 179 180 176 4XZ 0.00058 177 4YZ -0.00019 0.00308 178 18 H 1S -0.00554 0.00078 0.21485 179 2S -0.00383 -0.00403 0.15501 0.13494 180 19 H 1S 0.00023 -0.00039 -0.02269 -0.02486 0.21485 181 2S -0.00010 0.00064 -0.02486 -0.02733 0.15501 182 20 H 1S -0.00031 -0.00019 0.00187 0.00819 -0.01126 183 2S -0.00078 -0.00120 0.00771 0.02121 -0.02021 184 21 H 1S -0.00408 0.00140 -0.01126 -0.01955 0.00187 185 2S -0.00228 0.00557 -0.02021 -0.03230 0.00771 186 22 O 1S -0.00151 0.00129 0.00322 -0.00374 0.00150 187 2S 0.00334 -0.00263 -0.00599 0.00644 -0.00266 188 2PX -0.00276 -0.01104 -0.00370 0.03611 -0.01786 189 2PY -0.00391 0.00314 0.01751 0.04848 0.00895 190 2PZ -0.00290 0.03894 0.02492 -0.02442 -0.00176 191 3S 0.00359 -0.00196 -0.02191 0.00405 -0.01184 192 3PX -0.00200 -0.00847 -0.00066 0.03033 -0.01733 193 3PY -0.00230 0.00160 0.01529 0.03147 0.00826 194 3PZ -0.00196 0.02730 0.01723 -0.01855 -0.00040 195 4XX -0.00007 0.00001 0.00098 0.00100 0.00060 196 4YY 0.00010 -0.00031 -0.00053 -0.00280 0.00020 197 4ZZ -0.00009 0.00028 0.00148 0.00123 0.00033 198 4XY 0.00012 0.00003 0.00128 0.00069 0.00003 199 4XZ 0.00004 0.00014 -0.00073 -0.00057 -0.00005 200 4YZ 0.00018 -0.00172 -0.00166 0.00003 0.00035 201 23 O 1S 0.00004 0.00003 0.00150 0.00197 0.00322 202 2S 0.00006 -0.00016 -0.00266 -0.00367 -0.00599 203 2PX 0.00025 0.00396 -0.01786 -0.02953 -0.00371 204 2PY 0.00041 -0.00086 -0.00895 -0.01437 -0.01751 205 2PZ 0.00021 0.00476 -0.00176 0.00710 0.02492 206 3S 0.00024 0.00032 -0.01184 -0.00992 -0.02191 207 3PX 0.00021 0.00339 -0.01733 -0.02632 -0.00066 208 3PY 0.00032 -0.00055 -0.00826 -0.01030 -0.01529 209 3PZ 0.00016 0.00357 -0.00040 0.00668 0.01722 210 4XX -0.00001 0.00000 0.00060 0.00046 0.00098 211 4YY 0.00001 -0.00006 0.00020 -0.00006 -0.00053 212 4ZZ -0.00001 -0.00002 0.00033 0.00030 0.00148 213 4XY 0.00000 0.00012 -0.00003 -0.00009 -0.00128 214 4XZ 0.00001 0.00004 -0.00005 -0.00013 -0.00073 215 4YZ 0.00001 0.00018 -0.00035 -0.00021 0.00166 181 182 183 184 185 181 2S 0.13494 182 20 H 1S -0.01955 0.21460 183 2S -0.03230 0.15568 0.13803 184 21 H 1S 0.00819 -0.02309 -0.02565 0.21460 185 2S 0.02121 -0.02565 -0.03016 0.15568 0.13803 186 22 O 1S 0.00197 0.00163 0.00255 0.00337 -0.00418 187 2S -0.00367 -0.00307 -0.00556 -0.00650 0.00679 188 2PX -0.02953 0.01278 0.02786 0.01146 -0.04155 189 2PY 0.01437 0.01251 0.02161 0.01588 0.05049 190 2PZ 0.00710 -0.00860 -0.01565 -0.01504 0.01745 191 3S -0.00992 -0.01181 -0.00992 -0.02321 0.00404 192 3PX -0.02632 0.01307 0.02501 0.00651 -0.03275 193 3PY 0.01030 0.01111 0.01538 0.01368 0.03116 194 3PZ 0.00668 -0.00911 -0.01457 -0.00974 0.01584 195 4XX 0.00046 0.00044 0.00038 0.00169 0.00147 196 4YY -0.00006 0.00016 -0.00034 -0.00065 -0.00314 197 4ZZ 0.00030 0.00046 0.00036 0.00085 0.00111 198 4XY 0.00009 0.00019 0.00004 -0.00149 -0.00001 199 4XZ -0.00013 -0.00007 -0.00011 -0.00078 -0.00059 200 4YZ 0.00021 -0.00015 -0.00025 0.00147 0.00098 201 23 O 1S -0.00374 0.00337 -0.00418 0.00163 0.00255 202 2S 0.00644 -0.00650 0.00679 -0.00307 -0.00556 203 2PX 0.03611 0.01146 -0.04156 0.01278 0.02786 204 2PY -0.04848 -0.01588 -0.05049 -0.01251 -0.02161 205 2PZ -0.02442 -0.01504 0.01745 -0.00860 -0.01565 206 3S 0.00405 -0.02321 0.00404 -0.01181 -0.00992 207 3PX 0.03033 0.00651 -0.03275 0.01307 0.02501 208 3PY -0.03147 -0.01368 -0.03116 -0.01111 -0.01538 209 3PZ -0.01855 -0.00974 0.01584 -0.00911 -0.01457 210 4XX 0.00100 0.00169 0.00147 0.00044 0.00038 211 4YY -0.00280 -0.00065 -0.00314 0.00016 -0.00034 212 4ZZ 0.00123 0.00085 0.00111 0.00046 0.00036 213 4XY -0.00069 0.00149 0.00001 -0.00019 -0.00004 214 4XZ -0.00057 -0.00078 -0.00059 -0.00007 -0.00011 215 4YZ -0.00003 -0.00147 -0.00098 0.00015 0.00025 186 187 188 189 190 186 22 O 1S 2.07880 187 2S -0.18258 0.50275 188 2PX 0.00357 -0.01037 0.74001 189 2PY -0.04157 0.08231 0.00375 0.60252 190 2PZ 0.00242 -0.00714 -0.13055 -0.01037 0.64453 191 3S -0.24637 0.60155 -0.00762 0.24765 -0.00316 192 3PX 0.00268 -0.00714 0.51018 0.01082 -0.10125 193 3PY -0.03430 0.06275 0.00634 0.32613 -0.00603 194 3PZ 0.00175 -0.00445 -0.10109 -0.00261 0.43483 195 4XX -0.01192 -0.01061 0.00380 0.00523 -0.00172 196 4YY -0.01047 -0.01115 -0.00242 -0.04179 -0.00167 197 4ZZ -0.01282 -0.00868 -0.00166 0.00526 0.00343 198 4XY -0.00025 0.00042 -0.03420 0.00195 0.00065 199 4XZ -0.00138 0.00298 0.00253 0.00020 0.00305 200 4YZ -0.00030 0.00059 0.00080 0.00173 -0.03363 201 23 O 1S 0.00020 -0.00032 -0.00016 0.00018 -0.00018 202 2S -0.00032 0.00228 0.00033 -0.00436 -0.00012 203 2PX -0.00016 0.00033 0.02790 0.00394 0.02911 204 2PY -0.00018 0.00436 -0.00394 -0.00082 -0.00668 205 2PZ -0.00018 -0.00012 0.02911 0.00668 0.04768 206 3S -0.00116 -0.00212 0.00117 0.01440 0.00193 207 3PX -0.00011 -0.00005 0.01994 0.00381 0.02407 208 3PY -0.00024 0.00142 -0.00247 0.00372 -0.00434 209 3PZ -0.00012 -0.00021 0.02418 0.00502 0.03577 210 4XX 0.00004 0.00027 0.00022 -0.00118 0.00010 211 4YY 0.00012 0.00025 -0.00018 -0.00057 -0.00047 212 4ZZ 0.00003 0.00030 -0.00007 -0.00140 -0.00020 213 4XY 0.00001 -0.00005 0.00083 0.00035 0.00110 214 4XZ -0.00001 -0.00002 0.00031 -0.00009 0.00042 215 4YZ 0.00002 -0.00003 0.00100 0.00031 0.00152 191 192 193 194 195 191 3S 0.77265 192 3PX -0.00248 0.35396 193 3PY 0.15099 0.00876 0.17852 194 3PZ -0.00016 -0.07726 -0.00186 0.29554 195 4XX -0.01144 0.00259 0.00264 -0.00119 0.00052 196 4YY -0.02406 -0.00215 -0.02254 -0.00137 -0.00014 197 4ZZ -0.00899 -0.00112 0.00265 0.00233 0.00041 198 4XY 0.00086 -0.02286 0.00086 0.00090 -0.00017 199 4XZ 0.00380 0.00166 0.00017 0.00197 -0.00006 200 4YZ 0.00070 0.00099 0.00091 -0.02208 0.00009 201 23 O 1S -0.00116 -0.00011 0.00024 -0.00012 0.00004 202 2S -0.00212 -0.00005 -0.00142 -0.00021 0.00027 203 2PX 0.00117 0.01994 0.00247 0.02418 0.00022 204 2PY -0.01440 -0.00381 0.00372 -0.00502 0.00118 205 2PZ 0.00193 0.02407 0.00434 0.03577 0.00010 206 3S 0.01365 0.00165 0.00406 0.00233 -0.00017 207 3PX 0.00165 0.01414 0.00208 0.01994 0.00015 208 3PY -0.00406 -0.00208 0.00309 -0.00312 0.00053 209 3PZ 0.00233 0.01994 0.00312 0.02688 0.00004 210 4XX -0.00017 0.00015 -0.00053 0.00004 -0.00002 211 4YY -0.00175 -0.00025 0.00015 -0.00040 0.00010 212 4ZZ -0.00008 -0.00007 -0.00070 -0.00016 -0.00003 213 4XY -0.00008 0.00069 0.00023 0.00089 0.00001 214 4XZ 0.00013 0.00025 -0.00010 0.00034 0.00000 215 4YZ -0.00016 0.00079 0.00022 0.00121 0.00001 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00017 0.00042 198 4XY 0.00000 0.00009 0.00185 199 4XZ -0.00008 -0.00005 -0.00015 0.00006 200 4YZ 0.00002 -0.00017 0.00016 -0.00019 0.00195 201 23 O 1S 0.00012 0.00003 -0.00001 -0.00001 -0.00002 202 2S 0.00025 0.00030 0.00005 -0.00002 0.00003 203 2PX -0.00018 -0.00007 -0.00083 0.00031 -0.00100 204 2PY 0.00057 0.00140 0.00035 0.00009 0.00031 205 2PZ -0.00047 -0.00020 -0.00110 0.00042 -0.00152 206 3S -0.00175 -0.00008 0.00008 0.00013 0.00016 207 3PX -0.00025 -0.00007 -0.00069 0.00025 -0.00079 208 3PY -0.00015 0.00070 0.00023 0.00010 0.00022 209 3PZ -0.00040 -0.00016 -0.00089 0.00034 -0.00121 210 4XX 0.00010 -0.00003 -0.00001 0.00000 -0.00001 211 4YY 0.00010 0.00010 0.00001 -0.00001 0.00001 212 4ZZ 0.00010 -0.00003 -0.00001 0.00000 0.00001 213 4XY -0.00001 0.00001 -0.00001 0.00001 -0.00003 214 4XZ -0.00001 0.00000 -0.00001 0.00001 -0.00001 215 4YZ -0.00001 -0.00001 -0.00003 0.00001 -0.00002 201 202 203 204 205 201 23 O 1S 2.07880 202 2S -0.18258 0.50275 203 2PX 0.00357 -0.01037 0.74001 204 2PY 0.04157 -0.08231 -0.00375 0.60252 205 2PZ 0.00242 -0.00714 -0.13055 0.01037 0.64453 206 3S -0.24637 0.60155 -0.00762 -0.24765 -0.00316 207 3PX 0.00268 -0.00714 0.51018 -0.01082 -0.10125 208 3PY 0.03430 -0.06275 -0.00634 0.32613 0.00603 209 3PZ 0.00175 -0.00445 -0.10109 0.00262 0.43483 210 4XX -0.01192 -0.01061 0.00380 -0.00523 -0.00172 211 4YY -0.01047 -0.01115 -0.00242 0.04179 -0.00167 212 4ZZ -0.01282 -0.00868 -0.00166 -0.00526 0.00343 213 4XY 0.00025 -0.00042 0.03420 0.00195 -0.00065 214 4XZ -0.00138 0.00298 0.00253 -0.00020 0.00305 215 4YZ 0.00030 -0.00059 -0.00080 0.00173 0.03363 206 207 208 209 210 206 3S 0.77265 207 3PX -0.00248 0.35396 208 3PY -0.15099 -0.00876 0.17852 209 3PZ -0.00016 -0.07726 0.00186 0.29554 210 4XX -0.01144 0.00260 -0.00264 -0.00119 0.00052 211 4YY -0.02406 -0.00215 0.02254 -0.00137 -0.00014 212 4ZZ -0.00899 -0.00112 -0.00265 0.00233 0.00041 213 4XY -0.00086 0.02286 0.00086 -0.00090 0.00017 214 4XZ 0.00380 0.00166 -0.00017 0.00197 -0.00006 215 4YZ -0.00070 -0.00099 0.00091 0.02208 -0.00009 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00017 0.00042 213 4XY 0.00000 -0.00009 0.00185 214 4XZ -0.00008 -0.00005 0.00015 0.00006 215 4YZ -0.00002 0.00017 0.00016 0.00019 0.00195 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05588 2 2S -0.01390 0.33136 3 2PX 0.00000 0.00000 0.36493 4 2PY 0.00000 0.00000 0.00000 0.42724 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.35262 6 3S -0.03805 0.25401 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10894 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07727 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09448 10 4XX -0.00095 -0.00812 0.00000 0.00000 0.00000 11 4YY -0.00152 0.00216 0.00000 0.00000 0.00000 12 4ZZ -0.00101 -0.00708 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 C 1S 0.00000 -0.00045 -0.00153 -0.00024 -0.00083 17 2S -0.00049 0.01003 0.02457 0.00323 0.01296 18 2PX -0.00161 0.02420 0.01112 0.00781 0.04059 19 2PY -0.00029 0.00507 0.01117 -0.00073 0.00541 20 2PZ -0.00069 0.01081 0.04405 0.00278 -0.00034 21 3S 0.00086 0.00257 0.01025 0.00561 0.00959 22 3PX -0.00057 0.01205 -0.00048 0.00358 0.01834 23 3PY -0.00027 0.00199 0.00775 0.00381 0.00299 24 3PZ 0.00043 0.00072 0.01847 0.00062 0.00380 25 4XX -0.00006 0.00108 -0.00085 0.00062 0.00157 26 4YY 0.00001 -0.00059 -0.00079 0.00004 -0.00050 27 4ZZ -0.00001 0.00013 0.00052 0.00018 -0.00045 28 4XY -0.00005 0.00055 0.00037 0.00030 0.00061 29 4XZ -0.00012 0.00128 0.00088 0.00075 -0.00004 30 4YZ -0.00003 0.00031 0.00067 0.00020 0.00003 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00023 -0.00020 -0.00046 -0.00005 33 2PX 0.00000 -0.00014 0.00001 -0.00027 0.00004 34 2PY 0.00000 -0.00045 -0.00045 -0.00043 -0.00027 35 2PZ 0.00000 -0.00010 -0.00007 -0.00015 0.00001 36 3S 0.00005 -0.00233 0.00232 -0.00784 0.00025 37 3PX -0.00004 -0.00014 0.00015 -0.00131 0.00024 38 3PY 0.00007 -0.00249 0.00083 -0.00408 -0.00075 39 3PZ -0.00001 -0.00013 0.00081 -0.00037 -0.00042 40 4XX 0.00000 0.00000 0.00001 0.00000 -0.00001 41 4YY 0.00000 0.00004 0.00005 0.00008 0.00003 42 4ZZ 0.00000 0.00000 -0.00001 0.00001 0.00000 43 4XY 0.00000 0.00004 0.00001 0.00009 0.00008 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00002 0.00009 0.00004 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00018 0.00000 -0.00055 0.00000 48 2PX 0.00000 0.00000 -0.00025 0.00000 0.00000 49 2PY 0.00000 -0.00055 0.00000 -0.00120 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00024 51 3S 0.00018 -0.00251 0.00000 -0.00475 0.00000 52 3PX 0.00000 0.00000 -0.00421 0.00000 0.00000 53 3PY 0.00029 -0.00282 0.00000 -0.00194 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00261 55 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 56 4YY 0.00000 0.00010 0.00000 0.00040 0.00000 57 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 61 5 H 1S -0.00213 0.03297 0.00305 0.09119 0.00516 62 2S -0.00137 0.01288 0.00078 0.05326 0.00338 63 6 H 1S 0.00000 -0.00014 -0.00035 0.00000 -0.00022 64 2S 0.00020 -0.00277 -0.00599 -0.00015 -0.00349 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S -0.00001 0.00018 0.00028 0.00020 0.00010 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00017 0.00002 0.00049 0.00000 69 9 C 1S 0.00000 -0.00020 -0.00011 -0.00077 -0.00046 70 2S -0.00020 0.00539 0.00244 0.01452 0.00889 71 2PX -0.00008 0.00134 0.00028 0.00328 0.00315 72 2PY -0.00086 0.01753 0.00568 0.02276 0.02640 73 2PZ -0.00053 0.01024 0.00412 0.02073 0.00377 74 3S 0.00024 0.00296 0.00143 0.01982 0.00991 75 3PX -0.00002 0.00076 0.00294 0.00168 0.00193 76 3PY -0.00071 0.01147 0.00407 0.00400 0.01756 77 3PZ -0.00049 0.00732 0.00133 0.01122 -0.00216 78 4XX 0.00000 -0.00028 0.00003 -0.00033 -0.00029 79 4YY -0.00005 0.00098 0.00037 -0.00063 0.00108 80 4ZZ 0.00000 -0.00001 -0.00006 0.00041 -0.00028 81 4XY -0.00002 0.00028 0.00046 0.00031 0.00054 82 4XZ -0.00001 0.00019 0.00016 0.00037 -0.00002 83 4YZ -0.00008 0.00144 0.00048 0.00153 0.00006 84 10 H 1S 0.00000 -0.00009 -0.00012 -0.00010 -0.00019 85 2S 0.00013 -0.00182 -0.00308 -0.00138 -0.00190 86 11 H 1S 0.00000 -0.00019 0.00004 -0.00016 -0.00005 87 2S 0.00020 -0.00344 0.00020 -0.00222 -0.00269 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 90 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 91 2PY 0.00000 0.00000 -0.00002 -0.00001 -0.00002 92 2PZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 93 3S 0.00001 -0.00051 -0.00037 -0.00069 0.00024 94 3PX 0.00003 -0.00077 -0.00034 -0.00060 -0.00060 95 3PY 0.00001 -0.00037 -0.00021 -0.00032 -0.00004 96 3PZ 0.00002 -0.00074 -0.00099 -0.00049 -0.00008 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00015 0.00009 -0.00001 0.00012 105 2PX 0.00000 0.00011 0.00195 0.00010 0.00165 106 2PY 0.00000 -0.00001 0.00012 -0.00003 0.00009 107 2PZ 0.00000 0.00016 0.00183 0.00006 0.00130 108 3S 0.00014 0.00024 0.00128 0.00037 -0.00018 109 3PX 0.00005 -0.00060 0.00479 0.00029 0.00881 110 3PY 0.00003 -0.00054 -0.00010 0.00052 0.00047 111 3PZ 0.00002 0.00112 0.00941 0.00039 0.00292 112 4XX 0.00000 0.00002 0.00001 0.00001 0.00007 113 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 114 4ZZ 0.00000 0.00000 0.00006 0.00001 -0.00001 115 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 116 4XZ 0.00000 0.00005 0.00011 0.00001 0.00005 117 4YZ 0.00000 0.00001 0.00002 0.00000 0.00001 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 120 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00001 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 123 3S 0.00001 -0.00019 -0.00015 0.00002 0.00006 124 3PX 0.00001 -0.00059 -0.00010 -0.00004 0.00011 125 3PY 0.00000 -0.00007 -0.00020 -0.00002 0.00004 126 3PZ 0.00001 -0.00009 0.00015 -0.00001 -0.00001 127 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00001 0.00004 0.00000 0.00000 139 3PX 0.00000 0.00003 0.00001 0.00001 0.00000 140 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 0.00002 0.00001 0.00000 169 3PX 0.00000 0.00000 0.00002 0.00001 -0.00001 170 3PY 0.00000 0.00002 0.00001 0.00000 -0.00001 171 3PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 0.00002 0.00003 0.00006 180 19 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00005 181 2S 0.00002 -0.00037 0.00007 -0.00001 -0.00127 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00003 0.00000 0.00000 207 3PX 0.00000 -0.00002 -0.00015 -0.00002 -0.00003 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.34826 7 3PX 0.00000 0.12345 8 3PY 0.00000 0.00000 0.05500 9 3PZ 0.00000 0.00000 0.00000 0.08841 10 4XX -0.00815 0.00000 0.00000 0.00000 0.00154 11 4YY 0.00396 0.00000 0.00000 0.00000 -0.00027 12 4ZZ -0.00504 0.00000 0.00000 0.00000 0.00007 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 C 1S -0.00050 -0.00113 -0.00037 -0.00046 -0.00007 17 2S 0.01227 0.01519 0.00423 0.00539 0.00120 18 2PX 0.03049 -0.00002 0.00509 0.01899 -0.00106 19 2PY 0.00116 0.00500 0.00400 0.00229 0.00056 20 2PZ 0.00463 0.02362 -0.00033 0.00303 0.00226 21 3S -0.01656 -0.00450 0.00367 0.00515 0.00227 22 3PX 0.02074 0.00734 0.00310 0.01573 -0.00134 23 3PY -0.00059 0.00626 0.00588 0.00141 0.00047 24 3PZ -0.01150 0.01675 -0.00171 0.01117 0.00229 25 4XX 0.00173 -0.00119 0.00018 0.00145 -0.00004 26 4YY -0.00122 -0.00066 -0.00025 -0.00054 -0.00002 27 4ZZ -0.00018 0.00120 -0.00003 -0.00077 -0.00001 28 4XY 0.00033 0.00001 0.00020 0.00011 0.00001 29 4XZ 0.00037 0.00002 0.00008 0.00004 0.00001 30 4YZ 0.00025 0.00020 -0.00003 0.00001 -0.00006 31 3 C 1S 0.00010 0.00006 0.00008 0.00001 0.00000 32 2S -0.00270 -0.00163 -0.00202 -0.00027 0.00000 33 2PX -0.00178 0.00000 0.00076 -0.00024 -0.00002 34 2PY 0.00009 -0.00165 0.00288 -0.00151 -0.00001 35 2PZ -0.00284 -0.00152 -0.00306 -0.00016 0.00004 36 3S -0.00575 0.00656 -0.01062 -0.00054 0.00015 37 3PX -0.00012 -0.00236 0.00252 -0.00089 -0.00016 38 3PY 0.00124 0.00290 0.00037 -0.00195 -0.00009 39 3PZ -0.00479 -0.00073 -0.00477 -0.00149 0.00040 40 4XX -0.00005 0.00017 0.00001 -0.00007 0.00000 41 4YY 0.00038 0.00006 0.00038 0.00003 0.00000 42 4ZZ 0.00004 -0.00014 -0.00011 0.00006 0.00000 43 4XY 0.00026 0.00000 0.00016 0.00017 0.00000 44 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 45 4YZ 0.00005 0.00024 0.00003 0.00003 0.00000 46 4 C 1S 0.00018 0.00000 0.00029 0.00000 0.00000 47 2S -0.00251 0.00000 -0.00282 0.00000 0.00000 48 2PX 0.00000 -0.00421 0.00000 0.00000 0.00000 49 2PY -0.00475 0.00000 -0.00194 0.00000 -0.00001 50 2PZ 0.00000 0.00000 0.00000 -0.00261 0.00000 51 3S -0.00608 0.00000 -0.00411 0.00000 -0.00022 52 3PX 0.00000 -0.01652 0.00000 0.00000 0.00000 53 3PY -0.00411 0.00000 0.00166 0.00000 -0.00042 54 3PZ 0.00000 0.00000 0.00000 -0.00772 0.00000 55 4XX -0.00022 0.00000 -0.00042 0.00000 0.00000 56 4YY 0.00080 0.00000 0.00116 0.00000 0.00000 57 4ZZ -0.00005 0.00000 -0.00010 0.00000 0.00000 58 4XY 0.00000 -0.00005 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 61 5 H 1S 0.05175 0.00082 0.03928 0.00303 -0.00111 62 2S 0.03045 -0.00109 0.03043 0.00352 -0.00199 63 6 H 1S -0.00359 -0.00280 0.00013 -0.00131 0.00002 64 2S -0.01410 -0.01157 0.00026 -0.00395 0.00002 65 7 H 1S 0.00014 0.00016 0.00003 0.00006 0.00000 66 2S 0.00191 0.00198 0.00067 0.00051 0.00000 67 8 H 1S 0.00012 0.00001 0.00015 0.00001 0.00000 68 2S 0.00188 0.00017 0.00224 0.00001 0.00000 69 9 C 1S -0.00006 -0.00003 -0.00087 -0.00018 0.00000 70 2S 0.00588 0.00106 0.01086 0.00390 -0.00033 71 2PX 0.00168 0.00054 0.00098 0.00120 0.00003 72 2PY 0.01304 0.00336 0.00227 0.01506 -0.00033 73 2PZ 0.01279 0.00172 0.00916 -0.00138 -0.00039 74 3S -0.01243 -0.00060 0.01068 0.00366 -0.00030 75 3PX -0.00008 0.00318 0.00006 0.00122 -0.00016 76 3PY 0.00258 0.00289 -0.00194 0.01319 -0.00044 77 3PZ 0.00530 0.00031 0.00324 -0.00440 0.00019 78 4XX -0.00141 -0.00015 -0.00062 -0.00026 0.00002 79 4YY 0.00220 0.00022 -0.00030 0.00082 -0.00004 80 4ZZ -0.00001 0.00002 0.00039 -0.00046 -0.00001 81 4XY 0.00012 0.00059 0.00003 0.00019 0.00000 82 4XZ 0.00004 0.00009 0.00005 0.00000 0.00000 83 4YZ 0.00071 0.00020 0.00007 0.00001 -0.00003 84 10 H 1S -0.00227 -0.00092 -0.00071 -0.00109 0.00003 85 2S -0.01044 -0.00477 -0.00363 -0.00119 0.00052 86 11 H 1S -0.00237 0.00022 -0.00101 -0.00139 0.00000 87 2S -0.00857 0.00026 -0.00372 -0.00529 0.00004 88 12 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 89 2S -0.00010 -0.00013 -0.00004 -0.00007 0.00000 90 2PX -0.00037 -0.00065 -0.00026 -0.00037 0.00000 91 2PY 0.00010 -0.00079 0.00053 -0.00040 0.00000 92 2PZ -0.00048 -0.00108 -0.00021 -0.00009 0.00000 93 3S -0.00254 -0.00112 -0.00153 0.00124 0.00006 94 3PX -0.00275 -0.00151 -0.00120 -0.00198 0.00010 95 3PY -0.00006 -0.00107 0.00088 0.00004 -0.00006 96 3PZ -0.00288 -0.00483 -0.00107 -0.00017 0.00013 97 4XX 0.00001 -0.00001 0.00002 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 99 4ZZ 0.00001 -0.00001 -0.00002 -0.00001 0.00000 100 4XY -0.00001 0.00005 -0.00001 0.00007 0.00000 101 4XZ 0.00000 -0.00003 0.00002 -0.00001 0.00000 102 4YZ 0.00001 0.00009 -0.00001 0.00002 0.00000 103 13 C 1S 0.00017 0.00004 0.00003 0.00007 0.00000 104 2S -0.00093 -0.00075 0.00011 -0.00018 0.00003 105 2PX -0.00022 0.00504 -0.00031 0.00687 0.00003 106 2PY -0.00024 0.00061 0.00084 0.00028 0.00001 107 2PZ 0.00109 0.00833 -0.00021 0.00254 0.00008 108 3S -0.00098 0.00068 -0.00068 -0.00350 0.00036 109 3PX -0.00125 0.00579 -0.00056 0.01481 0.00028 110 3PY -0.00129 0.00022 0.00207 0.00071 0.00009 111 3PZ 0.00147 0.01786 -0.00080 0.00177 0.00040 112 4XX 0.00025 0.00018 0.00002 0.00031 0.00000 113 4YY -0.00006 -0.00015 0.00000 -0.00009 0.00000 114 4ZZ -0.00008 0.00031 -0.00002 0.00002 0.00000 115 4XY 0.00002 0.00005 0.00001 0.00004 0.00000 116 4XZ 0.00020 0.00020 0.00002 0.00008 -0.00001 117 4YZ 0.00004 0.00010 0.00000 0.00002 0.00000 118 14 C 1S -0.00001 0.00003 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00057 -0.00001 -0.00011 0.00000 120 2PX -0.00070 0.00093 -0.00001 -0.00009 0.00001 121 2PY -0.00004 -0.00010 -0.00002 0.00000 0.00000 122 2PZ -0.00023 0.00060 0.00000 -0.00008 0.00000 123 3S 0.00028 -0.00030 -0.00001 0.00009 0.00001 124 3PX -0.00303 0.00162 -0.00016 0.00015 0.00010 125 3PY -0.00007 -0.00036 0.00034 0.00005 0.00000 126 3PZ -0.00102 0.00123 0.00002 0.00000 0.00004 127 4XX 0.00002 0.00025 0.00001 0.00008 0.00000 128 4YY 0.00000 -0.00004 0.00000 -0.00001 0.00000 129 4ZZ -0.00001 -0.00009 0.00000 -0.00001 0.00000 130 4XY 0.00001 0.00001 -0.00002 0.00000 0.00000 131 4XZ 0.00001 0.00005 0.00000 -0.00001 0.00000 132 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00001 0.00000 0.00000 0.00000 135 2PX -0.00003 -0.00004 -0.00001 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 3S -0.00006 0.00023 0.00006 -0.00001 0.00000 139 3PX -0.00023 -0.00025 -0.00003 0.00000 -0.00001 140 3PY -0.00003 -0.00006 0.00003 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00002 -0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 -0.00009 -0.00006 0.00000 0.00000 154 3PX -0.00003 -0.00018 -0.00016 0.00000 0.00000 155 3PY 0.00000 -0.00005 -0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00003 -0.00001 0.00001 0.00000 165 2PX -0.00002 0.00000 -0.00004 0.00001 0.00000 166 2PY 0.00000 0.00005 -0.00002 0.00000 0.00000 167 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 168 3S 0.00006 0.00023 0.00003 -0.00001 0.00000 169 3PX -0.00013 0.00004 -0.00006 -0.00001 0.00000 170 3PY 0.00008 0.00010 0.00004 -0.00003 0.00000 171 3PZ -0.00001 -0.00014 -0.00005 0.00004 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 0.00005 -0.00003 0.00003 0.00000 179 2S 0.00030 0.00037 -0.00021 0.00030 0.00000 180 19 H 1S -0.00070 -0.00076 0.00002 -0.00081 0.00000 181 2S -0.00328 -0.00124 0.00003 -0.00183 -0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00002 0.00000 0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 193 3PY 0.00000 -0.00001 0.00001 0.00000 0.00000 194 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00004 -0.00003 0.00000 0.00000 203 2PX -0.00010 -0.00011 -0.00015 0.00000 0.00000 204 2PY 0.00003 0.00001 0.00000 -0.00001 0.00000 205 2PZ -0.00002 -0.00005 0.00000 0.00001 0.00000 206 3S -0.00029 -0.00002 -0.00027 0.00008 0.00000 207 3PX -0.00099 -0.00094 -0.00112 -0.00001 0.00000 208 3PY 0.00027 -0.00001 0.00001 -0.00002 0.00000 209 3PZ -0.00017 -0.00048 -0.00003 0.00021 0.00000 210 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 211 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00174 12 4ZZ -0.00014 0.00111 13 4XY 0.00000 0.00000 0.00062 14 4XZ 0.00000 0.00000 0.00000 0.00068 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 16 2 C 1S 0.00001 0.00000 -0.00005 -0.00013 -0.00002 17 2S -0.00062 -0.00008 0.00053 0.00143 0.00030 18 2PX -0.00057 0.00026 0.00043 0.00111 0.00074 19 2PY 0.00003 0.00002 0.00039 0.00043 0.00022 20 2PZ -0.00051 -0.00053 0.00076 -0.00001 0.00004 21 3S -0.00248 0.00087 0.00011 0.00045 0.00002 22 3PX -0.00055 0.00130 0.00000 0.00003 0.00008 23 3PY -0.00021 -0.00016 0.00011 0.00008 0.00001 24 3PZ -0.00075 -0.00091 0.00009 0.00008 0.00002 25 4XX -0.00003 0.00004 -0.00004 0.00000 -0.00002 26 4YY 0.00003 0.00000 0.00000 -0.00003 0.00000 27 4ZZ 0.00001 -0.00001 -0.00003 -0.00001 -0.00001 28 4XY 0.00000 -0.00005 -0.00002 -0.00002 -0.00002 29 4XZ -0.00004 -0.00001 -0.00001 0.00005 -0.00002 30 4YZ 0.00000 -0.00001 -0.00002 0.00001 -0.00001 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00004 0.00000 0.00003 0.00000 0.00003 33 2PX 0.00005 0.00001 0.00000 0.00001 0.00003 34 2PY 0.00013 -0.00001 0.00014 0.00000 0.00009 35 2PZ -0.00001 0.00000 0.00002 0.00000 0.00000 36 3S 0.00030 -0.00016 0.00016 -0.00001 0.00015 37 3PX 0.00013 0.00010 0.00000 0.00001 0.00007 38 3PY 0.00058 -0.00020 0.00017 -0.00001 0.00013 39 3PZ -0.00021 -0.00011 0.00004 0.00002 0.00001 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY -0.00001 0.00000 0.00001 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00010 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00040 -0.00002 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 51 3S 0.00080 -0.00005 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 -0.00005 0.00000 0.00000 53 3PY 0.00116 -0.00010 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00585 -0.00102 0.00034 -0.00001 0.00097 62 2S 0.00496 -0.00177 0.00007 -0.00001 0.00020 63 6 H 1S 0.00000 0.00002 0.00001 0.00002 0.00000 64 2S -0.00004 0.00027 0.00003 0.00001 0.00003 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00001 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00003 0.00001 0.00000 0.00000 0.00000 69 9 C 1S -0.00003 -0.00001 -0.00002 -0.00001 -0.00008 70 2S 0.00075 0.00020 0.00030 0.00012 0.00138 71 2PX 0.00026 0.00014 0.00023 0.00027 0.00035 72 2PY -0.00092 0.00052 0.00022 0.00014 0.00131 73 2PZ 0.00152 -0.00052 0.00036 0.00002 0.00029 74 3S 0.00030 0.00053 0.00022 0.00004 0.00091 75 3PX 0.00011 0.00012 0.00023 0.00023 0.00009 76 3PY -0.00073 0.00074 0.00003 0.00001 0.00012 77 3PZ 0.00054 -0.00086 0.00010 0.00001 -0.00006 78 4XX -0.00005 0.00001 0.00000 0.00000 -0.00001 79 4YY 0.00008 -0.00010 0.00000 -0.00001 -0.00003 80 4ZZ -0.00004 0.00002 -0.00001 0.00000 -0.00001 81 4XY -0.00002 -0.00002 0.00000 -0.00001 0.00002 82 4XZ 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 83 4YZ -0.00009 0.00001 0.00001 0.00001 0.00004 84 10 H 1S -0.00001 0.00000 0.00002 0.00003 0.00000 85 2S -0.00026 -0.00007 0.00001 0.00013 -0.00005 86 11 H 1S -0.00001 0.00009 0.00000 0.00001 0.00004 87 2S -0.00028 0.00068 0.00002 0.00004 0.00001 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 0.00000 -0.00001 0.00000 0.00002 0.00001 94 3PX -0.00005 -0.00001 0.00001 0.00005 0.00001 95 3PY 0.00005 -0.00001 0.00001 -0.00002 0.00001 96 3PZ -0.00005 -0.00001 0.00000 0.00003 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00001 0.00000 0.00000 0.00005 0.00000 105 2PX -0.00002 0.00007 0.00001 0.00014 0.00001 106 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 107 2PZ -0.00002 0.00000 0.00001 0.00007 0.00001 108 3S -0.00026 0.00002 0.00001 0.00022 -0.00001 109 3PX -0.00037 0.00042 0.00001 0.00024 0.00003 110 3PY -0.00001 -0.00001 0.00002 0.00004 0.00000 111 3PZ -0.00028 0.00012 0.00003 0.00014 0.00000 112 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 -0.00001 0.00000 -0.00001 0.00000 124 3PX -0.00002 0.00000 0.00000 0.00001 0.00000 125 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 126 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00008 0.00000 0.00002 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05350 17 2S -0.01403 0.33137 18 2PX 0.00000 0.00000 0.37396 19 2PY 0.00000 0.00000 0.00000 0.41906 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37852 21 3S -0.03069 0.20794 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.08650 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07751 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.10543 25 4XX -0.00122 -0.00487 0.00000 0.00000 0.00000 26 4YY -0.00138 -0.00167 0.00000 0.00000 0.00000 27 4ZZ -0.00116 -0.00587 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00051 0.00000 -0.00268 0.00000 32 2S -0.00051 0.01028 0.00000 0.04097 0.00000 33 2PX 0.00000 0.00000 0.01044 0.00000 0.00000 34 2PY -0.00268 0.04097 0.00000 0.09966 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.01328 36 3S -0.00011 0.01191 0.00000 0.02891 0.00000 37 3PX 0.00000 0.00000 0.01693 0.00000 0.00000 38 3PY -0.00143 0.02198 0.00000 0.01817 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.02477 40 4XX 0.00000 -0.00050 0.00000 -0.00124 0.00000 41 4YY -0.00028 0.00379 0.00000 0.00251 0.00000 42 4ZZ 0.00000 -0.00048 0.00000 -0.00107 0.00000 43 4XY 0.00000 0.00000 0.00207 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00216 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00023 -0.00014 -0.00045 -0.00010 48 2PX 0.00000 -0.00020 0.00001 -0.00045 -0.00007 49 2PY 0.00000 -0.00046 -0.00027 -0.00043 -0.00015 50 2PZ 0.00000 -0.00005 0.00004 -0.00027 0.00001 51 3S 0.00010 -0.00270 -0.00178 0.00009 -0.00284 52 3PX 0.00006 -0.00163 0.00000 -0.00165 -0.00152 53 3PY 0.00008 -0.00202 0.00076 0.00288 -0.00306 54 3PZ 0.00001 -0.00027 -0.00024 -0.00151 -0.00016 55 4XX 0.00000 0.00000 -0.00002 -0.00001 0.00004 56 4YY 0.00000 0.00004 0.00005 0.00013 -0.00001 57 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 58 4XY 0.00000 0.00003 0.00000 0.00014 0.00002 59 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 60 4YZ 0.00000 0.00003 0.00003 0.00009 0.00000 61 5 H 1S 0.00000 -0.00014 -0.00020 -0.00026 -0.00010 62 2S 0.00013 -0.00188 -0.00198 -0.00394 -0.00125 63 6 H 1S -0.00209 0.03229 0.03353 0.03329 0.03206 64 2S -0.00126 0.01156 0.02102 0.02026 0.02052 65 7 H 1S 0.00000 -0.00014 -0.00006 -0.00049 -0.00004 66 2S 0.00017 -0.00239 -0.00094 -0.00739 -0.00098 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00016 0.00012 0.00049 -0.00006 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00015 -0.00009 -0.00005 -0.00036 71 2PX 0.00000 -0.00023 0.00000 -0.00002 -0.00047 72 2PY 0.00000 -0.00004 -0.00020 0.00000 -0.00003 73 2PZ 0.00000 -0.00032 -0.00051 -0.00012 -0.00008 74 3S 0.00016 -0.00284 -0.00245 -0.00208 -0.00111 75 3PX 0.00010 -0.00137 -0.00028 -0.00027 0.00011 76 3PY 0.00002 -0.00059 -0.00159 -0.00027 -0.00084 77 3PZ 0.00020 -0.00300 -0.00587 -0.00185 0.00235 78 4XX 0.00000 0.00002 0.00000 0.00000 0.00008 79 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 4ZZ 0.00000 0.00000 0.00008 -0.00001 -0.00003 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00005 82 4XZ 0.00000 0.00003 0.00002 -0.00001 0.00012 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00018 0.00002 -0.00001 0.00045 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 87 2S 0.00000 -0.00004 0.00010 0.00003 -0.00055 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 -0.00004 0.00000 -0.00001 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 93 3S 0.00000 -0.00004 -0.00043 -0.00010 -0.00012 94 3PX 0.00000 -0.00018 -0.00189 -0.00009 -0.00040 95 3PY 0.00000 0.00000 0.00025 0.00001 0.00009 96 3PZ 0.00000 -0.00002 -0.00037 -0.00004 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00003 0.00000 -0.00001 105 2PX 0.00000 -0.00003 -0.00007 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00028 -0.00139 0.00000 -0.00032 109 3PX 0.00007 -0.00075 -0.00011 0.00000 -0.00007 110 3PY 0.00000 0.00000 0.00000 0.00004 0.00000 111 3PZ 0.00000 -0.00013 -0.00036 0.00000 -0.00009 112 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00002 0.00000 0.00000 124 3PX 0.00000 0.00001 -0.00001 -0.00001 0.00000 125 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00004 -0.00002 0.00000 180 19 H 1S 0.00000 0.00000 -0.00002 0.00000 -0.00001 181 2S 0.00001 -0.00027 -0.00060 0.00000 0.00012 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.26432 22 3PX 0.00000 0.08668 23 3PY 0.00000 0.00000 0.05455 24 3PZ 0.00000 0.00000 0.00000 0.11049 25 4XX -0.00234 0.00000 0.00000 0.00000 0.00095 26 4YY -0.00098 0.00000 0.00000 0.00000 -0.00012 27 4ZZ -0.00365 0.00000 0.00000 0.00000 0.00008 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00011 0.00000 -0.00143 0.00000 0.00000 32 2S 0.01191 0.00000 0.02198 0.00000 -0.00050 33 2PX 0.00000 0.01693 0.00000 0.00000 0.00000 34 2PY 0.02891 0.00000 0.01817 0.00000 -0.00124 35 2PZ 0.00000 0.00000 0.00000 0.02477 0.00000 36 3S -0.00801 0.00000 0.00597 0.00000 -0.00166 37 3PX 0.00000 0.01839 0.00000 0.00000 0.00000 38 3PY 0.00597 0.00000 0.00220 0.00000 -0.00154 39 3PZ 0.00000 0.00000 0.00000 0.04207 0.00000 40 4XX -0.00166 0.00000 -0.00154 0.00000 0.00002 41 4YY 0.00355 0.00000 0.00086 0.00000 -0.00003 42 4ZZ -0.00106 0.00000 -0.00089 0.00000 0.00001 43 4XY 0.00000 0.00077 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00100 0.00000 46 4 C 1S 0.00005 -0.00004 0.00007 -0.00001 0.00000 47 2S -0.00233 -0.00014 -0.00249 -0.00013 0.00000 48 2PX 0.00232 0.00015 0.00083 0.00081 0.00001 49 2PY -0.00784 -0.00131 -0.00408 -0.00037 0.00000 50 2PZ 0.00025 0.00024 -0.00075 -0.00042 -0.00001 51 3S -0.00575 -0.00012 0.00124 -0.00479 -0.00005 52 3PX 0.00656 -0.00236 0.00290 -0.00073 0.00017 53 3PY -0.01062 0.00252 0.00037 -0.00477 0.00001 54 3PZ -0.00054 -0.00089 -0.00195 -0.00149 -0.00007 55 4XX 0.00015 -0.00016 -0.00009 0.00040 0.00000 56 4YY 0.00030 0.00013 0.00058 -0.00021 0.00000 57 4ZZ -0.00016 0.00010 -0.00020 -0.00011 0.00000 58 4XY 0.00016 0.00000 0.00017 0.00004 0.00000 59 4XZ -0.00001 0.00001 -0.00001 0.00002 0.00000 60 4YZ 0.00015 0.00007 0.00013 0.00001 0.00000 61 5 H 1S -0.00389 -0.00182 -0.00026 -0.00108 -0.00001 62 2S -0.01349 -0.00444 -0.00136 -0.00280 -0.00031 63 6 H 1S 0.04923 0.01231 0.01321 0.01384 -0.00001 64 2S 0.04172 0.00872 0.00979 0.01225 0.00063 65 7 H 1S -0.00377 0.00007 -0.00364 0.00007 0.00000 66 2S -0.01524 0.00047 -0.01304 -0.00051 0.00016 67 8 H 1S 0.00017 0.00003 0.00032 -0.00004 0.00000 68 2S 0.00219 0.00082 0.00324 -0.00068 0.00000 69 9 C 1S 0.00013 0.00006 0.00001 0.00017 0.00000 70 2S -0.00244 -0.00021 -0.00010 -0.00321 0.00001 71 2PX -0.00250 0.00016 0.00039 -0.00314 0.00000 72 2PY 0.00149 0.00009 -0.00117 0.00068 0.00001 73 2PZ -0.00394 -0.00257 0.00017 -0.00035 0.00004 74 3S -0.00750 -0.00378 -0.00273 -0.00073 0.00015 75 3PX -0.00397 -0.00008 0.00026 -0.00099 -0.00002 76 3PY 0.00333 -0.00032 -0.00335 0.00065 0.00000 77 3PZ -0.00673 -0.00957 -0.00115 0.00369 0.00021 78 4XX 0.00033 -0.00001 -0.00005 0.00056 0.00000 79 4YY -0.00014 -0.00014 0.00003 -0.00015 0.00000 80 4ZZ -0.00002 0.00041 -0.00003 -0.00025 0.00000 81 4XY 0.00001 -0.00004 0.00001 0.00010 0.00000 82 4XZ 0.00008 -0.00001 -0.00003 0.00022 0.00000 83 4YZ 0.00008 0.00009 -0.00004 -0.00002 0.00000 84 10 H 1S 0.00013 0.00002 -0.00003 0.00021 0.00000 85 2S 0.00188 -0.00029 -0.00020 0.00284 -0.00001 86 11 H 1S 0.00003 0.00027 0.00002 -0.00120 0.00000 87 2S 0.00084 0.00045 0.00005 -0.00180 0.00000 88 12 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 89 2S 0.00002 -0.00036 -0.00002 -0.00008 0.00000 90 2PX -0.00025 -0.00221 -0.00035 -0.00048 0.00000 91 2PY -0.00008 -0.00004 -0.00002 0.00006 0.00000 92 2PZ -0.00003 -0.00037 -0.00002 0.00013 0.00000 93 3S -0.00014 -0.00280 -0.00053 -0.00076 0.00000 94 3PX -0.00120 -0.00823 -0.00106 -0.00194 -0.00002 95 3PY -0.00063 0.00085 -0.00001 0.00045 -0.00001 96 3PZ -0.00030 -0.00209 -0.00026 0.00149 -0.00001 97 4XX 0.00000 0.00008 0.00000 0.00002 0.00000 98 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 99 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 100 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 101 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S -0.00001 0.00003 0.00000 0.00001 0.00000 104 2S -0.00006 -0.00113 0.00000 -0.00020 0.00000 105 2PX 0.00051 -0.00031 0.00000 -0.00033 0.00001 106 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 107 2PZ 0.00014 -0.00002 0.00000 0.00008 0.00000 108 3S 0.00119 -0.00570 0.00000 -0.00170 0.00003 109 3PX 0.00232 0.00027 -0.00001 -0.00090 0.00031 110 3PY 0.00000 0.00001 0.00024 0.00000 0.00000 111 3PZ 0.00085 -0.00022 0.00000 0.00057 0.00010 112 4XX 0.00001 0.00031 0.00000 0.00009 0.00000 113 4YY 0.00000 -0.00005 0.00000 -0.00001 0.00000 114 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00000 0.00005 0.00000 -0.00003 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 120 2PX 0.00002 -0.00004 0.00001 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00009 0.00011 0.00002 0.00000 0.00000 124 3PX 0.00020 -0.00010 0.00001 0.00001 0.00000 125 3PY -0.00001 0.00012 -0.00003 0.00000 0.00000 126 3PZ -0.00001 0.00000 0.00000 0.00013 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00007 0.00000 -0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 154 3PX -0.00001 0.00002 0.00000 -0.00001 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00003 0.00012 0.00005 0.00000 0.00000 169 3PX 0.00000 -0.00004 0.00005 0.00000 0.00000 170 3PY 0.00001 0.00012 0.00001 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 -0.00002 -0.00002 -0.00004 0.00000 179 2S 0.00000 0.00009 -0.00029 -0.00002 0.00001 180 19 H 1S -0.00004 -0.00052 -0.00006 -0.00040 0.00000 181 2S -0.00018 -0.00069 -0.00028 -0.00012 -0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00001 0.00002 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00003 0.00001 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00112 27 4ZZ -0.00004 0.00080 28 4XY 0.00000 0.00000 0.00112 29 4XZ 0.00000 0.00000 0.00000 0.00077 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00107 31 3 C 1S -0.00028 0.00000 0.00000 0.00000 0.00000 32 2S 0.00379 -0.00048 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00207 0.00000 0.00000 34 2PY 0.00251 -0.00107 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00216 36 3S 0.00355 -0.00106 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.00077 0.00000 0.00000 38 3PY 0.00086 -0.00089 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00100 40 4XX -0.00003 0.00001 0.00000 0.00000 0.00000 41 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 42 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00012 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00004 0.00000 0.00004 0.00000 0.00002 48 2PX 0.00005 -0.00001 0.00001 0.00000 0.00009 49 2PY 0.00008 0.00001 0.00009 0.00001 0.00004 50 2PZ 0.00003 0.00000 0.00008 0.00000 0.00000 51 3S 0.00038 0.00004 0.00026 0.00000 0.00005 52 3PX 0.00006 -0.00014 0.00000 0.00000 0.00024 53 3PY 0.00038 -0.00011 0.00016 -0.00002 0.00003 54 3PZ 0.00003 0.00006 0.00017 -0.00001 0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00004 0.00000 0.00003 -0.00001 0.00003 62 2S 0.00058 -0.00004 0.00005 -0.00008 0.00012 63 6 H 1S -0.00034 0.00021 0.00199 0.00152 0.00192 64 2S -0.00034 0.00095 0.00042 0.00024 0.00042 65 7 H 1S 0.00001 0.00000 0.00003 0.00000 0.00002 66 2S -0.00032 0.00018 0.00014 0.00001 0.00013 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00002 -0.00001 -0.00001 0.00000 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00002 0.00001 0.00002 0.00000 71 2PX -0.00001 0.00005 0.00001 0.00003 0.00001 72 2PY 0.00000 0.00002 0.00000 0.00003 0.00000 73 2PZ -0.00001 0.00004 0.00002 0.00009 0.00002 74 3S -0.00016 0.00034 0.00004 0.00013 0.00005 75 3PX -0.00009 0.00029 0.00001 0.00004 0.00003 76 3PY -0.00002 0.00011 -0.00006 0.00006 -0.00004 77 3PZ -0.00019 0.00030 0.00001 0.00015 0.00008 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 -0.00001 0.00000 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 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 0.00000 0.00000 -0.00002 0.00000 0.00000 94 3PX 0.00000 0.00001 0.00000 0.00001 0.00000 95 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 96 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00002 0.00001 0.00000 0.00001 0.00000 109 3PX -0.00006 -0.00013 0.00000 0.00006 0.00000 110 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 111 3PZ -0.00001 -0.00002 0.00000 -0.00001 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00001 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05350 32 2S -0.01403 0.33137 33 2PX 0.00000 0.00000 0.37396 34 2PY 0.00000 0.00000 0.00000 0.41906 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.37852 36 3S -0.03069 0.20794 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08650 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07751 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.10543 40 4XX -0.00122 -0.00487 0.00000 0.00000 0.00000 41 4YY -0.00138 -0.00167 0.00000 0.00000 0.00000 42 4ZZ -0.00116 -0.00587 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00049 -0.00161 -0.00029 -0.00069 47 2S -0.00045 0.01003 0.02420 0.00507 0.01081 48 2PX -0.00153 0.02457 0.01112 0.01117 0.04405 49 2PY -0.00024 0.00323 0.00781 -0.00073 0.00278 50 2PZ -0.00083 0.01296 0.04059 0.00541 -0.00034 51 3S -0.00050 0.01227 0.03049 0.00116 0.00463 52 3PX -0.00113 0.01519 -0.00002 0.00500 0.02362 53 3PY -0.00037 0.00423 0.00509 0.00400 -0.00033 54 3PZ -0.00046 0.00539 0.01899 0.00229 0.00303 55 4XX -0.00007 0.00120 -0.00106 0.00056 0.00226 56 4YY 0.00001 -0.00062 -0.00057 0.00003 -0.00051 57 4ZZ 0.00000 -0.00008 0.00026 0.00002 -0.00053 58 4XY -0.00005 0.00053 0.00043 0.00039 0.00076 59 4XZ -0.00013 0.00143 0.00111 0.00043 -0.00001 60 4YZ -0.00002 0.00030 0.00074 0.00022 0.00004 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00016 0.00012 0.00049 -0.00006 63 6 H 1S 0.00000 -0.00014 -0.00006 -0.00049 -0.00004 64 2S 0.00017 -0.00239 -0.00094 -0.00739 -0.00098 65 7 H 1S -0.00209 0.03229 0.03353 0.03329 0.03206 66 2S -0.00126 0.01156 0.02102 0.02026 0.02052 67 8 H 1S 0.00000 -0.00014 -0.00020 -0.00026 -0.00010 68 2S 0.00013 -0.00188 -0.00198 -0.00394 -0.00125 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00015 -0.00009 -0.00005 -0.00036 71 2PX 0.00000 -0.00023 0.00000 -0.00002 -0.00047 72 2PY 0.00000 -0.00004 -0.00020 0.00000 -0.00003 73 2PZ 0.00000 -0.00032 -0.00051 -0.00012 -0.00008 74 3S 0.00016 -0.00284 -0.00245 -0.00208 -0.00111 75 3PX 0.00010 -0.00137 -0.00028 -0.00027 0.00011 76 3PY 0.00002 -0.00059 -0.00159 -0.00027 -0.00084 77 3PZ 0.00020 -0.00300 -0.00587 -0.00185 0.00235 78 4XX 0.00000 0.00002 0.00000 0.00000 0.00008 79 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 4ZZ 0.00000 0.00000 0.00008 -0.00001 -0.00003 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00005 82 4XZ 0.00000 0.00003 0.00002 -0.00001 0.00012 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00018 0.00002 -0.00001 0.00045 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 87 2S 0.00000 -0.00004 0.00010 0.00003 -0.00055 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00003 0.00000 -0.00001 90 2PX 0.00000 -0.00003 -0.00007 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 0.00000 -0.00028 -0.00139 0.00000 -0.00032 94 3PX 0.00007 -0.00075 -0.00011 0.00000 -0.00007 95 3PY 0.00000 0.00000 0.00000 0.00004 0.00000 96 3PZ 0.00000 -0.00013 -0.00036 0.00000 -0.00009 97 4XX 0.00000 0.00000 0.00002 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 108 3S 0.00000 -0.00004 -0.00043 -0.00010 -0.00012 109 3PX 0.00000 -0.00018 -0.00189 -0.00009 -0.00040 110 3PY 0.00000 0.00000 0.00025 0.00001 0.00009 111 3PZ 0.00000 -0.00002 -0.00037 -0.00004 0.00020 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 0.00002 0.00000 0.00000 169 3PX 0.00000 0.00001 -0.00001 -0.00001 0.00000 170 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 -0.00002 0.00000 -0.00001 179 2S 0.00001 -0.00027 -0.00060 0.00000 0.00012 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00004 -0.00002 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.26432 37 3PX 0.00000 0.08668 38 3PY 0.00000 0.00000 0.05455 39 3PZ 0.00000 0.00000 0.00000 0.11049 40 4XX -0.00234 0.00000 0.00000 0.00000 0.00095 41 4YY -0.00098 0.00000 0.00000 0.00000 -0.00012 42 4ZZ -0.00365 0.00000 0.00000 0.00000 0.00008 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00086 -0.00057 -0.00027 0.00043 -0.00006 47 2S 0.00257 0.01205 0.00199 0.00072 0.00108 48 2PX 0.01025 -0.00048 0.00775 0.01847 -0.00085 49 2PY 0.00561 0.00358 0.00381 0.00062 0.00062 50 2PZ 0.00959 0.01834 0.00299 0.00380 0.00157 51 3S -0.01656 0.02074 -0.00059 -0.01150 0.00173 52 3PX -0.00450 0.00734 0.00626 0.01675 -0.00119 53 3PY 0.00367 0.00310 0.00588 -0.00171 0.00018 54 3PZ 0.00515 0.01573 0.00141 0.01117 0.00145 55 4XX 0.00227 -0.00134 0.00047 0.00229 -0.00004 56 4YY -0.00248 -0.00055 -0.00021 -0.00075 -0.00003 57 4ZZ 0.00087 0.00130 -0.00016 -0.00091 0.00004 58 4XY 0.00011 0.00000 0.00011 0.00009 -0.00004 59 4XZ 0.00045 0.00003 0.00008 0.00008 0.00000 60 4YZ 0.00002 0.00008 0.00001 0.00002 -0.00002 61 5 H 1S 0.00017 0.00003 0.00032 -0.00004 0.00000 62 2S 0.00219 0.00082 0.00324 -0.00068 0.00000 63 6 H 1S -0.00377 0.00007 -0.00364 0.00007 0.00000 64 2S -0.01524 0.00047 -0.01304 -0.00051 0.00016 65 7 H 1S 0.04923 0.01231 0.01321 0.01384 -0.00001 66 2S 0.04172 0.00872 0.00979 0.01225 0.00063 67 8 H 1S -0.00389 -0.00182 -0.00026 -0.00108 -0.00001 68 2S -0.01349 -0.00444 -0.00136 -0.00280 -0.00031 69 9 C 1S 0.00013 0.00006 0.00001 0.00017 0.00000 70 2S -0.00244 -0.00021 -0.00010 -0.00321 0.00001 71 2PX -0.00250 0.00016 0.00039 -0.00314 0.00000 72 2PY 0.00149 0.00009 -0.00117 0.00068 0.00001 73 2PZ -0.00394 -0.00257 0.00017 -0.00035 0.00004 74 3S -0.00750 -0.00378 -0.00273 -0.00073 0.00015 75 3PX -0.00397 -0.00008 0.00026 -0.00099 -0.00002 76 3PY 0.00333 -0.00032 -0.00335 0.00065 0.00000 77 3PZ -0.00673 -0.00957 -0.00115 0.00369 0.00021 78 4XX 0.00033 -0.00001 -0.00005 0.00056 0.00000 79 4YY -0.00014 -0.00014 0.00003 -0.00015 0.00000 80 4ZZ -0.00002 0.00041 -0.00003 -0.00025 0.00000 81 4XY 0.00001 -0.00004 0.00001 0.00010 0.00000 82 4XZ 0.00008 -0.00001 -0.00003 0.00022 0.00000 83 4YZ 0.00008 0.00009 -0.00004 -0.00002 0.00000 84 10 H 1S 0.00013 0.00002 -0.00003 0.00021 0.00000 85 2S 0.00188 -0.00029 -0.00020 0.00284 -0.00001 86 11 H 1S 0.00003 0.00027 0.00002 -0.00120 0.00000 87 2S 0.00084 0.00045 0.00005 -0.00180 0.00000 88 12 C 1S -0.00001 0.00003 0.00000 0.00001 0.00000 89 2S -0.00006 -0.00113 0.00000 -0.00020 0.00000 90 2PX 0.00051 -0.00031 0.00000 -0.00033 0.00001 91 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 92 2PZ 0.00014 -0.00002 0.00000 0.00008 0.00000 93 3S 0.00119 -0.00571 0.00000 -0.00170 0.00003 94 3PX 0.00232 0.00027 -0.00001 -0.00090 0.00031 95 3PY 0.00000 0.00001 0.00024 0.00000 0.00000 96 3PZ 0.00085 -0.00022 0.00000 0.00057 0.00010 97 4XX 0.00001 0.00031 0.00000 0.00009 0.00000 98 4YY 0.00000 -0.00005 0.00000 -0.00001 0.00000 99 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 101 4XZ 0.00000 0.00005 0.00000 -0.00003 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00002 -0.00036 -0.00002 -0.00008 0.00000 105 2PX -0.00025 -0.00221 -0.00035 -0.00048 0.00000 106 2PY -0.00008 -0.00004 -0.00002 0.00006 0.00000 107 2PZ -0.00003 -0.00037 -0.00002 0.00013 0.00000 108 3S -0.00014 -0.00280 -0.00053 -0.00076 0.00000 109 3PX -0.00120 -0.00823 -0.00106 -0.00194 -0.00002 110 3PY -0.00063 0.00085 -0.00001 0.00045 -0.00001 111 3PZ -0.00030 -0.00209 -0.00026 0.00149 -0.00001 112 4XX 0.00000 0.00008 0.00000 0.00002 0.00000 113 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 115 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 116 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00003 0.00012 0.00005 0.00000 0.00000 124 3PX 0.00000 -0.00004 0.00005 0.00000 0.00000 125 3PY 0.00001 0.00012 0.00001 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 139 3PX -0.00001 0.00002 0.00000 -0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00007 0.00000 -0.00001 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 165 2PX 0.00002 -0.00004 0.00001 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00009 0.00011 0.00002 0.00000 0.00000 169 3PX 0.00020 -0.00010 0.00001 0.00001 0.00000 170 3PY -0.00001 0.00012 -0.00003 0.00000 0.00000 171 3PZ -0.00001 0.00000 0.00000 0.00013 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00004 -0.00052 -0.00006 -0.00040 0.00000 179 2S -0.00018 -0.00069 -0.00028 -0.00012 -0.00002 180 19 H 1S 0.00002 -0.00002 -0.00002 -0.00004 0.00000 181 2S 0.00000 0.00009 -0.00029 -0.00002 0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00001 0.00002 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00003 0.00001 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00112 42 4ZZ -0.00004 0.00080 43 4XY 0.00000 0.00000 0.00112 44 4XZ 0.00000 0.00000 0.00000 0.00077 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00107 46 4 C 1S 0.00001 -0.00001 -0.00005 -0.00012 -0.00003 47 2S -0.00059 0.00013 0.00055 0.00128 0.00031 48 2PX -0.00079 0.00052 0.00037 0.00088 0.00067 49 2PY 0.00004 0.00018 0.00030 0.00075 0.00020 50 2PZ -0.00050 -0.00045 0.00061 -0.00004 0.00003 51 3S -0.00122 -0.00018 0.00033 0.00037 0.00025 52 3PX -0.00066 0.00120 0.00001 0.00002 0.00020 53 3PY -0.00025 -0.00003 0.00020 0.00008 -0.00003 54 3PZ -0.00054 -0.00077 0.00011 0.00004 0.00001 55 4XX -0.00002 -0.00001 0.00001 0.00001 -0.00006 56 4YY 0.00003 0.00001 0.00000 -0.00004 0.00000 57 4ZZ 0.00000 -0.00001 -0.00005 -0.00001 -0.00001 58 4XY 0.00000 -0.00003 -0.00002 -0.00001 -0.00002 59 4XZ -0.00003 -0.00001 -0.00002 0.00005 0.00001 60 4YZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00002 -0.00001 -0.00001 0.00000 0.00000 63 6 H 1S 0.00001 0.00000 0.00003 0.00000 0.00002 64 2S -0.00032 0.00018 0.00014 0.00001 0.00013 65 7 H 1S -0.00034 0.00021 0.00199 0.00152 0.00192 66 2S -0.00034 0.00095 0.00042 0.00024 0.00042 67 8 H 1S 0.00004 0.00000 0.00003 -0.00001 0.00003 68 2S 0.00058 -0.00004 0.00005 -0.00008 0.00012 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00002 0.00001 0.00002 0.00000 71 2PX -0.00001 0.00005 0.00001 0.00003 0.00001 72 2PY 0.00000 0.00002 0.00000 0.00003 0.00000 73 2PZ -0.00001 0.00004 0.00002 0.00009 0.00002 74 3S -0.00016 0.00034 0.00004 0.00013 0.00005 75 3PX -0.00009 0.00029 0.00001 0.00004 0.00003 76 3PY -0.00002 0.00011 -0.00006 0.00006 -0.00004 77 3PZ -0.00019 0.00030 0.00001 0.00015 0.00008 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 -0.00001 0.00000 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 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 -0.00002 0.00001 0.00000 0.00001 0.00000 94 3PX -0.00006 -0.00013 0.00000 0.00006 0.00000 95 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 96 3PZ -0.00001 -0.00002 0.00000 -0.00001 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 3PX 0.00000 0.00001 0.00000 0.00001 0.00000 110 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 -0.00001 0.00001 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05588 47 2S -0.01390 0.33136 48 2PX 0.00000 0.00000 0.36493 49 2PY 0.00000 0.00000 0.00000 0.42724 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.35262 51 3S -0.03805 0.25401 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10894 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07727 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09448 55 4XX -0.00095 -0.00812 0.00000 0.00000 0.00000 56 4YY -0.00152 0.00216 0.00000 0.00000 0.00000 57 4ZZ -0.00101 -0.00708 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00017 0.00002 0.00049 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00001 0.00018 0.00028 0.00020 0.00010 65 7 H 1S 0.00000 -0.00014 -0.00035 0.00000 -0.00022 66 2S 0.00020 -0.00277 -0.00599 -0.00015 -0.00349 67 8 H 1S -0.00213 0.03297 0.00305 0.09119 0.00516 68 2S -0.00137 0.01288 0.00078 0.05326 0.00338 69 9 C 1S 0.00000 -0.00020 -0.00011 -0.00077 -0.00046 70 2S -0.00020 0.00539 0.00244 0.01452 0.00889 71 2PX -0.00008 0.00134 0.00028 0.00328 0.00315 72 2PY -0.00086 0.01753 0.00568 0.02276 0.02640 73 2PZ -0.00053 0.01024 0.00412 0.02073 0.00377 74 3S 0.00024 0.00296 0.00143 0.01982 0.00991 75 3PX -0.00002 0.00076 0.00294 0.00168 0.00193 76 3PY -0.00071 0.01147 0.00407 0.00400 0.01756 77 3PZ -0.00049 0.00732 0.00133 0.01122 -0.00216 78 4XX 0.00000 -0.00028 0.00003 -0.00033 -0.00029 79 4YY -0.00005 0.00098 0.00037 -0.00063 0.00108 80 4ZZ 0.00000 -0.00001 -0.00006 0.00041 -0.00028 81 4XY -0.00002 0.00028 0.00046 0.00031 0.00054 82 4XZ -0.00001 0.00019 0.00016 0.00037 -0.00002 83 4YZ -0.00008 0.00144 0.00048 0.00153 0.00006 84 10 H 1S 0.00000 -0.00009 -0.00012 -0.00010 -0.00019 85 2S 0.00013 -0.00182 -0.00308 -0.00138 -0.00190 86 11 H 1S 0.00000 -0.00019 0.00004 -0.00016 -0.00005 87 2S 0.00020 -0.00344 0.00020 -0.00222 -0.00269 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00015 0.00009 -0.00001 0.00012 90 2PX 0.00000 0.00011 0.00195 0.00010 0.00165 91 2PY 0.00000 -0.00001 0.00012 -0.00003 0.00009 92 2PZ 0.00000 0.00016 0.00183 0.00006 0.00130 93 3S 0.00014 0.00024 0.00128 0.00037 -0.00018 94 3PX 0.00005 -0.00060 0.00479 0.00029 0.00881 95 3PY 0.00003 -0.00054 -0.00010 0.00052 0.00047 96 3PZ 0.00002 0.00112 0.00941 0.00039 0.00292 97 4XX 0.00000 0.00002 0.00001 0.00001 0.00007 98 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 99 4ZZ 0.00000 0.00000 0.00006 0.00001 -0.00001 100 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 101 4XZ 0.00000 0.00005 0.00011 0.00001 0.00005 102 4YZ 0.00000 0.00001 0.00002 0.00000 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 105 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 106 2PY 0.00000 0.00000 -0.00002 -0.00001 -0.00002 107 2PZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 108 3S 0.00001 -0.00051 -0.00037 -0.00069 0.00024 109 3PX 0.00003 -0.00077 -0.00034 -0.00060 -0.00060 110 3PY 0.00001 -0.00037 -0.00021 -0.00032 -0.00004 111 3PZ 0.00002 -0.00074 -0.00099 -0.00049 -0.00008 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00002 0.00001 0.00000 124 3PX 0.00000 0.00000 0.00002 0.00001 -0.00001 125 3PY 0.00000 0.00002 0.00001 0.00000 -0.00001 126 3PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 140 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00001 0.00004 0.00000 0.00000 154 3PX 0.00000 0.00003 0.00001 0.00001 0.00000 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 165 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00001 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 168 3S 0.00001 -0.00019 -0.00015 0.00002 0.00006 169 3PX 0.00001 -0.00059 -0.00010 -0.00004 0.00011 170 3PY 0.00000 -0.00007 -0.00020 -0.00002 0.00004 171 3PZ 0.00001 -0.00009 0.00015 -0.00001 -0.00001 172 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00005 179 2S 0.00002 -0.00037 0.00007 -0.00001 -0.00127 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 0.00002 0.00003 0.00006 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 -0.00003 0.00000 0.00000 192 3PX 0.00000 -0.00002 -0.00015 -0.00002 -0.00003 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.34826 52 3PX 0.00000 0.12345 53 3PY 0.00000 0.00000 0.05500 54 3PZ 0.00000 0.00000 0.00000 0.08841 55 4XX -0.00815 0.00000 0.00000 0.00000 0.00154 56 4YY 0.00396 0.00000 0.00000 0.00000 -0.00027 57 4ZZ -0.00504 0.00000 0.00000 0.00000 0.00007 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00012 0.00001 0.00015 0.00001 0.00000 62 2S 0.00188 0.00017 0.00224 0.00001 0.00000 63 6 H 1S 0.00014 0.00016 0.00003 0.00006 0.00000 64 2S 0.00191 0.00198 0.00067 0.00051 0.00000 65 7 H 1S -0.00359 -0.00280 0.00013 -0.00131 0.00002 66 2S -0.01410 -0.01157 0.00026 -0.00395 0.00002 67 8 H 1S 0.05175 0.00081 0.03928 0.00303 -0.00111 68 2S 0.03044 -0.00109 0.03043 0.00352 -0.00199 69 9 C 1S -0.00006 -0.00003 -0.00087 -0.00018 0.00000 70 2S 0.00588 0.00106 0.01086 0.00390 -0.00033 71 2PX 0.00168 0.00054 0.00098 0.00120 0.00003 72 2PY 0.01304 0.00336 0.00227 0.01506 -0.00033 73 2PZ 0.01279 0.00172 0.00916 -0.00138 -0.00039 74 3S -0.01243 -0.00060 0.01068 0.00366 -0.00030 75 3PX -0.00008 0.00318 0.00006 0.00122 -0.00016 76 3PY 0.00258 0.00289 -0.00194 0.01319 -0.00044 77 3PZ 0.00530 0.00031 0.00324 -0.00440 0.00019 78 4XX -0.00141 -0.00015 -0.00062 -0.00026 0.00002 79 4YY 0.00220 0.00022 -0.00030 0.00082 -0.00004 80 4ZZ -0.00001 0.00002 0.00039 -0.00046 -0.00001 81 4XY 0.00012 0.00059 0.00003 0.00019 0.00000 82 4XZ 0.00004 0.00009 0.00005 0.00000 0.00000 83 4YZ 0.00071 0.00020 0.00007 0.00001 -0.00003 84 10 H 1S -0.00227 -0.00092 -0.00071 -0.00109 0.00003 85 2S -0.01044 -0.00477 -0.00363 -0.00119 0.00052 86 11 H 1S -0.00237 0.00022 -0.00101 -0.00139 0.00000 87 2S -0.00857 0.00026 -0.00372 -0.00529 0.00004 88 12 C 1S 0.00017 0.00004 0.00003 0.00007 0.00000 89 2S -0.00093 -0.00075 0.00011 -0.00018 0.00003 90 2PX -0.00022 0.00504 -0.00031 0.00687 0.00003 91 2PY -0.00024 0.00061 0.00084 0.00028 0.00001 92 2PZ 0.00109 0.00833 -0.00021 0.00254 0.00008 93 3S -0.00098 0.00068 -0.00068 -0.00350 0.00036 94 3PX -0.00125 0.00579 -0.00056 0.01481 0.00028 95 3PY -0.00129 0.00022 0.00207 0.00071 0.00009 96 3PZ 0.00147 0.01786 -0.00080 0.00177 0.00040 97 4XX 0.00025 0.00018 0.00002 0.00031 0.00000 98 4YY -0.00006 -0.00015 0.00000 -0.00009 0.00000 99 4ZZ -0.00008 0.00031 -0.00002 0.00002 0.00000 100 4XY 0.00002 0.00005 0.00001 0.00004 0.00000 101 4XZ 0.00020 0.00020 0.00002 0.00008 -0.00001 102 4YZ 0.00004 0.00010 0.00000 0.00002 0.00000 103 13 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 104 2S -0.00010 -0.00013 -0.00004 -0.00007 0.00000 105 2PX -0.00037 -0.00065 -0.00026 -0.00037 0.00000 106 2PY 0.00010 -0.00079 0.00053 -0.00040 0.00000 107 2PZ -0.00048 -0.00108 -0.00021 -0.00009 0.00000 108 3S -0.00254 -0.00112 -0.00153 0.00124 0.00006 109 3PX -0.00275 -0.00151 -0.00120 -0.00198 0.00010 110 3PY -0.00006 -0.00107 0.00088 0.00004 -0.00006 111 3PZ -0.00288 -0.00483 -0.00107 -0.00017 0.00013 112 4XX 0.00001 -0.00001 0.00002 -0.00001 0.00000 113 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 114 4ZZ 0.00001 -0.00001 -0.00002 -0.00001 0.00000 115 4XY -0.00001 0.00005 -0.00001 0.00007 0.00000 116 4XZ 0.00000 -0.00003 0.00002 -0.00001 0.00000 117 4YZ 0.00001 0.00009 -0.00001 0.00002 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00003 -0.00001 0.00001 0.00000 120 2PX -0.00002 0.00000 -0.00004 0.00001 0.00000 121 2PY 0.00000 0.00005 -0.00002 0.00000 0.00000 122 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 123 3S 0.00006 0.00023 0.00003 -0.00001 0.00000 124 3PX -0.00013 0.00004 -0.00006 -0.00001 0.00000 125 3PY 0.00008 0.00010 0.00004 -0.00003 0.00000 126 3PZ -0.00001 -0.00014 -0.00005 0.00004 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 -0.00002 -0.00001 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00002 -0.00009 -0.00006 0.00000 0.00000 139 3PX -0.00003 -0.00018 -0.00016 0.00000 0.00000 140 3PY 0.00000 -0.00005 -0.00002 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 -0.00001 0.00000 0.00000 0.00000 150 2PX -0.00003 -0.00004 -0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 3S -0.00006 0.00023 0.00006 -0.00001 0.00000 154 3PX -0.00023 -0.00025 -0.00003 0.00000 -0.00001 155 3PY -0.00003 -0.00006 0.00003 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00001 0.00003 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00057 -0.00001 -0.00011 0.00000 165 2PX -0.00070 0.00093 -0.00001 -0.00009 0.00001 166 2PY -0.00004 -0.00010 -0.00002 0.00000 0.00000 167 2PZ -0.00023 0.00060 0.00000 -0.00008 0.00000 168 3S 0.00028 -0.00030 -0.00001 0.00009 0.00001 169 3PX -0.00303 0.00162 -0.00016 0.00015 0.00010 170 3PY -0.00007 -0.00036 0.00034 0.00005 0.00000 171 3PZ -0.00102 0.00123 0.00002 0.00000 0.00004 172 4XX 0.00002 0.00025 0.00001 0.00008 0.00000 173 4YY 0.00000 -0.00004 0.00000 -0.00001 0.00000 174 4ZZ -0.00001 -0.00009 0.00000 -0.00001 0.00000 175 4XY 0.00001 0.00001 -0.00002 0.00000 0.00000 176 4XZ 0.00001 0.00005 0.00000 -0.00001 0.00000 177 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00070 -0.00076 0.00002 -0.00081 0.00000 179 2S -0.00328 -0.00124 0.00003 -0.00183 -0.00003 180 19 H 1S 0.00002 0.00005 -0.00003 0.00003 0.00000 181 2S 0.00030 0.00037 -0.00021 0.00030 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00001 -0.00002 0.00000 0.00001 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00004 -0.00003 0.00000 0.00000 188 2PX -0.00010 -0.00011 -0.00015 0.00000 0.00000 189 2PY 0.00003 0.00001 0.00000 -0.00001 0.00000 190 2PZ -0.00002 -0.00005 0.00000 0.00001 0.00000 191 3S -0.00029 -0.00002 -0.00027 0.00008 0.00000 192 3PX -0.00099 -0.00094 -0.00112 -0.00001 0.00000 193 3PY 0.00027 -0.00001 0.00001 -0.00002 0.00000 194 3PZ -0.00017 -0.00048 -0.00003 0.00021 0.00000 195 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 196 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 208 3PY 0.00000 -0.00001 0.00001 0.00000 0.00000 209 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00174 57 4ZZ -0.00014 0.00111 58 4XY 0.00000 0.00000 0.00062 59 4XZ 0.00000 0.00000 0.00000 0.00068 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00003 0.00001 0.00000 0.00000 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00001 65 7 H 1S 0.00000 0.00002 0.00001 0.00002 0.00000 66 2S -0.00004 0.00027 0.00003 0.00001 0.00003 67 8 H 1S 0.00585 -0.00102 0.00034 -0.00001 0.00097 68 2S 0.00496 -0.00177 0.00007 -0.00001 0.00020 69 9 C 1S -0.00003 -0.00001 -0.00002 -0.00001 -0.00008 70 2S 0.00075 0.00020 0.00030 0.00012 0.00138 71 2PX 0.00026 0.00014 0.00023 0.00027 0.00035 72 2PY -0.00092 0.00052 0.00022 0.00014 0.00131 73 2PZ 0.00152 -0.00052 0.00036 0.00002 0.00029 74 3S 0.00030 0.00053 0.00022 0.00004 0.00091 75 3PX 0.00011 0.00012 0.00023 0.00023 0.00009 76 3PY -0.00073 0.00074 0.00003 0.00001 0.00012 77 3PZ 0.00054 -0.00086 0.00010 0.00001 -0.00006 78 4XX -0.00005 0.00001 0.00000 0.00000 -0.00001 79 4YY 0.00008 -0.00010 0.00000 -0.00001 -0.00003 80 4ZZ -0.00004 0.00002 -0.00001 0.00000 -0.00001 81 4XY -0.00002 -0.00002 0.00000 -0.00001 0.00002 82 4XZ 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 83 4YZ -0.00009 0.00001 0.00001 0.00001 0.00004 84 10 H 1S -0.00001 0.00000 0.00002 0.00003 0.00000 85 2S -0.00026 -0.00007 0.00001 0.00013 -0.00005 86 11 H 1S -0.00001 0.00009 0.00000 0.00001 0.00004 87 2S -0.00028 0.00068 0.00002 0.00004 0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S -0.00001 0.00000 0.00000 0.00005 0.00000 90 2PX -0.00002 0.00007 0.00001 0.00014 0.00001 91 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 92 2PZ -0.00002 0.00000 0.00001 0.00007 0.00001 93 3S -0.00026 0.00002 0.00001 0.00022 -0.00001 94 3PX -0.00037 0.00042 0.00001 0.00024 0.00003 95 3PY -0.00001 -0.00001 0.00002 0.00004 0.00000 96 3PZ -0.00028 0.00012 0.00003 0.00014 0.00000 97 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00001 0.00000 0.00002 0.00001 109 3PX -0.00005 -0.00001 0.00001 0.00005 0.00001 110 3PY 0.00005 -0.00001 0.00001 -0.00002 0.00001 111 3PZ -0.00005 -0.00001 0.00000 0.00003 0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00001 -0.00001 0.00000 -0.00001 0.00000 169 3PX -0.00002 0.00000 0.00000 0.00001 0.00000 170 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 171 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00008 0.00000 0.00002 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21329 62 2S 0.10023 0.13687 63 6 H 1S 0.00000 -0.00041 0.21483 64 2S -0.00043 -0.00263 0.10767 0.14590 65 7 H 1S 0.00000 0.00000 0.00000 -0.00039 0.21483 66 2S 0.00000 -0.00010 -0.00039 -0.00245 0.10767 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00012 0.00000 -0.00010 -0.00041 69 9 C 1S 0.00000 0.00009 0.00000 0.00000 0.00000 70 2S -0.00008 -0.00149 0.00000 0.00012 0.00000 71 2PX 0.00000 -0.00004 0.00000 0.00012 0.00000 72 2PY -0.00037 -0.00661 0.00000 0.00014 0.00000 73 2PZ -0.00003 -0.00044 0.00000 0.00025 0.00000 74 3S -0.00282 -0.00949 0.00012 0.00181 0.00012 75 3PX -0.00007 -0.00016 0.00002 0.00054 0.00002 76 3PY -0.00375 -0.01213 0.00010 0.00122 0.00010 77 3PZ -0.00069 -0.00226 0.00016 0.00183 0.00016 78 4XX 0.00000 -0.00004 0.00000 -0.00001 0.00000 79 4YY 0.00005 0.00041 0.00000 0.00000 0.00000 80 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 81 4XY 0.00000 -0.00001 0.00000 -0.00001 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ -0.00001 -0.00013 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 -0.00012 0.00000 0.00000 0.00000 85 2S -0.00015 -0.00084 0.00000 -0.00011 0.00000 86 11 H 1S 0.00000 -0.00004 0.00000 -0.00001 0.00000 87 2S -0.00003 -0.00036 0.00000 -0.00016 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00000 0.00000 90 2PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 91 2PY 0.00000 0.00008 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00001 0.00031 0.00000 -0.00006 0.00000 94 3PX 0.00000 0.00001 0.00000 -0.00009 -0.00007 95 3PY 0.00003 0.00096 0.00000 -0.00001 0.00000 96 3PZ -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00026 0.00000 -0.00001 0.00000 105 2PX -0.00001 -0.00062 0.00000 0.00006 0.00000 106 2PY -0.00001 -0.00070 0.00000 0.00000 0.00000 107 2PZ -0.00001 -0.00103 0.00000 0.00000 0.00000 108 3S -0.00039 -0.00544 0.00000 0.00000 0.00000 109 3PX -0.00058 -0.00309 -0.00007 -0.00020 0.00000 110 3PY -0.00006 -0.00042 0.00000 -0.00002 0.00000 111 3PZ -0.00054 -0.00520 0.00000 0.00000 0.00000 112 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 116 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 120 2PX -0.00001 -0.00012 0.00000 0.00000 0.00000 121 2PY 0.00000 -0.00004 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00009 0.00000 0.00000 0.00000 123 3S 0.00002 0.00016 0.00000 -0.00002 0.00000 124 3PX -0.00027 0.00098 0.00000 -0.00002 0.00000 125 3PY 0.00006 -0.00007 0.00000 0.00000 0.00000 126 3PZ -0.00008 0.00012 0.00000 -0.00001 0.00000 127 4XX 0.00000 -0.00005 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00001 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00023 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00007 0.00000 0.00000 0.00000 140 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 154 3PX 0.00000 -0.00003 0.00000 0.00000 0.00000 155 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00006 0.00000 -0.00003 0.00007 180 19 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 181 2S -0.00004 0.00045 0.00007 0.00091 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00009 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00056 0.00000 0.00000 0.00000 204 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 206 3S -0.00002 0.00069 0.00000 0.00000 0.00000 207 3PX -0.00003 0.00385 0.00000 0.00000 0.00000 208 3PY 0.00000 -0.00020 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00030 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 211 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.14590 67 8 H 1S -0.00043 0.21329 68 2S -0.00263 0.10023 0.13687 69 9 C 1S 0.00000 0.00000 0.00009 2.05183 70 2S 0.00012 -0.00008 -0.00149 -0.01202 0.31004 71 2PX 0.00012 0.00000 -0.00004 0.00000 0.00000 72 2PY 0.00014 -0.00037 -0.00661 0.00000 0.00000 73 2PZ 0.00025 -0.00003 -0.00044 0.00000 0.00000 74 3S 0.00181 -0.00282 -0.00949 -0.03490 0.23516 75 3PX 0.00054 -0.00007 -0.00016 0.00000 0.00000 76 3PY 0.00122 -0.00375 -0.01213 0.00000 0.00000 77 3PZ 0.00183 -0.00069 -0.00226 0.00000 0.00000 78 4XX -0.00001 0.00000 -0.00004 -0.00147 0.00060 79 4YY 0.00000 0.00005 0.00041 -0.00111 -0.00570 80 4ZZ 0.00000 0.00000 -0.00009 -0.00136 -0.00131 81 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 -0.00001 -0.00013 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00012 -0.00185 0.02936 85 2S -0.00011 -0.00015 -0.00084 -0.00055 0.00917 86 11 H 1S -0.00001 0.00000 -0.00004 -0.00160 0.02632 87 2S -0.00016 -0.00003 -0.00036 -0.00027 0.00590 88 12 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 89 2S -0.00001 0.00000 -0.00026 0.00000 -0.00001 90 2PX 0.00006 -0.00001 -0.00062 0.00000 -0.00002 91 2PY 0.00000 -0.00001 -0.00070 0.00000 0.00000 92 2PZ 0.00000 -0.00001 -0.00103 0.00000 -0.00005 93 3S 0.00000 -0.00039 -0.00545 0.00002 -0.00057 94 3PX -0.00020 -0.00058 -0.00309 0.00003 -0.00079 95 3PY -0.00002 -0.00006 -0.00042 0.00000 0.00013 96 3PZ 0.00000 -0.00054 -0.00520 0.00007 -0.00137 97 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00002 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 101 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 105 2PX -0.00002 0.00000 -0.00001 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00008 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 108 3S -0.00006 0.00001 0.00031 0.00002 -0.00057 109 3PX -0.00009 0.00000 0.00001 0.00003 -0.00079 110 3PY -0.00001 0.00003 0.00096 0.00000 0.00013 111 3PZ 0.00000 -0.00001 0.00001 0.00007 -0.00137 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00001 124 3PX 0.00000 0.00000 0.00001 0.00000 -0.00002 125 3PY 0.00000 0.00000 0.00002 0.00000 -0.00004 126 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 -0.00003 0.00000 -0.00002 140 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00023 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00007 0.00000 -0.00002 155 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00016 0.00000 0.00000 165 2PX 0.00000 -0.00001 -0.00012 0.00000 0.00000 166 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00009 0.00000 0.00000 168 3S -0.00002 0.00002 0.00016 0.00000 0.00001 169 3PX -0.00002 -0.00027 0.00098 0.00000 -0.00002 170 3PY 0.00000 0.00006 -0.00007 0.00000 -0.00004 171 3PZ -0.00001 -0.00008 0.00012 0.00000 -0.00007 172 4XX 0.00000 0.00000 -0.00005 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00004 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00003 0.00000 -0.00001 0.00000 0.00000 179 2S 0.00091 -0.00004 0.00045 0.00000 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00003 0.00000 -0.00006 0.00000 0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00009 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00056 0.00000 0.00000 189 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 191 3S 0.00000 -0.00002 0.00069 0.00000 0.00000 192 3PX 0.00000 -0.00003 0.00385 0.00000 0.00000 193 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00030 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 196 4YY 0.00000 0.00000 -0.00002 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PX 0.41673 72 2PY 0.00000 0.37652 73 2PZ 0.00000 0.00000 0.39894 74 3S 0.00000 0.00000 0.00000 0.31537 75 3PX 0.11090 0.00000 0.00000 0.00000 0.09623 76 3PY 0.00000 0.09914 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.09779 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 0.00184 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00501 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00068 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 0.08854 0.00000 0.01063 0.03944 0.05598 85 2S 0.05005 0.00000 0.00616 0.01396 0.04493 86 11 H 1S 0.03531 0.00000 0.05960 0.03438 0.02397 87 2S 0.02091 0.00000 0.03725 0.00677 0.02178 88 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 89 2S -0.00001 0.00000 -0.00003 -0.00045 -0.00013 90 2PX -0.00001 0.00001 -0.00005 -0.00026 0.00000 91 2PY 0.00000 0.00000 -0.00001 -0.00021 0.00023 92 2PZ -0.00003 -0.00001 -0.00011 -0.00080 0.00012 93 3S -0.00022 0.00041 -0.00091 -0.00191 -0.00068 94 3PX -0.00010 -0.00015 -0.00144 -0.00153 0.00001 95 3PY 0.00006 -0.00020 0.00024 -0.00015 0.00042 96 3PZ -0.00057 0.00034 -0.00161 -0.00247 -0.00027 97 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 99 4ZZ 0.00000 0.00000 0.00001 0.00005 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 104 2S -0.00001 0.00000 -0.00003 -0.00045 -0.00013 105 2PX -0.00001 0.00001 -0.00005 -0.00026 0.00000 106 2PY 0.00000 0.00000 -0.00001 -0.00021 0.00023 107 2PZ -0.00003 -0.00001 -0.00011 -0.00080 0.00012 108 3S -0.00022 0.00041 -0.00091 -0.00191 -0.00068 109 3PX -0.00010 -0.00015 -0.00144 -0.00153 0.00001 110 3PY 0.00006 -0.00020 0.00024 -0.00015 0.00042 111 3PZ -0.00057 0.00034 -0.00161 -0.00247 -0.00027 112 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 114 4ZZ 0.00000 0.00000 0.00001 0.00005 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00002 -0.00014 120 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00028 121 2PY 0.00000 0.00000 0.00000 0.00004 -0.00011 122 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00018 123 3S 0.00000 -0.00011 0.00000 0.00003 -0.00004 124 3PX -0.00002 -0.00011 -0.00001 0.00002 -0.00053 125 3PY -0.00011 -0.00008 -0.00011 -0.00026 -0.00024 126 3PZ -0.00006 0.00003 -0.00003 -0.00021 -0.00060 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 135 2PX 0.00000 0.00000 0.00000 -0.00008 -0.00040 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00011 138 3S 0.00000 0.00002 0.00001 0.00010 -0.00009 139 3PX -0.00019 0.00003 0.00004 -0.00061 -0.00192 140 3PY 0.00001 -0.00001 0.00000 -0.00001 0.00002 141 3PZ -0.00008 0.00000 0.00000 -0.00031 -0.00066 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 150 2PX 0.00000 0.00000 0.00000 -0.00008 -0.00040 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00011 153 3S 0.00000 0.00002 0.00001 0.00010 -0.00009 154 3PX -0.00019 0.00003 0.00004 -0.00061 -0.00192 155 3PY 0.00001 -0.00001 0.00000 -0.00001 0.00002 156 3PZ -0.00008 0.00000 0.00000 -0.00031 -0.00066 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00002 -0.00014 165 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00028 166 2PY 0.00000 0.00000 0.00000 0.00004 -0.00011 167 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00018 168 3S 0.00000 -0.00011 0.00000 0.00003 -0.00004 169 3PX -0.00002 -0.00011 -0.00001 0.00002 -0.00053 170 3PY -0.00011 -0.00008 -0.00011 -0.00026 -0.00024 171 3PZ -0.00006 0.00003 -0.00003 -0.00021 -0.00060 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 175 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00001 179 2S 0.00000 0.00003 0.00006 0.00041 -0.00010 180 19 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00001 181 2S 0.00000 0.00003 0.00006 0.00041 -0.00010 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00001 0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 -0.00002 -0.00004 192 3PX 0.00000 0.00000 0.00000 0.00006 -0.00004 193 3PY 0.00000 0.00000 0.00000 -0.00004 0.00004 194 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00001 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00002 -0.00004 207 3PX 0.00000 0.00000 0.00000 0.00006 -0.00004 208 3PY 0.00000 0.00000 0.00000 -0.00004 0.00004 209 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00001 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 3PY 0.08615 77 3PZ 0.00000 0.09298 78 4XX 0.00000 0.00000 0.00136 79 4YY 0.00000 0.00000 -0.00022 0.00136 80 4ZZ 0.00000 0.00000 -0.00001 -0.00005 0.00077 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 0.00591 0.00546 -0.00104 -0.00075 85 2S 0.00000 0.00289 0.00473 -0.00209 -0.00158 86 11 H 1S 0.00000 0.03885 0.00046 -0.00089 0.00218 87 2S 0.00000 0.03383 0.00040 -0.00194 0.00254 88 12 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 89 2S -0.00008 -0.00031 0.00000 0.00000 0.00000 90 2PX 0.00014 0.00048 0.00000 0.00000 0.00001 91 2PY -0.00002 -0.00026 0.00000 0.00000 0.00000 92 2PZ -0.00033 0.00038 0.00000 0.00000 0.00001 93 3S 0.00083 0.00015 0.00002 -0.00003 0.00003 94 3PX -0.00025 0.00024 0.00000 -0.00005 0.00012 95 3PY -0.00066 -0.00032 -0.00001 0.00000 -0.00002 96 3PZ 0.00018 0.00158 -0.00002 -0.00011 0.00019 97 4XX -0.00001 -0.00007 0.00000 0.00000 0.00000 98 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 99 4ZZ 0.00003 0.00014 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 102 4YZ -0.00001 0.00002 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 104 2S -0.00008 -0.00031 0.00000 0.00000 0.00000 105 2PX 0.00014 0.00048 0.00000 0.00000 0.00001 106 2PY -0.00002 -0.00026 0.00000 0.00000 0.00000 107 2PZ -0.00033 0.00038 0.00000 0.00000 0.00001 108 3S 0.00083 0.00015 0.00002 -0.00003 0.00003 109 3PX -0.00025 0.00024 0.00000 -0.00005 0.00012 110 3PY -0.00066 -0.00032 -0.00001 0.00000 -0.00002 111 3PZ 0.00018 0.00158 -0.00002 -0.00011 0.00019 112 4XX -0.00001 -0.00007 0.00000 0.00000 0.00000 113 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 114 4ZZ 0.00003 0.00014 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 117 4YZ -0.00001 0.00002 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00007 -0.00003 0.00000 0.00000 0.00000 120 2PX -0.00016 0.00005 0.00000 0.00000 0.00000 121 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00007 0.00004 0.00000 0.00000 0.00000 123 3S -0.00062 -0.00037 0.00000 0.00000 0.00000 124 3PX -0.00045 0.00012 0.00000 0.00000 0.00000 125 3PY -0.00012 -0.00058 0.00000 0.00000 0.00000 126 3PZ 0.00017 0.00006 0.00001 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00001 0.00001 0.00000 0.00000 0.00000 130 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00009 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 138 3S 0.00028 0.00007 0.00000 0.00000 0.00000 139 3PX 0.00024 0.00061 -0.00001 0.00000 0.00000 140 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 141 3PZ -0.00003 -0.00021 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00002 0.00009 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 3S 0.00028 0.00007 0.00000 0.00000 0.00000 154 3PX 0.00024 0.00061 -0.00001 0.00000 0.00000 155 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00003 -0.00021 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 -0.00003 0.00000 0.00000 0.00000 165 2PX -0.00016 0.00005 0.00000 0.00000 0.00000 166 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 2PZ 0.00007 0.00004 0.00000 0.00000 0.00000 168 3S -0.00062 -0.00037 0.00000 0.00000 0.00000 169 3PX -0.00045 0.00012 0.00000 0.00000 0.00000 170 3PY -0.00012 -0.00058 0.00000 0.00000 0.00000 171 3PZ 0.00017 0.00006 0.00001 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00001 0.00001 0.00000 0.00000 0.00000 175 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00003 0.00003 0.00000 0.00000 0.00000 179 2S 0.00043 0.00039 0.00000 0.00000 0.00000 180 19 H 1S 0.00003 0.00003 0.00000 0.00000 0.00000 181 2S 0.00043 0.00039 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00002 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 192 3PX 0.00008 -0.00005 0.00000 0.00000 0.00000 193 3PY -0.00003 -0.00001 0.00000 0.00000 0.00000 194 3PZ -0.00005 -0.00003 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 207 3PX 0.00008 -0.00005 0.00000 0.00000 0.00000 208 3PY -0.00003 -0.00001 0.00000 0.00000 0.00000 209 3PZ -0.00005 -0.00003 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00076 82 4XZ 0.00000 0.00164 83 4YZ 0.00000 0.00000 0.00111 84 10 H 1S 0.00000 0.00172 0.00000 0.21329 85 2S 0.00000 0.00039 0.00000 0.10061 0.13978 86 11 H 1S 0.00000 0.00404 0.00000 -0.00044 -0.00636 87 2S 0.00000 0.00090 0.00000 -0.00632 -0.01599 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 90 2PX 0.00000 0.00001 0.00000 0.00000 -0.00002 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00006 92 2PZ 0.00000 0.00002 0.00000 -0.00001 -0.00078 93 3S 0.00000 0.00005 0.00002 -0.00016 -0.00036 94 3PX 0.00001 0.00004 0.00003 -0.00005 -0.00014 95 3PY 0.00000 -0.00001 -0.00001 0.00004 -0.00010 96 3PZ 0.00005 0.00016 0.00007 -0.00068 -0.00240 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 105 2PX 0.00000 0.00001 0.00000 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00000 0.00000 -0.00006 107 2PZ 0.00000 0.00002 0.00000 -0.00001 -0.00078 108 3S 0.00000 0.00005 0.00002 -0.00016 -0.00036 109 3PX 0.00001 0.00004 0.00003 -0.00005 -0.00014 110 3PY 0.00000 -0.00001 -0.00001 0.00004 -0.00010 111 3PZ 0.00005 0.00016 0.00007 -0.00068 -0.00240 112 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00010 121 2PY 0.00000 0.00000 0.00000 0.00000 -0.00007 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00012 123 3S 0.00000 0.00000 0.00000 0.00000 -0.00040 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00032 125 3PY 0.00000 0.00000 0.00000 -0.00008 -0.00047 126 3PZ 0.00001 0.00000 0.00000 -0.00004 0.00056 127 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00022 135 2PX 0.00000 0.00000 0.00000 -0.00001 0.00099 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00074 138 3S 0.00000 0.00000 0.00000 0.00001 0.00010 139 3PX 0.00000 0.00000 0.00000 -0.00014 0.00417 140 3PY 0.00000 0.00000 0.00000 0.00001 -0.00003 141 3PZ 0.00000 0.00000 0.00000 -0.00013 0.00270 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 143 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 144 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00022 150 2PX 0.00000 0.00000 0.00000 -0.00001 0.00099 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00074 153 3S 0.00000 0.00000 0.00000 0.00001 0.00010 154 3PX 0.00000 0.00000 0.00000 -0.00014 0.00417 155 3PY 0.00000 0.00000 0.00000 0.00001 -0.00003 156 3PZ 0.00000 0.00000 0.00000 -0.00013 0.00270 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 158 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00010 166 2PY 0.00000 0.00000 0.00000 0.00000 -0.00007 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00012 168 3S 0.00000 0.00000 0.00000 0.00000 -0.00040 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00032 170 3PY 0.00000 0.00000 0.00000 -0.00008 -0.00047 171 3PZ 0.00001 0.00000 0.00000 -0.00004 0.00056 172 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00000 0.00000 0.00000 0.00000 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 181 2S 0.00000 0.00000 0.00000 0.00000 0.00016 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 193 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 208 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 209 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.20917 87 2S 0.10234 0.13898 88 12 C 1S 0.00000 0.00000 2.05570 89 2S 0.00000 0.00002 -0.01298 0.31847 90 2PX 0.00000 0.00007 0.00000 0.00000 0.36791 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00013 0.00000 0.00000 0.00000 93 3S 0.00001 0.00047 -0.04328 0.27774 0.00000 94 3PX 0.00004 0.00097 0.00000 0.00000 0.11493 95 3PY 0.00000 -0.00009 0.00000 0.00000 0.00000 96 3PZ 0.00006 0.00166 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00106 -0.00669 0.00000 98 4YY 0.00000 0.00000 -0.00130 -0.00140 0.00000 99 4ZZ 0.00000 0.00000 -0.00118 -0.00397 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 C 1S 0.00000 0.00000 0.00000 -0.00051 0.00000 104 2S 0.00000 0.00002 -0.00051 0.01094 0.00000 105 2PX 0.00000 0.00007 0.00000 0.00000 0.01207 106 2PY 0.00000 0.00000 -0.00252 0.03887 0.00000 107 2PZ 0.00000 0.00013 0.00000 0.00000 0.00000 108 3S 0.00001 0.00047 0.00178 -0.00336 0.00000 109 3PX 0.00004 0.00097 0.00000 0.00000 0.01766 110 3PY 0.00000 -0.00009 0.00038 0.00776 0.00000 111 3PZ 0.00006 0.00166 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 -0.00046 0.00000 113 4YY 0.00000 0.00000 -0.00024 0.00319 0.00000 114 4ZZ 0.00000 0.00000 0.00000 -0.00042 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00193 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00005 -0.00003 120 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00002 121 2PY 0.00000 0.00000 0.00000 -0.00014 -0.00001 122 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00002 123 3S 0.00000 -0.00002 -0.00002 -0.00055 -0.00023 124 3PX 0.00000 0.00001 0.00000 -0.00034 -0.00006 125 3PY 0.00000 0.00002 -0.00017 0.00142 0.00082 126 3PZ 0.00000 0.00005 0.00002 -0.00029 -0.00013 127 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 128 4YY 0.00000 0.00000 0.00000 0.00002 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 138 3S 0.00000 0.00000 0.00001 0.00005 -0.00058 139 3PX 0.00000 -0.00001 0.00003 -0.00042 0.00017 140 3PY 0.00000 0.00000 0.00001 0.00005 0.00015 141 3PZ 0.00000 0.00001 0.00001 -0.00012 -0.00079 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00006 -0.00019 150 2PX 0.00000 0.00000 0.00000 -0.00018 -0.00031 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 -0.00009 -0.00032 153 3S 0.00000 0.00000 0.00008 -0.00231 -0.00477 154 3PX 0.00000 -0.00001 0.00008 -0.00192 -0.00208 155 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00007 156 3PZ 0.00000 0.00001 0.00003 -0.00082 -0.00275 157 4XX 0.00000 0.00000 0.00000 0.00001 0.00002 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 -0.00029 -0.00095 164 2S 0.00000 0.00000 -0.00030 0.00764 0.01776 165 2PX 0.00000 0.00000 -0.00096 0.01695 0.01474 166 2PY 0.00000 0.00000 -0.00040 0.00625 0.01621 167 2PZ 0.00000 0.00000 -0.00034 0.00584 0.01807 168 3S 0.00000 -0.00002 0.00070 0.00185 0.01814 169 3PX 0.00000 0.00001 0.00069 0.00078 -0.00001 170 3PY 0.00000 0.00002 0.00068 0.00064 0.00682 171 3PZ 0.00000 0.00005 0.00029 -0.00087 0.00427 172 4XX 0.00000 0.00000 -0.00005 0.00081 -0.00088 173 4YY 0.00000 0.00000 0.00001 -0.00028 -0.00017 174 4ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00006 175 4XY 0.00000 0.00000 -0.00010 0.00143 0.00117 176 4XZ 0.00000 0.00000 -0.00004 0.00061 0.00029 177 4YZ 0.00000 0.00000 -0.00004 0.00065 0.00154 178 18 H 1S 0.00000 0.00000 -0.00206 0.03267 0.01949 179 2S 0.00000 -0.00003 -0.00110 0.01289 0.01236 180 19 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00003 181 2S 0.00000 -0.00003 0.00020 -0.00288 -0.00061 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00010 0.00027 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 188 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00004 189 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00007 190 2PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 191 3S 0.00000 0.00000 0.00002 -0.00015 0.00019 192 3PX 0.00000 -0.00001 0.00007 -0.00163 -0.00043 193 3PY 0.00000 0.00000 0.00004 -0.00063 -0.00077 194 3PZ 0.00000 -0.00001 0.00002 -0.00062 -0.00089 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 209 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 2PY 0.42070 92 2PZ 0.00000 0.37981 93 3S 0.00000 0.00000 0.55077 94 3PX 0.00000 0.00000 0.00000 0.12665 95 3PY 0.07352 0.00000 0.00000 0.00000 0.06783 96 3PZ 0.00000 0.11624 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00521 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00388 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00231 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 C 1S -0.00252 0.00000 0.00178 0.00000 0.00038 104 2S 0.03887 0.00000 -0.00336 0.00000 0.00776 105 2PX 0.00000 0.00000 0.00000 0.01766 0.00000 106 2PY 0.09866 0.00000 0.03299 0.00000 0.02184 107 2PZ 0.00000 0.00953 0.00000 0.00000 0.00000 108 3S 0.03299 0.00000 -0.09801 0.00000 -0.02984 109 3PX 0.00000 0.00000 0.00000 0.02695 0.00000 110 3PY 0.02184 0.00000 -0.02984 0.00000 0.00252 111 3PZ 0.00000 0.01430 0.00000 0.00000 0.00000 112 4XX -0.00107 0.00000 -0.00120 0.00000 -0.00090 113 4YY 0.00242 0.00000 0.00425 0.00000 0.00138 114 4ZZ -0.00117 0.00000 -0.00094 0.00000 -0.00112 115 4XY 0.00000 0.00000 0.00000 0.00114 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00204 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 -0.00004 -0.00003 0.00002 119 2S -0.00021 -0.00001 -0.00017 -0.00011 -0.00160 120 2PX -0.00020 -0.00002 -0.00059 -0.00003 -0.00097 121 2PY -0.00036 -0.00004 -0.00337 0.00000 -0.00428 122 2PZ -0.00002 0.00000 -0.00055 -0.00010 -0.00019 123 3S -0.00283 -0.00060 0.00209 0.00100 -0.00413 124 3PX -0.00055 -0.00034 -0.00067 0.00044 0.00111 125 3PY 0.00202 -0.00029 0.00590 0.00235 0.00295 126 3PZ -0.00005 0.00019 -0.00168 -0.00059 0.00033 127 4XX -0.00002 0.00000 -0.00011 -0.00012 -0.00044 128 4YY 0.00008 0.00000 0.00025 0.00006 0.00055 129 4ZZ 0.00000 0.00000 -0.00010 0.00006 -0.00002 130 4XY 0.00001 0.00000 -0.00016 0.00000 -0.00028 131 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 132 4YZ 0.00001 0.00000 -0.00010 0.00009 -0.00007 133 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 134 2S 0.00000 0.00000 0.00019 -0.00045 0.00008 135 2PX -0.00001 -0.00002 -0.00009 0.00026 0.00028 136 2PY 0.00000 0.00000 -0.00014 -0.00021 -0.00009 137 2PZ -0.00001 0.00001 0.00010 -0.00064 -0.00015 138 3S -0.00009 0.00006 0.00508 -0.00340 0.00268 139 3PX -0.00011 -0.00029 -0.00192 0.00053 0.00066 140 3PY -0.00007 -0.00005 0.00245 0.00013 0.00002 141 3PZ -0.00021 0.00022 -0.00041 -0.00245 -0.00080 142 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00002 143 4YY 0.00000 0.00000 0.00000 -0.00002 0.00001 144 4ZZ 0.00000 0.00000 -0.00001 0.00003 0.00000 145 4XY 0.00000 0.00000 -0.00005 -0.00003 0.00001 146 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 147 4YZ 0.00000 0.00000 -0.00002 -0.00003 0.00000 148 16 C 1S 0.00000 0.00000 0.00012 0.00014 0.00000 149 2S 0.00000 -0.00009 -0.00277 -0.00282 0.00001 150 2PX 0.00000 -0.00028 -0.00533 -0.00305 0.00006 151 2PY -0.00002 0.00000 -0.00003 -0.00002 -0.00033 152 2PZ 0.00000 -0.00005 -0.00217 -0.00330 0.00002 153 3S 0.00002 -0.00220 -0.02289 -0.01182 -0.00002 154 3PX 0.00002 -0.00270 -0.01093 -0.00290 0.00010 155 3PY -0.00038 -0.00003 -0.00001 -0.00013 -0.00259 156 3PZ 0.00000 -0.00015 -0.00267 -0.00558 0.00003 157 4XX 0.00000 0.00003 0.00015 0.00009 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00011 0.00000 159 4ZZ 0.00000 0.00000 0.00004 0.00024 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00001 0.00002 0.00012 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 163 17 C 1S -0.00044 -0.00039 0.00105 -0.00003 -0.00095 164 2S 0.00872 0.00731 -0.00077 0.00664 0.00697 165 2PX 0.01683 0.01832 0.02627 0.00133 0.01031 166 2PY 0.00097 0.00560 0.01340 0.01072 0.00177 167 2PZ 0.00523 -0.00004 0.00962 0.01189 0.00288 168 3S 0.00737 0.00700 -0.02522 0.00893 0.00480 169 3PX 0.00242 0.00399 -0.00638 0.00087 0.00273 170 3PY 0.00261 0.00203 -0.00974 0.00242 0.00198 171 3PZ 0.00047 0.00266 -0.00174 0.00422 -0.00027 172 4XX 0.00125 0.00086 0.00376 -0.00081 0.00036 173 4YY -0.00037 -0.00023 -0.00170 -0.00007 -0.00034 174 4ZZ 0.00013 -0.00015 0.00025 0.00085 -0.00023 175 4XY 0.00016 0.00140 0.00182 0.00006 0.00003 176 4XZ 0.00061 -0.00005 0.00027 0.00002 0.00006 177 4YZ 0.00007 -0.00001 0.00071 0.00050 0.00003 178 18 H 1S 0.02495 0.05560 0.04489 0.00948 0.00981 179 2S 0.01318 0.03319 0.00299 0.00938 0.00826 180 19 H 1S -0.00052 -0.00008 -0.00319 -0.00004 -0.00297 181 2S -0.00607 -0.00104 -0.00518 -0.00092 -0.00469 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 -0.00040 -0.00007 -0.00006 184 21 H 1S 0.00000 0.00000 0.00008 0.00015 0.00002 185 2S 0.00002 0.00012 0.00239 0.00252 0.00011 186 22 O 1S 0.00000 0.00000 0.00001 -0.00004 0.00001 187 2S -0.00005 0.00000 -0.00071 0.00028 0.00041 188 2PX -0.00015 -0.00004 -0.00467 -0.00023 0.00146 189 2PY -0.00012 -0.00002 -0.00287 -0.00241 0.00104 190 2PZ -0.00004 0.00000 -0.00119 -0.00060 0.00035 191 3S -0.00205 0.00009 -0.00059 0.00309 -0.00252 192 3PX -0.00320 -0.00088 -0.02240 -0.00013 0.00361 193 3PY -0.00226 -0.00007 -0.00975 -0.00599 0.00141 194 3PZ -0.00080 -0.00015 -0.00578 -0.00256 0.00110 195 4XX 0.00002 0.00000 0.00006 -0.00002 0.00006 196 4YY 0.00002 0.00000 -0.00041 -0.00034 0.00025 197 4ZZ 0.00000 0.00000 0.00010 0.00004 -0.00005 198 4XY 0.00001 0.00001 -0.00028 0.00000 0.00021 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00000 0.00000 -0.00005 0.00002 0.00004 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00004 0.00000 0.00014 204 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 205 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00003 206 3S 0.00002 0.00000 0.00008 0.00003 0.00035 207 3PX 0.00002 0.00000 0.00054 0.00000 0.00151 208 3PY 0.00005 0.00000 0.00065 0.00004 0.00112 209 3PZ 0.00000 0.00000 0.00019 -0.00011 0.00030 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3PZ 0.13016 97 4XX 0.00000 0.00095 98 4YY 0.00000 -0.00007 0.00091 99 4ZZ 0.00000 0.00007 -0.00006 0.00083 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00099 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 C 1S 0.00000 0.00000 -0.00024 0.00000 0.00000 104 2S 0.00000 -0.00046 0.00319 -0.00042 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00193 106 2PY 0.00000 -0.00107 0.00242 -0.00117 0.00000 107 2PZ 0.01430 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00120 0.00425 -0.00094 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00114 110 3PY 0.00000 -0.00090 0.00138 -0.00112 0.00000 111 3PZ 0.02253 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00003 -0.00005 0.00000 0.00000 113 4YY 0.00000 -0.00005 0.00002 -0.00003 0.00000 114 4ZZ 0.00000 0.00000 -0.00003 0.00002 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00118 0.00000 0.00000 0.00000 0.00000 118 14 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 119 2S 0.00013 0.00000 0.00000 0.00000 0.00001 120 2PX -0.00009 0.00000 0.00001 0.00000 0.00001 121 2PY -0.00018 0.00000 0.00001 0.00000 0.00003 122 2PZ 0.00024 0.00000 0.00000 0.00000 0.00001 123 3S -0.00083 0.00003 -0.00002 0.00005 0.00009 124 3PX -0.00043 0.00000 0.00000 0.00004 0.00000 125 3PY -0.00031 -0.00003 0.00003 -0.00008 0.00009 126 3PZ 0.00073 0.00002 0.00000 0.00001 0.00003 127 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 129 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00004 0.00000 0.00000 0.00000 0.00000 136 2PY -0.00015 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00018 0.00000 0.00000 0.00000 0.00000 138 3S 0.00004 -0.00003 0.00000 0.00001 -0.00004 139 3PX -0.00038 -0.00001 -0.00001 0.00002 -0.00002 140 3PY -0.00039 -0.00002 0.00001 0.00000 0.00001 141 3PZ 0.00022 0.00001 0.00000 -0.00001 -0.00002 142 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 149 2S -0.00098 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00217 0.00001 0.00000 0.00002 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00026 0.00002 0.00000 0.00000 0.00000 153 3S -0.00362 0.00005 0.00000 0.00013 0.00000 154 3PX -0.00347 0.00004 -0.00010 0.00025 0.00000 155 3PY -0.00005 0.00000 0.00000 0.00000 -0.00003 156 3PZ 0.00004 0.00017 -0.00005 0.00000 0.00000 157 4XX 0.00023 0.00000 0.00000 0.00000 0.00000 158 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00021 -0.00004 0.00000 0.00000 -0.00007 164 2S 0.00125 0.00095 -0.00028 -0.00013 0.00107 165 2PX 0.00941 -0.00034 -0.00029 -0.00025 0.00086 166 2PY 0.00477 0.00079 -0.00028 -0.00016 0.00001 167 2PZ -0.00051 0.00058 -0.00009 -0.00011 0.00074 168 3S 0.00046 0.00154 -0.00061 -0.00023 0.00041 169 3PX 0.00157 -0.00033 0.00015 0.00028 0.00002 170 3PY -0.00091 0.00037 0.00012 -0.00043 -0.00008 171 3PZ 0.00296 0.00060 -0.00006 -0.00030 0.00009 172 4XX 0.00165 -0.00001 -0.00009 0.00002 -0.00002 173 4YY -0.00063 -0.00005 0.00002 -0.00002 0.00000 174 4ZZ -0.00043 -0.00002 -0.00002 0.00001 -0.00007 175 4XY 0.00045 -0.00001 -0.00001 -0.00006 0.00003 176 4XZ 0.00017 0.00000 -0.00004 0.00000 -0.00001 177 4YZ 0.00012 -0.00004 0.00000 0.00000 -0.00001 178 18 H 1S 0.02975 -0.00078 -0.00080 0.00196 0.00079 179 2S 0.02860 -0.00055 -0.00116 0.00252 0.00018 180 19 H 1S -0.00079 0.00000 0.00002 0.00000 0.00002 181 2S -0.00235 0.00016 -0.00009 0.00007 0.00010 182 20 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 183 2S -0.00016 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 185 2S 0.00098 0.00000 0.00000 -0.00001 0.00000 186 22 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 187 2S 0.00007 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00096 0.00000 0.00001 0.00000 0.00000 189 2PY -0.00095 0.00000 0.00002 0.00000 0.00001 190 2PZ -0.00043 0.00000 0.00000 0.00000 0.00000 191 3S 0.00095 0.00001 0.00007 -0.00001 -0.00002 192 3PX -0.00348 -0.00004 0.00030 0.00003 -0.00002 193 3PY -0.00220 -0.00003 0.00033 -0.00005 0.00016 194 3PZ -0.00259 0.00005 0.00004 -0.00001 0.00005 195 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00014 0.00000 0.00000 0.00000 0.00001 197 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 198 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 206 3S -0.00002 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 4XZ 0.00067 102 4YZ 0.00000 0.00118 103 13 C 1S 0.00000 0.00000 2.05570 104 2S 0.00000 0.00000 -0.01298 0.31847 105 2PX 0.00000 0.00000 0.00000 0.00000 0.36791 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00204 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.04328 0.27774 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.11493 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00118 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00106 -0.00669 0.00000 113 4YY 0.00000 0.00000 -0.00130 -0.00140 0.00000 114 4ZZ 0.00000 0.00000 -0.00118 -0.00397 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 -0.00020 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 -0.00029 -0.00095 119 2S 0.00000 0.00000 -0.00030 0.00764 0.01776 120 2PX 0.00000 0.00001 -0.00096 0.01695 0.01474 121 2PY 0.00000 0.00001 -0.00040 0.00625 0.01621 122 2PZ 0.00000 0.00000 -0.00034 0.00584 0.01807 123 3S 0.00000 0.00005 0.00070 0.00185 0.01814 124 3PX 0.00000 0.00003 0.00069 0.00078 -0.00001 125 3PY -0.00001 0.00002 0.00068 0.00064 0.00682 126 3PZ 0.00000 0.00001 0.00029 -0.00087 0.00427 127 4XX 0.00000 0.00000 -0.00005 0.00081 -0.00088 128 4YY 0.00000 0.00000 0.00001 -0.00028 -0.00017 129 4ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00006 130 4XY 0.00000 0.00000 -0.00010 0.00143 0.00117 131 4XZ 0.00000 0.00000 -0.00004 0.00061 0.00029 132 4YZ 0.00000 0.00000 -0.00004 0.00065 0.00154 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00006 -0.00019 135 2PX 0.00000 0.00000 0.00000 -0.00018 -0.00031 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 -0.00009 -0.00032 138 3S 0.00000 -0.00002 0.00008 -0.00231 -0.00477 139 3PX 0.00001 -0.00002 0.00008 -0.00192 -0.00208 140 3PY -0.00001 0.00001 0.00000 -0.00002 -0.00007 141 3PZ 0.00000 0.00000 0.00003 -0.00082 -0.00275 142 4XX 0.00000 0.00000 0.00000 0.00001 0.00002 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 150 2PX 0.00003 0.00000 0.00000 -0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00003 153 3S 0.00002 0.00000 0.00001 0.00005 -0.00058 154 3PX 0.00010 0.00000 0.00003 -0.00042 0.00017 155 3PY 0.00000 -0.00002 0.00001 0.00005 0.00015 156 3PZ 0.00001 0.00000 0.00001 -0.00012 -0.00079 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00004 -0.00003 0.00000 0.00000 0.00000 164 2S 0.00070 0.00042 0.00000 -0.00005 -0.00003 165 2PX 0.00043 0.00083 0.00000 -0.00006 -0.00002 166 2PY 0.00074 0.00001 0.00000 -0.00014 -0.00001 167 2PZ -0.00001 0.00000 0.00000 -0.00003 0.00002 168 3S 0.00022 0.00025 -0.00002 -0.00055 -0.00023 169 3PX 0.00001 0.00014 0.00000 -0.00034 -0.00006 170 3PY 0.00003 -0.00007 -0.00017 0.00142 0.00082 171 3PZ 0.00007 0.00004 0.00002 -0.00029 -0.00013 172 4XX 0.00001 -0.00006 0.00000 0.00000 -0.00001 173 4YY -0.00005 0.00000 0.00000 0.00002 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 176 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00001 0.00000 0.00000 0.00000 0.00001 178 18 H 1S 0.00137 0.00254 0.00000 -0.00017 -0.00003 179 2S 0.00020 0.00048 0.00020 -0.00288 -0.00061 180 19 H 1S 0.00000 0.00006 -0.00206 0.03267 0.01949 181 2S 0.00000 0.00025 -0.00110 0.01289 0.01236 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00010 0.00027 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00001 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00004 0.00000 0.00000 0.00000 193 3PY -0.00005 0.00004 0.00000 0.00001 0.00000 194 3PZ 0.00002 0.00002 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 203 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00004 204 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00007 205 2PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 206 3S 0.00000 0.00000 0.00002 -0.00015 0.00019 207 3PX 0.00000 0.00000 0.00007 -0.00163 -0.00043 208 3PY 0.00000 0.00000 0.00004 -0.00063 -0.00077 209 3PZ 0.00000 0.00000 0.00002 -0.00062 -0.00089 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 106 107 108 109 110 106 2PY 0.42070 107 2PZ 0.00000 0.37981 108 3S 0.00000 0.00000 0.55077 109 3PX 0.00000 0.00000 0.00000 0.12665 110 3PY 0.07352 0.00000 0.00000 0.00000 0.06783 111 3PZ 0.00000 0.11624 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00521 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00388 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00231 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S -0.00044 -0.00039 0.00105 -0.00003 -0.00095 119 2S 0.00872 0.00731 -0.00077 0.00664 0.00697 120 2PX 0.01683 0.01832 0.02627 0.00133 0.01031 121 2PY 0.00097 0.00560 0.01340 0.01072 0.00177 122 2PZ 0.00523 -0.00004 0.00962 0.01189 0.00288 123 3S 0.00737 0.00700 -0.02522 0.00893 0.00480 124 3PX 0.00242 0.00399 -0.00638 0.00087 0.00273 125 3PY 0.00261 0.00203 -0.00974 0.00242 0.00198 126 3PZ 0.00047 0.00266 -0.00174 0.00422 -0.00027 127 4XX 0.00125 0.00086 0.00376 -0.00081 0.00036 128 4YY -0.00037 -0.00023 -0.00170 -0.00007 -0.00034 129 4ZZ 0.00013 -0.00015 0.00025 0.00085 -0.00023 130 4XY 0.00016 0.00140 0.00182 0.00006 0.00003 131 4XZ 0.00061 -0.00005 0.00027 0.00002 0.00006 132 4YZ 0.00007 -0.00001 0.00071 0.00050 0.00003 133 15 C 1S 0.00000 0.00000 0.00012 0.00014 0.00000 134 2S 0.00000 -0.00009 -0.00277 -0.00282 0.00001 135 2PX 0.00000 -0.00028 -0.00533 -0.00305 0.00006 136 2PY -0.00002 0.00000 -0.00003 -0.00002 -0.00033 137 2PZ 0.00000 -0.00005 -0.00217 -0.00330 0.00002 138 3S 0.00002 -0.00220 -0.02289 -0.01182 -0.00002 139 3PX 0.00002 -0.00270 -0.01093 -0.00290 0.00010 140 3PY -0.00038 -0.00003 -0.00001 -0.00013 -0.00259 141 3PZ 0.00000 -0.00015 -0.00267 -0.00558 0.00003 142 4XX 0.00000 0.00003 0.00015 0.00009 0.00000 143 4YY 0.00000 0.00000 0.00000 -0.00011 0.00000 144 4ZZ 0.00000 0.00000 0.00004 0.00024 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 146 4XZ 0.00000 0.00001 0.00002 0.00012 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00000 0.00019 -0.00045 0.00008 150 2PX -0.00001 -0.00002 -0.00009 0.00026 0.00028 151 2PY 0.00000 0.00000 -0.00014 -0.00021 -0.00009 152 2PZ -0.00001 0.00001 0.00010 -0.00064 -0.00015 153 3S -0.00009 0.00006 0.00508 -0.00340 0.00268 154 3PX -0.00011 -0.00029 -0.00192 0.00053 0.00066 155 3PY -0.00007 -0.00005 0.00245 0.00013 0.00002 156 3PZ -0.00021 0.00022 -0.00041 -0.00245 -0.00080 157 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00002 158 4YY 0.00000 0.00000 0.00000 -0.00002 0.00001 159 4ZZ 0.00000 0.00000 -0.00001 0.00003 0.00000 160 4XY 0.00000 0.00000 -0.00005 -0.00003 0.00001 161 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 162 4YZ 0.00000 0.00000 -0.00002 -0.00003 0.00000 163 17 C 1S 0.00000 0.00000 -0.00004 -0.00003 0.00002 164 2S -0.00021 -0.00001 -0.00017 -0.00011 -0.00160 165 2PX -0.00020 -0.00002 -0.00059 -0.00003 -0.00097 166 2PY -0.00036 -0.00004 -0.00337 0.00000 -0.00428 167 2PZ -0.00002 0.00000 -0.00055 -0.00010 -0.00019 168 3S -0.00283 -0.00060 0.00209 0.00100 -0.00413 169 3PX -0.00055 -0.00034 -0.00067 0.00044 0.00111 170 3PY 0.00202 -0.00029 0.00590 0.00235 0.00295 171 3PZ -0.00005 0.00019 -0.00168 -0.00059 0.00033 172 4XX -0.00002 0.00000 -0.00011 -0.00012 -0.00044 173 4YY 0.00008 0.00000 0.00025 0.00006 0.00055 174 4ZZ 0.00000 0.00000 -0.00010 0.00006 -0.00002 175 4XY 0.00001 0.00000 -0.00016 0.00000 -0.00028 176 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 177 4YZ 0.00001 0.00000 -0.00010 0.00009 -0.00007 178 18 H 1S -0.00052 -0.00008 -0.00319 -0.00004 -0.00297 179 2S -0.00607 -0.00104 -0.00518 -0.00092 -0.00469 180 19 H 1S 0.02495 0.05560 0.04489 0.00948 0.00981 181 2S 0.01318 0.03319 0.00299 0.00938 0.00826 182 20 H 1S 0.00000 0.00000 0.00008 0.00015 0.00002 183 2S 0.00002 0.00012 0.00239 0.00252 0.00011 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 -0.00040 -0.00007 -0.00006 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00004 0.00000 0.00014 189 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 190 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00003 191 3S 0.00002 0.00000 0.00008 0.00003 0.00035 192 3PX 0.00002 0.00000 0.00054 0.00000 0.00151 193 3PY 0.00005 0.00000 0.00065 0.00004 0.00112 194 3PZ 0.00000 0.00000 0.00019 -0.00011 0.00030 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00001 -0.00004 0.00001 202 2S -0.00005 0.00000 -0.00071 0.00028 0.00041 203 2PX -0.00015 -0.00004 -0.00467 -0.00023 0.00146 204 2PY -0.00012 -0.00002 -0.00287 -0.00241 0.00104 205 2PZ -0.00004 0.00000 -0.00119 -0.00060 0.00035 206 3S -0.00205 0.00009 -0.00059 0.00309 -0.00252 207 3PX -0.00320 -0.00088 -0.02240 -0.00013 0.00361 208 3PY -0.00226 -0.00007 -0.00975 -0.00599 0.00141 209 3PZ -0.00080 -0.00015 -0.00578 -0.00256 0.00110 210 4XX 0.00002 0.00000 0.00006 -0.00002 0.00006 211 4YY 0.00002 0.00000 -0.00041 -0.00034 0.00025 212 4ZZ 0.00000 0.00000 0.00010 0.00004 -0.00005 213 4XY 0.00001 0.00001 -0.00028 0.00000 0.00021 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00000 0.00000 -0.00005 0.00002 0.00004 111 112 113 114 115 111 3PZ 0.13016 112 4XX 0.00000 0.00095 113 4YY 0.00000 -0.00007 0.00091 114 4ZZ 0.00000 0.00007 -0.00006 0.00083 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00099 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00021 -0.00004 0.00000 0.00000 -0.00007 119 2S 0.00125 0.00095 -0.00028 -0.00013 0.00107 120 2PX 0.00941 -0.00034 -0.00029 -0.00025 0.00086 121 2PY 0.00477 0.00079 -0.00028 -0.00016 0.00001 122 2PZ -0.00050 0.00058 -0.00009 -0.00011 0.00074 123 3S 0.00046 0.00154 -0.00061 -0.00023 0.00041 124 3PX 0.00157 -0.00033 0.00015 0.00028 0.00002 125 3PY -0.00091 0.00037 0.00012 -0.00043 -0.00008 126 3PZ 0.00296 0.00060 -0.00006 -0.00030 0.00009 127 4XX 0.00165 -0.00001 -0.00009 0.00002 -0.00002 128 4YY -0.00063 -0.00005 0.00002 -0.00002 0.00000 129 4ZZ -0.00043 -0.00002 -0.00002 0.00001 -0.00007 130 4XY 0.00045 -0.00001 -0.00001 -0.00006 0.00003 131 4XZ 0.00017 0.00000 -0.00004 0.00000 -0.00001 132 4YZ 0.00012 -0.00004 0.00000 0.00000 -0.00001 133 15 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 134 2S -0.00098 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00217 0.00001 0.00000 0.00002 0.00000 136 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00026 0.00002 0.00000 0.00000 0.00000 138 3S -0.00362 0.00005 0.00000 0.00013 0.00000 139 3PX -0.00347 0.00004 -0.00010 0.00025 0.00000 140 3PY -0.00005 0.00000 0.00000 0.00000 -0.00003 141 3PZ 0.00004 0.00017 -0.00005 0.00000 0.00000 142 4XX 0.00023 0.00000 0.00000 0.00000 0.00000 143 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00004 0.00000 0.00000 0.00000 0.00000 151 2PY -0.00015 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00018 0.00000 0.00000 0.00000 0.00000 153 3S 0.00004 -0.00003 0.00000 0.00001 -0.00004 154 3PX -0.00038 -0.00001 -0.00001 0.00002 -0.00002 155 3PY -0.00039 -0.00002 0.00001 0.00000 0.00001 156 3PZ 0.00022 0.00001 0.00000 -0.00001 -0.00002 157 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 160 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 164 2S 0.00013 0.00000 0.00000 0.00000 0.00001 165 2PX -0.00009 0.00000 0.00001 0.00000 0.00001 166 2PY -0.00018 0.00000 0.00001 0.00000 0.00003 167 2PZ 0.00024 0.00000 0.00000 0.00000 0.00001 168 3S -0.00083 0.00003 -0.00002 0.00005 0.00009 169 3PX -0.00043 0.00000 0.00000 0.00004 0.00000 170 3PY -0.00031 -0.00003 0.00003 -0.00008 0.00009 171 3PZ 0.00073 0.00002 0.00000 0.00001 0.00003 172 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00079 0.00000 0.00002 0.00000 0.00002 179 2S -0.00235 0.00016 -0.00009 0.00007 0.00010 180 19 H 1S 0.02975 -0.00078 -0.00080 0.00196 0.00079 181 2S 0.02860 -0.00055 -0.00116 0.00252 0.00018 182 20 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 183 2S 0.00098 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00016 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 191 3S -0.00002 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 202 2S 0.00007 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00096 0.00000 0.00001 0.00000 0.00000 204 2PY -0.00095 0.00000 0.00002 0.00000 0.00001 205 2PZ -0.00043 0.00000 0.00000 0.00000 0.00000 206 3S 0.00095 0.00001 0.00007 -0.00001 -0.00002 207 3PX -0.00348 -0.00004 0.00030 0.00003 -0.00002 208 3PY -0.00220 -0.00003 0.00033 -0.00005 0.00016 209 3PZ -0.00259 0.00005 0.00004 -0.00001 0.00005 210 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00014 0.00000 0.00000 0.00000 0.00001 212 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 4XZ 0.00067 117 4YZ 0.00000 0.00118 118 14 C 1S -0.00004 -0.00003 2.05381 119 2S 0.00070 0.00042 -0.01557 0.35855 120 2PX 0.00043 0.00083 0.00000 0.00000 0.37725 121 2PY 0.00074 0.00001 0.00000 0.00000 0.00000 122 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 123 3S 0.00022 0.00025 -0.02761 0.20695 0.00000 124 3PX 0.00001 0.00014 0.00000 0.00000 0.04912 125 3PY 0.00003 -0.00007 0.00000 0.00000 0.00000 126 3PZ 0.00007 0.00004 0.00000 0.00000 0.00000 127 4XX 0.00001 -0.00006 -0.00100 -0.00848 0.00000 128 4YY -0.00005 0.00000 -0.00121 -0.00258 0.00000 129 4ZZ 0.00000 0.00000 -0.00087 -0.01095 0.00000 130 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00026 -0.00074 134 2S 0.00000 0.00000 -0.00028 0.00696 0.01363 135 2PX 0.00003 0.00000 -0.00076 0.01438 0.00912 136 2PY 0.00000 0.00000 -0.00045 0.00897 0.01375 137 2PZ 0.00001 0.00000 -0.00046 0.00861 0.01859 138 3S 0.00002 0.00000 0.00103 -0.00201 0.02005 139 3PX 0.00010 0.00000 0.00037 0.00303 -0.00063 140 3PY 0.00000 -0.00002 -0.00110 0.00723 0.00994 141 3PZ 0.00001 0.00000 0.00011 0.00221 0.01012 142 4XX 0.00000 0.00000 -0.00003 0.00056 -0.00045 143 4YY 0.00000 0.00000 0.00000 -0.00022 -0.00012 144 4ZZ 0.00000 0.00000 -0.00001 0.00015 0.00012 145 4XY 0.00000 0.00000 -0.00006 0.00095 0.00057 146 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00024 147 4YZ 0.00000 0.00000 -0.00004 0.00059 0.00091 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00006 -0.00006 150 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00003 151 2PY 0.00000 0.00000 0.00000 -0.00025 -0.00015 152 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00001 153 3S 0.00000 -0.00002 -0.00007 0.00003 -0.00028 154 3PX 0.00001 -0.00002 -0.00004 0.00011 0.00002 155 3PY -0.00001 0.00001 0.00000 -0.00145 -0.00029 156 3PZ 0.00000 0.00000 -0.00002 -0.00006 -0.00007 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00001 0.00002 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00001 0.00000 -0.00002 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00005 0.00003 -0.00048 0.00000 169 3PX 0.00000 0.00003 0.00000 0.00000 -0.00014 170 3PY -0.00001 0.00002 0.00009 -0.00129 0.00000 171 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00006 0.00000 0.00000 0.00000 179 2S 0.00000 0.00025 0.00000 0.00009 0.00013 180 19 H 1S 0.00137 0.00254 0.00000 -0.00017 -0.00043 181 2S 0.00020 0.00048 0.00025 -0.00376 -0.00566 182 20 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00040 183 2S 0.00000 0.00000 0.00025 -0.00356 -0.00611 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00009 0.00013 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 -0.00026 -0.00001 202 2S 0.00000 0.00000 -0.00015 0.00379 0.00021 203 2PX 0.00000 0.00000 -0.00002 0.00032 0.01235 204 2PY 0.00000 0.00000 -0.00178 0.04272 0.00169 205 2PZ 0.00000 0.00000 -0.00001 0.00021 -0.00024 206 3S 0.00000 0.00001 -0.00082 -0.01267 -0.00005 207 3PX 0.00000 0.00004 -0.00006 0.00042 0.02139 208 3PY -0.00005 0.00004 -0.00832 0.06356 0.00139 209 3PZ 0.00002 0.00002 -0.00004 0.00030 -0.00027 210 4XX 0.00000 0.00000 0.00001 -0.00068 0.00002 211 4YY 0.00000 0.00000 -0.00082 0.00785 0.00032 212 4ZZ 0.00000 0.00000 0.00001 -0.00066 -0.00001 213 4XY 0.00000 0.00000 -0.00002 0.00010 0.00381 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 215 4YZ 0.00000 0.00000 -0.00001 0.00006 -0.00002 121 122 123 124 125 121 2PY 0.42606 122 2PZ 0.00000 0.32857 123 3S 0.00000 0.00000 0.22567 124 3PX 0.00000 0.00000 0.00000 0.04066 125 3PY -0.00339 0.00000 0.00000 0.00000 0.03597 126 3PZ 0.00000 0.07015 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00375 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.00438 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00507 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00042 -0.00046 0.00016 0.00028 -0.00011 134 2S 0.00696 0.00858 0.00574 0.00011 0.00418 135 2PX 0.01360 0.01904 0.01506 0.00009 0.00615 136 2PY 0.00173 0.00898 0.00832 0.00257 0.00194 137 2PZ 0.00891 0.00070 0.00942 0.00334 0.00427 138 3S 0.01407 0.01069 -0.00943 -0.00072 -0.00327 139 3PX 0.01020 0.01032 0.00506 0.00056 0.00115 140 3PY 0.00167 0.00653 0.00483 0.00145 0.00058 141 3PZ 0.00634 -0.00047 0.00406 0.00292 0.00140 142 4XX 0.00054 0.00041 0.00079 -0.00031 -0.00016 143 4YY -0.00032 -0.00008 -0.00060 -0.00010 0.00009 144 4ZZ 0.00005 -0.00020 0.00036 0.00048 -0.00008 145 4XY 0.00006 0.00092 0.00050 0.00000 -0.00012 146 4XZ 0.00084 0.00000 0.00026 0.00000 0.00004 147 4YZ 0.00003 0.00007 0.00028 0.00013 -0.00006 148 16 C 1S 0.00000 0.00000 0.00001 0.00002 -0.00014 149 2S -0.00017 -0.00004 -0.00077 -0.00052 0.00147 150 2PX -0.00007 0.00001 -0.00109 0.00005 -0.00052 151 2PY -0.00045 -0.00012 -0.00274 -0.00067 0.00256 152 2PZ -0.00002 -0.00001 -0.00050 -0.00032 0.00000 153 3S -0.00416 0.00007 0.00036 -0.00207 0.00433 154 3PX -0.00048 0.00000 -0.00114 0.00062 -0.00028 155 3PY -0.00419 -0.00004 -0.00446 0.00032 0.00251 156 3PZ -0.00013 0.00000 -0.00035 -0.00080 0.00031 157 4XX 0.00000 0.00000 0.00004 0.00002 -0.00010 158 4YY 0.00002 0.00001 0.00002 0.00000 0.00007 159 4ZZ 0.00000 0.00000 0.00004 0.00002 -0.00005 160 4XY 0.00003 0.00002 0.00012 0.00000 0.00011 161 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 162 4YZ 0.00002 0.00000 0.00007 0.00003 0.00007 163 17 C 1S 0.00000 0.00000 0.00003 0.00000 0.00009 164 2S -0.00002 0.00000 -0.00048 0.00000 -0.00129 165 2PX 0.00000 0.00000 0.00000 -0.00014 0.00000 166 2PY -0.00006 0.00000 -0.00077 0.00000 0.00057 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00077 0.00000 -0.00358 0.00000 -0.00493 169 3PX 0.00000 0.00000 0.00000 0.00023 0.00000 170 3PY 0.00057 0.00000 -0.00493 0.00000 -0.00137 171 3PZ 0.00000 -0.00008 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 173 4YY 0.00000 0.00000 -0.00002 0.00000 0.00010 174 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00002 175 4XY 0.00000 0.00000 0.00000 -0.00004 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00008 0.00007 0.00000 179 2S 0.00012 0.00005 0.00107 0.00067 -0.00001 180 19 H 1S -0.00002 -0.00020 -0.00293 -0.00144 -0.00055 181 2S 0.00009 -0.00302 -0.00994 -0.00332 -0.00101 182 20 H 1S -0.00002 -0.00023 -0.00262 -0.00034 -0.00053 183 2S 0.00010 -0.00341 -0.01062 -0.00070 -0.00115 184 21 H 1S 0.00000 0.00000 0.00009 0.00006 0.00003 185 2S 0.00016 0.00008 0.00128 0.00064 0.00037 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 192 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 193 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00014 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00198 -0.00001 0.00154 0.00000 0.00027 202 2S 0.02886 0.00018 -0.02282 -0.00005 -0.01433 203 2PX 0.00175 -0.00024 0.00041 0.01758 -0.00030 204 2PY 0.10300 0.00136 0.02216 0.00008 -0.00467 205 2PZ 0.00131 0.01971 0.00015 -0.00007 -0.00011 206 3S 0.00881 -0.00016 -0.07513 -0.00022 -0.02238 207 3PX 0.00150 -0.00027 0.00089 0.03941 -0.00053 208 3PY 0.05542 0.00115 0.04105 0.00013 -0.00172 209 3PZ 0.00119 0.03788 0.00029 -0.00010 -0.00020 210 4XX -0.00094 0.00000 -0.00045 -0.00002 0.00121 211 4YY 0.00968 0.00026 0.00588 0.00006 -0.00155 212 4ZZ -0.00086 0.00001 -0.00056 0.00000 0.00106 213 4XY 0.00028 -0.00002 0.00004 0.00121 -0.00001 214 4XZ 0.00001 0.00004 0.00000 0.00001 0.00000 215 4YZ 0.00019 0.00454 0.00002 -0.00001 0.00000 126 127 128 129 130 126 3PZ 0.06508 127 4XX 0.00000 0.00216 128 4YY 0.00000 -0.00040 0.00226 129 4ZZ 0.00000 0.00032 -0.00023 0.00175 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00399 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00011 -0.00002 0.00000 -0.00001 -0.00009 134 2S 0.00086 0.00039 -0.00024 0.00017 0.00148 135 2PX 0.00419 -0.00075 -0.00016 0.00043 0.00085 136 2PY 0.00138 0.00065 -0.00042 0.00043 0.00028 137 2PZ 0.00111 0.00048 -0.00017 -0.00027 0.00167 138 3S -0.00416 0.00128 -0.00107 0.00179 0.00161 139 3PX 0.00233 -0.00061 -0.00037 0.00153 0.00000 140 3PY 0.00197 -0.00002 -0.00025 -0.00010 0.00000 141 3PZ 0.00309 0.00116 -0.00028 -0.00054 0.00044 142 4XX 0.00053 0.00001 -0.00005 0.00001 -0.00001 143 4YY 0.00011 -0.00005 0.00002 -0.00003 -0.00001 144 4ZZ -0.00038 0.00000 -0.00002 0.00000 -0.00005 145 4XY 0.00017 -0.00003 0.00000 -0.00009 0.00003 146 4XZ 0.00003 0.00002 -0.00007 0.00000 0.00002 147 4YZ 0.00001 -0.00009 0.00000 0.00000 -0.00002 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00015 0.00000 0.00002 0.00000 0.00000 150 2PX -0.00032 0.00000 0.00000 0.00001 -0.00001 151 2PY -0.00029 -0.00001 0.00009 -0.00001 0.00001 152 2PZ 0.00013 0.00001 0.00000 0.00000 0.00002 153 3S 0.00025 -0.00010 0.00024 -0.00015 -0.00017 154 3PX -0.00065 -0.00009 -0.00003 0.00013 0.00000 155 3PY 0.00102 -0.00012 0.00040 -0.00019 -0.00024 156 3PZ -0.00016 0.00015 -0.00001 -0.00010 0.00012 157 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00008 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 -0.00002 0.00002 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 -0.00004 170 3PY 0.00000 0.00001 0.00010 0.00002 0.00000 171 3PZ 0.00013 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 179 2S 0.00023 0.00000 -0.00001 0.00000 0.00001 180 19 H 1S -0.00034 0.00003 -0.00001 0.00004 -0.00001 181 2S 0.00008 0.00022 -0.00019 0.00057 -0.00006 182 20 H 1S -0.00078 0.00005 -0.00001 0.00002 0.00000 183 2S -0.00206 0.00055 -0.00022 0.00025 -0.00005 184 21 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 185 2S 0.00038 0.00000 -0.00001 0.00000 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00001 -0.00074 0.00000 -0.00002 202 2S 0.00001 -0.00067 0.00815 -0.00056 0.00017 203 2PX -0.00007 0.00010 0.00029 0.00000 0.00738 204 2PY 0.00021 -0.00145 0.00257 -0.00134 0.00036 205 2PZ 0.02349 -0.00001 0.00015 0.00004 0.00006 206 3S -0.00022 -0.00255 0.01163 -0.00197 0.00007 207 3PX -0.00010 -0.00008 0.00025 0.00004 0.00801 208 3PY 0.00029 -0.00439 0.00160 -0.00407 0.00009 209 3PZ 0.05178 -0.00002 0.00013 -0.00003 0.00003 210 4XX 0.00000 0.00007 -0.00013 0.00002 0.00001 211 4YY 0.00008 -0.00024 -0.00002 -0.00025 0.00004 212 4ZZ -0.00002 0.00002 -0.00010 0.00006 0.00000 213 4XY -0.00001 0.00001 0.00003 0.00000 0.00061 214 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00169 0.00000 0.00001 0.00001 0.00000 131 132 133 134 135 131 4XZ 0.00058 132 4YZ 0.00000 0.00308 133 15 C 1S -0.00005 -0.00005 2.05488 134 2S 0.00075 0.00081 -0.01440 0.33152 135 2PX 0.00018 0.00153 0.00000 0.00000 0.38170 136 2PY 0.00080 0.00013 0.00000 0.00000 0.00000 137 2PZ -0.00004 0.00005 0.00000 0.00000 0.00000 138 3S 0.00040 0.00096 -0.03683 0.26104 0.00000 139 3PX 0.00000 0.00044 0.00000 0.00000 0.10319 140 3PY 0.00009 0.00001 0.00000 0.00000 0.00000 141 3PZ 0.00003 0.00002 0.00000 0.00000 0.00000 142 4XX 0.00002 -0.00003 -0.00131 -0.00375 0.00000 143 4YY -0.00003 -0.00001 -0.00144 -0.00045 0.00000 144 4ZZ 0.00000 0.00000 -0.00112 -0.00711 0.00000 145 4XY -0.00001 -0.00001 0.00000 0.00000 0.00000 146 4XZ 0.00002 0.00001 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 -0.00076 0.00000 149 2S 0.00000 0.00000 -0.00076 0.01412 0.00000 150 2PX 0.00000 0.00002 0.00000 0.00000 0.01479 151 2PY 0.00000 0.00001 -0.00368 0.04861 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 -0.00008 0.00138 -0.00495 0.00000 154 3PX 0.00000 0.00010 0.00000 0.00000 0.01962 155 3PY -0.00002 -0.00016 -0.00031 0.00983 0.00000 156 3PZ 0.00000 0.00005 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00062 0.00000 158 4YY 0.00000 0.00000 -0.00031 0.00344 0.00000 159 4ZZ 0.00000 0.00000 0.00000 -0.00053 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00259 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00006 -0.00003 165 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00003 166 2PY 0.00000 0.00000 0.00000 -0.00017 -0.00007 167 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00001 168 3S 0.00000 0.00000 0.00001 -0.00077 -0.00109 169 3PX 0.00000 0.00000 0.00002 -0.00052 0.00005 170 3PY 0.00000 0.00000 -0.00014 0.00147 -0.00052 171 3PZ 0.00000 -0.00002 0.00000 -0.00015 -0.00032 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 175 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 180 19 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 181 2S 0.00020 -0.00003 0.00000 0.00012 0.00028 182 20 H 1S 0.00004 0.00000 -0.00204 0.03246 0.04617 183 2S 0.00011 -0.00003 -0.00101 0.01109 0.02858 184 21 H 1S 0.00000 0.00000 0.00000 -0.00021 -0.00008 185 2S 0.00000 0.00000 0.00021 -0.00301 -0.00129 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00002 0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 202 2S 0.00001 0.00009 0.00000 -0.00002 -0.00001 203 2PX 0.00003 0.00006 0.00000 -0.00004 -0.00002 204 2PY 0.00002 0.00015 0.00000 -0.00005 -0.00006 205 2PZ 0.00004 0.00633 0.00000 -0.00003 -0.00004 206 3S 0.00001 0.00004 0.00000 -0.00007 0.00025 207 3PX 0.00003 0.00003 0.00005 -0.00141 -0.00002 208 3PY 0.00001 0.00003 0.00004 -0.00089 -0.00052 209 3PZ 0.00004 0.00667 0.00004 -0.00100 -0.00084 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00002 0.00000 -0.00001 -0.00001 212 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 215 4YZ 0.00001 0.00064 0.00000 0.00000 0.00001 136 137 138 139 140 136 2PY 0.44170 137 2PZ 0.00000 0.35287 138 3S 0.00000 0.00000 0.46783 139 3PX 0.00000 0.00000 0.00000 0.10016 140 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 141 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 144 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00368 0.00000 0.00138 0.00000 -0.00031 149 2S 0.04861 0.00000 -0.00495 0.00000 0.00983 150 2PX 0.00000 0.00000 0.00000 0.01962 0.00000 151 2PY 0.10831 0.00000 0.03436 0.00000 0.01602 152 2PZ 0.00000 0.02369 0.00000 0.00000 0.00000 153 3S 0.03436 0.00000 -0.10064 0.00000 -0.02511 154 3PX 0.00000 0.00000 0.00000 0.02966 0.00000 155 3PY 0.01602 0.00000 -0.02511 0.00000 0.00037 156 3PZ 0.00000 0.03262 0.00000 0.00000 0.00000 157 4XX -0.00151 0.00000 -0.00130 0.00000 -0.00127 158 4YY 0.00225 0.00000 0.00387 0.00000 0.00100 159 4ZZ -0.00130 0.00000 -0.00093 0.00000 -0.00091 160 4XY 0.00000 0.00000 0.00000 0.00111 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00254 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 -0.00007 -0.00004 0.00000 164 2S -0.00025 -0.00002 0.00003 0.00011 -0.00145 165 2PX -0.00015 0.00001 -0.00028 0.00002 -0.00029 166 2PY -0.00045 -0.00002 -0.00416 -0.00048 -0.00419 167 2PZ -0.00012 -0.00001 0.00007 0.00000 -0.00004 168 3S -0.00274 -0.00050 0.00036 -0.00114 -0.00446 169 3PX -0.00067 -0.00032 -0.00207 0.00062 0.00032 170 3PY 0.00256 0.00000 0.00433 -0.00028 0.00251 171 3PZ -0.00029 0.00013 0.00025 -0.00065 0.00102 172 4XX -0.00001 0.00001 -0.00010 -0.00009 -0.00012 173 4YY 0.00009 0.00000 0.00024 -0.00003 0.00040 174 4ZZ -0.00001 0.00000 -0.00015 0.00013 -0.00019 175 4XY 0.00001 0.00002 -0.00017 0.00000 -0.00024 176 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 177 4YZ 0.00001 0.00000 -0.00008 0.00010 -0.00016 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 180 19 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 181 2S 0.00003 0.00012 0.00230 0.00225 0.00018 182 20 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 183 2S 0.01534 0.01536 0.00533 0.02216 0.00724 184 21 H 1S -0.00064 -0.00005 -0.00364 -0.00047 -0.00299 185 2S -0.00717 -0.00074 -0.00559 -0.00227 -0.00570 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 189 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 190 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 191 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 192 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 193 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 194 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 195 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 196 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 202 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 203 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 204 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 205 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 206 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 207 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 208 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 209 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 210 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 211 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 212 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 213 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 215 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 141 142 143 144 145 141 3PZ 0.11851 142 4XX 0.00000 0.00077 143 4YY 0.00000 -0.00008 0.00077 144 4ZZ 0.00000 0.00014 -0.00003 0.00068 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00031 0.00000 0.00000 149 2S 0.00000 -0.00062 0.00344 -0.00053 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00259 151 2PY 0.00000 -0.00151 0.00225 -0.00130 0.00000 152 2PZ 0.03262 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00130 0.00387 -0.00093 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00111 155 3PY 0.00000 -0.00127 0.00100 -0.00091 0.00000 156 3PZ 0.05159 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00003 -0.00004 0.00001 0.00000 158 4YY 0.00000 -0.00004 0.00003 -0.00005 0.00000 159 4ZZ 0.00000 0.00001 -0.00005 0.00003 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00024 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00129 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 164 2S -0.00006 0.00000 0.00000 0.00000 0.00001 165 2PX -0.00007 0.00000 0.00001 0.00000 0.00001 166 2PY -0.00013 0.00000 0.00002 0.00000 0.00003 167 2PZ 0.00000 0.00000 0.00001 0.00000 0.00002 168 3S -0.00035 0.00004 0.00002 0.00004 0.00012 169 3PX -0.00080 0.00002 0.00000 0.00002 0.00000 170 3PY 0.00031 -0.00010 0.00007 -0.00005 0.00011 171 3PZ -0.00016 0.00002 0.00001 0.00000 0.00004 172 4XX 0.00015 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00012 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00019 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 181 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 182 20 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 183 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 184 21 H 1S -0.00032 0.00000 0.00002 0.00000 0.00006 185 2S -0.00117 0.00014 -0.00013 0.00013 0.00026 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S -0.00001 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 193 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 202 2S 0.00008 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 205 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 206 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 207 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 208 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 209 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 210 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 212 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 4XZ 0.00063 147 4YZ 0.00000 0.00105 148 16 C 1S 0.00000 0.00000 2.05488 149 2S 0.00000 0.00000 -0.01440 0.33152 150 2PX 0.00000 0.00000 0.00000 0.00000 0.38170 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00254 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.03683 0.26103 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.10319 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00129 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00131 -0.00375 0.00000 158 4YY 0.00000 0.00000 -0.00144 -0.00045 0.00000 159 4ZZ 0.00000 0.00000 -0.00112 -0.00711 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00006 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 -0.00028 -0.00076 164 2S 0.00000 0.00001 -0.00026 0.00696 0.01438 165 2PX 0.00000 0.00002 -0.00074 0.01363 0.00912 166 2PY 0.00000 0.00002 -0.00042 0.00696 0.01360 167 2PZ 0.00000 0.00000 -0.00046 0.00858 0.01904 168 3S 0.00001 0.00007 0.00016 0.00574 0.01506 169 3PX 0.00000 0.00003 0.00028 0.00011 0.00009 170 3PY 0.00000 0.00007 -0.00011 0.00418 0.00615 171 3PZ 0.00000 0.00000 0.00011 0.00086 0.00419 172 4XX 0.00000 0.00000 -0.00002 0.00039 -0.00075 173 4YY 0.00000 0.00000 0.00000 -0.00024 -0.00016 174 4ZZ 0.00000 0.00000 -0.00001 0.00017 0.00043 175 4XY 0.00000 0.00000 -0.00009 0.00148 0.00085 176 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00018 177 4YZ 0.00000 0.00000 -0.00005 0.00081 0.00153 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00012 0.00028 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 182 20 H 1S 0.00156 0.00134 0.00000 -0.00021 -0.00008 183 2S 0.00023 0.00028 0.00021 -0.00301 -0.00129 184 21 H 1S 0.00000 0.00003 -0.00204 0.03246 0.04617 185 2S 0.00001 0.00014 -0.00101 0.01109 0.02857 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 188 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00002 189 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00006 190 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00004 191 3S 0.00000 0.00000 0.00000 -0.00007 0.00025 192 3PX 0.00000 0.00000 0.00005 -0.00141 -0.00002 193 3PY 0.00000 0.00000 0.00004 -0.00089 -0.00052 194 3PZ 0.00000 0.00000 0.00004 -0.00100 -0.00084 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00010 0.00000 0.00000 0.00000 208 3PY -0.00004 0.00013 0.00000 0.00002 0.00001 209 3PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 2PY 0.44170 152 2PZ 0.00000 0.35287 153 3S 0.00000 0.00000 0.46783 154 3PX 0.00000 0.00000 0.00000 0.10016 155 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 156 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00045 -0.00046 0.00103 0.00037 -0.00110 164 2S 0.00897 0.00861 -0.00201 0.00303 0.00722 165 2PX 0.01375 0.01859 0.02005 -0.00063 0.00994 166 2PY 0.00173 0.00891 0.01407 0.01020 0.00167 167 2PZ 0.00898 0.00070 0.01069 0.01032 0.00652 168 3S 0.00832 0.00942 -0.00943 0.00506 0.00483 169 3PX 0.00257 0.00334 -0.00072 0.00056 0.00145 170 3PY 0.00194 0.00426 -0.00327 0.00115 0.00058 171 3PZ 0.00138 0.00111 -0.00416 0.00233 0.00197 172 4XX 0.00065 0.00048 0.00128 -0.00061 -0.00002 173 4YY -0.00042 -0.00017 -0.00107 -0.00037 -0.00025 174 4ZZ 0.00043 -0.00027 0.00179 0.00153 -0.00010 175 4XY 0.00028 0.00167 0.00161 0.00000 0.00000 176 4XZ 0.00080 -0.00004 0.00040 0.00000 0.00009 177 4YZ 0.00013 0.00005 0.00096 0.00044 0.00001 178 18 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 179 2S 0.00003 0.00012 0.00230 0.00225 0.00018 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 181 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 182 20 H 1S -0.00064 -0.00005 -0.00364 -0.00047 -0.00299 183 2S -0.00717 -0.00074 -0.00559 -0.00227 -0.00570 184 21 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 185 2S 0.01534 0.01536 0.00533 0.02216 0.00724 186 22 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 187 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 188 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 189 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 190 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 191 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 192 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 193 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 194 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 195 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 196 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 197 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 198 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 200 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 204 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 205 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 206 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 207 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 208 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 209 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 210 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 211 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 157 158 159 160 156 3PZ 0.11851 157 4XX 0.00000 0.00077 158 4YY 0.00000 -0.00008 0.00077 159 4ZZ 0.00000 0.00014 -0.00003 0.00068 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00011 -0.00003 0.00000 -0.00001 -0.00006 164 2S 0.00221 0.00056 -0.00022 0.00015 0.00095 165 2PX 0.01012 -0.00045 -0.00012 0.00012 0.00057 166 2PY 0.00634 0.00054 -0.00032 0.00005 0.00006 167 2PZ -0.00047 0.00041 -0.00008 -0.00020 0.00092 168 3S 0.00406 0.00079 -0.00060 0.00036 0.00050 169 3PX 0.00292 -0.00031 -0.00010 0.00048 0.00000 170 3PY 0.00140 -0.00016 0.00009 -0.00008 -0.00012 171 3PZ 0.00309 0.00053 0.00011 -0.00038 0.00017 172 4XX 0.00116 0.00001 -0.00005 0.00000 -0.00003 173 4YY -0.00028 -0.00005 0.00002 -0.00002 0.00000 174 4ZZ -0.00054 0.00001 -0.00003 0.00000 -0.00009 175 4XY 0.00044 -0.00001 -0.00001 -0.00005 0.00003 176 4XZ 0.00003 0.00002 -0.00003 0.00000 -0.00001 177 4YZ 0.00002 -0.00003 -0.00001 0.00000 -0.00001 178 18 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 179 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00019 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00032 0.00000 0.00002 0.00000 0.00006 183 2S -0.00117 0.00014 -0.00013 0.00013 0.00026 184 21 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 185 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 186 22 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 187 2S 0.00008 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 190 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 191 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 192 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 193 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 194 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 195 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 197 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00001 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 208 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00063 162 4YZ 0.00000 0.00105 163 17 C 1S -0.00005 -0.00004 2.05381 164 2S 0.00075 0.00059 -0.01557 0.35855 165 2PX 0.00024 0.00091 0.00000 0.00000 0.37725 166 2PY 0.00084 0.00003 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00007 0.00000 0.00000 0.00000 168 3S 0.00026 0.00028 -0.02761 0.20695 0.00000 169 3PX 0.00000 0.00013 0.00000 0.00000 0.04912 170 3PY 0.00004 -0.00006 0.00000 0.00000 0.00000 171 3PZ 0.00003 0.00001 0.00000 0.00000 0.00000 172 4XX 0.00002 -0.00009 -0.00100 -0.00848 0.00000 173 4YY -0.00007 0.00000 -0.00121 -0.00258 0.00000 174 4ZZ 0.00000 0.00000 -0.00087 -0.01095 0.00000 175 4XY 0.00002 -0.00002 0.00000 0.00000 0.00000 176 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00001 0.00002 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00043 179 2S 0.00000 0.00000 0.00025 -0.00376 -0.00566 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00009 0.00013 182 20 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 183 2S 0.00001 0.00014 0.00000 0.00009 0.00013 184 21 H 1S 0.00156 0.00134 0.00000 -0.00015 -0.00040 185 2S 0.00023 0.00028 0.00025 -0.00356 -0.00611 186 22 O 1S 0.00000 0.00000 0.00000 -0.00026 -0.00001 187 2S 0.00000 0.00000 -0.00015 0.00379 0.00021 188 2PX 0.00000 0.00001 -0.00002 0.00032 0.01235 189 2PY 0.00000 0.00001 -0.00178 0.04272 0.00169 190 2PZ 0.00000 0.00000 -0.00001 0.00021 -0.00024 191 3S 0.00000 -0.00001 -0.00082 -0.01267 -0.00005 192 3PX 0.00000 0.00010 -0.00006 0.00042 0.02139 193 3PY -0.00004 0.00013 -0.00832 0.06356 0.00139 194 3PZ 0.00000 -0.00001 -0.00004 0.00030 -0.00027 195 4XX 0.00000 0.00000 0.00001 -0.00068 0.00002 196 4YY 0.00000 0.00000 -0.00082 0.00785 0.00032 197 4ZZ 0.00000 0.00000 0.00001 -0.00066 -0.00001 198 4XY 0.00000 0.00000 -0.00002 0.00010 0.00381 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 200 4YZ 0.00000 0.00000 -0.00001 0.00006 -0.00002 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 2PY 0.42606 167 2PZ 0.00000 0.32857 168 3S 0.00000 0.00000 0.22567 169 3PX 0.00000 0.00000 0.00000 0.04066 170 3PY -0.00339 0.00000 0.00000 0.00000 0.03597 171 3PZ 0.00000 0.07015 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 -0.00375 0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00438 0.00000 0.00000 174 4ZZ 0.00000 0.00000 -0.00507 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00002 -0.00020 -0.00293 -0.00144 -0.00055 179 2S 0.00009 -0.00302 -0.00994 -0.00332 -0.00101 180 19 H 1S 0.00000 0.00000 0.00008 0.00007 0.00000 181 2S 0.00012 0.00005 0.00107 0.00067 -0.00001 182 20 H 1S 0.00000 0.00000 0.00009 0.00006 0.00003 183 2S 0.00016 0.00008 0.00128 0.00064 0.00037 184 21 H 1S -0.00002 -0.00023 -0.00262 -0.00034 -0.00053 185 2S 0.00010 -0.00341 -0.01062 -0.00070 -0.00115 186 22 O 1S -0.00198 -0.00001 0.00154 0.00000 0.00027 187 2S 0.02886 0.00018 -0.02282 -0.00005 -0.01433 188 2PX 0.00175 -0.00024 0.00041 0.01758 -0.00030 189 2PY 0.10300 0.00136 0.02216 0.00008 -0.00467 190 2PZ 0.00131 0.01971 0.00015 -0.00007 -0.00011 191 3S 0.00881 -0.00016 -0.07513 -0.00022 -0.02238 192 3PX 0.00150 -0.00027 0.00089 0.03941 -0.00053 193 3PY 0.05542 0.00115 0.04105 0.00013 -0.00172 194 3PZ 0.00119 0.03788 0.00029 -0.00010 -0.00020 195 4XX -0.00094 0.00000 -0.00045 -0.00002 0.00121 196 4YY 0.00968 0.00026 0.00588 0.00006 -0.00155 197 4ZZ -0.00086 0.00001 -0.00056 0.00000 0.00106 198 4XY 0.00028 -0.00002 0.00004 0.00121 -0.00001 199 4XZ 0.00001 0.00004 0.00000 0.00001 0.00000 200 4YZ 0.00019 0.00454 0.00002 -0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 207 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 208 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00014 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 3PZ 0.06508 172 4XX 0.00000 0.00216 173 4YY 0.00000 -0.00040 0.00226 174 4ZZ 0.00000 0.00032 -0.00023 0.00175 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00399 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00034 0.00003 -0.00001 0.00004 -0.00001 179 2S 0.00008 0.00022 -0.00019 0.00057 -0.00006 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00023 0.00000 -0.00001 0.00000 0.00001 182 20 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 183 2S 0.00038 0.00000 -0.00001 0.00000 0.00001 184 21 H 1S -0.00078 0.00005 -0.00001 0.00002 0.00000 185 2S -0.00206 0.00055 -0.00022 0.00025 -0.00005 186 22 O 1S 0.00000 0.00001 -0.00074 0.00000 -0.00002 187 2S 0.00001 -0.00067 0.00815 -0.00056 0.00017 188 2PX -0.00007 0.00010 0.00029 0.00000 0.00738 189 2PY 0.00021 -0.00145 0.00257 -0.00134 0.00036 190 2PZ 0.02349 -0.00001 0.00015 0.00004 0.00006 191 3S -0.00022 -0.00255 0.01163 -0.00197 0.00007 192 3PX -0.00010 -0.00008 0.00025 0.00004 0.00801 193 3PY 0.00029 -0.00439 0.00160 -0.00407 0.00009 194 3PZ 0.05178 -0.00002 0.00013 -0.00003 0.00003 195 4XX 0.00000 0.00007 -0.00013 0.00002 0.00001 196 4YY 0.00008 -0.00024 -0.00002 -0.00025 0.00004 197 4ZZ -0.00002 0.00002 -0.00010 0.00006 0.00000 198 4XY -0.00001 0.00001 0.00003 0.00000 0.00061 199 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00169 0.00000 0.00001 0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 4XZ 0.00058 177 4YZ 0.00000 0.00308 178 18 H 1S 0.00006 0.00000 0.21485 179 2S 0.00020 -0.00003 0.10204 0.13494 180 19 H 1S 0.00000 0.00000 -0.00001 -0.00088 0.21485 181 2S 0.00000 0.00000 -0.00088 -0.00453 0.10204 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00002 0.00000 184 21 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 185 2S 0.00011 -0.00003 0.00000 -0.00015 0.00000 186 22 O 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00009 0.00000 0.00014 0.00000 188 2PX 0.00003 0.00006 0.00000 0.00049 0.00000 189 2PY 0.00002 0.00015 0.00000 -0.00057 0.00000 190 2PZ 0.00004 0.00633 0.00000 0.00028 0.00000 191 3S 0.00001 0.00004 -0.00017 0.00034 0.00000 192 3PX 0.00003 0.00003 -0.00001 0.00308 0.00000 193 3PY 0.00001 0.00003 -0.00023 -0.00276 0.00000 194 3PZ 0.00004 0.00667 -0.00025 0.00159 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00004 0.00000 196 4YY 0.00000 0.00002 0.00000 -0.00010 0.00000 197 4ZZ 0.00000 0.00001 0.00000 0.00004 0.00000 198 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 199 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 200 4YZ 0.00001 0.00064 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00001 -0.00017 207 3PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 208 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00023 209 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00025 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 2S 0.13494 182 20 H 1S 0.00000 0.21460 183 2S -0.00015 0.10248 0.13803 184 21 H 1S 0.00000 -0.00001 -0.00088 0.21460 185 2S 0.00002 -0.00088 -0.00490 0.10248 0.13803 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 187 2S 0.00000 0.00000 0.00000 0.00000 0.00015 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00058 189 2PY 0.00000 0.00000 0.00000 0.00000 -0.00062 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00021 191 3S -0.00001 0.00000 -0.00001 -0.00019 0.00035 192 3PX -0.00002 0.00000 -0.00002 -0.00012 0.00337 193 3PY -0.00002 0.00000 -0.00003 -0.00022 -0.00281 194 3PZ 0.00000 0.00000 -0.00001 -0.00015 0.00141 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00006 196 4YY 0.00000 0.00000 0.00000 0.00000 -0.00011 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 200 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 201 23 O 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 202 2S 0.00014 0.00000 0.00015 0.00000 0.00000 203 2PX 0.00049 0.00000 0.00058 0.00000 0.00000 204 2PY -0.00057 0.00000 -0.00062 0.00000 0.00000 205 2PZ 0.00028 0.00000 0.00021 0.00000 0.00000 206 3S 0.00034 -0.00019 0.00035 0.00000 -0.00001 207 3PX 0.00308 -0.00012 0.00337 0.00000 -0.00002 208 3PY -0.00276 -0.00022 -0.00281 0.00000 -0.00003 209 3PZ 0.00159 -0.00015 0.00141 0.00000 -0.00001 210 4XX 0.00004 0.00000 0.00006 0.00000 0.00000 211 4YY -0.00010 0.00000 -0.00011 0.00000 0.00000 212 4ZZ 0.00004 0.00000 0.00004 0.00000 0.00000 213 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 186 187 188 189 190 186 22 O 1S 2.07880 187 2S -0.04267 0.50275 188 2PX 0.00000 0.00000 0.74001 189 2PY 0.00000 0.00000 0.00000 0.60252 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.64453 191 3S -0.04121 0.45937 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.25586 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.16356 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.21808 195 4XX -0.00040 -0.00581 0.00000 0.00000 0.00000 196 4YY -0.00035 -0.00610 0.00000 0.00000 0.00000 197 4ZZ -0.00043 -0.00475 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 195 191 3S 0.77265 192 3PX 0.00000 0.35396 193 3PY 0.00000 0.00000 0.17852 194 3PZ 0.00000 0.00000 0.00000 0.29554 195 4XX -0.00800 0.00000 0.00000 0.00000 0.00052 196 4YY -0.01682 0.00000 0.00000 0.00000 -0.00005 197 4ZZ -0.00628 0.00000 0.00000 0.00000 0.00014 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00006 0.00042 198 4XY 0.00000 0.00000 0.00185 199 4XZ 0.00000 0.00000 0.00000 0.00006 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00195 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 202 203 204 205 201 23 O 1S 2.07880 202 2S -0.04267 0.50275 203 2PX 0.00000 0.00000 0.74001 204 2PY 0.00000 0.00000 0.00000 0.60252 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.64453 206 3S -0.04121 0.45937 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.25586 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.16356 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.21808 210 4XX -0.00040 -0.00581 0.00000 0.00000 0.00000 211 4YY -0.00035 -0.00610 0.00000 0.00000 0.00000 212 4ZZ -0.00043 -0.00475 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 207 208 209 210 206 3S 0.77265 207 3PX 0.00000 0.35396 208 3PY 0.00000 0.00000 0.17852 209 3PZ 0.00000 0.00000 0.00000 0.29554 210 4XX -0.00800 0.00000 0.00000 0.00000 0.00052 211 4YY -0.01682 0.00000 0.00000 0.00000 -0.00005 212 4ZZ -0.00628 0.00000 0.00000 0.00000 0.00014 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00006 0.00042 213 4XY 0.00000 0.00000 0.00185 214 4XZ 0.00000 0.00000 0.00000 0.00006 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00195 Gross orbital populations: 1 1 1 C 1S 1.99268 2 2S 0.71016 3 2PX 0.63477 4 2PY 0.74987 5 2PZ 0.62105 6 3S 0.61800 7 3PX 0.30488 8 3PY 0.23010 9 3PZ 0.27443 10 4XX -0.01240 11 4YY 0.01450 12 4ZZ -0.01225 13 4XY 0.00565 14 4XZ 0.00618 15 4YZ 0.00832 16 2 C 1S 1.99202 17 2S 0.71244 18 2PX 0.66171 19 2PY 0.75218 20 2PZ 0.65503 21 3S 0.51497 22 3PX 0.26482 23 3PY 0.20136 24 3PZ 0.32593 25 4XX -0.00670 26 4YY 0.00277 27 4ZZ -0.01066 28 4XY 0.00965 29 4XZ 0.00627 30 4YZ 0.00894 31 3 C 1S 1.99202 32 2S 0.71244 33 2PX 0.66171 34 2PY 0.75218 35 2PZ 0.65503 36 3S 0.51497 37 3PX 0.26482 38 3PY 0.20136 39 3PZ 0.32593 40 4XX -0.00670 41 4YY 0.00277 42 4ZZ -0.01066 43 4XY 0.00965 44 4XZ 0.00627 45 4YZ 0.00894 46 4 C 1S 1.99268 47 2S 0.71016 48 2PX 0.63477 49 2PY 0.74987 50 2PZ 0.62105 51 3S 0.61800 52 3PX 0.30488 53 3PY 0.23010 54 3PZ 0.27443 55 4XX -0.01240 56 4YY 0.01450 57 4ZZ -0.01225 58 4XY 0.00565 59 4XZ 0.00618 60 4YZ 0.00832 61 5 H 1S 0.52646 62 2S 0.30580 63 6 H 1S 0.52923 64 2S 0.32574 65 7 H 1S 0.52923 66 2S 0.32574 67 8 H 1S 0.52646 68 2S 0.30580 69 9 C 1S 1.99220 70 2S 0.68619 71 2PX 0.73581 72 2PY 0.67645 73 2PZ 0.71075 74 3S 0.59784 75 3PX 0.35505 76 3PY 0.25504 77 3PZ 0.27521 78 4XX 0.00817 79 4YY -0.00785 80 4ZZ 0.00045 81 4XY 0.00609 82 4XZ 0.01175 83 4YZ 0.01008 84 10 H 1S 0.52766 85 2S 0.30732 86 11 H 1S 0.51601 87 2S 0.30094 88 12 C 1S 1.99267 89 2S 0.69751 90 2PX 0.63961 91 2PY 0.75035 92 2PZ 0.66106 93 3S 0.61614 94 3PX 0.31609 95 3PY 0.19006 96 3PZ 0.35146 97 4XX -0.01128 98 4YY 0.00194 99 4ZZ -0.00625 100 4XY 0.00870 101 4XZ 0.00525 102 4YZ 0.00960 103 13 C 1S 1.99267 104 2S 0.69751 105 2PX 0.63961 106 2PY 0.75035 107 2PZ 0.66106 108 3S 0.61614 109 3PX 0.31609 110 3PY 0.19006 111 3PZ 0.35146 112 4XX -0.01128 113 4YY 0.00194 114 4ZZ -0.00625 115 4XY 0.00870 116 4XZ 0.00525 117 4YZ 0.00960 118 14 C 1S 1.99233 119 2S 0.72860 120 2PX 0.66085 121 2PY 0.73743 122 2PZ 0.57480 123 3S 0.38514 124 3PX 0.15524 125 3PY 0.02520 126 3PZ 0.23247 127 4XX -0.01075 128 4YY 0.01156 129 4ZZ -0.01910 130 4XY 0.03260 131 4XZ 0.00524 132 4YZ 0.02440 133 15 C 1S 1.99202 134 2S 0.71540 135 2PX 0.66494 136 2PY 0.78493 137 2PZ 0.60995 138 3S 0.57185 139 3PX 0.29891 140 3PY 0.17655 141 3PZ 0.34600 142 4XX -0.00554 143 4YY 0.00401 144 4ZZ -0.01446 145 4XY 0.01135 146 4XZ 0.00470 147 4YZ 0.00880 148 16 C 1S 1.99202 149 2S 0.71540 150 2PX 0.66494 151 2PY 0.78493 152 2PZ 0.60995 153 3S 0.57185 154 3PX 0.29891 155 3PY 0.17655 156 3PZ 0.34600 157 4XX -0.00554 158 4YY 0.00401 159 4ZZ -0.01446 160 4XY 0.01135 161 4XZ 0.00470 162 4YZ 0.00880 163 17 C 1S 1.99233 164 2S 0.72860 165 2PX 0.66085 166 2PY 0.73744 167 2PZ 0.57480 168 3S 0.38514 169 3PX 0.15524 170 3PY 0.02520 171 3PZ 0.23247 172 4XX -0.01075 173 4YY 0.01156 174 4ZZ -0.01910 175 4XY 0.03260 176 4XZ 0.00524 177 4YZ 0.02440 178 18 H 1S 0.52858 179 2S 0.30807 180 19 H 1S 0.52858 181 2S 0.30807 182 20 H 1S 0.52716 183 2S 0.31105 184 21 H 1S 0.52716 185 2S 0.31105 186 22 O 1S 1.99244 187 2S 0.90618 188 2PX 1.03001 189 2PY 0.91902 190 2PZ 0.90991 191 3S 1.06530 192 3PX 0.64636 193 3PY 0.44311 194 3PZ 0.58712 195 4XX -0.01416 196 4YY -0.00029 197 4ZZ -0.01180 198 4XY 0.00789 199 4XZ 0.00024 200 4YZ 0.00904 201 23 O 1S 1.99244 202 2S 0.90618 203 2PX 1.03001 204 2PY 0.91902 205 2PZ 0.90991 206 3S 1.06530 207 3PX 0.64636 208 3PY 0.44311 209 3PZ 0.58712 210 4XX -0.01416 211 4YY -0.00029 212 4ZZ -0.01180 213 4XY 0.00789 214 4XZ 0.00024 215 4YZ 0.00904 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.067119 0.520123 -0.050010 -0.073435 0.363843 -0.049467 2 C 0.520123 4.897214 0.533642 -0.050010 -0.038370 0.369829 3 C -0.050010 0.533642 4.897215 0.520123 0.006748 -0.047481 4 C -0.073435 -0.050010 0.520123 5.067121 0.005234 0.006183 5 H 0.363843 -0.038370 0.006748 0.005234 0.550631 -0.003472 6 H -0.049467 0.369829 -0.047481 0.006183 -0.003472 0.576060 7 H 0.006183 -0.047481 0.369829 -0.049467 -0.000106 -0.003230 8 H 0.005234 0.006748 -0.038370 0.363843 -0.000127 -0.000106 9 C 0.366938 -0.070151 -0.070151 0.366938 -0.040171 0.006413 10 H -0.033227 0.005172 0.005172 -0.033227 -0.001116 -0.000116 11 H -0.029553 -0.001910 -0.001910 -0.029553 -0.000433 -0.000173 12 C -0.031489 -0.024389 -0.007264 0.100203 0.001405 -0.000167 13 C 0.100203 -0.007264 -0.024389 -0.031489 -0.018323 -0.000247 14 C -0.002308 0.000363 0.000426 0.000200 0.000712 -0.000049 15 C -0.000192 0.000027 -0.000022 -0.000596 0.000270 0.000002 16 C -0.000596 -0.000022 0.000027 -0.000193 -0.000072 0.000000 17 C 0.000200 0.000426 0.000363 -0.002308 0.000022 0.000006 18 H 0.000950 -0.000266 -0.003049 -0.010125 -0.000059 -0.000030 19 H -0.010125 -0.003049 -0.000266 0.000950 0.000400 0.001006 20 H -0.000003 0.000000 0.000001 0.000003 -0.000011 0.000000 21 H 0.000003 0.000001 0.000000 -0.000003 0.000001 0.000000 22 O 0.000015 -0.000001 0.000081 -0.004465 0.000000 0.000000 23 O -0.004465 0.000081 -0.000001 0.000015 0.005247 0.000001 7 8 9 10 11 12 1 C 0.006183 0.005234 0.366938 -0.033227 -0.029553 -0.031489 2 C -0.047481 0.006748 -0.070151 0.005172 -0.001910 -0.024389 3 C 0.369829 -0.038370 -0.070151 0.005172 -0.001910 -0.007264 4 C -0.049467 0.363843 0.366938 -0.033227 -0.029553 0.100203 5 H -0.000106 -0.000127 -0.040171 -0.001116 -0.000433 0.001405 6 H -0.003230 -0.000106 0.006413 -0.000116 -0.000173 -0.000167 7 H 0.576060 -0.003472 0.006413 -0.000116 -0.000173 -0.000247 8 H -0.003472 0.550630 -0.040171 -0.001116 -0.000433 -0.018323 9 C 0.006413 -0.040171 5.114964 0.361443 0.350665 -0.012468 10 H -0.000116 -0.001116 0.361443 0.554289 -0.029100 -0.004804 11 H -0.000173 -0.000433 0.350665 -0.029100 0.552826 0.003331 12 C -0.000247 -0.018323 -0.012468 -0.004804 0.003331 5.421756 13 C -0.000167 0.001405 -0.012468 -0.004804 0.003331 0.303542 14 C 0.000006 0.000022 -0.005192 -0.000044 0.000066 -0.006522 15 C 0.000000 -0.000072 -0.003434 0.008237 -0.000002 -0.001136 16 C 0.000002 0.000270 -0.003433 0.008237 -0.000002 -0.109487 17 C -0.000049 0.000712 -0.005192 -0.000044 0.000066 0.350935 18 H 0.001006 0.000400 0.001301 0.000173 -0.000033 0.351080 19 H -0.000030 -0.000059 0.001301 0.000173 -0.000033 -0.030754 20 H 0.000000 0.000001 0.000007 0.000023 -0.000001 -0.000714 21 H 0.000000 -0.000011 0.000007 0.000023 -0.000001 0.006805 22 O 0.000001 0.005248 -0.000165 -0.000123 -0.000012 -0.073560 23 O 0.000000 0.000000 -0.000165 -0.000123 -0.000012 0.005181 13 14 15 16 17 18 1 C 0.100203 -0.002308 -0.000192 -0.000596 0.000200 0.000950 2 C -0.007264 0.000363 0.000027 -0.000022 0.000426 -0.000266 3 C -0.024389 0.000426 -0.000022 0.000027 0.000363 -0.003049 4 C -0.031489 0.000200 -0.000596 -0.000193 -0.002308 -0.010125 5 H -0.018323 0.000712 0.000270 -0.000072 0.000022 -0.000059 6 H -0.000247 -0.000049 0.000002 0.000000 0.000006 -0.000030 7 H -0.000167 0.000006 0.000000 0.000002 -0.000049 0.001006 8 H 0.001405 0.000022 -0.000072 0.000270 0.000712 0.000400 9 C -0.012468 -0.005192 -0.003434 -0.003433 -0.005192 0.001301 10 H -0.004804 -0.000044 0.008237 0.008237 -0.000044 0.000173 11 H 0.003331 0.000066 -0.000002 -0.000002 0.000066 -0.000033 12 C 0.303542 -0.006522 -0.001136 -0.109487 0.350935 0.351080 13 C 5.421753 0.350937 -0.109488 -0.001136 -0.006523 -0.030754 14 C 0.350937 4.407489 0.372384 -0.015875 -0.018526 0.002515 15 C -0.109488 0.372384 5.250430 0.415612 -0.015875 -0.000556 16 C -0.001136 -0.015875 0.415612 5.250429 0.372384 0.006352 17 C -0.006523 -0.018526 -0.015875 0.372384 4.407490 -0.031534 18 H -0.030754 0.002515 -0.000556 0.006352 -0.031534 0.553881 19 H 0.351080 -0.031534 0.006352 -0.000556 0.002515 -0.006311 20 H 0.006805 -0.031637 0.342214 -0.034470 0.003337 0.000016 21 H -0.000714 0.003337 -0.034470 0.342214 -0.031637 -0.000153 22 O 0.005181 -0.000067 0.005980 -0.066247 0.509307 0.001894 23 O -0.073559 0.509307 -0.066248 0.005980 -0.000067 -0.000054 19 20 21 22 23 1 C -0.010125 -0.000003 0.000003 0.000015 -0.004465 2 C -0.003049 0.000000 0.000001 -0.000001 0.000081 3 C -0.000266 0.000001 0.000000 0.000081 -0.000001 4 C 0.000950 0.000003 -0.000003 -0.004465 0.000015 5 H 0.000400 -0.000011 0.000001 0.000000 0.005247 6 H 0.001006 0.000000 0.000000 0.000000 0.000001 7 H -0.000030 0.000000 0.000000 0.000001 0.000000 8 H -0.000059 0.000001 -0.000011 0.005248 0.000000 9 C 0.001301 0.000007 0.000007 -0.000165 -0.000165 10 H 0.000173 0.000023 0.000023 -0.000123 -0.000123 11 H -0.000033 -0.000001 -0.000001 -0.000012 -0.000012 12 C -0.030754 -0.000714 0.006805 -0.073560 0.005181 13 C 0.351080 0.006805 -0.000714 0.005181 -0.073559 14 C -0.031534 -0.031637 0.003337 -0.000067 0.509307 15 C 0.006352 0.342214 -0.034470 0.005980 -0.066248 16 C -0.000556 -0.034470 0.342214 -0.066247 0.005980 17 C 0.002515 0.003337 -0.031637 0.509307 -0.000067 18 H -0.006311 0.000016 -0.000153 0.001894 -0.000054 19 H 0.553881 -0.000153 0.000016 -0.000054 0.001894 20 H -0.000153 0.557602 -0.006676 -0.000069 0.001936 21 H 0.000016 -0.006676 0.557602 0.001936 -0.000069 22 O -0.000054 -0.000069 0.001936 8.105481 0.000000 23 O 0.001894 0.001936 -0.000069 0.000000 8.105481 Mulliken charges: 1 1 C -0.145940 2 C -0.090713 3 C -0.090713 4 C -0.145941 5 H 0.167748 6 H 0.145039 7 H 0.145039 8 H 0.167748 9 C -0.313228 10 H 0.165019 11 H 0.183052 12 C -0.222915 13 C -0.222914 14 C 0.463990 15 C -0.169415 16 C -0.169415 17 C 0.463990 18 H 0.163355 19 H 0.163355 20 H 0.161790 21 H 0.161790 22 O -0.490361 23 O -0.490361 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021808 2 C 0.054326 3 C 0.054326 4 C 0.021808 9 C 0.034843 12 C -0.059560 13 C -0.059559 14 C 0.463990 15 C -0.007625 16 C -0.007625 17 C 0.463990 22 O -0.490361 23 O -0.490361 APT charges: 1 1 C -0.648267 2 C -0.404707 3 C -0.404708 4 C -0.648265 5 H 0.473751 6 H 0.652957 7 H 0.652956 8 H 0.473749 9 C -0.848772 10 H 0.253511 11 H 0.588273 12 C -0.523569 13 C -0.523569 14 C -0.432531 15 C -0.520024 16 C -0.520023 17 C -0.432529 18 H 0.493815 19 H 0.493815 20 H 0.658903 21 H 0.658903 22 O 0.253165 23 O 0.253167 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.174516 2 C 0.248250 3 C 0.248248 4 C -0.174515 9 C -0.006989 12 C -0.029754 13 C -0.029755 14 C -0.432531 15 C 0.138879 16 C 0.138879 17 C -0.432529 22 O 0.253165 23 O 0.253167 Electronic spatial extent (au): = 1993.8834 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 2.5107 Y= 0.0000 Z= 1.1649 Tot= 2.7678 Quadrupole moment (field-independent basis, Debye-Ang): XX= -68.9508 YY= -90.6806 ZZ= -70.3688 XY= -0.0001 XZ= -4.5498 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 7.7159 YY= -14.0138 ZZ= 6.2979 XY= -0.0001 XZ= -4.5498 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -11.2792 YYY= -0.0002 ZZZ= -1.8591 XYY= 30.8286 XXY= 0.0003 XXZ= 0.1910 XZZ= -0.3448 YZZ= 0.0000 YYZ= 8.5111 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1303.3015 YYYY= -1092.3228 ZZZZ= -303.9683 XXXY= -0.0005 XXXZ= -54.6643 YYYX= -0.0008 YYYZ= 0.0000 ZZZX= 2.3987 ZZZY= 0.0000 XXYY= -393.5395 XXZZ= -261.9373 YYZZ= -198.7467 XXYZ= 0.0000 YYXZ= -16.8238 ZZXY= 0.0001 N-N= 7.675011894626D+02 E-N=-2.873719200582D+03 KE= 5.702133599721D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.137345 29.025507 2 O -19.137343 29.027137 3 O -10.278265 15.887670 4 O -10.278256 15.885531 5 O -10.223330 15.889081 6 O -10.223318 15.885950 7 O -10.217009 15.873226 8 O -10.216191 15.886674 9 O -10.208974 15.884107 10 O -10.207982 15.880656 11 O -10.207487 15.891915 12 O -10.206573 15.876058 13 O -10.206033 15.886358 14 O -1.035184 2.601316 15 O -1.033149 2.647634 16 O -0.887255 1.405112 17 O -0.835756 1.605848 18 O -0.768650 1.597241 19 O -0.727940 1.499267 20 O -0.724869 1.554665 21 O -0.687818 1.854462 22 O -0.623589 1.423491 23 O -0.587541 1.453496 24 O -0.574087 1.441323 25 O -0.548062 1.327110 26 O -0.535743 0.979489 27 O -0.491684 1.478207 28 O -0.486295 1.487523 29 O -0.473971 1.137954 30 O -0.469225 1.615785 31 O -0.441793 1.216129 32 O -0.419130 2.109736 33 O -0.409269 1.376846 34 O -0.405320 1.371243 35 O -0.399475 1.748685 36 O -0.394841 1.477324 37 O -0.389560 1.497308 38 O -0.388672 1.571487 39 O -0.381031 1.517725 40 O -0.372703 1.398657 41 O -0.334446 1.092065 42 O -0.287413 1.551053 43 O -0.255985 1.740923 44 O -0.255767 2.381585 45 O -0.250084 1.350999 46 O -0.243504 1.815121 47 V -0.099900 1.794267 48 V -0.036825 1.469414 49 V -0.012993 1.442204 50 V 0.035312 1.907628 51 V 0.067509 1.580799 52 V 0.095223 0.963379 53 V 0.104858 0.998418 54 V 0.128234 1.011413 55 V 0.132381 1.017285 56 V 0.135365 1.663267 57 V 0.151712 1.115874 58 V 0.155902 1.254863 59 V 0.159622 1.248926 60 V 0.170055 1.057811 61 V 0.170791 1.246494 62 V 0.187440 1.899207 63 V 0.192155 1.432264 64 V 0.210974 1.414037 65 V 0.220119 1.581655 66 V 0.253512 1.672585 67 V 0.282480 1.408784 68 V 0.294611 1.808576 69 V 0.299804 1.832734 70 V 0.322636 1.552292 71 V 0.342745 2.134153 72 V 0.363890 1.969334 73 V 0.398552 2.420080 74 V 0.458336 2.345147 75 V 0.466964 1.680414 76 V 0.479566 2.194589 77 V 0.496064 1.896233 78 V 0.519998 2.107543 79 V 0.521273 1.893587 80 V 0.530364 2.093337 81 V 0.536410 1.931700 82 V 0.554660 1.975946 83 V 0.572752 2.173958 84 V 0.578291 2.558645 85 V 0.586704 1.997825 86 V 0.592852 2.126489 87 V 0.610794 2.307586 88 V 0.624698 2.211971 89 V 0.638988 2.296342 90 V 0.652152 2.831857 91 V 0.654998 2.967038 92 V 0.676413 2.511238 93 V 0.679427 2.622622 94 V 0.685104 2.516794 95 V 0.721880 2.428406 96 V 0.739583 2.365782 97 V 0.739805 2.382248 98 V 0.788664 2.931851 99 V 0.797019 2.483852 100 V 0.803452 2.448093 101 V 0.819800 2.613929 102 V 0.824803 2.454377 103 V 0.824893 2.588453 104 V 0.827160 2.776486 105 V 0.834292 2.882076 106 V 0.847996 2.727527 107 V 0.861103 2.534067 108 V 0.881856 2.561891 109 V 0.883978 2.591277 110 V 0.893402 2.607377 111 V 0.910016 2.481052 112 V 0.913870 2.471910 113 V 0.931836 2.568391 114 V 0.948438 2.494635 115 V 0.985706 2.570632 116 V 1.014999 2.353351 117 V 1.025558 2.601098 118 V 1.037874 2.574168 119 V 1.046491 3.228516 120 V 1.058930 2.915253 121 V 1.061358 2.931929 122 V 1.094915 2.505430 123 V 1.115920 3.077570 124 V 1.149297 2.333213 125 V 1.169238 2.297672 126 V 1.209425 2.314051 127 V 1.222010 2.498691 128 V 1.224161 2.391060 129 V 1.230767 2.510115 130 V 1.272853 2.492525 131 V 1.321124 2.705211 132 V 1.325618 2.501643 133 V 1.391834 2.656540 134 V 1.402261 2.563712 135 V 1.409362 2.586607 136 V 1.434769 2.639481 137 V 1.446577 2.641634 138 V 1.461066 2.680103 139 V 1.470676 2.795425 140 V 1.514186 2.726476 141 V 1.522606 2.696345 142 V 1.583820 2.880016 143 V 1.637843 2.893610 144 V 1.644697 2.885353 145 V 1.662482 2.914697 146 V 1.702079 3.201229 147 V 1.770049 2.853067 148 V 1.772056 3.004923 149 V 1.797978 3.077025 150 V 1.827337 3.074139 151 V 1.838564 3.120993 152 V 1.846053 3.179141 153 V 1.876098 3.222092 154 V 1.891397 3.158268 155 V 1.895696 3.456141 156 V 1.897912 3.347350 157 V 1.909431 3.058983 158 V 1.931265 3.222817 159 V 1.956974 3.344070 160 V 1.983255 3.381735 161 V 1.989647 3.805479 162 V 2.033495 3.419553 163 V 2.050742 3.426205 164 V 2.060644 3.638088 165 V 2.070079 3.367266 166 V 2.074422 3.493857 167 V 2.090484 3.487304 168 V 2.114826 3.561628 169 V 2.130148 3.542330 170 V 2.179979 3.670628 171 V 2.188492 3.548196 172 V 2.227190 3.576413 173 V 2.256159 3.601174 174 V 2.256533 3.608686 175 V 2.283201 3.583849 176 V 2.306525 3.768115 177 V 2.324345 3.768608 178 V 2.375467 3.723741 179 V 2.375885 3.778663 180 V 2.403827 3.753237 181 V 2.451566 4.029627 182 V 2.452850 3.831920 183 V 2.524109 4.157464 184 V 2.573125 4.037962 185 V 2.583270 3.993924 186 V 2.593823 3.881859 187 V 2.614058 4.262417 188 V 2.623760 4.571969 189 V 2.638395 4.092556 190 V 2.661811 4.436317 191 V 2.664524 4.202749 192 V 2.690046 4.196217 193 V 2.712905 4.525684 194 V 2.763475 4.506655 195 V 2.843907 4.551296 196 V 2.920971 4.773255 197 V 2.950860 4.473545 198 V 2.964448 4.606649 199 V 2.975268 5.025646 200 V 3.023893 5.012880 201 V 3.183233 4.869202 202 V 3.251688 5.165136 203 V 4.030951 10.142397 204 V 4.037752 10.534651 205 V 4.103158 10.245477 206 V 4.167930 10.228656 207 V 4.220674 10.334479 208 V 4.318736 10.335122 209 V 4.359324 10.541669 210 V 4.363583 10.876739 211 V 4.461126 10.564076 212 V 4.520920 10.462157 213 V 4.637475 10.767429 214 V 4.641690 11.162905 215 V 4.909973 11.636572 Total kinetic energy from orbitals= 5.702133599721D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 235.932 0.001 305.296 -1.198 0.000 133.737 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 -0.000006067 0.000002584 0.000001216 2 6 -0.000010489 0.000007601 -0.000004256 3 6 -0.000009944 -0.000007809 -0.000004551 4 6 -0.000006525 -0.000002689 0.000001490 5 1 0.000003315 0.000000406 -0.000002189 6 1 0.000000467 -0.000000097 -0.000001413 7 1 0.000000503 0.000000122 -0.000001416 8 1 0.000003382 -0.000000308 -0.000002146 9 6 0.000003524 0.000000104 0.000002763 10 1 0.000001487 -0.000000012 0.000001051 11 1 0.000000287 -0.000000050 -0.000001167 12 6 0.000009994 0.000009176 0.000002204 13 6 0.000009791 -0.000008373 0.000003060 14 6 -0.000001325 -0.000001433 0.000000020 15 6 -0.000000129 0.000001516 -0.000000485 16 6 0.000000344 -0.000001726 -0.000000923 17 6 -0.000001368 0.000001233 0.000000001 18 1 0.000002656 -0.000000592 0.000002073 19 1 0.000003124 -0.000000035 0.000001311 20 1 -0.000000206 0.000000649 0.000000214 21 1 -0.000000509 -0.000000450 0.000000480 22 8 -0.000001224 -0.000001608 0.000001323 23 8 -0.000001088 0.000001790 0.000001341 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010489 RMS 0.000003690 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000010484 RMS 0.000002844 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 --- -0.02479 0.00308 0.00426 0.00559 0.00846 Eigenvalues --- 0.01199 0.01275 0.01421 0.01521 0.01723 Eigenvalues --- 0.01945 0.02129 0.02200 0.02641 0.02789 Eigenvalues --- 0.02945 0.03347 0.03601 0.03700 0.04164 Eigenvalues --- 0.04238 0.04670 0.04955 0.05046 0.05361 Eigenvalues --- 0.06541 0.06646 0.07104 0.08125 0.08669 Eigenvalues --- 0.10251 0.10423 0.10980 0.11822 0.14486 Eigenvalues --- 0.15472 0.15729 0.17592 0.20472 0.21770 Eigenvalues --- 0.22861 0.24839 0.26071 0.28555 0.30506 Eigenvalues --- 0.30614 0.31474 0.32593 0.33675 0.35538 Eigenvalues --- 0.36169 0.36237 0.36551 0.36620 0.36630 Eigenvalues --- 0.36807 0.36838 0.36970 0.39305 0.43810 Eigenvalues --- 0.55823 0.80947 0.81118 Eigenvectors required to have negative eigenvalues: R11 R4 D60 D58 D35 1 0.57795 0.57795 -0.14331 0.14330 0.14234 D7 D67 D73 R14 D37 1 -0.14234 0.11120 -0.11120 -0.10951 0.10492 RFO step: Lambda0=5.484132010D-09 Lambda=-1.44423175D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009802 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.65688 -0.00001 0.00000 -0.00004 -0.00004 2.65684 R2 2.04955 0.00000 0.00000 -0.00001 -0.00001 2.04955 R3 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R4 4.20679 -0.00001 0.00000 0.00017 0.00017 4.20696 R5 2.64421 -0.00001 0.00000 0.00000 0.00000 2.64421 R6 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R7 2.65688 0.00000 0.00000 -0.00004 -0.00004 2.65684 R8 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R9 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R10 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R11 4.20677 -0.00001 0.00000 0.00019 0.00019 4.20696 R12 2.05907 0.00000 0.00000 0.00000 0.00000 2.05908 R13 2.08355 0.00000 0.00000 0.00000 0.00000 2.08355 R14 2.66703 0.00001 0.00000 -0.00002 -0.00002 2.66701 R15 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R16 2.04818 0.00000 0.00000 -0.00001 -0.00001 2.04818 R17 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R18 2.04818 0.00000 0.00000 0.00000 0.00000 2.04818 R19 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R20 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R21 2.53958 0.00000 0.00000 -0.00001 -0.00001 2.53957 R22 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R23 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R24 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R25 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 A1 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A2 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A3 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A4 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A5 1.78851 0.00000 0.00000 0.00002 0.00002 1.78852 A6 1.59616 0.00001 0.00000 0.00003 0.00003 1.59618 A7 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A8 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A9 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A10 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A11 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A12 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A13 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A14 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A15 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A16 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A17 1.78851 0.00000 0.00000 0.00002 0.00002 1.78852 A18 1.59616 0.00001 0.00000 0.00002 0.00002 1.59618 A19 1.74405 0.00000 0.00000 0.00002 0.00002 1.74407 A20 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A21 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A22 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A23 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A24 1.87693 0.00000 0.00000 -0.00001 -0.00001 1.87692 A25 1.77419 0.00000 0.00000 -0.00001 -0.00001 1.77418 A26 1.72685 0.00000 0.00000 0.00002 0.00002 1.72687 A27 1.62991 0.00000 0.00000 -0.00012 -0.00012 1.62979 A28 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A29 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A30 1.98025 0.00000 0.00000 0.00003 0.00003 1.98028 A31 1.77418 0.00000 0.00000 0.00000 0.00000 1.77418 A32 1.72686 0.00000 0.00000 0.00002 0.00002 1.72687 A33 1.62991 0.00000 0.00000 -0.00012 -0.00012 1.62979 A34 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A35 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A36 1.98025 0.00000 0.00000 0.00002 0.00002 1.98028 A37 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A38 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A39 2.09772 0.00000 0.00000 0.00000 0.00000 2.09771 A40 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A41 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A42 2.13800 0.00000 0.00000 0.00000 0.00000 2.13800 A43 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A44 2.13801 0.00000 0.00000 0.00000 0.00000 2.13800 A45 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A46 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A47 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A48 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 D1 -3.03877 0.00000 0.00000 -0.00005 -0.00005 -3.03882 D2 0.23555 0.00000 0.00000 -0.00006 -0.00006 0.23549 D3 -0.33371 0.00000 0.00000 0.00009 0.00009 -0.33362 D4 2.94061 0.00000 0.00000 0.00008 0.00008 2.94069 D5 1.30467 0.00000 0.00000 0.00007 0.00007 1.30474 D6 -1.70419 0.00000 0.00000 0.00006 0.00006 -1.70414 D7 0.50259 0.00000 0.00000 -0.00014 -0.00014 0.50246 D8 2.70499 0.00000 0.00000 -0.00012 -0.00012 2.70487 D9 -1.46606 0.00000 0.00000 -0.00013 -0.00013 -1.46620 D10 -3.07029 0.00000 0.00000 -0.00002 -0.00002 -3.07031 D11 -0.86790 0.00000 0.00000 0.00000 0.00000 -0.86789 D12 1.24424 0.00000 0.00000 -0.00001 -0.00001 1.24423 D13 -1.21931 0.00001 0.00000 0.00003 0.00003 -1.21928 D14 0.98309 0.00001 0.00000 0.00005 0.00005 0.98313 D15 3.09522 0.00001 0.00000 0.00003 0.00003 3.09525 D16 -1.19968 0.00000 0.00000 -0.00004 -0.00004 -1.19972 D17 2.92044 0.00000 0.00000 -0.00005 -0.00005 2.92039 D18 0.92387 0.00000 0.00000 -0.00005 -0.00005 0.92382 D19 2.84628 0.00000 0.00000 0.00003 0.00003 2.84631 D20 0.68322 0.00000 0.00000 0.00002 0.00002 0.68324 D21 -1.31335 0.00000 0.00000 0.00002 0.00002 -1.31333 D22 0.66449 0.00000 0.00000 -0.00002 -0.00002 0.66447 D23 -1.49857 0.00000 0.00000 -0.00003 -0.00003 -1.49860 D24 2.78805 0.00000 0.00000 -0.00003 -0.00003 2.78802 D25 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D26 -3.00839 0.00000 0.00000 -0.00001 -0.00001 -3.00840 D27 3.00839 0.00000 0.00000 0.00001 0.00001 3.00840 D28 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D29 3.03877 0.00000 0.00000 0.00005 0.00005 3.03882 D30 0.33371 0.00000 0.00000 -0.00009 -0.00009 0.33362 D31 -1.30467 0.00000 0.00000 -0.00007 -0.00007 -1.30474 D32 -0.23555 0.00000 0.00000 0.00006 0.00006 -0.23549 D33 -2.94061 0.00000 0.00000 -0.00008 -0.00008 -2.94069 D34 1.70419 0.00000 0.00000 -0.00005 -0.00005 1.70414 D35 -0.50259 0.00000 0.00000 0.00014 0.00014 -0.50246 D36 -2.70499 0.00000 0.00000 0.00012 0.00012 -2.70487 D37 1.46606 0.00000 0.00000 0.00013 0.00013 1.46620 D38 3.07029 0.00000 0.00000 0.00002 0.00002 3.07031 D39 0.86790 0.00000 0.00000 0.00000 0.00000 0.86789 D40 -1.24424 0.00000 0.00000 0.00001 0.00001 -1.24423 D41 1.21931 -0.00001 0.00000 -0.00003 -0.00003 1.21928 D42 -0.98308 -0.00001 0.00000 -0.00005 -0.00005 -0.98313 D43 -3.09522 -0.00001 0.00000 -0.00004 -0.00004 -3.09525 D44 1.19968 0.00000 0.00000 0.00004 0.00004 1.19972 D45 -2.92044 0.00000 0.00000 0.00005 0.00005 -2.92039 D46 -0.92387 0.00000 0.00000 0.00005 0.00005 -0.92382 D47 -2.84628 0.00000 0.00000 -0.00003 -0.00003 -2.84631 D48 -0.68322 0.00000 0.00000 -0.00002 -0.00002 -0.68324 D49 1.31335 0.00000 0.00000 -0.00002 -0.00002 1.31333 D50 -0.66449 0.00000 0.00000 0.00002 0.00002 -0.66447 D51 1.49857 0.00000 0.00000 0.00002 0.00002 1.49860 D52 -2.78805 0.00000 0.00000 0.00003 0.00003 -2.78802 D53 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D54 1.88198 0.00000 0.00000 0.00002 0.00002 1.88200 D55 -1.76117 0.00000 0.00000 0.00014 0.00014 -1.76103 D56 -1.88198 0.00000 0.00000 -0.00002 -0.00002 -1.88200 D57 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D58 2.64003 0.00000 0.00000 0.00012 0.00012 2.64015 D59 1.76118 0.00000 0.00000 -0.00014 -0.00014 1.76103 D60 -2.64003 0.00000 0.00000 -0.00012 -0.00012 -2.64015 D61 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D62 -1.79910 0.00000 0.00000 -0.00004 -0.00004 -1.79914 D63 1.35955 0.00000 0.00000 -0.00003 -0.00003 1.35952 D64 0.10849 0.00000 0.00000 -0.00003 -0.00003 0.10846 D65 -3.01604 0.00000 0.00000 -0.00002 -0.00002 -3.01606 D66 2.77941 0.00000 0.00000 0.00008 0.00008 2.77949 D67 -0.34512 0.00000 0.00000 0.00009 0.00009 -0.34502 D68 1.79910 0.00000 0.00000 0.00004 0.00004 1.79914 D69 -1.35956 0.00000 0.00000 0.00003 0.00003 -1.35952 D70 -0.10849 0.00000 0.00000 0.00003 0.00003 -0.10846 D71 3.01604 0.00000 0.00000 0.00002 0.00002 3.01606 D72 -2.77942 0.00000 0.00000 -0.00008 -0.00008 -2.77949 D73 0.34511 0.00000 0.00000 -0.00009 -0.00009 0.34502 D74 0.11002 0.00000 0.00000 -0.00003 -0.00003 0.10999 D75 -3.06304 0.00000 0.00000 -0.00004 -0.00004 -3.06307 D76 -3.01493 0.00000 0.00000 -0.00002 -0.00002 -3.01496 D77 0.09519 0.00000 0.00000 -0.00003 -0.00003 0.09516 D78 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D79 3.10794 0.00000 0.00000 0.00000 0.00000 3.10793 D80 -3.10794 0.00000 0.00000 0.00000 0.00000 -3.10793 D81 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D82 -0.11002 0.00000 0.00000 0.00003 0.00003 -0.10999 D83 3.01494 0.00000 0.00000 0.00002 0.00002 3.01496 D84 3.06304 0.00000 0.00000 0.00004 0.00004 3.06307 D85 -0.09519 0.00000 0.00000 0.00003 0.00003 -0.09516 Item Value Threshold Converged? Maximum Force 0.000010 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000365 0.001800 YES RMS Displacement 0.000098 0.001200 YES Predicted change in Energy=-4.479092D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.406 -DE/DX = 0.0 ! ! R2 R(1,5) 1.0846 -DE/DX = 0.0 ! ! R3 R(1,9) 1.509 -DE/DX = 0.0 ! ! R4 R(1,13) 2.2261 -DE/DX = 0.0 ! ! R5 R(2,3) 1.3993 -DE/DX = 0.0 ! ! R6 R(2,6) 1.0849 -DE/DX = 0.0 ! ! R7 R(3,4) 1.406 -DE/DX = 0.0 ! ! R8 R(3,7) 1.0849 -DE/DX = 0.0 ! ! R9 R(4,8) 1.0846 -DE/DX = 0.0 ! ! R10 R(4,9) 1.509 -DE/DX = 0.0 ! ! R11 R(4,12) 2.2261 -DE/DX = 0.0 ! ! R12 R(9,10) 1.0896 -DE/DX = 0.0 ! ! R13 R(9,11) 1.1026 -DE/DX = 0.0 ! ! R14 R(12,13) 1.4113 -DE/DX = 0.0 ! ! R15 R(12,17) 1.4824 -DE/DX = 0.0 ! ! R16 R(12,18) 1.0839 -DE/DX = 0.0 ! ! R17 R(13,14) 1.4824 -DE/DX = 0.0 ! ! R18 R(13,19) 1.0839 -DE/DX = 0.0 ! ! R19 R(14,15) 1.4909 -DE/DX = 0.0 ! ! R20 R(14,23) 1.2279 -DE/DX = 0.0 ! ! R21 R(15,16) 1.3439 -DE/DX = 0.0 ! ! R22 R(15,20) 1.0872 -DE/DX = 0.0 ! ! R23 R(16,17) 1.4909 -DE/DX = 0.0 ! ! R24 R(16,21) 1.0872 -DE/DX = 0.0 ! ! R25 R(17,22) 1.2279 -DE/DX = 0.0 ! ! A1 A(2,1,5) 124.6289 -DE/DX = 0.0 ! ! A2 A(2,1,9) 106.4323 -DE/DX = 0.0 ! ! A3 A(2,1,13) 97.8837 -DE/DX = 0.0 ! ! A4 A(5,1,9) 123.6749 -DE/DX = 0.0 ! ! A5 A(5,1,13) 102.474 -DE/DX = 0.0 ! ! A6 A(9,1,13) 91.453 -DE/DX = 0.0 ! ! A7 A(1,2,3) 108.9121 -DE/DX = 0.0 ! ! A8 A(1,2,6) 125.1607 -DE/DX = 0.0 ! ! A9 A(3,2,6) 125.4473 -DE/DX = 0.0 ! ! A10 A(2,3,4) 108.9121 -DE/DX = 0.0 ! ! A11 A(2,3,7) 125.4473 -DE/DX = 0.0 ! ! A12 A(4,3,7) 125.1607 -DE/DX = 0.0 ! ! A13 A(3,4,8) 124.6289 -DE/DX = 0.0 ! ! A14 A(3,4,9) 106.4322 -DE/DX = 0.0 ! ! A15 A(3,4,12) 97.8837 -DE/DX = 0.0 ! ! A16 A(8,4,9) 123.6749 -DE/DX = 0.0 ! ! A17 A(8,4,12) 102.4739 -DE/DX = 0.0 ! ! A18 A(9,4,12) 91.4532 -DE/DX = 0.0 ! ! A19 A(1,9,4) 99.9269 -DE/DX = 0.0 ! ! A20 A(1,9,10) 116.3848 -DE/DX = 0.0 ! ! A21 A(1,9,11) 108.0316 -DE/DX = 0.0 ! ! A22 A(4,9,10) 116.3848 -DE/DX = 0.0 ! ! A23 A(4,9,11) 108.0315 -DE/DX = 0.0 ! ! A24 A(10,9,11) 107.5402 -DE/DX = 0.0 ! ! A25 A(4,12,13) 101.6535 -DE/DX = 0.0 ! ! A26 A(4,12,17) 98.9413 -DE/DX = 0.0 ! ! A27 A(4,12,18) 93.3868 -DE/DX = 0.0 ! ! A28 A(13,12,17) 120.577 -DE/DX = 0.0 ! ! A29 A(13,12,18) 120.0916 -DE/DX = 0.0 ! ! A30 A(17,12,18) 113.46 -DE/DX = 0.0 ! ! A31 A(1,13,12) 101.6532 -DE/DX = 0.0 ! ! A32 A(1,13,14) 98.9415 -DE/DX = 0.0 ! ! A33 A(1,13,19) 93.3868 -DE/DX = 0.0 ! ! A34 A(12,13,14) 120.577 -DE/DX = 0.0 ! ! A35 A(12,13,19) 120.0916 -DE/DX = 0.0 ! ! A36 A(14,13,19) 113.4602 -DE/DX = 0.0 ! ! A37 A(13,14,15) 117.2212 -DE/DX = 0.0 ! ! A38 A(13,14,23) 122.5814 -DE/DX = 0.0 ! ! A39 A(15,14,23) 120.1902 -DE/DX = 0.0 ! ! A40 A(14,15,16) 121.8975 -DE/DX = 0.0 ! ! A41 A(14,15,20) 115.5781 -DE/DX = 0.0 ! ! A42 A(16,15,20) 122.4986 -DE/DX = 0.0 ! ! A43 A(15,16,17) 121.8975 -DE/DX = 0.0 ! ! A44 A(15,16,21) 122.4987 -DE/DX = 0.0 ! ! A45 A(17,16,21) 115.5781 -DE/DX = 0.0 ! ! A46 A(12,17,16) 117.2212 -DE/DX = 0.0 ! ! A47 A(12,17,22) 122.5813 -DE/DX = 0.0 ! ! A48 A(16,17,22) 120.1903 -DE/DX = 0.0 ! ! D1 D(5,1,2,3) -174.109 -DE/DX = 0.0 ! ! D2 D(5,1,2,6) 13.4959 -DE/DX = 0.0 ! ! D3 D(9,1,2,3) -19.12 -DE/DX = 0.0 ! ! D4 D(9,1,2,6) 168.4848 -DE/DX = 0.0 ! ! D5 D(13,1,2,3) 74.752 -DE/DX = 0.0 ! ! D6 D(13,1,2,6) -97.6431 -DE/DX = 0.0 ! ! D7 D(2,1,9,4) 28.7965 -DE/DX = 0.0 ! ! D8 D(2,1,9,10) 154.9843 -DE/DX = 0.0 ! ! D9 D(2,1,9,11) -83.9993 -DE/DX = 0.0 ! ! D10 D(5,1,9,4) -175.9146 -DE/DX = 0.0 ! ! D11 D(5,1,9,10) -49.7269 -DE/DX = 0.0 ! ! D12 D(5,1,9,11) 71.2896 -DE/DX = 0.0 ! ! D13 D(13,1,9,4) -69.8611 -DE/DX = 0.0 ! ! D14 D(13,1,9,10) 56.3266 -DE/DX = 0.0 ! ! D15 D(13,1,9,11) 177.3431 -DE/DX = 0.0 ! ! D16 D(2,1,13,12) -68.7366 -DE/DX = 0.0 ! ! D17 D(2,1,13,14) 167.3291 -DE/DX = 0.0 ! ! D18 D(2,1,13,19) 52.9341 -DE/DX = 0.0 ! ! D19 D(5,1,13,12) 163.0797 -DE/DX = 0.0 ! ! D20 D(5,1,13,14) 39.1455 -DE/DX = 0.0 ! ! D21 D(5,1,13,19) -75.2495 -DE/DX = 0.0 ! ! D22 D(9,1,13,12) 38.0725 -DE/DX = 0.0 ! ! D23 D(9,1,13,14) -85.8617 -DE/DX = 0.0 ! ! D24 D(9,1,13,19) 159.7433 -DE/DX = 0.0 ! ! D25 D(1,2,3,4) 0.0 -DE/DX = 0.0 ! ! D26 D(1,2,3,7) -172.368 -DE/DX = 0.0 ! ! D27 D(6,2,3,4) 172.368 -DE/DX = 0.0 ! ! D28 D(6,2,3,7) 0.0 -DE/DX = 0.0 ! ! D29 D(2,3,4,8) 174.1089 -DE/DX = 0.0 ! ! D30 D(2,3,4,9) 19.1201 -DE/DX = 0.0 ! ! D31 D(2,3,4,12) -74.7522 -DE/DX = 0.0 ! ! D32 D(7,3,4,8) -13.496 -DE/DX = 0.0 ! ! D33 D(7,3,4,9) -168.4848 -DE/DX = 0.0 ! ! D34 D(7,3,4,12) 97.6429 -DE/DX = 0.0 ! ! D35 D(3,4,9,1) -28.7965 -DE/DX = 0.0 ! ! D36 D(3,4,9,10) -154.9843 -DE/DX = 0.0 ! ! D37 D(3,4,9,11) 83.9993 -DE/DX = 0.0 ! ! D38 D(8,4,9,1) 175.9147 -DE/DX = 0.0 ! ! D39 D(8,4,9,10) 49.727 -DE/DX = 0.0 ! ! D40 D(8,4,9,11) -71.2894 -DE/DX = 0.0 ! ! D41 D(12,4,9,1) 69.8612 -DE/DX = 0.0 ! ! D42 D(12,4,9,10) -56.3265 -DE/DX = 0.0 ! ! D43 D(12,4,9,11) -177.3429 -DE/DX = 0.0 ! ! D44 D(3,4,12,13) 68.7368 -DE/DX = 0.0 ! ! D45 D(3,4,12,17) -167.329 -DE/DX = 0.0 ! ! D46 D(3,4,12,18) -52.9341 -DE/DX = 0.0 ! ! D47 D(8,4,12,13) -163.0796 -DE/DX = 0.0 ! ! D48 D(8,4,12,17) -39.1453 -DE/DX = 0.0 ! ! D49 D(8,4,12,18) 75.2495 -DE/DX = 0.0 ! ! D50 D(9,4,12,13) -38.0724 -DE/DX = 0.0 ! ! D51 D(9,4,12,17) 85.8619 -DE/DX = 0.0 ! ! D52 D(9,4,12,18) -159.7433 -DE/DX = 0.0 ! ! D53 D(4,12,13,1) 0.0 -DE/DX = 0.0 ! ! D54 D(4,12,13,14) 107.8295 -DE/DX = 0.0 ! ! D55 D(4,12,13,19) -100.9077 -DE/DX = 0.0 ! ! D56 D(17,12,13,1) -107.8296 -DE/DX = 0.0 ! ! D57 D(17,12,13,14) 0.0 -DE/DX = 0.0 ! ! D58 D(17,12,13,19) 151.2627 -DE/DX = 0.0 ! ! D59 D(18,12,13,1) 100.9079 -DE/DX = 0.0 ! ! D60 D(18,12,13,14) -151.2625 -DE/DX = 0.0 ! ! D61 D(18,12,13,19) 0.0002 -DE/DX = 0.0 ! ! D62 D(4,12,17,16) -103.081 -DE/DX = 0.0 ! ! D63 D(4,12,17,22) 77.8966 -DE/DX = 0.0 ! ! D64 D(13,12,17,16) 6.216 -DE/DX = 0.0 ! ! D65 D(13,12,17,22) -172.8064 -DE/DX = 0.0 ! ! D66 D(18,12,17,16) 159.2486 -DE/DX = 0.0 ! ! D67 D(18,12,17,22) -19.7738 -DE/DX = 0.0 ! ! D68 D(1,13,14,15) 103.0808 -DE/DX = 0.0 ! ! D69 D(1,13,14,23) -77.897 -DE/DX = 0.0 ! ! D70 D(12,13,14,15) -6.216 -DE/DX = 0.0 ! ! D71 D(12,13,14,23) 172.8062 -DE/DX = 0.0 ! ! D72 D(19,13,14,15) -159.2488 -DE/DX = 0.0 ! ! D73 D(19,13,14,23) 19.7735 -DE/DX = 0.0 ! ! D74 D(13,14,15,16) 6.3039 -DE/DX = 0.0 ! ! D75 D(13,14,15,20) -175.499 -DE/DX = 0.0 ! ! D76 D(23,14,15,16) -172.743 -DE/DX = 0.0 ! ! D77 D(23,14,15,20) 5.4541 -DE/DX = 0.0 ! ! D78 D(14,15,16,17) 0.0 -DE/DX = 0.0 ! ! D79 D(14,15,16,21) 178.0717 -DE/DX = 0.0 ! ! D80 D(20,15,16,17) -178.0718 -DE/DX = 0.0 ! ! D81 D(20,15,16,21) 0.0 -DE/DX = 0.0 ! ! D82 D(15,16,17,12) -6.3039 -DE/DX = 0.0 ! ! D83 D(15,16,17,22) 172.7431 -DE/DX = 0.0 ! ! D84 D(21,16,17,12) 175.4991 -DE/DX = 0.0 ! ! D85 D(21,16,17,22) -5.4539 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.547637 -1.155326 0.496353 2 6 0 2.611657 -0.699633 -0.301724 3 6 0 2.611657 0.699621 -0.301727 4 6 0 1.547637 1.155318 0.496347 5 1 0 1.366347 -2.194893 0.746833 6 1 0 3.242008 -1.328841 -0.921253 7 1 0 3.242008 1.328826 -0.921259 8 1 0 1.366348 2.194886 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000001 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196481 -1.459734 -0.249314 15 6 0 -2.191363 -0.671936 0.533224 16 6 0 -2.191358 0.671950 0.533224 17 6 0 -1.196469 1.459739 -0.249314 18 1 0 0.352678 1.249088 -1.734962 19 1 0 0.352670 -1.249096 -1.734959 20 1 0 -2.930741 -1.256057 1.075535 21 1 0 -2.930731 1.256077 1.075534 22 8 0 -1.304569 2.679852 -0.334850 23 8 0 -1.304594 -2.679846 -0.334851 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.405959 0.000000 3 C 2.282520 1.399254 0.000000 4 C 2.310644 2.282520 1.405959 0.000000 5 H 1.084576 2.210446 3.320916 3.364450 0.000000 6 H 2.215989 1.084925 2.212648 3.324384 2.655308 7 H 3.324384 2.212648 1.084925 2.215988 4.326341 8 H 3.364450 3.320916 2.210445 1.084576 4.389779 9 C 1.508974 2.335384 2.335384 1.508974 2.295262 10 H 2.219374 3.297496 3.297496 2.219375 2.712971 11 H 2.126654 2.770477 2.770477 2.126653 2.705044 12 C 2.866487 3.125026 2.791230 2.226127 3.656558 13 C 2.226136 2.791236 3.125027 2.866486 2.678619 14 C 2.859872 3.883609 4.378068 3.863249 2.846200 15 C 3.770298 4.875131 5.064318 4.161771 3.875865 16 C 4.161776 5.064319 4.875127 3.770290 4.574023 17 C 3.863250 4.378066 3.883600 2.859860 4.573475 18 H 3.491117 3.309784 2.731128 2.532876 4.364383 19 H 2.532882 2.731134 3.309785 3.491114 2.842774 20 H 4.516798 5.737998 6.036531 5.119185 4.410717 21 H 5.119189 6.036531 5.737992 4.516790 5.521061 22 O 4.851244 5.172895 4.388535 3.339187 5.662770 23 O 3.339204 4.388549 5.172902 4.851247 2.922182 6 7 8 9 10 6 H 0.000000 7 H 2.657667 0.000000 8 H 4.326341 2.655307 0.000000 9 C 3.381879 3.381878 2.295262 0.000000 10 H 4.313515 4.313514 2.712971 1.089615 0.000000 11 H 3.728481 3.728480 2.705042 1.102568 1.768346 12 C 3.921417 3.409786 2.678609 2.720851 2.774434 13 C 3.409794 3.921417 3.656555 2.720854 2.774435 14 C 4.490971 5.284672 4.573470 3.213261 2.810299 15 C 5.662910 5.969932 4.574014 3.517059 2.706441 16 C 5.969936 5.662903 3.875852 3.517058 2.706441 17 C 5.284672 4.490961 2.846184 3.213257 2.810297 18 H 3.956775 3.002782 2.842766 3.453998 3.711604 19 H 3.002791 3.956774 4.364378 3.453999 3.711603 20 H 6.488088 6.983669 5.521054 4.285060 3.376460 21 H 6.983671 6.488080 4.410703 4.285058 3.376459 22 O 6.089733 4.779175 2.922158 4.022743 3.687372 23 O 4.779192 6.089739 5.662770 4.022752 3.687376 11 12 13 14 15 11 H 0.000000 12 C 3.787944 0.000000 13 C 3.787948 1.411331 0.000000 14 C 4.189095 2.513510 1.482359 0.000000 15 C 4.421771 2.887682 2.538118 1.490900 0.000000 16 C 4.421768 2.538118 2.887683 2.479158 1.343886 17 C 4.189087 1.482360 2.513511 2.919473 2.479157 18 H 4.436878 1.083852 2.168064 3.456119 3.912435 19 H 4.436881 2.168063 1.083851 2.156705 3.456859 20 H 5.057901 3.972781 3.498219 2.191887 1.087188 21 H 5.057896 3.498219 3.972781 3.484031 2.134947 22 O 4.868309 2.380202 3.637261 4.141880 3.574135 23 O 4.868324 3.637261 2.380202 1.227876 2.360427 16 17 18 19 20 16 C 0.000000 17 C 1.490900 0.000000 18 H 3.456859 2.156706 0.000000 19 H 3.912435 3.456119 2.498184 0.000000 20 H 2.134947 3.484031 4.995547 4.322003 0.000000 21 H 1.087188 2.191886 4.322003 4.995546 2.512134 22 O 2.360427 1.227875 2.598820 4.488138 4.486090 23 O 3.574135 4.141880 4.488138 2.598821 2.580837 21 22 23 21 H 0.000000 22 O 2.580837 0.000000 23 O 4.486089 5.359698 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] 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 1.547636 -1.155327 0.496353 2 6 0 2.611657 -0.699634 -0.301724 3 6 0 2.611657 0.699620 -0.301727 4 6 0 1.547638 1.155317 0.496347 5 1 0 1.366346 -2.194894 0.746833 6 1 0 3.242007 -1.328843 -0.921253 7 1 0 3.242009 1.328824 -0.921259 8 1 0 1.366349 2.194885 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000000 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196482 -1.459733 -0.249314 15 6 0 -2.191363 -0.671935 0.533224 16 6 0 -2.191358 0.671951 0.533224 17 6 0 -1.196468 1.459740 -0.249314 18 1 0 0.352679 1.249088 -1.734962 19 1 0 0.352669 -1.249096 -1.734959 20 1 0 -2.930742 -1.256055 1.075535 21 1 0 -2.930730 1.256079 1.075534 22 8 0 -1.304568 2.679853 -0.334850 23 8 0 -1.304595 -2.679845 -0.334851 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239595 0.8867608 0.5915310 1|1| IMPERIAL COLLEGE-CHWS-275|FTS|RB3LYP|6-31G(d)|C11H10O2|JFA14|04-N ov-2016|0||# opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity int egral=grid=ultrafine pop=full gfprint||Title Card Required||0,1|C,1.54 7637,-1.155326,0.496353|C,2.611657,-0.699633,-0.301724|C,2.611657,0.69 9621,-0.301727|C,1.547637,1.155318,0.496347|H,1.366347,-2.194893,0.746 833|H,3.242008,-1.328841,-0.921253|H,3.242008,1.328826,-0.921259|H,1.3 66348,2.194886,0.746823|C,1.154477,-0.000002,1.383851|H,0.129299,-0.00 0001,1.753001|H,1.823284,0.000001,2.260409|C,-0.11035,0.705663,-0.9194 68|C,-0.110356,-0.705668,-0.919468|C,-1.196481,-1.459734,-0.249314|C,- 2.191363,-0.671936,0.533224|C,-2.191358,0.67195,0.533224|C,-1.196469,1 .459739,-0.249314|H,0.352678,1.249088,-1.734962|H,0.35267,-1.249096,-1 .734959|H,-2.930741,-1.256057,1.075535|H,-2.930731,1.256077,1.075534|O ,-1.304569,2.679852,-0.33485|O,-1.304594,-2.679846,-0.334851||Version= EM64W-G09RevD.01|State=1-A|HF=-575.5265349|RMSD=6.907e-009|RMSF=3.690e -006|Dipole=0.9878034,0.0000016,0.458301|Polar=0.,0.,0.,0.,0.,0.|Quadr upole=5.7365901,-10.4189409,4.6823508,-0.0000878,-3.3826401,-0.0000039 |PG=C01 [X(C11H10O2)]||@ If your ship doesn't come in, swim out to it! -- Jonathan Winters Job cpu time: 0 days 0 hours 15 minutes 50.0 seconds. File lengths (MBytes): RWF= 129 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Fri Nov 04 08:08:12 2016. 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=4,29=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=4,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jfa14\Desktop\comp TS\Exercise\2\exo\JFA14 DA exo TS.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,1.547637,-1.155326,0.496353 C,0,2.611657,-0.699633,-0.301724 C,0,2.611657,0.699621,-0.301727 C,0,1.547637,1.155318,0.496347 H,0,1.366347,-2.194893,0.746833 H,0,3.242008,-1.328841,-0.921253 H,0,3.242008,1.328826,-0.921259 H,0,1.366348,2.194886,0.746823 C,0,1.154477,-0.000002,1.383851 H,0,0.129299,-0.000001,1.753001 H,0,1.823284,0.000001,2.260409 C,0,-0.11035,0.705663,-0.919468 C,0,-0.110356,-0.705668,-0.919468 C,0,-1.196481,-1.459734,-0.249314 C,0,-2.191363,-0.671936,0.533224 C,0,-2.191358,0.67195,0.533224 C,0,-1.196469,1.459739,-0.249314 H,0,0.352678,1.249088,-1.734962 H,0,0.35267,-1.249096,-1.734959 H,0,-2.930741,-1.256057,1.075535 H,0,-2.930731,1.256077,1.075534 O,0,-1.304569,2.679852,-0.33485 O,0,-1.304594,-2.679846,-0.334851 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.406 calculate D2E/DX2 analytically ! ! R2 R(1,5) 1.0846 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.509 calculate D2E/DX2 analytically ! ! R4 R(1,13) 2.2261 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.3993 calculate D2E/DX2 analytically ! ! R6 R(2,6) 1.0849 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.406 calculate D2E/DX2 analytically ! ! R8 R(3,7) 1.0849 calculate D2E/DX2 analytically ! ! R9 R(4,8) 1.0846 calculate D2E/DX2 analytically ! ! R10 R(4,9) 1.509 calculate D2E/DX2 analytically ! ! R11 R(4,12) 2.2261 calculate D2E/DX2 analytically ! ! R12 R(9,10) 1.0896 calculate D2E/DX2 analytically ! ! R13 R(9,11) 1.1026 calculate D2E/DX2 analytically ! ! R14 R(12,13) 1.4113 calculate D2E/DX2 analytically ! ! R15 R(12,17) 1.4824 calculate D2E/DX2 analytically ! ! R16 R(12,18) 1.0839 calculate D2E/DX2 analytically ! ! R17 R(13,14) 1.4824 calculate D2E/DX2 analytically ! ! R18 R(13,19) 1.0839 calculate D2E/DX2 analytically ! ! R19 R(14,15) 1.4909 calculate D2E/DX2 analytically ! ! R20 R(14,23) 1.2279 calculate D2E/DX2 analytically ! ! R21 R(15,16) 1.3439 calculate D2E/DX2 analytically ! ! R22 R(15,20) 1.0872 calculate D2E/DX2 analytically ! ! R23 R(16,17) 1.4909 calculate D2E/DX2 analytically ! ! R24 R(16,21) 1.0872 calculate D2E/DX2 analytically ! ! R25 R(17,22) 1.2279 calculate D2E/DX2 analytically ! ! A1 A(2,1,5) 124.6289 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 106.4323 calculate D2E/DX2 analytically ! ! A3 A(2,1,13) 97.8837 calculate D2E/DX2 analytically ! ! A4 A(5,1,9) 123.6749 calculate D2E/DX2 analytically ! ! A5 A(5,1,13) 102.474 calculate D2E/DX2 analytically ! ! A6 A(9,1,13) 91.453 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 108.9121 calculate D2E/DX2 analytically ! ! A8 A(1,2,6) 125.1607 calculate D2E/DX2 analytically ! ! A9 A(3,2,6) 125.4473 calculate D2E/DX2 analytically ! ! A10 A(2,3,4) 108.9121 calculate D2E/DX2 analytically ! ! A11 A(2,3,7) 125.4473 calculate D2E/DX2 analytically ! ! A12 A(4,3,7) 125.1607 calculate D2E/DX2 analytically ! ! A13 A(3,4,8) 124.6289 calculate D2E/DX2 analytically ! ! A14 A(3,4,9) 106.4322 calculate D2E/DX2 analytically ! ! A15 A(3,4,12) 97.8837 calculate D2E/DX2 analytically ! ! A16 A(8,4,9) 123.6749 calculate D2E/DX2 analytically ! ! A17 A(8,4,12) 102.4739 calculate D2E/DX2 analytically ! ! A18 A(9,4,12) 91.4532 calculate D2E/DX2 analytically ! ! A19 A(1,9,4) 99.9269 calculate D2E/DX2 analytically ! ! A20 A(1,9,10) 116.3848 calculate D2E/DX2 analytically ! ! A21 A(1,9,11) 108.0316 calculate D2E/DX2 analytically ! ! A22 A(4,9,10) 116.3848 calculate D2E/DX2 analytically ! ! A23 A(4,9,11) 108.0315 calculate D2E/DX2 analytically ! ! A24 A(10,9,11) 107.5402 calculate D2E/DX2 analytically ! ! A25 A(4,12,13) 101.6535 calculate D2E/DX2 analytically ! ! A26 A(4,12,17) 98.9413 calculate D2E/DX2 analytically ! ! A27 A(4,12,18) 93.3868 calculate D2E/DX2 analytically ! ! A28 A(13,12,17) 120.577 calculate D2E/DX2 analytically ! ! A29 A(13,12,18) 120.0916 calculate D2E/DX2 analytically ! ! A30 A(17,12,18) 113.46 calculate D2E/DX2 analytically ! ! A31 A(1,13,12) 101.6532 calculate D2E/DX2 analytically ! ! A32 A(1,13,14) 98.9415 calculate D2E/DX2 analytically ! ! A33 A(1,13,19) 93.3868 calculate D2E/DX2 analytically ! ! A34 A(12,13,14) 120.577 calculate D2E/DX2 analytically ! ! A35 A(12,13,19) 120.0916 calculate D2E/DX2 analytically ! ! A36 A(14,13,19) 113.4602 calculate D2E/DX2 analytically ! ! A37 A(13,14,15) 117.2212 calculate D2E/DX2 analytically ! ! A38 A(13,14,23) 122.5814 calculate D2E/DX2 analytically ! ! A39 A(15,14,23) 120.1902 calculate D2E/DX2 analytically ! ! A40 A(14,15,16) 121.8975 calculate D2E/DX2 analytically ! ! A41 A(14,15,20) 115.5781 calculate D2E/DX2 analytically ! ! A42 A(16,15,20) 122.4986 calculate D2E/DX2 analytically ! ! A43 A(15,16,17) 121.8975 calculate D2E/DX2 analytically ! ! A44 A(15,16,21) 122.4987 calculate D2E/DX2 analytically ! ! A45 A(17,16,21) 115.5781 calculate D2E/DX2 analytically ! ! A46 A(12,17,16) 117.2212 calculate D2E/DX2 analytically ! ! A47 A(12,17,22) 122.5813 calculate D2E/DX2 analytically ! ! A48 A(16,17,22) 120.1903 calculate D2E/DX2 analytically ! ! D1 D(5,1,2,3) -174.109 calculate D2E/DX2 analytically ! ! D2 D(5,1,2,6) 13.4959 calculate D2E/DX2 analytically ! ! D3 D(9,1,2,3) -19.12 calculate D2E/DX2 analytically ! ! D4 D(9,1,2,6) 168.4848 calculate D2E/DX2 analytically ! ! D5 D(13,1,2,3) 74.752 calculate D2E/DX2 analytically ! ! D6 D(13,1,2,6) -97.6431 calculate D2E/DX2 analytically ! ! D7 D(2,1,9,4) 28.7965 calculate D2E/DX2 analytically ! ! D8 D(2,1,9,10) 154.9843 calculate D2E/DX2 analytically ! ! D9 D(2,1,9,11) -83.9993 calculate D2E/DX2 analytically ! ! D10 D(5,1,9,4) -175.9146 calculate D2E/DX2 analytically ! ! D11 D(5,1,9,10) -49.7269 calculate D2E/DX2 analytically ! ! D12 D(5,1,9,11) 71.2896 calculate D2E/DX2 analytically ! ! D13 D(13,1,9,4) -69.8611 calculate D2E/DX2 analytically ! ! D14 D(13,1,9,10) 56.3266 calculate D2E/DX2 analytically ! ! D15 D(13,1,9,11) 177.3431 calculate D2E/DX2 analytically ! ! D16 D(2,1,13,12) -68.7366 calculate D2E/DX2 analytically ! ! D17 D(2,1,13,14) 167.3291 calculate D2E/DX2 analytically ! ! D18 D(2,1,13,19) 52.9341 calculate D2E/DX2 analytically ! ! D19 D(5,1,13,12) 163.0797 calculate D2E/DX2 analytically ! ! D20 D(5,1,13,14) 39.1455 calculate D2E/DX2 analytically ! ! D21 D(5,1,13,19) -75.2495 calculate D2E/DX2 analytically ! ! D22 D(9,1,13,12) 38.0725 calculate D2E/DX2 analytically ! ! D23 D(9,1,13,14) -85.8617 calculate D2E/DX2 analytically ! ! D24 D(9,1,13,19) 159.7433 calculate D2E/DX2 analytically ! ! D25 D(1,2,3,4) 0.0 calculate D2E/DX2 analytically ! ! D26 D(1,2,3,7) -172.368 calculate D2E/DX2 analytically ! ! D27 D(6,2,3,4) 172.368 calculate D2E/DX2 analytically ! ! D28 D(6,2,3,7) 0.0 calculate D2E/DX2 analytically ! ! D29 D(2,3,4,8) 174.1089 calculate D2E/DX2 analytically ! ! D30 D(2,3,4,9) 19.1201 calculate D2E/DX2 analytically ! ! D31 D(2,3,4,12) -74.7522 calculate D2E/DX2 analytically ! ! D32 D(7,3,4,8) -13.496 calculate D2E/DX2 analytically ! ! D33 D(7,3,4,9) -168.4848 calculate D2E/DX2 analytically ! ! D34 D(7,3,4,12) 97.6429 calculate D2E/DX2 analytically ! ! D35 D(3,4,9,1) -28.7965 calculate D2E/DX2 analytically ! ! D36 D(3,4,9,10) -154.9843 calculate D2E/DX2 analytically ! ! D37 D(3,4,9,11) 83.9993 calculate D2E/DX2 analytically ! ! D38 D(8,4,9,1) 175.9147 calculate D2E/DX2 analytically ! ! D39 D(8,4,9,10) 49.727 calculate D2E/DX2 analytically ! ! D40 D(8,4,9,11) -71.2894 calculate D2E/DX2 analytically ! ! D41 D(12,4,9,1) 69.8612 calculate D2E/DX2 analytically ! ! D42 D(12,4,9,10) -56.3265 calculate D2E/DX2 analytically ! ! D43 D(12,4,9,11) -177.3429 calculate D2E/DX2 analytically ! ! D44 D(3,4,12,13) 68.7368 calculate D2E/DX2 analytically ! ! D45 D(3,4,12,17) -167.329 calculate D2E/DX2 analytically ! ! D46 D(3,4,12,18) -52.9341 calculate D2E/DX2 analytically ! ! D47 D(8,4,12,13) -163.0796 calculate D2E/DX2 analytically ! ! D48 D(8,4,12,17) -39.1453 calculate D2E/DX2 analytically ! ! D49 D(8,4,12,18) 75.2495 calculate D2E/DX2 analytically ! ! D50 D(9,4,12,13) -38.0724 calculate D2E/DX2 analytically ! ! D51 D(9,4,12,17) 85.8619 calculate D2E/DX2 analytically ! ! D52 D(9,4,12,18) -159.7433 calculate D2E/DX2 analytically ! ! D53 D(4,12,13,1) 0.0 calculate D2E/DX2 analytically ! ! D54 D(4,12,13,14) 107.8295 calculate D2E/DX2 analytically ! ! D55 D(4,12,13,19) -100.9077 calculate D2E/DX2 analytically ! ! D56 D(17,12,13,1) -107.8296 calculate D2E/DX2 analytically ! ! D57 D(17,12,13,14) 0.0 calculate D2E/DX2 analytically ! ! D58 D(17,12,13,19) 151.2627 calculate D2E/DX2 analytically ! ! D59 D(18,12,13,1) 100.9079 calculate D2E/DX2 analytically ! ! D60 D(18,12,13,14) -151.2625 calculate D2E/DX2 analytically ! ! D61 D(18,12,13,19) 0.0002 calculate D2E/DX2 analytically ! ! D62 D(4,12,17,16) -103.081 calculate D2E/DX2 analytically ! ! D63 D(4,12,17,22) 77.8966 calculate D2E/DX2 analytically ! ! D64 D(13,12,17,16) 6.216 calculate D2E/DX2 analytically ! ! D65 D(13,12,17,22) -172.8064 calculate D2E/DX2 analytically ! ! D66 D(18,12,17,16) 159.2486 calculate D2E/DX2 analytically ! ! D67 D(18,12,17,22) -19.7738 calculate D2E/DX2 analytically ! ! D68 D(1,13,14,15) 103.0808 calculate D2E/DX2 analytically ! ! D69 D(1,13,14,23) -77.897 calculate D2E/DX2 analytically ! ! D70 D(12,13,14,15) -6.216 calculate D2E/DX2 analytically ! ! D71 D(12,13,14,23) 172.8062 calculate D2E/DX2 analytically ! ! D72 D(19,13,14,15) -159.2488 calculate D2E/DX2 analytically ! ! D73 D(19,13,14,23) 19.7735 calculate D2E/DX2 analytically ! ! D74 D(13,14,15,16) 6.3039 calculate D2E/DX2 analytically ! ! D75 D(13,14,15,20) -175.499 calculate D2E/DX2 analytically ! ! D76 D(23,14,15,16) -172.743 calculate D2E/DX2 analytically ! ! D77 D(23,14,15,20) 5.4541 calculate D2E/DX2 analytically ! ! D78 D(14,15,16,17) 0.0 calculate D2E/DX2 analytically ! ! D79 D(14,15,16,21) 178.0717 calculate D2E/DX2 analytically ! ! D80 D(20,15,16,17) -178.0718 calculate D2E/DX2 analytically ! ! D81 D(20,15,16,21) 0.0 calculate D2E/DX2 analytically ! ! D82 D(15,16,17,12) -6.3039 calculate D2E/DX2 analytically ! ! D83 D(15,16,17,22) 172.7431 calculate D2E/DX2 analytically ! ! D84 D(21,16,17,12) 175.4991 calculate D2E/DX2 analytically ! ! D85 D(21,16,17,22) -5.4539 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 1.547637 -1.155326 0.496353 2 6 0 2.611657 -0.699633 -0.301724 3 6 0 2.611657 0.699621 -0.301727 4 6 0 1.547637 1.155318 0.496347 5 1 0 1.366347 -2.194893 0.746833 6 1 0 3.242008 -1.328841 -0.921253 7 1 0 3.242008 1.328826 -0.921259 8 1 0 1.366348 2.194886 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000001 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196481 -1.459734 -0.249314 15 6 0 -2.191363 -0.671936 0.533224 16 6 0 -2.191358 0.671950 0.533224 17 6 0 -1.196469 1.459739 -0.249314 18 1 0 0.352678 1.249088 -1.734962 19 1 0 0.352670 -1.249096 -1.734959 20 1 0 -2.930741 -1.256057 1.075535 21 1 0 -2.930731 1.256077 1.075534 22 8 0 -1.304569 2.679852 -0.334850 23 8 0 -1.304594 -2.679846 -0.334851 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.405959 0.000000 3 C 2.282520 1.399254 0.000000 4 C 2.310644 2.282520 1.405959 0.000000 5 H 1.084576 2.210446 3.320916 3.364450 0.000000 6 H 2.215989 1.084925 2.212648 3.324384 2.655308 7 H 3.324384 2.212648 1.084925 2.215988 4.326341 8 H 3.364450 3.320916 2.210445 1.084576 4.389779 9 C 1.508974 2.335384 2.335384 1.508974 2.295262 10 H 2.219374 3.297496 3.297496 2.219375 2.712971 11 H 2.126654 2.770477 2.770477 2.126653 2.705044 12 C 2.866487 3.125026 2.791230 2.226127 3.656558 13 C 2.226136 2.791236 3.125027 2.866486 2.678619 14 C 2.859872 3.883609 4.378068 3.863249 2.846200 15 C 3.770298 4.875131 5.064318 4.161771 3.875865 16 C 4.161776 5.064319 4.875127 3.770290 4.574023 17 C 3.863250 4.378066 3.883600 2.859860 4.573475 18 H 3.491117 3.309784 2.731128 2.532876 4.364383 19 H 2.532882 2.731134 3.309785 3.491114 2.842774 20 H 4.516798 5.737998 6.036531 5.119185 4.410717 21 H 5.119189 6.036531 5.737992 4.516790 5.521061 22 O 4.851244 5.172895 4.388535 3.339187 5.662770 23 O 3.339204 4.388549 5.172902 4.851247 2.922182 6 7 8 9 10 6 H 0.000000 7 H 2.657667 0.000000 8 H 4.326341 2.655307 0.000000 9 C 3.381879 3.381878 2.295262 0.000000 10 H 4.313515 4.313514 2.712971 1.089615 0.000000 11 H 3.728481 3.728480 2.705042 1.102568 1.768346 12 C 3.921417 3.409786 2.678609 2.720851 2.774434 13 C 3.409794 3.921417 3.656555 2.720854 2.774435 14 C 4.490971 5.284672 4.573470 3.213261 2.810299 15 C 5.662910 5.969932 4.574014 3.517059 2.706441 16 C 5.969936 5.662903 3.875852 3.517058 2.706441 17 C 5.284672 4.490961 2.846184 3.213257 2.810297 18 H 3.956775 3.002782 2.842766 3.453998 3.711604 19 H 3.002791 3.956774 4.364378 3.453999 3.711603 20 H 6.488088 6.983669 5.521054 4.285060 3.376460 21 H 6.983671 6.488080 4.410703 4.285058 3.376459 22 O 6.089733 4.779175 2.922158 4.022743 3.687372 23 O 4.779192 6.089739 5.662770 4.022752 3.687376 11 12 13 14 15 11 H 0.000000 12 C 3.787944 0.000000 13 C 3.787948 1.411331 0.000000 14 C 4.189095 2.513510 1.482359 0.000000 15 C 4.421771 2.887682 2.538118 1.490900 0.000000 16 C 4.421768 2.538118 2.887683 2.479158 1.343886 17 C 4.189087 1.482360 2.513511 2.919473 2.479157 18 H 4.436878 1.083852 2.168064 3.456119 3.912435 19 H 4.436881 2.168063 1.083851 2.156705 3.456859 20 H 5.057901 3.972781 3.498219 2.191887 1.087188 21 H 5.057896 3.498219 3.972781 3.484031 2.134947 22 O 4.868309 2.380202 3.637261 4.141880 3.574135 23 O 4.868324 3.637261 2.380202 1.227876 2.360427 16 17 18 19 20 16 C 0.000000 17 C 1.490900 0.000000 18 H 3.456859 2.156706 0.000000 19 H 3.912435 3.456119 2.498184 0.000000 20 H 2.134947 3.484031 4.995547 4.322003 0.000000 21 H 1.087188 2.191886 4.322003 4.995546 2.512134 22 O 2.360427 1.227875 2.598820 4.488138 4.486090 23 O 3.574135 4.141880 4.488138 2.598821 2.580837 21 22 23 21 H 0.000000 22 O 2.580837 0.000000 23 O 4.486089 5.359698 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] 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 1.547636 -1.155327 0.496353 2 6 0 2.611657 -0.699634 -0.301724 3 6 0 2.611657 0.699620 -0.301727 4 6 0 1.547638 1.155317 0.496347 5 1 0 1.366346 -2.194894 0.746833 6 1 0 3.242007 -1.328843 -0.921253 7 1 0 3.242009 1.328824 -0.921259 8 1 0 1.366349 2.194885 0.746823 9 6 0 1.154477 -0.000002 1.383851 10 1 0 0.129299 -0.000001 1.753001 11 1 0 1.823284 0.000000 2.260409 12 6 0 -0.110350 0.705663 -0.919468 13 6 0 -0.110356 -0.705668 -0.919468 14 6 0 -1.196482 -1.459733 -0.249314 15 6 0 -2.191363 -0.671935 0.533224 16 6 0 -2.191358 0.671951 0.533224 17 6 0 -1.196468 1.459740 -0.249314 18 1 0 0.352679 1.249088 -1.734962 19 1 0 0.352669 -1.249096 -1.734959 20 1 0 -2.930742 -1.256055 1.075535 21 1 0 -2.930730 1.256079 1.075534 22 8 0 -1.304568 2.679853 -0.334850 23 8 0 -1.304595 -2.679845 -0.334851 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239595 0.8867608 0.5915310 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 2.924609071646 -2.183251048827 0.937971276317 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 2.924609071646 -2.183251048827 0.937971276317 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 2.924609071646 -2.183251048827 0.937971276317 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 2.924609071646 -2.183251048827 0.937971276317 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 4.935315919123 -1.322117123194 -0.570175686638 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 C2 Shell 6 SP 3 bf 17 - 20 4.935315919123 -1.322117123194 -0.570175686638 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 C2 Shell 7 SP 1 bf 21 - 24 4.935315919123 -1.322117123194 -0.570175686638 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 4.935315919123 -1.322117123194 -0.570175686638 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 4.935317293417 1.322089727150 -0.570181355816 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 10 SP 3 bf 32 - 35 4.935317293417 1.322089727150 -0.570181355816 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 11 SP 1 bf 36 - 39 4.935317293417 1.322089727150 -0.570181355816 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 4.935317293417 1.322089727150 -0.570181355816 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 2.924611341073 2.183233301768 0.937959937960 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 C4 Shell 14 SP 3 bf 47 - 50 2.924611341073 2.183233301768 0.937959937960 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 C4 Shell 15 SP 1 bf 51 - 54 2.924611341073 2.183233301768 0.937959937960 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 2.924611341073 2.183233301768 0.937959937960 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 2.582019599992 -4.147747797556 1.411309878082 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 2.582019599992 -4.147747797556 1.411309878082 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 6.126506058730 -2.511148542921 -1.740915828018 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 6.126506058730 -2.511148542921 -1.740915828018 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 6.126508668989 2.511114239486 -1.740927166375 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 6.126508668989 2.511114239486 -1.740927166375 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 2.582025801192 4.147732296334 1.411290980821 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 2.582025801192 4.147732296334 1.411290980821 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 2.181645479956 -0.000004707931 2.615099439801 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 2.181645479956 -0.000004707931 2.615099439801 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 2.181645479956 -0.000004707931 2.615099439801 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 2.181645479956 -0.000004707931 2.615099439801 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 0.244339822498 -0.000001811314 3.312691841756 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 0.244339822498 -0.000001811314 3.312691841756 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 3.445507545716 0.000000304371 4.271553999391 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 3.445507545716 0.000000304371 4.271553999391 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 -0.208530462445 1.333510125897 -1.737542666871 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 -0.208530462445 1.333510125897 -1.737542666871 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 -0.208530462445 1.333510125897 -1.737542666871 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 -0.208530462445 1.333510125897 -1.737542666871 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 -0.208543186958 -1.333518946949 -1.737542666871 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 C13 Shell 38 SP 3 bf 104 - 107 -0.208543186958 -1.333518946949 -1.737542666871 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 C13 Shell 39 SP 1 bf 108 - 111 -0.208543186958 -1.333518946949 -1.737542666871 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 -0.208543186958 -1.333518946949 -1.737542666871 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 41 S 6 bf 118 - 118 -2.261022723653 -2.758496106318 -0.471135140013 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 C14 Shell 42 SP 3 bf 119 - 122 -2.261022723653 -2.758496106318 -0.471135140013 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 C14 Shell 43 SP 1 bf 123 - 126 -2.261022723653 -2.758496106318 -0.471135140013 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 44 D 1 bf 127 - 132 -2.261022723653 -2.758496106318 -0.471135140013 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 45 S 6 bf 133 - 133 -4.141076464445 -1.269772661148 1.007647368563 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 46 SP 3 bf 134 - 137 -4.141076464445 -1.269772661148 1.007647368563 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 47 SP 1 bf 138 - 141 -4.141076464445 -1.269772661148 1.007647368563 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 48 D 1 bf 142 - 147 -4.141076464445 -1.269772661148 1.007647368563 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 -4.141065695901 1.269803832666 1.007647368563 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 50 SP 3 bf 149 - 152 -4.141065695901 1.269803832666 1.007647368563 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 51 SP 1 bf 153 - 156 -4.141065695901 1.269803832666 1.007647368563 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 -4.141065695901 1.269803832666 1.007647368563 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 53 S 6 bf 163 - 163 -2.260997179544 2.758508316023 -0.471135140013 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 54 SP 3 bf 164 - 167 -2.260997179544 2.758508316023 -0.471135140013 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 55 SP 1 bf 168 - 171 -2.260997179544 2.758508316023 -0.471135140013 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 56 D 1 bf 172 - 177 -2.260997179544 2.758508316023 -0.471135140013 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 0.666466183143 2.360434094892 -3.278602989883 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 0.666466183143 2.360434094892 -3.278602989883 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 0.666448611713 -2.360449494657 -3.278597320704 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 0.666448611713 -2.360449494657 -3.278597320704 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 -5.538298966827 -2.373600653427 2.032466637414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 -5.538298966827 -2.373600653427 2.032466637414 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -5.538277602243 2.373644615674 2.032464747688 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 -5.538277602243 2.373644615674 2.032464747688 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 65 S 6 bf 186 - 186 -2.465275376161 5.064187843368 -0.632774754516 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 66 SP 3 bf 187 - 190 -2.465275376161 5.064187843368 -0.632774754516 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 67 SP 1 bf 191 - 194 -2.465275376161 5.064187843368 -0.632774754516 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 68 D 1 bf 195 - 200 -2.465275376161 5.064187843368 -0.632774754516 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 69 S 6 bf 201 - 201 -2.465327883405 -5.064173531581 -0.632776644242 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 70 SP 3 bf 202 - 205 -2.465327883405 -5.064173531581 -0.632776644242 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 71 SP 1 bf 206 - 209 -2.465327883405 -5.064173531581 -0.632776644242 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 72 D 1 bf 210 - 215 -2.465327883405 -5.064173531581 -0.632776644242 0.8000000000D+00 0.1000000000D+01 There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 767.5011894626 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= 215 RedAO= T EigKep= 5.93D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jfa14\Desktop\comp TS\Exercise\2\exo\JFA14 DA exo TS.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. 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) = -575.526534893 A.U. after 1 cycles NFock= 1 Conv=0.33D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 215 NBasis= 215 NAE= 46 NBE= 46 NFC= 0 NFV= 0 NROrb= 215 NOA= 46 NOB= 46 NVA= 169 NVB= 169 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. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 1.08D-14 1.39D-09 XBig12= 2.90D+02 1.07D+01. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 1.08D-14 1.39D-09 XBig12= 6.06D+01 1.39D+00. 69 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 1.67D+00 2.00D-01. 69 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 1.36D-02 2.51D-02. 69 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 2.91D-05 1.04D-03. 66 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 2.95D-08 2.07D-05. 4 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 2.33D-11 5.79D-07. 3 vectors produced by pass 7 Test12= 1.08D-14 1.39D-09 XBig12= 1.70D-14 2.04D-08. InvSVY: IOpt=1 It= 1 EMax= 1.20D-14 Solved reduced A of dimension 418 with 72 vectors. Isotropic polarizability for W= 0.000000 121.05 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) (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) (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 -- -19.13735 -19.13734 -10.27826 -10.27826 -10.22333 Alpha occ. eigenvalues -- -10.22332 -10.21701 -10.21619 -10.20897 -10.20798 Alpha occ. eigenvalues -- -10.20749 -10.20657 -10.20603 -1.03518 -1.03315 Alpha occ. eigenvalues -- -0.88725 -0.83576 -0.76865 -0.72794 -0.72487 Alpha occ. eigenvalues -- -0.68782 -0.62359 -0.58754 -0.57409 -0.54806 Alpha occ. eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46923 Alpha occ. eigenvalues -- -0.44179 -0.41913 -0.40927 -0.40532 -0.39948 Alpha occ. eigenvalues -- -0.39484 -0.38956 -0.38867 -0.38103 -0.37270 Alpha occ. eigenvalues -- -0.33445 -0.28741 -0.25599 -0.25577 -0.25008 Alpha occ. eigenvalues -- -0.24350 Alpha virt. eigenvalues -- -0.09990 -0.03683 -0.01299 0.03531 0.06751 Alpha virt. eigenvalues -- 0.09522 0.10486 0.12823 0.13238 0.13537 Alpha virt. eigenvalues -- 0.15171 0.15590 0.15962 0.17006 0.17079 Alpha virt. eigenvalues -- 0.18744 0.19216 0.21097 0.22012 0.25351 Alpha virt. eigenvalues -- 0.28248 0.29461 0.29980 0.32264 0.34275 Alpha virt. eigenvalues -- 0.36389 0.39855 0.45834 0.46696 0.47957 Alpha virt. eigenvalues -- 0.49606 0.52000 0.52127 0.53036 0.53641 Alpha virt. eigenvalues -- 0.55466 0.57275 0.57829 0.58670 0.59285 Alpha virt. eigenvalues -- 0.61079 0.62470 0.63899 0.65215 0.65500 Alpha virt. eigenvalues -- 0.67641 0.67943 0.68510 0.72188 0.73958 Alpha virt. eigenvalues -- 0.73981 0.78866 0.79702 0.80345 0.81980 Alpha virt. eigenvalues -- 0.82480 0.82489 0.82716 0.83429 0.84800 Alpha virt. eigenvalues -- 0.86110 0.88186 0.88398 0.89340 0.91002 Alpha virt. eigenvalues -- 0.91387 0.93184 0.94844 0.98571 1.01500 Alpha virt. eigenvalues -- 1.02556 1.03787 1.04649 1.05893 1.06136 Alpha virt. eigenvalues -- 1.09491 1.11592 1.14930 1.16924 1.20942 Alpha virt. eigenvalues -- 1.22201 1.22416 1.23077 1.27285 1.32112 Alpha virt. eigenvalues -- 1.32562 1.39183 1.40226 1.40936 1.43477 Alpha virt. eigenvalues -- 1.44658 1.46107 1.47068 1.51419 1.52261 Alpha virt. eigenvalues -- 1.58382 1.63784 1.64470 1.66248 1.70208 Alpha virt. eigenvalues -- 1.77005 1.77206 1.79798 1.82734 1.83856 Alpha virt. eigenvalues -- 1.84605 1.87610 1.89140 1.89570 1.89791 Alpha virt. eigenvalues -- 1.90943 1.93126 1.95697 1.98325 1.98965 Alpha virt. eigenvalues -- 2.03350 2.05074 2.06064 2.07008 2.07442 Alpha virt. eigenvalues -- 2.09048 2.11483 2.13015 2.17998 2.18849 Alpha virt. eigenvalues -- 2.22719 2.25616 2.25653 2.28320 2.30653 Alpha virt. eigenvalues -- 2.32435 2.37547 2.37589 2.40383 2.45157 Alpha virt. eigenvalues -- 2.45285 2.52411 2.57313 2.58327 2.59382 Alpha virt. eigenvalues -- 2.61406 2.62376 2.63840 2.66181 2.66452 Alpha virt. eigenvalues -- 2.69005 2.71291 2.76348 2.84391 2.92097 Alpha virt. eigenvalues -- 2.95086 2.96445 2.97527 3.02389 3.18323 Alpha virt. eigenvalues -- 3.25169 4.03095 4.03775 4.10316 4.16793 Alpha virt. eigenvalues -- 4.22067 4.31874 4.35932 4.36358 4.46113 Alpha virt. eigenvalues -- 4.52092 4.63747 4.64169 4.90997 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13735 -19.13734 -10.27826 -10.27826 -10.22333 1 1 C 1S 0.00002 -0.00003 0.00005 0.00000 0.70490 2 2S 0.00010 -0.00011 -0.00008 0.00010 0.03649 3 2PX -0.00001 0.00003 -0.00014 0.00011 -0.00021 4 2PY -0.00002 -0.00001 -0.00001 0.00008 0.00053 5 2PZ 0.00002 0.00000 -0.00005 -0.00001 -0.00012 6 3S -0.00056 0.00065 0.00121 -0.00125 -0.01934 7 3PX 0.00026 -0.00016 0.00099 -0.00086 -0.00065 8 3PY -0.00008 0.00023 0.00100 -0.00123 -0.00596 9 3PZ -0.00008 0.00002 -0.00043 0.00043 0.00202 10 4XX 0.00001 -0.00003 0.00013 -0.00004 -0.00609 11 4YY 0.00002 -0.00004 0.00005 0.00000 -0.00611 12 4ZZ 0.00003 -0.00005 0.00010 -0.00003 -0.00609 13 4XY 0.00001 -0.00001 0.00000 -0.00001 0.00010 14 4XZ -0.00002 0.00001 -0.00002 0.00005 -0.00008 15 4YZ 0.00000 0.00001 -0.00003 0.00001 0.00002 16 2 C 1S 0.00000 0.00001 0.00006 -0.00005 0.01053 17 2S -0.00001 0.00004 0.00019 -0.00018 0.00023 18 2PX 0.00001 0.00000 0.00001 -0.00003 0.00003 19 2PY 0.00001 0.00001 -0.00001 -0.00008 0.00009 20 2PZ 0.00000 -0.00001 -0.00001 0.00004 -0.00014 21 3S 0.00016 -0.00018 -0.00235 0.00134 0.00928 22 3PX -0.00006 0.00014 0.00102 -0.00067 -0.00374 23 3PY 0.00008 -0.00007 -0.00038 0.00012 0.00127 24 3PZ -0.00004 -0.00004 -0.00080 0.00045 0.00289 25 4XX -0.00001 0.00000 0.00001 0.00001 -0.00024 26 4YY -0.00001 0.00001 0.00004 -0.00004 -0.00027 27 4ZZ -0.00001 0.00002 0.00003 -0.00004 -0.00027 28 4XY 0.00000 0.00000 -0.00001 0.00000 -0.00003 29 4XZ 0.00001 0.00000 0.00005 -0.00005 0.00013 30 4YZ 0.00000 -0.00001 0.00001 -0.00001 0.00008 31 3 C 1S 0.00001 0.00001 -0.00006 -0.00005 -0.01045 32 2S 0.00002 0.00004 -0.00020 -0.00017 -0.00023 33 2PX -0.00001 0.00000 -0.00001 -0.00003 -0.00003 34 2PY 0.00000 -0.00001 -0.00001 0.00008 0.00009 35 2PZ 0.00000 -0.00001 0.00001 0.00004 0.00014 36 3S -0.00018 -0.00016 0.00238 0.00129 -0.00925 37 3PX 0.00008 0.00013 -0.00103 -0.00064 0.00373 38 3PY 0.00009 0.00006 -0.00038 -0.00012 0.00127 39 3PZ 0.00004 -0.00004 0.00081 0.00043 -0.00288 40 4XX 0.00001 0.00000 -0.00001 0.00001 0.00024 41 4YY 0.00001 0.00001 -0.00005 -0.00004 0.00027 42 4ZZ 0.00002 0.00002 -0.00003 -0.00004 0.00027 43 4XY 0.00000 0.00000 -0.00001 0.00000 -0.00003 44 4XZ -0.00001 0.00000 -0.00006 -0.00005 -0.00013 45 4YZ 0.00000 0.00001 0.00001 0.00001 0.00008 46 4 C 1S -0.00002 -0.00002 -0.00005 0.00001 -0.69973 47 2S -0.00012 -0.00010 0.00008 0.00010 -0.03623 48 2PX 0.00002 0.00002 0.00014 0.00011 0.00021 49 2PY -0.00001 0.00002 -0.00001 -0.00007 0.00053 50 2PZ -0.00002 0.00000 0.00005 -0.00001 0.00012 51 3S 0.00063 0.00058 -0.00124 -0.00123 0.01923 52 3PX -0.00028 -0.00013 -0.00101 -0.00084 0.00064 53 3PY -0.00011 -0.00022 0.00102 0.00120 -0.00594 54 3PZ 0.00008 0.00001 0.00044 0.00042 -0.00202 55 4XX -0.00001 -0.00003 -0.00013 -0.00004 0.00604 56 4YY -0.00002 -0.00004 -0.00005 0.00000 0.00607 57 4ZZ -0.00004 -0.00005 -0.00010 -0.00002 0.00604 58 4XY 0.00001 0.00001 0.00000 0.00001 0.00010 59 4XZ 0.00002 0.00000 0.00002 0.00005 0.00008 60 4YZ 0.00000 -0.00001 -0.00003 -0.00001 0.00002 61 5 H 1S 0.00002 0.00001 0.00010 -0.00015 -0.00025 62 2S 0.00005 -0.00002 0.00045 -0.00046 0.00001 63 6 H 1S 0.00000 -0.00001 -0.00001 0.00000 0.00004 64 2S -0.00001 -0.00003 -0.00027 0.00018 0.00088 65 7 H 1S 0.00000 -0.00001 0.00001 0.00000 -0.00004 66 2S 0.00001 -0.00003 0.00028 0.00018 -0.00088 67 8 H 1S -0.00002 0.00001 -0.00010 -0.00014 0.00025 68 2S -0.00005 -0.00001 -0.00046 -0.00045 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00005 70 2S 0.00000 0.00003 0.00000 0.00001 0.00000 71 2PX 0.00000 -0.00001 0.00000 0.00011 0.00000 72 2PY -0.00001 0.00000 -0.00004 0.00000 -0.00025 73 2PZ 0.00000 0.00005 0.00000 0.00005 0.00000 74 3S -0.00004 -0.00064 0.00001 0.00047 0.00003 75 3PX 0.00000 -0.00001 0.00000 0.00034 0.00000 76 3PY -0.00030 0.00002 0.00018 0.00000 -0.00317 77 3PZ 0.00000 0.00001 -0.00001 -0.00083 -0.00001 78 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 79 4YY 0.00000 -0.00001 0.00000 -0.00004 0.00000 80 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 81 4XY 0.00002 0.00000 0.00006 0.00000 0.00008 82 4XZ 0.00000 0.00000 0.00000 -0.00008 0.00000 83 4YZ 0.00002 0.00000 -0.00004 0.00000 -0.00009 84 10 H 1S 0.00000 -0.00001 0.00000 -0.00012 0.00000 85 2S 0.00001 0.00014 0.00001 0.00062 0.00000 86 11 H 1S 0.00000 0.00003 0.00000 0.00005 0.00000 87 2S 0.00000 0.00008 0.00000 0.00023 0.00000 88 12 C 1S 0.00004 0.00004 0.00132 0.00133 0.00030 89 2S 0.00023 0.00020 -0.00041 -0.00027 0.00120 90 2PX 0.00006 0.00000 0.00004 0.00016 -0.00002 91 2PY 0.00004 -0.00009 -0.00010 0.00010 0.00012 92 2PZ 0.00005 0.00004 -0.00008 -0.00008 0.00012 93 3S -0.00359 -0.00075 0.01071 0.00338 -0.00821 94 3PX 0.00099 0.00053 -0.00380 -0.00169 -0.00069 95 3PY 0.00154 0.00034 -0.00284 -0.00016 0.00131 96 3PZ -0.00136 -0.00059 0.00317 0.00122 -0.00291 97 4XX 0.00001 0.00002 -0.00023 -0.00020 0.00010 98 4YY -0.00003 0.00003 -0.00020 -0.00020 0.00029 99 4ZZ 0.00005 0.00008 -0.00022 -0.00023 0.00018 100 4XY 0.00002 -0.00002 0.00016 0.00014 0.00003 101 4XZ 0.00002 0.00003 0.00001 0.00000 -0.00014 102 4YZ 0.00000 -0.00002 -0.00009 -0.00006 0.00004 103 13 C 1S -0.00003 0.00004 -0.00129 0.00136 -0.00030 104 2S -0.00020 0.00022 0.00040 -0.00028 -0.00121 105 2PX -0.00006 0.00001 -0.00004 0.00016 0.00002 106 2PY 0.00005 0.00008 -0.00011 -0.00010 0.00012 107 2PZ -0.00004 0.00005 0.00008 -0.00008 -0.00012 108 3S 0.00346 -0.00119 -0.01062 0.00362 0.00823 109 3PX -0.00091 0.00065 0.00376 -0.00178 0.00070 110 3PY 0.00149 -0.00053 -0.00284 0.00023 0.00130 111 3PZ 0.00128 -0.00075 -0.00314 0.00130 0.00292 112 4XX -0.00001 0.00002 0.00022 -0.00020 -0.00010 113 4YY 0.00003 0.00003 0.00020 -0.00020 -0.00030 114 4ZZ -0.00004 0.00009 0.00022 -0.00023 -0.00018 115 4XY 0.00002 0.00002 0.00016 -0.00014 0.00003 116 4XZ -0.00002 0.00003 -0.00001 0.00000 0.00015 117 4YZ 0.00001 0.00002 -0.00008 0.00006 0.00004 118 14 C 1S 0.00006 -0.00002 -0.69410 0.71018 0.00002 119 2S -0.00007 0.00027 -0.03483 0.03513 0.00002 120 2PX -0.00002 0.00001 -0.00001 0.00001 -0.00018 121 2PY 0.00005 -0.00002 0.00034 -0.00042 -0.00009 122 2PZ -0.00001 0.00001 -0.00001 0.00005 0.00000 123 3S 0.00075 -0.00184 0.01267 -0.00856 -0.00061 124 3PX -0.00046 0.00052 0.00111 -0.00097 -0.00111 125 3PY -0.00508 0.00402 0.00949 -0.00497 -0.00156 126 3PZ -0.00033 0.00012 0.00065 -0.00025 0.00025 127 4XX 0.00005 -0.00004 0.00636 -0.00660 -0.00016 128 4YY 0.00069 -0.00067 0.00555 -0.00588 -0.00010 129 4ZZ 0.00011 -0.00005 0.00633 -0.00664 -0.00003 130 4XY 0.00006 -0.00006 -0.00009 0.00009 -0.00005 131 4XZ 0.00005 -0.00001 0.00000 -0.00009 -0.00001 132 4YZ 0.00004 -0.00004 -0.00006 0.00008 -0.00004 133 15 C 1S -0.00001 0.00002 -0.00137 0.00148 0.00010 134 2S -0.00012 0.00015 0.00041 -0.00024 0.00005 135 2PX 0.00002 0.00002 0.00012 -0.00015 0.00004 136 2PY 0.00004 0.00009 -0.00012 -0.00006 -0.00002 137 2PZ -0.00001 -0.00001 -0.00007 0.00016 -0.00003 138 3S 0.00304 -0.00042 -0.01134 0.00268 0.00053 139 3PX 0.00130 -0.00076 -0.00453 0.00173 -0.00004 140 3PY 0.00157 -0.00081 -0.00358 0.00059 0.00092 141 3PZ -0.00084 0.00051 0.00298 -0.00126 0.00013 142 4XX 0.00003 0.00000 0.00022 -0.00020 0.00003 143 4YY 0.00009 -0.00003 0.00029 -0.00021 0.00003 144 4ZZ 0.00001 0.00003 0.00026 -0.00023 0.00004 145 4XY -0.00002 0.00000 -0.00014 0.00011 -0.00001 146 4XZ -0.00002 0.00005 -0.00005 0.00002 0.00000 147 4YZ 0.00002 0.00000 0.00013 -0.00012 -0.00001 148 16 C 1S 0.00001 0.00002 0.00141 0.00145 -0.00010 149 2S 0.00014 0.00014 -0.00042 -0.00023 -0.00005 150 2PX -0.00002 0.00002 -0.00013 -0.00015 -0.00003 151 2PY 0.00003 -0.00010 -0.00012 0.00007 -0.00002 152 2PZ 0.00001 -0.00001 0.00007 0.00016 0.00003 153 3S -0.00307 -0.00004 0.01140 0.00242 -0.00053 154 3PX -0.00138 -0.00059 0.00457 0.00163 0.00004 155 3PY 0.00165 0.00060 -0.00359 -0.00051 0.00092 156 3PZ 0.00090 0.00040 -0.00301 -0.00119 -0.00013 157 4XX -0.00003 0.00000 -0.00023 -0.00020 -0.00003 158 4YY -0.00010 -0.00002 -0.00029 -0.00020 -0.00003 159 4ZZ -0.00001 0.00003 -0.00027 -0.00023 -0.00004 160 4XY -0.00002 0.00000 -0.00014 -0.00011 -0.00001 161 4XZ 0.00003 0.00004 0.00005 0.00001 0.00000 162 4YZ 0.00002 0.00000 0.00013 0.00012 -0.00001 163 17 C 1S -0.00006 -0.00001 0.71029 0.69399 -0.00002 164 2S 0.00011 0.00026 0.03563 0.03432 -0.00002 165 2PX 0.00002 0.00000 0.00001 0.00001 0.00018 166 2PY 0.00005 0.00001 0.00035 0.00042 -0.00009 167 2PZ 0.00001 0.00001 0.00001 0.00005 0.00000 168 3S -0.00098 -0.00173 -0.01287 -0.00826 0.00061 169 3PX 0.00052 0.00046 -0.00114 -0.00094 0.00111 170 3PY -0.00555 -0.00335 0.00961 0.00475 -0.00156 171 3PZ 0.00034 0.00008 -0.00065 -0.00023 -0.00025 172 4XX -0.00005 -0.00003 -0.00651 -0.00645 0.00016 173 4YY -0.00077 -0.00058 -0.00568 -0.00575 0.00010 174 4ZZ -0.00011 -0.00004 -0.00648 -0.00649 0.00003 175 4XY 0.00007 0.00005 -0.00009 -0.00009 -0.00005 176 4XZ -0.00005 0.00000 -0.00001 -0.00009 0.00001 177 4YZ 0.00004 0.00004 -0.00006 -0.00008 -0.00004 178 18 H 1S -0.00004 -0.00003 0.00008 0.00003 0.00023 179 2S -0.00052 -0.00029 0.00107 0.00046 -0.00024 180 19 H 1S 0.00004 -0.00003 -0.00008 0.00003 -0.00023 181 2S 0.00048 -0.00035 -0.00106 0.00048 0.00024 182 20 H 1S 0.00007 -0.00006 -0.00015 0.00005 0.00003 183 2S 0.00059 -0.00054 -0.00146 0.00079 0.00007 184 21 H 1S -0.00007 -0.00005 0.00015 0.00005 -0.00003 185 2S -0.00065 -0.00047 0.00147 0.00076 -0.00007 186 22 O 1S 0.74455 0.65652 0.00006 -0.00003 -0.00006 187 2S 0.01885 0.01679 0.00093 0.00050 -0.00026 188 2PX 0.00008 0.00007 -0.00001 -0.00002 -0.00001 189 2PY -0.00083 -0.00073 0.00004 0.00004 0.00004 190 2PZ 0.00006 0.00005 -0.00001 -0.00001 0.00000 191 3S 0.01315 0.01036 -0.00661 -0.00357 0.00159 192 3PX 0.00018 0.00011 -0.00013 0.00000 -0.00005 193 3PY -0.00188 -0.00137 0.00229 0.00166 -0.00038 194 3PZ 0.00014 0.00012 -0.00014 -0.00011 0.00009 195 4XX -0.00636 -0.00549 0.00064 0.00036 -0.00015 196 4YY -0.00589 -0.00513 0.00007 -0.00013 -0.00016 197 4ZZ -0.00636 -0.00549 0.00066 0.00039 -0.00019 198 4XY -0.00005 -0.00004 0.00004 0.00002 0.00000 199 4XZ 0.00001 0.00000 0.00004 0.00005 0.00000 200 4YZ -0.00004 -0.00004 0.00005 0.00005 -0.00002 201 23 O 1S -0.65647 0.74459 -0.00006 -0.00003 0.00006 202 2S -0.01660 0.01902 -0.00092 0.00053 0.00026 203 2PX -0.00007 0.00008 0.00001 -0.00002 0.00001 204 2PY -0.00073 0.00083 0.00004 -0.00004 0.00004 205 2PZ -0.00005 0.00006 0.00001 -0.00001 0.00000 206 3S -0.01175 0.01193 0.00653 -0.00372 -0.00160 207 3PX -0.00016 0.00013 0.00013 -0.00001 0.00005 208 3PY -0.00170 0.00159 0.00226 -0.00171 -0.00039 209 3PZ -0.00012 0.00014 0.00014 -0.00011 -0.00009 210 4XX 0.00563 -0.00624 -0.00063 0.00038 0.00015 211 4YY 0.00520 -0.00582 -0.00007 -0.00012 0.00017 212 4ZZ 0.00563 -0.00625 -0.00065 0.00041 0.00019 213 4XY -0.00005 0.00004 0.00004 -0.00002 0.00000 214 4XZ -0.00001 0.00000 -0.00004 0.00005 0.00000 215 4YZ -0.00003 0.00004 0.00005 -0.00005 -0.00002 6 7 8 9 10 O O O O O Eigenvalues -- -10.22332 -10.21701 -10.21619 -10.20897 -10.20798 1 1 C 1S 0.69948 -0.00013 0.00008 -0.00890 -0.00007 2 2S 0.03518 0.00008 -0.00003 -0.00048 -0.00060 3 2PX -0.00003 0.00000 0.00001 0.00001 0.00002 4 2PY 0.00036 0.00002 0.00002 0.00002 -0.00015 5 2PZ -0.00019 -0.00001 0.00001 -0.00005 0.00004 6 3S -0.01427 -0.00056 0.00026 0.00441 0.00247 7 3PX -0.00045 -0.00006 -0.00013 -0.00085 -0.00031 8 3PY -0.00270 -0.00037 -0.00015 0.00131 0.00063 9 3PZ 0.00071 0.00005 0.00021 0.00170 -0.00098 10 4XX -0.00630 0.00002 -0.00003 -0.00003 -0.00009 11 4YY -0.00596 0.00001 -0.00002 -0.00016 -0.00029 12 4ZZ -0.00629 0.00004 -0.00002 -0.00011 -0.00009 13 4XY 0.00005 0.00000 0.00001 0.00005 -0.00002 14 4XZ -0.00012 -0.00001 -0.00001 0.00005 0.00014 15 4YZ -0.00013 -0.00003 0.00002 -0.00014 -0.00002 16 2 C 1S 0.01080 0.00006 -0.00003 -0.00194 -0.00260 17 2S 0.00016 0.00003 -0.00002 -0.00038 -0.00016 18 2PX 0.00003 -0.00001 0.00001 0.00003 0.00012 19 2PY 0.00001 0.00000 0.00000 -0.00002 -0.00003 20 2PZ -0.00009 0.00002 0.00001 -0.00004 -0.00002 21 3S 0.00410 0.00010 0.00023 0.00051 -0.00066 22 3PX -0.00169 -0.00005 -0.00012 -0.00041 0.00033 23 3PY -0.00022 0.00000 0.00000 0.00008 0.00013 24 3PZ 0.00121 -0.00002 -0.00002 0.00039 -0.00017 25 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 26 4YY -0.00014 0.00001 -0.00001 0.00002 -0.00005 27 4ZZ -0.00025 0.00000 -0.00001 0.00005 -0.00003 28 4XY -0.00014 -0.00001 0.00000 0.00001 0.00004 29 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 30 4YZ 0.00008 0.00000 0.00000 0.00006 -0.00006 31 3 C 1S 0.01088 0.00006 0.00003 -0.00194 -0.00260 32 2S 0.00017 0.00003 0.00002 -0.00038 -0.00016 33 2PX 0.00003 -0.00001 -0.00001 0.00003 0.00012 34 2PY -0.00001 0.00000 0.00000 0.00002 0.00003 35 2PZ -0.00009 0.00002 -0.00001 -0.00004 -0.00002 36 3S 0.00416 0.00010 -0.00023 0.00051 -0.00067 37 3PX -0.00172 -0.00005 0.00012 -0.00041 0.00033 38 3PY 0.00021 0.00000 0.00000 -0.00008 -0.00013 39 3PZ 0.00123 -0.00002 0.00002 0.00039 -0.00017 40 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 41 4YY -0.00014 0.00001 0.00001 0.00002 -0.00005 42 4ZZ -0.00025 0.00000 0.00001 0.00005 -0.00003 43 4XY 0.00014 0.00001 0.00000 -0.00001 -0.00004 44 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 45 4YZ -0.00008 0.00000 0.00000 -0.00006 0.00006 46 4 C 1S 0.70466 -0.00013 -0.00008 -0.00890 -0.00007 47 2S 0.03545 0.00008 0.00003 -0.00048 -0.00060 48 2PX -0.00003 0.00000 -0.00001 0.00001 0.00002 49 2PY -0.00036 -0.00002 0.00002 -0.00002 0.00015 50 2PZ -0.00019 -0.00001 -0.00001 -0.00005 0.00004 51 3S -0.01441 -0.00056 -0.00026 0.00441 0.00247 52 3PX -0.00046 -0.00006 0.00013 -0.00085 -0.00031 53 3PY 0.00275 0.00037 -0.00015 -0.00131 -0.00063 54 3PZ 0.00073 0.00005 -0.00021 0.00170 -0.00099 55 4XX -0.00634 0.00002 0.00003 -0.00003 -0.00009 56 4YY -0.00600 0.00001 0.00002 -0.00016 -0.00029 57 4ZZ -0.00634 0.00004 0.00002 -0.00011 -0.00009 58 4XY -0.00005 0.00000 0.00001 -0.00005 0.00002 59 4XZ -0.00012 -0.00001 0.00001 0.00005 0.00014 60 4YZ 0.00013 0.00003 0.00002 0.00014 0.00002 61 5 H 1S -0.00027 -0.00002 -0.00004 -0.00017 -0.00005 62 2S 0.00122 -0.00006 -0.00017 -0.00025 0.00006 63 6 H 1S -0.00010 0.00000 -0.00001 -0.00002 0.00008 64 2S 0.00034 -0.00001 0.00000 0.00032 -0.00014 65 7 H 1S -0.00010 0.00000 0.00001 -0.00002 0.00008 66 2S 0.00035 -0.00001 0.00000 0.00032 -0.00014 67 8 H 1S -0.00027 -0.00002 0.00004 -0.00017 -0.00005 68 2S 0.00122 -0.00006 0.00017 -0.00025 0.00006 69 9 C 1S 0.01238 0.00028 0.00000 0.99297 0.00541 70 2S 0.00040 0.00016 0.00000 0.05060 -0.00015 71 2PX -0.00009 -0.00007 0.00000 0.00019 0.00014 72 2PY 0.00000 0.00000 -0.00005 0.00000 0.00000 73 2PZ -0.00005 0.00009 0.00000 -0.00027 0.00032 74 3S 0.00736 -0.00120 0.00000 -0.02055 0.00030 75 3PX 0.00134 0.00110 0.00000 -0.00089 -0.00120 76 3PY 0.00001 0.00000 0.00038 0.00000 0.00000 77 3PZ -0.00229 -0.00095 0.00000 0.00195 -0.00087 78 4XX -0.00020 0.00002 0.00000 -0.00875 -0.00020 79 4YY -0.00055 0.00012 0.00000 -0.00899 -0.00019 80 4ZZ -0.00027 0.00012 0.00000 -0.00889 -0.00020 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00015 -0.00003 0.00000 0.00000 0.00005 83 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 84 10 H 1S -0.00020 -0.00024 0.00000 -0.00004 -0.00012 85 2S 0.00029 0.00229 0.00000 0.00297 -0.00058 86 11 H 1S -0.00035 0.00007 0.00000 0.00011 0.00007 87 2S 0.00019 0.00017 0.00000 0.00270 0.00094 88 12 C 1S -0.00023 -0.00037 0.00002 -0.00396 0.70237 89 2S -0.00073 -0.00016 0.00011 -0.00044 0.03550 90 2PX 0.00000 0.00004 0.00005 0.00003 0.00007 91 2PY 0.00005 0.00001 -0.00003 0.00011 0.00000 92 2PZ -0.00002 -0.00006 -0.00002 -0.00018 0.00037 93 3S 0.00318 0.00018 -0.00288 0.00084 -0.01129 94 3PX 0.00055 0.00006 0.00073 -0.00047 0.00077 95 3PY 0.00046 0.00016 0.00155 -0.00020 -0.00111 96 3PZ 0.00087 0.00010 -0.00061 0.00084 -0.00171 97 4XX -0.00007 -0.00002 0.00003 -0.00012 -0.00641 98 4YY -0.00021 0.00001 0.00002 -0.00005 -0.00643 99 4ZZ -0.00017 -0.00004 0.00005 -0.00004 -0.00632 100 4XY 0.00005 -0.00002 -0.00002 -0.00008 -0.00001 101 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 102 4YZ 0.00004 0.00001 -0.00001 0.00001 -0.00010 103 13 C 1S -0.00022 -0.00037 -0.00002 -0.00396 0.70181 104 2S -0.00072 -0.00016 -0.00011 -0.00044 0.03547 105 2PX 0.00000 0.00004 -0.00005 0.00003 0.00007 106 2PY -0.00005 -0.00001 -0.00003 -0.00011 0.00000 107 2PZ -0.00002 -0.00006 0.00002 -0.00018 0.00037 108 3S 0.00312 0.00018 0.00288 0.00084 -0.01126 109 3PX 0.00054 0.00006 -0.00073 -0.00047 0.00077 110 3PY -0.00047 -0.00016 0.00155 0.00020 0.00112 111 3PZ 0.00085 0.00010 0.00061 0.00084 -0.00171 112 4XX -0.00007 -0.00002 -0.00003 -0.00012 -0.00640 113 4YY -0.00021 0.00001 -0.00002 -0.00005 -0.00642 114 4ZZ -0.00017 -0.00004 -0.00005 -0.00004 -0.00632 115 4XY -0.00005 0.00002 -0.00002 0.00008 0.00001 116 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 117 4YZ -0.00004 -0.00001 -0.00001 -0.00001 0.00010 118 14 C 1S 0.00001 -0.00169 0.00169 0.00003 -0.00160 119 2S 0.00001 -0.00034 0.00043 0.00008 -0.00047 120 2PX -0.00004 0.00016 -0.00009 -0.00004 -0.00010 121 2PY -0.00004 -0.00008 0.00009 -0.00002 -0.00005 122 2PZ 0.00000 -0.00006 0.00008 -0.00002 0.00015 123 3S 0.00024 0.00262 -0.00668 -0.00063 0.00312 124 3PX -0.00078 -0.00109 0.00172 -0.00050 0.00231 125 3PY -0.00095 0.00138 -0.00289 -0.00022 0.00276 126 3PZ 0.00027 0.00069 -0.00147 0.00028 -0.00119 127 4XX -0.00004 -0.00024 0.00027 -0.00003 -0.00021 128 4YY 0.00003 -0.00013 0.00018 -0.00006 -0.00021 129 4ZZ 0.00000 -0.00017 0.00025 0.00004 -0.00022 130 4XY 0.00000 0.00006 -0.00009 -0.00002 -0.00007 131 4XZ 0.00000 0.00011 -0.00012 -0.00002 0.00011 132 4YZ -0.00004 -0.00004 0.00005 -0.00001 0.00008 133 15 C 1S 0.00016 0.70188 -0.70217 -0.00013 0.00031 134 2S 0.00007 0.03487 -0.03584 0.00014 -0.00015 135 2PX 0.00005 0.00019 -0.00019 0.00004 -0.00011 136 2PY 0.00000 -0.00011 -0.00043 0.00002 0.00002 137 2PZ 0.00000 -0.00002 0.00013 0.00001 0.00005 138 3S -0.00053 -0.00760 0.01887 -0.00053 0.00058 139 3PX -0.00008 -0.00096 0.00354 -0.00023 0.00000 140 3PY 0.00037 0.00069 0.00330 0.00005 -0.00068 141 3PZ 0.00001 0.00053 -0.00271 0.00001 0.00001 142 4XX 0.00003 -0.00679 0.00654 0.00005 -0.00004 143 4YY 0.00001 -0.00666 0.00619 0.00004 0.00003 144 4ZZ 0.00005 -0.00679 0.00658 0.00009 -0.00009 145 4XY 0.00001 0.00004 0.00000 0.00000 -0.00002 146 4XZ 0.00000 -0.00004 0.00006 0.00001 -0.00003 147 4YZ -0.00003 -0.00003 -0.00001 -0.00001 0.00004 148 16 C 1S 0.00016 0.70181 0.70225 -0.00013 0.00031 149 2S 0.00007 0.03486 0.03584 0.00014 -0.00014 150 2PX 0.00005 0.00019 0.00019 0.00004 -0.00011 151 2PY 0.00000 0.00011 -0.00043 -0.00002 -0.00002 152 2PZ 0.00000 -0.00002 -0.00013 0.00001 0.00005 153 3S -0.00053 -0.00760 -0.01887 -0.00053 0.00058 154 3PX -0.00008 -0.00096 -0.00355 -0.00023 0.00000 155 3PY -0.00037 -0.00069 0.00330 -0.00005 0.00068 156 3PZ 0.00001 0.00053 0.00271 0.00001 0.00001 157 4XX 0.00003 -0.00679 -0.00654 0.00005 -0.00004 158 4YY 0.00001 -0.00665 -0.00619 0.00004 0.00003 159 4ZZ 0.00005 -0.00679 -0.00658 0.00009 -0.00009 160 4XY -0.00001 -0.00004 0.00000 0.00000 0.00002 161 4XZ 0.00000 -0.00004 -0.00006 0.00001 -0.00003 162 4YZ 0.00003 0.00003 -0.00001 0.00001 -0.00004 163 17 C 1S 0.00001 -0.00169 -0.00169 0.00003 -0.00160 164 2S 0.00001 -0.00034 -0.00043 0.00008 -0.00047 165 2PX -0.00004 0.00016 0.00009 -0.00004 -0.00010 166 2PY 0.00005 0.00008 0.00009 0.00002 0.00005 167 2PZ 0.00000 -0.00006 -0.00008 -0.00002 0.00015 168 3S 0.00023 0.00262 0.00668 -0.00063 0.00313 169 3PX -0.00079 -0.00109 -0.00172 -0.00050 0.00231 170 3PY 0.00096 -0.00138 -0.00289 0.00022 -0.00277 171 3PZ 0.00027 0.00069 0.00147 0.00028 -0.00119 172 4XX -0.00004 -0.00024 -0.00027 -0.00003 -0.00021 173 4YY 0.00003 -0.00013 -0.00018 -0.00006 -0.00021 174 4ZZ 0.00000 -0.00017 -0.00025 0.00004 -0.00022 175 4XY 0.00000 -0.00006 -0.00009 0.00002 0.00007 176 4XZ 0.00000 0.00011 0.00012 -0.00002 0.00011 177 4YZ 0.00004 0.00004 0.00005 0.00001 -0.00008 178 18 H 1S -0.00012 -0.00001 -0.00004 0.00005 -0.00016 179 2S -0.00039 0.00005 -0.00021 0.00050 0.00152 180 19 H 1S -0.00012 -0.00001 0.00004 0.00005 -0.00016 181 2S -0.00039 0.00005 0.00021 0.00050 0.00152 182 20 H 1S 0.00004 -0.00029 0.00032 0.00002 -0.00008 183 2S 0.00006 0.00125 -0.00029 -0.00002 -0.00001 184 21 H 1S 0.00004 -0.00029 -0.00032 0.00002 -0.00008 185 2S 0.00006 0.00125 0.00029 -0.00002 -0.00001 186 22 O 1S 0.00007 -0.00003 0.00001 0.00000 -0.00010 187 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 188 2PX 0.00001 -0.00001 -0.00002 0.00000 -0.00001 189 2PY -0.00003 0.00000 -0.00002 -0.00001 0.00003 190 2PZ -0.00001 -0.00001 0.00003 0.00002 -0.00001 191 3S -0.00160 0.00077 0.00004 0.00003 0.00252 192 3PX 0.00000 0.00015 0.00030 0.00009 -0.00015 193 3PY 0.00046 -0.00019 0.00021 -0.00004 -0.00071 194 3PZ -0.00006 0.00002 -0.00026 -0.00009 0.00023 195 4XX 0.00019 -0.00008 0.00006 0.00000 -0.00029 196 4YY 0.00014 -0.00004 0.00002 0.00002 -0.00016 197 4ZZ 0.00021 -0.00010 0.00002 0.00000 -0.00033 198 4XY 0.00000 -0.00001 -0.00004 -0.00002 0.00000 199 4XZ 0.00000 -0.00004 -0.00003 0.00000 -0.00005 200 4YZ 0.00002 -0.00003 0.00003 0.00001 -0.00004 201 23 O 1S 0.00007 -0.00003 -0.00001 0.00000 -0.00010 202 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 203 2PX 0.00001 -0.00001 0.00002 0.00000 -0.00001 204 2PY 0.00003 0.00000 -0.00002 0.00001 -0.00003 205 2PZ -0.00001 -0.00001 -0.00003 0.00002 -0.00001 206 3S -0.00158 0.00077 -0.00004 0.00003 0.00252 207 3PX 0.00000 0.00015 -0.00030 0.00009 -0.00015 208 3PY -0.00046 0.00019 0.00021 0.00004 0.00071 209 3PZ -0.00006 0.00002 0.00026 -0.00009 0.00023 210 4XX 0.00019 -0.00008 -0.00006 0.00000 -0.00029 211 4YY 0.00014 -0.00004 -0.00002 0.00002 -0.00016 212 4ZZ 0.00021 -0.00010 -0.00002 0.00000 -0.00033 213 4XY 0.00000 0.00001 -0.00004 0.00002 0.00000 214 4XZ 0.00000 -0.00004 0.00003 0.00000 -0.00005 215 4YZ -0.00002 0.00003 0.00003 -0.00001 0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.20749 -10.20657 -10.20603 -1.03518 -1.03315 1 1 C 1S -0.00016 -0.01105 -0.01072 -0.00251 -0.00132 2 2S -0.00125 -0.00064 -0.00065 0.00349 0.00167 3 2PX -0.00001 -0.00017 -0.00008 -0.00103 -0.00103 4 2PY -0.00016 -0.00002 -0.00010 0.00029 -0.00042 5 2PZ -0.00007 0.00004 -0.00002 -0.00046 -0.00035 6 3S 0.00659 0.00197 0.00549 0.00685 0.00122 7 3PX -0.00071 0.00090 0.00163 -0.00279 -0.00389 8 3PY 0.00298 0.00001 0.00172 0.00600 0.00151 9 3PZ -0.00133 -0.00065 -0.00084 -0.00012 0.00089 10 4XX -0.00009 -0.00002 -0.00010 -0.00007 0.00001 11 4YY -0.00022 0.00010 -0.00006 -0.00005 -0.00008 12 4ZZ -0.00023 0.00003 -0.00003 -0.00041 -0.00013 13 4XY -0.00010 -0.00003 -0.00004 -0.00007 -0.00006 14 4XZ 0.00015 0.00008 0.00014 0.00000 0.00020 15 4YZ -0.00009 -0.00003 0.00007 0.00009 0.00003 16 2 C 1S -0.00024 0.70182 0.70214 -0.00095 -0.00032 17 2S 0.00002 0.03492 0.03574 0.00239 -0.00006 18 2PX 0.00008 -0.00029 -0.00032 -0.00110 -0.00029 19 2PY 0.00000 -0.00007 0.00031 0.00045 -0.00030 20 2PZ -0.00005 0.00003 0.00009 0.00033 -0.00003 21 3S -0.00332 -0.00727 -0.01874 -0.00026 0.00536 22 3PX 0.00160 0.00112 0.00331 0.00189 -0.00202 23 3PY -0.00090 0.00031 -0.00431 -0.00156 0.00165 24 3PZ -0.00088 -0.00054 -0.00207 -0.00041 0.00247 25 4XX -0.00004 -0.00666 -0.00640 0.00000 -0.00004 26 4YY -0.00005 -0.00675 -0.00613 0.00016 0.00007 27 4ZZ 0.00001 -0.00665 -0.00638 0.00014 -0.00006 28 4XY 0.00000 -0.00007 0.00002 0.00005 0.00007 29 4XZ 0.00001 -0.00011 -0.00015 -0.00008 -0.00012 30 4YZ -0.00005 0.00005 0.00006 -0.00007 -0.00004 31 3 C 1S 0.00023 0.70183 -0.70213 -0.00095 0.00032 32 2S -0.00002 0.03492 -0.03573 0.00239 0.00006 33 2PX -0.00008 -0.00029 0.00032 -0.00110 0.00029 34 2PY 0.00000 0.00007 0.00031 -0.00045 -0.00030 35 2PZ 0.00005 0.00003 -0.00009 0.00033 0.00003 36 3S 0.00332 -0.00727 0.01874 -0.00026 -0.00536 37 3PX -0.00160 0.00112 -0.00331 0.00189 0.00202 38 3PY -0.00090 -0.00031 -0.00431 0.00156 0.00165 39 3PZ 0.00088 -0.00054 0.00207 -0.00041 -0.00247 40 4XX 0.00004 -0.00666 0.00640 0.00000 0.00004 41 4YY 0.00005 -0.00675 0.00613 0.00016 -0.00007 42 4ZZ -0.00001 -0.00665 0.00638 0.00014 0.00006 43 4XY 0.00000 0.00007 0.00002 -0.00005 0.00006 44 4XZ -0.00001 -0.00011 0.00015 -0.00008 0.00012 45 4YZ -0.00005 -0.00005 0.00006 0.00007 -0.00004 46 4 C 1S 0.00016 -0.01105 0.01072 -0.00251 0.00132 47 2S 0.00125 -0.00064 0.00065 0.00349 -0.00167 48 2PX 0.00001 -0.00017 0.00008 -0.00103 0.00103 49 2PY -0.00016 0.00002 -0.00010 -0.00029 -0.00042 50 2PZ 0.00007 0.00004 0.00002 -0.00046 0.00035 51 3S -0.00659 0.00197 -0.00549 0.00685 -0.00122 52 3PX 0.00071 0.00090 -0.00163 -0.00279 0.00389 53 3PY 0.00298 -0.00001 0.00172 -0.00600 0.00151 54 3PZ 0.00133 -0.00065 0.00084 -0.00012 -0.00089 55 4XX 0.00009 -0.00002 0.00010 -0.00007 -0.00001 56 4YY 0.00022 0.00010 0.00006 -0.00005 0.00008 57 4ZZ 0.00023 0.00003 0.00003 -0.00041 0.00013 58 4XY -0.00010 0.00003 -0.00004 0.00007 -0.00006 59 4XZ -0.00015 0.00008 -0.00014 0.00000 -0.00020 60 4YZ -0.00009 0.00003 0.00007 -0.00009 0.00003 61 5 H 1S -0.00007 -0.00007 0.00001 0.00130 0.00063 62 2S 0.00056 -0.00001 0.00019 0.00490 0.00388 63 6 H 1S -0.00001 -0.00038 -0.00033 0.00012 0.00017 64 2S -0.00052 0.00114 0.00034 -0.00080 0.00121 65 7 H 1S 0.00001 -0.00038 0.00033 0.00012 -0.00017 66 2S 0.00052 0.00114 -0.00034 -0.00080 -0.00121 67 8 H 1S 0.00007 -0.00007 -0.00001 0.00130 -0.00063 68 2S -0.00056 -0.00001 -0.00019 0.00490 -0.00388 69 9 C 1S 0.00000 0.00248 0.00000 -0.00183 0.00000 70 2S 0.00000 -0.00019 0.00000 0.00443 0.00000 71 2PX 0.00000 -0.00010 0.00000 -0.00112 0.00000 72 2PY 0.00030 0.00000 0.00014 0.00000 -0.00120 73 2PZ 0.00000 -0.00004 0.00000 -0.00136 0.00000 74 3S 0.00000 0.00078 0.00000 -0.00714 0.00000 75 3PX 0.00000 0.00109 0.00000 0.00113 0.00000 76 3PY 0.00107 0.00000 0.00027 0.00000 0.00372 77 3PZ 0.00000 -0.00047 0.00000 0.00392 0.00000 78 4XX 0.00000 0.00001 0.00000 0.00025 0.00000 79 4YY 0.00000 -0.00003 0.00000 0.00005 0.00000 80 4ZZ 0.00000 0.00007 0.00000 0.00012 0.00000 81 4XY 0.00002 0.00000 0.00002 0.00000 -0.00004 82 4XZ 0.00000 -0.00010 0.00000 0.00018 0.00000 83 4YZ -0.00007 0.00000 0.00003 0.00000 -0.00010 84 10 H 1S 0.00000 0.00002 0.00000 0.00238 0.00000 85 2S 0.00000 0.00071 0.00000 -0.00008 0.00000 86 11 H 1S 0.00000 -0.00019 0.00000 0.00048 0.00000 87 2S 0.00000 -0.00010 0.00000 -0.00089 0.00000 88 12 C 1S -0.70221 0.00253 -0.00024 -0.01775 0.01153 89 2S -0.03684 0.00006 -0.00010 0.03551 -0.02225 90 2PX -0.00004 -0.00021 0.00021 -0.01536 0.01148 91 2PY 0.00025 0.00004 -0.00001 0.00872 -0.01797 92 2PZ -0.00044 -0.00003 -0.00004 0.00835 -0.00632 93 3S 0.02877 -0.00060 0.00154 0.00706 0.02948 94 3PX -0.00366 0.00113 -0.00302 0.00694 -0.00414 95 3PY -0.00485 -0.00036 0.00113 0.01021 -0.02638 96 3PZ 0.00556 -0.00027 0.00172 -0.00724 0.00841 97 4XX 0.00618 -0.00012 0.00007 0.00121 -0.00160 98 4YY 0.00574 -0.00009 0.00002 0.00242 -0.00133 99 4ZZ 0.00597 -0.00015 0.00002 0.00000 0.00002 100 4XY -0.00001 0.00007 0.00001 -0.00317 0.00351 101 4XZ 0.00003 0.00006 -0.00005 -0.00197 0.00195 102 4YZ -0.00004 -0.00005 0.00007 0.00133 -0.00182 103 13 C 1S 0.70278 0.00253 0.00024 -0.01775 -0.01153 104 2S 0.03687 0.00006 0.00010 0.03550 0.02226 105 2PX 0.00004 -0.00021 -0.00021 -0.01536 -0.01149 106 2PY 0.00025 -0.00004 -0.00001 -0.00871 -0.01797 107 2PZ 0.00044 -0.00003 0.00004 0.00834 0.00632 108 3S -0.02878 -0.00060 -0.00154 0.00707 -0.02948 109 3PX 0.00366 0.00113 0.00302 0.00694 0.00414 110 3PY -0.00484 0.00036 0.00113 -0.01020 -0.02638 111 3PZ -0.00556 -0.00027 -0.00172 -0.00724 -0.00841 112 4XX -0.00619 -0.00012 -0.00007 0.00121 0.00160 113 4YY -0.00575 -0.00009 -0.00002 0.00242 0.00133 114 4ZZ -0.00597 -0.00015 -0.00002 0.00000 -0.00002 115 4XY -0.00001 -0.00007 0.00001 0.00317 0.00351 116 4XZ -0.00003 0.00006 0.00005 -0.00197 -0.00195 117 4YZ -0.00004 0.00005 0.00007 -0.00133 -0.00182 118 14 C 1S -0.00163 -0.00002 -0.00002 -0.08684 -0.08497 119 2S -0.00067 -0.00017 -0.00025 0.16770 0.16224 120 2PX 0.00001 0.00004 0.00002 -0.01154 -0.01158 121 2PY -0.00003 -0.00001 0.00001 -0.11742 -0.12523 122 2PZ 0.00009 0.00000 -0.00002 -0.00756 -0.00792 123 3S 0.00898 0.00123 0.00331 0.05847 0.05171 124 3PX 0.00380 0.00038 0.00143 0.00503 0.00442 125 3PY 0.00608 0.00091 0.00133 0.04310 0.05924 126 3PZ -0.00155 -0.00040 -0.00089 0.00212 0.00405 127 4XX -0.00017 -0.00002 -0.00001 -0.01293 -0.01339 128 4YY -0.00015 -0.00001 0.00003 0.01478 0.01344 129 4ZZ -0.00025 -0.00002 -0.00005 -0.01345 -0.01381 130 4XY -0.00004 0.00003 0.00005 0.00286 0.00285 131 4XZ 0.00010 -0.00005 -0.00006 -0.00051 -0.00024 132 4YZ 0.00011 -0.00002 -0.00002 0.00230 0.00222 133 15 C 1S 0.00005 -0.00004 -0.00001 -0.01932 -0.01206 134 2S 0.00020 0.00005 0.00008 0.03820 0.02277 135 2PX -0.00005 0.00000 -0.00001 0.01373 0.01001 136 2PY 0.00005 0.00005 0.00001 -0.00872 -0.01945 137 2PZ 0.00005 0.00001 0.00000 -0.01172 -0.00861 138 3S -0.00591 -0.00018 -0.00156 0.01512 -0.03092 139 3PX -0.00182 -0.00021 -0.00044 -0.00875 -0.00878 140 3PY -0.00389 -0.00022 -0.00127 -0.01374 -0.02907 141 3PZ 0.00106 0.00015 0.00031 0.00592 0.00429 142 4XX 0.00002 0.00001 0.00000 0.00075 0.00093 143 4YY 0.00000 0.00002 -0.00001 0.00246 0.00160 144 4ZZ 0.00004 0.00001 0.00001 0.00004 0.00032 145 4XY 0.00001 0.00000 0.00000 -0.00243 -0.00305 146 4XZ 0.00002 0.00001 0.00001 -0.00231 -0.00232 147 4YZ 0.00003 -0.00001 0.00001 0.00213 0.00254 148 16 C 1S -0.00005 -0.00004 0.00001 -0.01933 0.01206 149 2S -0.00020 0.00005 -0.00008 0.03821 -0.02277 150 2PX 0.00005 0.00000 0.00001 0.01374 -0.01001 151 2PY 0.00005 -0.00005 0.00001 0.00873 -0.01945 152 2PZ -0.00005 0.00001 0.00000 -0.01172 0.00860 153 3S 0.00591 -0.00018 0.00156 0.01512 0.03092 154 3PX 0.00182 -0.00021 0.00044 -0.00875 0.00878 155 3PY -0.00389 0.00022 -0.00127 0.01374 -0.02907 156 3PZ -0.00106 0.00015 -0.00031 0.00592 -0.00429 157 4XX -0.00002 0.00001 0.00000 0.00075 -0.00093 158 4YY 0.00000 0.00002 0.00001 0.00246 -0.00160 159 4ZZ -0.00004 0.00001 -0.00001 0.00004 -0.00032 160 4XY 0.00001 0.00000 0.00000 0.00243 -0.00305 161 4XZ -0.00002 0.00001 -0.00001 -0.00231 0.00232 162 4YZ 0.00003 0.00001 0.00001 -0.00213 0.00254 163 17 C 1S 0.00163 -0.00002 0.00002 -0.08685 0.08496 164 2S 0.00067 -0.00017 0.00025 0.16773 -0.16221 165 2PX -0.00001 0.00004 -0.00002 -0.01154 0.01158 166 2PY -0.00003 0.00001 0.00001 0.11745 -0.12521 167 2PZ -0.00009 0.00000 0.00002 -0.00756 0.00792 168 3S -0.00897 0.00123 -0.00331 0.05848 -0.05170 169 3PX -0.00380 0.00038 -0.00143 0.00503 -0.00442 170 3PY 0.00607 -0.00091 0.00133 -0.04311 0.05924 171 3PZ 0.00155 -0.00040 0.00089 0.00212 -0.00405 172 4XX 0.00017 -0.00002 0.00001 -0.01293 0.01339 173 4YY 0.00015 -0.00001 -0.00003 0.01478 -0.01344 174 4ZZ 0.00025 -0.00002 0.00005 -0.01346 0.01381 175 4XY -0.00004 -0.00003 0.00005 -0.00286 0.00285 176 4XZ -0.00010 -0.00005 0.00006 -0.00051 0.00024 177 4YZ 0.00011 0.00002 -0.00002 -0.00230 0.00222 178 18 H 1S 0.00003 -0.00015 0.00031 0.00614 -0.00517 179 2S -0.00039 0.00001 0.00031 -0.00390 0.00278 180 19 H 1S -0.00003 -0.00015 -0.00031 0.00614 0.00517 181 2S 0.00039 0.00001 -0.00031 -0.00390 -0.00278 182 20 H 1S -0.00015 -0.00003 -0.00005 0.00624 0.00524 183 2S -0.00083 -0.00009 -0.00027 -0.00678 -0.00367 184 21 H 1S 0.00015 -0.00003 0.00005 0.00624 -0.00524 185 2S 0.00083 -0.00009 0.00027 -0.00679 0.00367 186 22 O 1S 0.00008 -0.00002 0.00001 -0.13490 0.13755 187 2S 0.00036 -0.00007 0.00003 0.29007 -0.29280 188 2PX -0.00004 0.00000 -0.00001 0.00985 -0.00995 189 2PY -0.00001 0.00000 0.00000 -0.11109 0.11239 190 2PZ 0.00001 -0.00002 0.00001 0.00815 -0.00823 191 3S -0.00256 0.00049 -0.00018 0.29527 -0.31630 192 3PX 0.00050 -0.00002 0.00016 0.00383 -0.00480 193 3PY 0.00038 -0.00007 -0.00008 -0.04462 0.04959 194 3PZ -0.00033 0.00011 -0.00013 0.00354 -0.00388 195 4XX 0.00018 -0.00005 0.00001 -0.00773 0.00903 196 4YY 0.00018 -0.00005 0.00005 0.00643 -0.00597 197 4ZZ 0.00021 -0.00004 0.00002 -0.00669 0.00794 198 4XY -0.00006 0.00000 -0.00002 -0.00128 0.00144 199 4XZ 0.00003 0.00000 0.00001 0.00175 -0.00189 200 4YZ 0.00006 -0.00001 0.00002 -0.00099 0.00104 201 23 O 1S -0.00008 -0.00002 -0.00001 -0.13487 -0.13758 202 2S -0.00037 -0.00007 -0.00003 0.29002 0.29286 203 2PX 0.00004 0.00000 0.00001 0.00985 0.00996 204 2PY -0.00001 0.00000 0.00000 0.11107 0.11240 205 2PZ -0.00001 -0.00002 -0.00001 0.00815 0.00823 206 3S 0.00257 0.00049 0.00018 0.29521 0.31635 207 3PX -0.00050 -0.00002 -0.00016 0.00383 0.00480 208 3PY 0.00038 0.00007 -0.00008 0.04462 0.04960 209 3PZ 0.00033 0.00011 0.00013 0.00354 0.00388 210 4XX -0.00019 -0.00005 -0.00001 -0.00773 -0.00903 211 4YY -0.00018 -0.00005 -0.00005 0.00643 0.00597 212 4ZZ -0.00021 -0.00004 -0.00002 -0.00669 -0.00794 213 4XY -0.00006 0.00000 -0.00002 0.00128 0.00144 214 4XZ -0.00003 0.00000 -0.00001 0.00175 0.00189 215 4YZ 0.00006 0.00001 0.00002 0.00099 0.00104 16 17 18 19 20 O O O O O Eigenvalues -- -0.88725 -0.83576 -0.76865 -0.72794 -0.72487 1 1 C 1S -0.09531 0.02030 0.00690 -0.03064 0.12312 2 2S 0.17690 -0.03849 -0.01436 0.06069 -0.24187 3 2PX 0.03116 -0.02120 -0.02693 -0.07236 -0.04415 4 2PY 0.06963 -0.01620 -0.00973 0.03146 0.01484 5 2PZ -0.00729 0.00024 -0.00339 0.09749 0.02327 6 3S 0.13474 -0.02581 -0.00442 0.04720 -0.22803 7 3PX 0.00284 -0.00080 -0.00538 -0.01254 -0.00825 8 3PY 0.02163 -0.00208 0.00048 -0.00126 -0.00022 9 3PZ -0.00420 0.00012 -0.00133 0.01852 0.00490 10 4XX -0.00450 0.00134 0.00020 -0.00675 0.00377 11 4YY 0.00519 -0.00118 -0.00074 0.00635 0.00170 12 4ZZ -0.00487 0.00120 0.00069 -0.00037 0.00534 13 4XY 0.00334 -0.00177 -0.00199 -0.00595 -0.00357 14 4XZ -0.00600 0.00218 0.00243 0.00190 0.00640 15 4YZ 0.00024 -0.00004 -0.00021 0.00957 0.00246 16 2 C 1S -0.09695 0.03127 0.02817 0.10494 0.07600 17 2S 0.18461 -0.05968 -0.05500 -0.20747 -0.15288 18 2PX -0.05242 0.01046 -0.00041 -0.01886 0.05473 19 2PY 0.04736 -0.01636 -0.01730 -0.06508 0.08723 20 2PZ 0.03923 -0.01165 -0.00833 0.03088 -0.03780 21 3S 0.10644 -0.04111 -0.04043 -0.16694 -0.09649 22 3PX -0.00060 0.00140 -0.00036 -0.00738 -0.00738 23 3PY 0.00231 -0.00169 -0.00306 -0.00476 0.02850 24 3PZ -0.00033 -0.00185 -0.00257 0.01179 0.00923 25 4XX -0.00212 0.00146 0.00220 0.00659 -0.00253 26 4YY 0.00263 -0.00103 -0.00133 -0.00618 0.00875 27 4ZZ -0.00454 0.00152 0.00135 0.00816 0.00035 28 4XY -0.00220 0.00065 0.00058 0.00242 -0.00304 29 4XZ -0.00828 0.00261 0.00218 0.00255 0.00863 30 4YZ 0.00215 -0.00074 -0.00086 -0.00205 0.00137 31 3 C 1S -0.09695 0.03127 0.02817 0.10494 -0.07600 32 2S 0.18461 -0.05968 -0.05500 -0.20747 0.15288 33 2PX -0.05242 0.01046 -0.00041 -0.01886 -0.05474 34 2PY -0.04736 0.01636 0.01730 0.06508 0.08723 35 2PZ 0.03923 -0.01165 -0.00833 0.03088 0.03780 36 3S 0.10644 -0.04111 -0.04043 -0.16694 0.09649 37 3PX -0.00060 0.00140 -0.00036 -0.00738 0.00738 38 3PY -0.00231 0.00169 0.00306 0.00476 0.02850 39 3PZ -0.00033 -0.00185 -0.00257 0.01179 -0.00923 40 4XX -0.00212 0.00146 0.00220 0.00659 0.00253 41 4YY 0.00263 -0.00103 -0.00133 -0.00618 -0.00875 42 4ZZ -0.00454 0.00152 0.00135 0.00816 -0.00035 43 4XY 0.00220 -0.00065 -0.00058 -0.00242 -0.00304 44 4XZ -0.00828 0.00261 0.00218 0.00255 -0.00863 45 4YZ -0.00215 0.00074 0.00086 0.00205 0.00137 46 4 C 1S -0.09531 0.02030 0.00690 -0.03064 -0.12312 47 2S 0.17691 -0.03849 -0.01436 0.06068 0.24187 48 2PX 0.03116 -0.02120 -0.02693 -0.07236 0.04414 49 2PY -0.06963 0.01620 0.00973 -0.03146 0.01484 50 2PZ -0.00729 0.00024 -0.00339 0.09749 -0.02327 51 3S 0.13474 -0.02581 -0.00442 0.04720 0.22803 52 3PX 0.00284 -0.00080 -0.00538 -0.01254 0.00825 53 3PY -0.02163 0.00208 -0.00048 0.00126 -0.00022 54 3PZ -0.00420 0.00012 -0.00133 0.01852 -0.00490 55 4XX -0.00450 0.00134 0.00020 -0.00675 -0.00377 56 4YY 0.00519 -0.00118 -0.00074 0.00635 -0.00170 57 4ZZ -0.00487 0.00120 0.00069 -0.00037 -0.00534 58 4XY -0.00334 0.00177 0.00199 0.00595 -0.00357 59 4XZ -0.00600 0.00218 0.00243 0.00190 -0.00640 60 4YZ -0.00024 0.00004 0.00021 -0.00957 0.00246 61 5 H 1S 0.03219 -0.00597 0.00023 0.02264 -0.08592 62 2S 0.00458 -0.00077 0.00046 0.00324 -0.02110 63 6 H 1S 0.03121 -0.01192 -0.01375 -0.06924 -0.05144 64 2S -0.00141 -0.00104 -0.00297 -0.01568 -0.00601 65 7 H 1S 0.03121 -0.01192 -0.01375 -0.06924 0.05144 66 2S -0.00141 -0.00104 -0.00297 -0.01568 0.00601 67 8 H 1S 0.03219 -0.00597 0.00023 0.02264 0.08592 68 2S 0.00458 -0.00077 0.00046 0.00324 0.02110 69 9 C 1S -0.09365 0.01689 0.00682 -0.14600 0.00000 70 2S 0.17451 -0.03166 -0.01186 0.28453 0.00000 71 2PX 0.03568 -0.01925 -0.01556 -0.00470 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.10631 73 2PZ -0.05666 0.00869 -0.00175 0.01103 0.00000 74 3S 0.11671 -0.02176 -0.01581 0.27016 0.00000 75 3PX 0.00746 -0.00813 -0.00691 -0.00603 0.00000 76 3PY 0.00000 0.00000 0.00000 0.00000 0.01977 77 3PZ -0.00060 0.00362 -0.00015 0.00503 0.00000 78 4XX -0.00089 0.00050 -0.00029 0.00114 0.00000 79 4YY -0.00160 0.00007 0.00030 -0.00447 0.00000 80 4ZZ 0.00231 -0.00059 0.00024 -0.00172 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00599 82 4XZ -0.00507 0.00211 0.00145 0.00161 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01088 84 10 H 1S 0.03725 0.00210 -0.00073 0.10141 0.00000 85 2S 0.00124 -0.00259 -0.00133 0.02187 0.00000 86 11 H 1S 0.04338 -0.01105 -0.00766 0.09909 0.00000 87 2S -0.00133 -0.00167 -0.00003 0.02490 0.00000 88 12 C 1S -0.03485 -0.07666 -0.11864 0.01720 -0.03680 89 2S 0.06605 0.14438 0.22871 -0.03513 0.06799 90 2PX 0.00549 -0.03796 -0.01049 0.00265 -0.00353 91 2PY -0.01720 -0.03926 -0.06057 0.00889 0.04137 92 2PZ 0.01064 0.01635 -0.00876 0.01423 0.01173 93 3S 0.04477 0.10421 0.19340 -0.02393 0.09438 94 3PX -0.00040 -0.00345 -0.00067 -0.00160 0.00005 95 3PY -0.00220 -0.00448 -0.00283 0.00036 -0.00337 96 3PZ 0.00258 0.00449 0.00064 0.00733 0.01120 97 4XX -0.00089 -0.00302 -0.00777 -0.00004 0.00058 98 4YY 0.00070 0.00153 0.00518 -0.00120 -0.00436 99 4ZZ -0.00115 -0.00429 -0.00587 0.00182 -0.00015 100 4XY -0.00011 0.00065 0.00029 -0.00033 -0.00009 101 4XZ -0.00065 -0.00518 -0.00451 0.00170 -0.00200 102 4YZ -0.00088 -0.00113 -0.00212 0.00018 0.00008 103 13 C 1S -0.03485 -0.07666 -0.11864 0.01720 0.03680 104 2S 0.06605 0.14438 0.22871 -0.03513 -0.06799 105 2PX 0.00549 -0.03796 -0.01048 0.00265 0.00353 106 2PY 0.01720 0.03926 0.06057 -0.00890 0.04137 107 2PZ 0.01064 0.01635 -0.00876 0.01423 -0.01173 108 3S 0.04477 0.10420 0.19340 -0.02393 -0.09438 109 3PX -0.00040 -0.00345 -0.00067 -0.00160 -0.00005 110 3PY 0.00220 0.00448 0.00283 -0.00036 -0.00337 111 3PZ 0.00258 0.00449 0.00064 0.00733 -0.01120 112 4XX -0.00089 -0.00302 -0.00777 -0.00004 -0.00058 113 4YY 0.00070 0.00153 0.00518 -0.00120 0.00436 114 4ZZ -0.00115 -0.00429 -0.00587 0.00182 0.00015 115 4XY 0.00011 -0.00065 -0.00029 0.00033 -0.00009 116 4XZ -0.00065 -0.00518 -0.00451 0.00170 0.00201 117 4YZ 0.00088 0.00113 0.00212 -0.00018 0.00008 118 14 C 1S -0.00832 -0.04874 -0.00986 0.00378 0.02565 119 2S 0.01648 0.09553 0.02111 -0.00810 -0.05471 120 2PX 0.01122 -0.00288 0.08833 -0.00283 -0.02489 121 2PY 0.03066 0.12629 0.01724 -0.00755 -0.04647 122 2PZ -0.00077 0.01459 -0.06085 0.00891 0.00392 123 3S 0.00867 0.06341 0.01072 -0.00495 -0.03483 124 3PX 0.00113 0.00063 0.00503 -0.00040 -0.00002 125 3PY 0.00281 0.03399 -0.00137 -0.00718 0.00458 126 3PZ 0.00092 0.00336 -0.00464 0.00362 -0.00047 127 4XX 0.00190 0.00391 0.00065 -0.00005 -0.00254 128 4YY -0.00168 -0.00573 -0.00104 0.00016 0.00433 129 4ZZ 0.00039 0.00014 -0.00055 0.00005 -0.00014 130 4XY 0.00059 -0.00211 0.00807 -0.00032 -0.00034 131 4XZ -0.00132 -0.00711 -0.00061 0.00110 0.00255 132 4YZ -0.00040 0.00064 -0.00586 0.00067 0.00058 133 15 C 1S -0.01279 -0.11207 0.10251 -0.00041 0.01307 134 2S 0.02328 0.21580 -0.20135 -0.00062 -0.02471 135 2PX 0.00634 0.02979 0.01540 -0.00025 -0.01137 136 2PY 0.00778 0.06609 -0.06480 -0.00008 0.01525 137 2PZ -0.00377 -0.02218 -0.01014 0.00382 0.00751 138 3S 0.01687 0.14606 -0.15920 0.00353 -0.04011 139 3PX 0.00273 0.00295 0.00602 0.00239 -0.00694 140 3PY 0.00172 0.00509 0.00086 0.00106 -0.00995 141 3PZ -0.00054 -0.00075 -0.00475 0.00144 0.00261 142 4XX -0.00025 -0.00388 0.00589 0.00003 -0.00105 143 4YY 0.00002 0.00380 -0.00577 -0.00019 0.00165 144 4ZZ -0.00109 -0.00740 0.00746 -0.00048 0.00030 145 4XY 0.00024 0.00156 -0.00157 0.00010 0.00071 146 4XZ -0.00089 -0.00661 0.00331 0.00041 0.00185 147 4YZ -0.00015 -0.00110 0.00104 0.00008 -0.00040 148 16 C 1S -0.01279 -0.11207 0.10251 -0.00041 -0.01307 149 2S 0.02328 0.21580 -0.20135 -0.00062 0.02471 150 2PX 0.00634 0.02979 0.01540 -0.00025 0.01137 151 2PY -0.00778 -0.06609 0.06480 0.00008 0.01525 152 2PZ -0.00377 -0.02218 -0.01014 0.00382 -0.00751 153 3S 0.01687 0.14606 -0.15920 0.00353 0.04011 154 3PX 0.00273 0.00295 0.00602 0.00239 0.00694 155 3PY -0.00172 -0.00509 -0.00086 -0.00106 -0.00995 156 3PZ -0.00054 -0.00075 -0.00475 0.00144 -0.00261 157 4XX -0.00025 -0.00388 0.00589 0.00003 0.00105 158 4YY 0.00002 0.00380 -0.00577 -0.00019 -0.00165 159 4ZZ -0.00109 -0.00740 0.00746 -0.00048 -0.00030 160 4XY -0.00024 -0.00156 0.00157 -0.00010 0.00071 161 4XZ -0.00089 -0.00661 0.00331 0.00041 -0.00185 162 4YZ 0.00015 0.00110 -0.00104 -0.00008 -0.00040 163 17 C 1S -0.00832 -0.04874 -0.00986 0.00378 -0.02565 164 2S 0.01648 0.09553 0.02111 -0.00810 0.05471 165 2PX 0.01122 -0.00288 0.08833 -0.00283 0.02489 166 2PY -0.03066 -0.12629 -0.01725 0.00755 -0.04647 167 2PZ -0.00077 0.01459 -0.06085 0.00891 -0.00392 168 3S 0.00867 0.06341 0.01072 -0.00495 0.03482 169 3PX 0.00113 0.00063 0.00503 -0.00040 0.00002 170 3PY -0.00281 -0.03399 0.00137 0.00718 0.00459 171 3PZ 0.00092 0.00336 -0.00464 0.00362 0.00047 172 4XX 0.00190 0.00391 0.00065 -0.00005 0.00254 173 4YY -0.00168 -0.00573 -0.00104 0.00016 -0.00433 174 4ZZ 0.00039 0.00014 -0.00055 0.00005 0.00014 175 4XY -0.00059 0.00211 -0.00807 0.00032 -0.00034 176 4XZ -0.00132 -0.00711 -0.00061 0.00110 -0.00255 177 4YZ 0.00040 -0.00064 0.00586 -0.00067 0.00058 178 18 H 1S 0.01611 0.02868 0.06521 -0.01500 0.02998 179 2S 0.00142 0.00183 0.01038 -0.00336 0.00995 180 19 H 1S 0.01611 0.02868 0.06521 -0.01500 -0.02998 181 2S 0.00142 0.00183 0.01038 -0.00336 -0.00995 182 20 H 1S 0.00391 0.04498 -0.05912 0.00091 -0.00778 183 2S 0.00040 0.00254 -0.00826 0.00047 -0.00369 184 21 H 1S 0.00391 0.04498 -0.05912 0.00091 0.00778 185 2S 0.00040 0.00254 -0.00826 0.00047 0.00369 186 22 O 1S 0.01357 0.04501 0.00592 -0.00184 0.02034 187 2S -0.03045 -0.10328 -0.01268 0.00520 -0.04487 188 2PX 0.00111 -0.00396 0.01933 -0.00021 0.00704 189 2PY 0.00665 0.01298 0.00057 0.00072 -0.00332 190 2PZ -0.00085 0.00022 -0.01394 0.00286 -0.00152 191 3S -0.02910 -0.09012 -0.01735 -0.00029 -0.06053 192 3PX 0.00067 -0.00067 0.00790 -0.00015 0.00443 193 3PY 0.00133 -0.00266 0.00016 0.00211 -0.00137 194 3PZ -0.00045 0.00009 -0.00572 0.00065 -0.00074 195 4XX 0.00042 0.00016 0.00071 0.00040 0.00108 196 4YY -0.00011 0.00071 0.00045 0.00007 0.00180 197 4ZZ 0.00021 0.00000 0.00011 0.00041 0.00047 198 4XY -0.00022 0.00027 -0.00244 0.00005 -0.00101 199 4XZ -0.00009 -0.00044 -0.00006 0.00012 -0.00025 200 4YZ 0.00009 -0.00015 0.00173 -0.00025 0.00007 201 23 O 1S 0.01357 0.04501 0.00592 -0.00184 -0.02034 202 2S -0.03045 -0.10328 -0.01268 0.00520 0.04487 203 2PX 0.00111 -0.00396 0.01933 -0.00021 -0.00704 204 2PY -0.00665 -0.01298 -0.00057 -0.00072 -0.00332 205 2PZ -0.00085 0.00022 -0.01394 0.00286 0.00152 206 3S -0.02910 -0.09012 -0.01735 -0.00029 0.06053 207 3PX 0.00067 -0.00067 0.00790 -0.00015 -0.00443 208 3PY -0.00133 0.00266 -0.00016 -0.00211 -0.00137 209 3PZ -0.00045 0.00009 -0.00572 0.00065 0.00074 210 4XX 0.00042 0.00016 0.00071 0.00040 -0.00108 211 4YY -0.00011 0.00071 0.00045 0.00007 -0.00180 212 4ZZ 0.00021 0.00000 0.00011 0.00041 -0.00047 213 4XY 0.00022 -0.00027 0.00244 -0.00005 -0.00101 214 4XZ -0.00009 -0.00044 -0.00006 0.00012 0.00025 215 4YZ -0.00009 0.00015 -0.00173 0.00025 0.00007 21 22 23 24 25 O O O O O Eigenvalues -- -0.68782 -0.62359 -0.58754 -0.57409 -0.54806 1 1 C 1S 0.03906 -0.01392 0.04060 0.08144 0.06101 2 2S -0.07846 0.03143 -0.08136 -0.16768 -0.12553 3 2PX -0.03332 0.03253 -0.00187 -0.02783 0.11126 4 2PY 0.00412 0.00190 0.03331 0.09987 0.04943 5 2PZ 0.00511 0.00143 0.03128 0.03525 -0.12771 6 3S -0.07055 0.02118 -0.08882 -0.16927 -0.12932 7 3PX -0.00648 0.01287 0.00397 0.00181 0.03752 8 3PY 0.00051 -0.00326 0.00574 0.04223 0.02524 9 3PZ -0.00104 0.00379 0.01142 0.00639 -0.04054 10 4XX 0.00174 -0.00001 0.00424 0.00505 0.01021 11 4YY 0.00020 0.00021 -0.00143 -0.00353 -0.00785 12 4ZZ 0.00172 -0.00067 0.00331 0.00915 0.00446 13 4XY -0.00112 0.00052 -0.00033 -0.00312 -0.00022 14 4XZ 0.00323 -0.00282 -0.00114 0.00051 -0.00361 15 4YZ 0.00093 -0.00049 0.00395 0.00671 -0.00017 16 2 C 1S 0.03141 -0.02075 -0.02845 -0.03159 -0.09168 17 2S -0.06295 0.04313 0.05902 0.06408 0.18870 18 2PX 0.01709 -0.00366 0.07281 0.09980 0.04653 19 2PY 0.03699 -0.02574 0.05540 0.10828 -0.12073 20 2PZ -0.01491 0.00836 -0.03726 -0.08018 -0.05585 21 3S -0.05014 0.03510 0.05649 0.06211 0.18110 22 3PX -0.00127 0.00374 0.02284 0.03168 0.02683 23 3PY 0.01031 -0.00810 0.01308 0.02571 -0.04930 24 3PZ 0.00037 -0.00048 -0.00829 -0.02696 -0.03052 25 4XX -0.00050 -0.00016 -0.00459 -0.00547 -0.00134 26 4YY 0.00333 -0.00193 0.00324 0.00377 -0.00772 27 4ZZ 0.00006 0.00015 -0.00134 -0.00255 -0.00242 28 4XY -0.00069 -0.00037 -0.00160 -0.00386 -0.00765 29 4XZ 0.00358 -0.00230 -0.00043 0.00217 -0.00574 30 4YZ 0.00044 0.00004 0.00222 0.00319 0.00841 31 3 C 1S -0.03141 0.02075 -0.02845 -0.03159 0.09168 32 2S 0.06295 -0.04313 0.05902 0.06408 -0.18870 33 2PX -0.01709 0.00365 0.07281 0.09980 -0.04653 34 2PY 0.03699 -0.02574 -0.05540 -0.10828 -0.12073 35 2PZ 0.01491 -0.00836 -0.03726 -0.08018 0.05585 36 3S 0.05014 -0.03510 0.05649 0.06211 -0.18110 37 3PX 0.00127 -0.00374 0.02284 0.03168 -0.02683 38 3PY 0.01031 -0.00810 -0.01308 -0.02571 -0.04930 39 3PZ -0.00037 0.00048 -0.00829 -0.02696 0.03052 40 4XX 0.00050 0.00016 -0.00459 -0.00547 0.00134 41 4YY -0.00333 0.00193 0.00324 0.00377 0.00772 42 4ZZ -0.00006 -0.00015 -0.00134 -0.00255 0.00242 43 4XY -0.00069 -0.00037 0.00160 0.00386 -0.00765 44 4XZ -0.00358 0.00230 -0.00043 0.00217 0.00574 45 4YZ 0.00044 0.00004 -0.00222 -0.00319 0.00841 46 4 C 1S -0.03906 0.01392 0.04060 0.08144 -0.06101 47 2S 0.07846 -0.03143 -0.08136 -0.16768 0.12553 48 2PX 0.03332 -0.03253 -0.00187 -0.02783 -0.11126 49 2PY 0.00412 0.00190 -0.03331 -0.09987 0.04943 50 2PZ -0.00511 -0.00143 0.03128 0.03525 0.12770 51 3S 0.07055 -0.02118 -0.08882 -0.16927 0.12932 52 3PX 0.00648 -0.01287 0.00397 0.00181 -0.03752 53 3PY 0.00051 -0.00326 -0.00574 -0.04223 0.02524 54 3PZ 0.00104 -0.00379 0.01143 0.00639 0.04054 55 4XX -0.00174 0.00001 0.00424 0.00505 -0.01021 56 4YY -0.00020 -0.00021 -0.00143 -0.00353 0.00785 57 4ZZ -0.00172 0.00067 0.00331 0.00915 -0.00446 58 4XY -0.00112 0.00052 0.00033 0.00312 -0.00022 59 4XZ -0.00323 0.00282 -0.00114 0.00051 0.00361 60 4YZ 0.00093 -0.00049 -0.00395 -0.00671 -0.00017 61 5 H 1S -0.02655 0.00758 -0.04560 -0.11120 -0.10412 62 2S -0.00985 -0.00009 -0.02374 -0.04682 -0.05135 63 6 H 1S -0.02419 0.02056 0.03944 0.04727 0.15029 64 2S -0.00548 0.00626 0.01868 0.02168 0.07513 65 7 H 1S 0.02419 -0.02056 0.03944 0.04727 -0.15029 66 2S 0.00548 -0.00626 0.01868 0.02168 -0.07513 67 8 H 1S 0.02655 -0.00758 -0.04560 -0.11120 0.10412 68 2S 0.00985 0.00009 -0.02374 -0.04682 0.05135 69 9 C 1S 0.00000 0.00000 -0.03996 -0.07895 0.00000 70 2S 0.00000 0.00000 0.07908 0.15923 0.00000 71 2PX 0.00000 0.00000 -0.02131 -0.03878 0.00000 72 2PY 0.03188 -0.01224 0.00000 0.00000 0.17104 73 2PZ 0.00000 0.00000 0.06655 0.11136 0.00000 74 3S 0.00000 0.00000 0.09869 0.17497 0.00000 75 3PX 0.00000 0.00000 -0.00567 -0.01699 0.00000 76 3PY 0.00404 -0.00571 0.00000 0.00000 0.06344 77 3PZ 0.00000 0.00000 0.02111 0.04308 0.00000 78 4XX 0.00000 0.00000 0.00494 0.00704 0.00000 79 4YY 0.00000 0.00000 -0.00631 -0.01342 0.00000 80 4ZZ 0.00000 0.00000 -0.00140 -0.00057 0.00000 81 4XY 0.00308 -0.00160 0.00000 0.00000 0.00285 82 4XZ 0.00000 0.00000 0.00197 0.00376 0.00000 83 4YZ -0.00297 0.00105 0.00000 0.00000 -0.00870 84 10 H 1S 0.00000 0.00000 0.05629 0.10010 0.00000 85 2S 0.00000 0.00000 0.02607 0.04510 0.00000 86 11 H 1S 0.00000 0.00000 0.05177 0.09749 0.00000 87 2S 0.00000 0.00000 0.02253 0.04617 0.00000 88 12 C 1S 0.06346 -0.08311 0.03483 -0.02849 0.01024 89 2S -0.12423 0.16590 -0.07032 0.05942 -0.02412 90 2PX 0.05438 -0.01844 -0.12097 0.04212 0.00786 91 2PY -0.07289 0.10940 0.05973 -0.06698 -0.01449 92 2PZ -0.02188 -0.01328 0.08978 -0.06660 0.01762 93 3S -0.13154 0.18075 -0.07874 0.05219 -0.00283 94 3PX 0.00751 -0.01181 -0.03929 0.01206 -0.00311 95 3PY -0.00112 0.04417 0.00775 -0.01741 -0.01171 96 3PZ -0.00430 0.00065 0.02751 -0.02244 0.01467 97 4XX -0.00175 -0.00214 0.00701 -0.00557 -0.00090 98 4YY 0.00761 -0.00646 -0.00418 0.00334 0.00073 99 4ZZ 0.00001 0.00003 -0.00003 -0.00097 0.00074 100 4XY 0.00405 -0.00182 -0.00204 0.00094 0.00067 101 4XZ 0.00730 -0.00554 -0.00269 -0.00014 0.00201 102 4YZ -0.00028 -0.00308 0.00274 -0.00215 0.00187 103 13 C 1S -0.06346 0.08312 0.03483 -0.02849 -0.01024 104 2S 0.12423 -0.16590 -0.07032 0.05942 0.02412 105 2PX -0.05438 0.01844 -0.12097 0.04213 -0.00786 106 2PY -0.07289 0.10940 -0.05973 0.06698 -0.01449 107 2PZ 0.02188 0.01328 0.08978 -0.06660 -0.01762 108 3S 0.13154 -0.18075 -0.07874 0.05219 0.00283 109 3PX -0.00751 0.01181 -0.03929 0.01206 0.00311 110 3PY -0.00112 0.04417 -0.00775 0.01741 -0.01171 111 3PZ 0.00430 -0.00065 0.02751 -0.02244 -0.01467 112 4XX 0.00175 0.00214 0.00701 -0.00557 0.00090 113 4YY -0.00761 0.00646 -0.00418 0.00334 -0.00073 114 4ZZ -0.00001 -0.00003 -0.00003 -0.00097 -0.00074 115 4XY 0.00405 -0.00182 0.00204 -0.00094 0.00067 116 4XZ -0.00730 0.00554 -0.00269 -0.00014 -0.00201 117 4YZ -0.00028 -0.00308 -0.00274 0.00215 0.00187 118 14 C 1S -0.09003 0.00253 -0.07434 0.04035 -0.00610 119 2S 0.19001 -0.00615 0.16212 -0.09000 0.01415 120 2PX 0.00217 -0.16875 -0.00539 -0.00151 0.00176 121 2PY 0.14474 0.00134 0.08826 -0.04138 0.00591 122 2PZ 0.01628 0.12171 0.01423 -0.01832 -0.02143 123 3S 0.15363 0.00196 0.13370 -0.07094 0.01308 124 3PX 0.00186 -0.01475 0.00531 0.00020 -0.00110 125 3PY 0.02835 0.00570 0.03507 -0.01407 0.01475 126 3PZ 0.00448 0.01276 0.00432 -0.00597 -0.00877 127 4XX 0.00424 0.00004 -0.00449 0.00080 -0.00043 128 4YY -0.01299 0.00007 -0.00674 0.00453 -0.00030 129 4ZZ -0.00072 0.00069 -0.00480 0.00270 0.00011 130 4XY -0.00124 -0.00542 -0.00028 0.00142 0.00064 131 4XZ -0.00924 -0.00051 -0.00065 0.00015 -0.00132 132 4YZ 0.00005 0.00380 0.00013 -0.00050 0.00003 133 15 C 1S -0.07215 -0.08288 0.03723 -0.01421 0.00233 134 2S 0.14399 0.16862 -0.07678 0.02804 -0.00360 135 2PX 0.04127 -0.00364 0.13675 -0.06855 0.00207 136 2PY -0.09231 -0.11860 -0.08668 0.04613 0.00358 137 2PZ -0.03119 0.00044 -0.10026 0.05287 -0.00495 138 3S 0.14416 0.15917 -0.06971 0.02968 -0.01728 139 3PX 0.00454 -0.00217 0.04400 -0.02110 -0.00428 140 3PY -0.00773 -0.05715 -0.01628 0.00852 -0.00469 141 3PZ -0.00204 0.00102 -0.03205 0.01786 0.00058 142 4XX 0.00315 0.00021 0.00465 -0.00236 -0.00010 143 4YY -0.00720 -0.00517 -0.00465 0.00189 0.00007 144 4ZZ -0.00116 -0.00278 0.00384 -0.00167 0.00052 145 4XY -0.00227 0.00187 -0.00313 0.00189 -0.00024 146 4XZ -0.00831 -0.00621 -0.00174 0.00133 -0.00007 147 4YZ 0.00171 -0.00109 0.00245 -0.00104 0.00051 148 16 C 1S 0.07215 0.08288 0.03723 -0.01421 -0.00233 149 2S -0.14399 -0.16862 -0.07678 0.02804 0.00360 150 2PX -0.04127 0.00364 0.13675 -0.06855 -0.00207 151 2PY -0.09231 -0.11860 0.08668 -0.04613 0.00358 152 2PZ 0.03119 -0.00044 -0.10026 0.05287 0.00495 153 3S -0.14416 -0.15917 -0.06971 0.02967 0.01728 154 3PX -0.00454 0.00217 0.04400 -0.02110 0.00428 155 3PY -0.00773 -0.05715 0.01628 -0.00852 -0.00469 156 3PZ 0.00204 -0.00102 -0.03205 0.01786 -0.00058 157 4XX -0.00315 -0.00021 0.00465 -0.00236 0.00010 158 4YY 0.00720 0.00517 -0.00465 0.00189 -0.00007 159 4ZZ 0.00116 0.00278 0.00384 -0.00167 -0.00052 160 4XY -0.00227 0.00187 0.00313 -0.00189 -0.00024 161 4XZ 0.00831 0.00621 -0.00174 0.00133 0.00007 162 4YZ 0.00171 -0.00109 -0.00245 0.00104 0.00051 163 17 C 1S 0.09003 -0.00253 -0.07434 0.04035 0.00611 164 2S -0.19001 0.00615 0.16212 -0.09000 -0.01415 165 2PX -0.00217 0.16875 -0.00539 -0.00151 -0.00176 166 2PY 0.14474 0.00134 -0.08826 0.04138 0.00591 167 2PZ -0.01628 -0.12171 0.01423 -0.01832 0.02143 168 3S -0.15363 -0.00196 0.13370 -0.07094 -0.01308 169 3PX -0.00186 0.01476 0.00531 0.00020 0.00110 170 3PY 0.02835 0.00570 -0.03507 0.01407 0.01475 171 3PZ -0.00448 -0.01276 0.00432 -0.00597 0.00877 172 4XX -0.00424 -0.00004 -0.00449 0.00080 0.00043 173 4YY 0.01299 -0.00007 -0.00674 0.00453 0.00030 174 4ZZ 0.00072 -0.00069 -0.00480 0.00270 -0.00011 175 4XY -0.00124 -0.00542 0.00028 -0.00142 0.00064 176 4XZ 0.00924 0.00051 -0.00065 0.00015 0.00132 177 4YZ 0.00005 0.00380 -0.00013 0.00050 0.00003 178 18 H 1S -0.04245 0.08879 -0.07015 0.03946 -0.01975 179 2S -0.00943 0.03325 -0.03213 0.02052 -0.00980 180 19 H 1S 0.04245 -0.08879 -0.07015 0.03946 0.01975 181 2S 0.00943 -0.03325 -0.03213 0.02052 0.00980 182 20 H 1S 0.05413 0.09487 -0.07540 0.03442 -0.00505 183 2S 0.01307 0.03354 -0.03542 0.01725 -0.00483 184 21 H 1S -0.05413 -0.09487 -0.07540 0.03442 0.00505 185 2S -0.01307 -0.03354 -0.03542 0.01725 0.00483 186 22 O 1S -0.05857 -0.00018 0.03334 -0.02168 -0.00221 187 2S 0.13159 0.00100 -0.07639 0.04984 0.00605 188 2PX 0.00165 0.06196 -0.00093 -0.00624 0.00209 189 2PY 0.02837 0.00194 -0.05387 0.03450 0.00836 190 2PZ -0.00396 -0.04530 0.00661 -0.00905 0.01230 191 3S 0.16454 -0.00203 -0.09726 0.06591 0.00013 192 3PX 0.00128 0.03280 -0.00177 -0.00490 0.00152 193 3PY 0.01701 0.00130 -0.03295 0.01994 0.00674 194 3PZ -0.00143 -0.02408 0.00342 -0.00504 0.00635 195 4XX -0.00119 0.00112 -0.00079 -0.00002 0.00069 196 4YY -0.00688 -0.00012 0.00739 -0.00417 -0.00064 197 4ZZ -0.00070 -0.00044 -0.00076 0.00053 0.00054 198 4XY 0.00016 -0.00659 -0.00012 0.00074 -0.00003 199 4XZ 0.00111 0.00008 -0.00036 0.00004 0.00036 200 4YZ 0.00079 0.00482 -0.00100 0.00111 -0.00099 201 23 O 1S 0.05857 0.00018 0.03334 -0.02168 0.00221 202 2S -0.13159 -0.00100 -0.07639 0.04984 -0.00605 203 2PX -0.00165 -0.06196 -0.00093 -0.00624 -0.00209 204 2PY 0.02837 0.00194 0.05387 -0.03450 0.00836 205 2PZ 0.00396 0.04530 0.00661 -0.00905 -0.01230 206 3S -0.16454 0.00203 -0.09726 0.06591 -0.00013 207 3PX -0.00128 -0.03280 -0.00177 -0.00490 -0.00152 208 3PY 0.01701 0.00130 0.03295 -0.01994 0.00674 209 3PZ 0.00143 0.02408 0.00342 -0.00504 -0.00635 210 4XX 0.00119 -0.00112 -0.00079 -0.00002 -0.00069 211 4YY 0.00688 0.00012 0.00739 -0.00417 0.00064 212 4ZZ 0.00070 0.00044 -0.00076 0.00053 -0.00054 213 4XY 0.00016 -0.00659 0.00012 -0.00074 -0.00003 214 4XZ -0.00111 -0.00008 -0.00036 0.00004 -0.00036 215 4YZ 0.00079 0.00482 0.00100 -0.00111 -0.00099 26 27 28 29 30 O O O O O Eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46923 1 1 C 1S 0.01540 0.00161 0.00540 -0.00399 -0.00211 2 2S -0.03194 -0.00136 -0.01047 0.01124 0.00551 3 2PX 0.04957 0.01942 0.05774 0.10936 0.01327 4 2PY 0.20979 0.01431 0.00242 -0.05501 0.00205 5 2PZ -0.03121 0.00946 0.02463 0.04459 0.02429 6 3S -0.04653 -0.01827 -0.02058 -0.00488 0.01008 7 3PX 0.01420 0.00168 0.01973 0.05169 0.00349 8 3PY 0.08114 -0.00224 -0.01569 -0.03079 -0.00071 9 3PZ -0.01498 0.00261 0.01152 0.02332 0.01778 10 4XX -0.00067 0.00075 -0.00026 -0.00132 0.00099 11 4YY 0.00097 0.00027 -0.00099 -0.00154 0.00057 12 4ZZ -0.00266 -0.00118 0.00154 0.00177 -0.00136 13 4XY 0.00387 0.00202 0.00472 0.00447 -0.00013 14 4XZ 0.00166 0.00031 0.00170 0.00133 -0.00159 15 4YZ 0.00029 0.00077 0.00302 0.00274 0.00034 16 2 C 1S 0.01477 -0.00215 0.00039 0.00230 -0.00674 17 2S -0.02924 0.00586 -0.00138 -0.00697 0.01675 18 2PX -0.13425 -0.00300 -0.00037 0.02087 0.01506 19 2PY 0.13765 0.02228 0.00398 -0.07838 -0.01067 20 2PZ 0.12417 0.02893 0.04407 0.05819 0.00250 21 3S -0.05236 0.00453 0.00174 -0.00108 0.00727 22 3PX -0.04100 0.00035 -0.00067 0.00884 0.01273 23 3PY 0.04201 0.00791 0.00362 -0.02246 -0.00937 24 3PZ 0.03958 0.01565 0.02107 0.02658 0.00252 25 4XX 0.00030 -0.00121 -0.00219 -0.00253 -0.00060 26 4YY -0.00216 0.00056 -0.00034 -0.00157 0.00006 27 4ZZ -0.00106 0.00053 0.00210 0.00436 0.00092 28 4XY -0.00331 0.00025 0.00090 0.00237 -0.00136 29 4XZ 0.00094 -0.00064 -0.00034 -0.00164 -0.00137 30 4YZ 0.00184 0.00060 0.00100 0.00072 0.00018 31 3 C 1S 0.01477 -0.00215 0.00039 0.00230 0.00674 32 2S -0.02924 0.00586 -0.00138 -0.00697 -0.01675 33 2PX -0.13425 -0.00300 -0.00037 0.02087 -0.01506 34 2PY -0.13765 -0.02228 -0.00398 0.07838 -0.01067 35 2PZ 0.12417 0.02893 0.04407 0.05819 -0.00250 36 3S -0.05236 0.00453 0.00174 -0.00108 -0.00727 37 3PX -0.04100 0.00035 -0.00067 0.00884 -0.01273 38 3PY -0.04201 -0.00791 -0.00362 0.02246 -0.00937 39 3PZ 0.03958 0.01565 0.02107 0.02658 -0.00252 40 4XX 0.00030 -0.00121 -0.00219 -0.00253 0.00060 41 4YY -0.00216 0.00056 -0.00034 -0.00157 -0.00006 42 4ZZ -0.00106 0.00053 0.00210 0.00436 -0.00092 43 4XY 0.00331 -0.00025 -0.00090 -0.00237 -0.00136 44 4XZ 0.00094 -0.00064 -0.00034 -0.00164 0.00137 45 4YZ -0.00184 -0.00060 -0.00100 -0.00072 0.00018 46 4 C 1S 0.01540 0.00161 0.00540 -0.00399 0.00211 47 2S -0.03194 -0.00136 -0.01047 0.01124 -0.00551 48 2PX 0.04957 0.01942 0.05774 0.10936 -0.01327 49 2PY -0.20979 -0.01431 -0.00242 0.05501 0.00205 50 2PZ -0.03121 0.00946 0.02463 0.04459 -0.02429 51 3S -0.04653 -0.01827 -0.02058 -0.00487 -0.01008 52 3PX 0.01420 0.00168 0.01973 0.05169 -0.00349 53 3PY -0.08114 0.00224 0.01569 0.03079 -0.00071 54 3PZ -0.01498 0.00261 0.01152 0.02332 -0.01778 55 4XX -0.00067 0.00076 -0.00026 -0.00132 -0.00099 56 4YY 0.00097 0.00027 -0.00099 -0.00154 -0.00057 57 4ZZ -0.00266 -0.00118 0.00154 0.00177 0.00136 58 4XY -0.00387 -0.00202 -0.00472 -0.00447 -0.00013 59 4XZ 0.00166 0.00031 0.00170 0.00133 0.00159 60 4YZ -0.00029 -0.00077 -0.00302 -0.00274 0.00034 61 5 H 1S -0.12117 -0.00828 -0.00809 0.02529 0.00327 62 2S -0.06485 -0.00030 -0.01573 0.01244 -0.00436 63 6 H 1S -0.12797 -0.01430 -0.01535 0.01114 0.01565 64 2S -0.07978 -0.00930 -0.00780 0.01067 0.00748 65 7 H 1S -0.12797 -0.01430 -0.01535 0.01114 -0.01565 66 2S -0.07978 -0.00930 -0.00780 0.01067 -0.00748 67 8 H 1S -0.12117 -0.00828 -0.00809 0.02529 -0.00327 68 2S -0.06485 -0.00030 -0.01573 0.01244 0.00436 69 9 C 1S 0.01110 0.00229 -0.00739 -0.00079 0.00000 70 2S -0.02235 -0.00533 0.01446 -0.00068 0.00000 71 2PX 0.10956 0.03713 0.14246 0.21922 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 -0.02049 73 2PZ -0.13997 -0.00221 0.08114 0.14621 0.00000 74 3S -0.03670 0.00307 0.03230 0.02134 0.00000 75 3PX 0.04822 0.02950 0.08028 0.10812 0.00000 76 3PY 0.00000 0.00000 0.00000 0.00000 -0.00352 77 3PZ -0.04707 -0.00432 0.03503 0.06184 0.00000 78 4XX -0.00475 -0.00007 0.00013 0.00024 0.00000 79 4YY -0.00414 0.00009 -0.00110 0.00021 0.00000 80 4ZZ 0.00545 0.00050 0.00239 0.00277 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00067 82 4XZ -0.00617 -0.00006 0.00447 0.00991 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00021 84 10 H 1S -0.08618 -0.01988 -0.05858 -0.09428 0.00000 85 2S -0.04916 -0.00631 -0.03608 -0.06936 0.00000 86 11 H 1S -0.03583 0.00903 0.09276 0.14745 0.00000 87 2S -0.02937 0.00296 0.05633 0.10182 0.00000 88 12 C 1S 0.00051 0.00753 0.00231 -0.01053 -0.04534 89 2S 0.00029 -0.01633 -0.00208 0.02301 0.08900 90 2PX -0.00482 -0.09714 -0.03632 -0.01678 0.09653 91 2PY -0.04224 0.10519 0.21006 -0.11472 0.05819 92 2PZ 0.00659 0.05567 -0.09216 -0.10815 -0.10981 93 3S -0.00831 -0.00787 0.00512 0.00842 0.16421 94 3PX -0.00156 -0.04028 -0.01184 -0.01500 0.01354 95 3PY -0.01559 0.04055 0.07393 -0.03903 0.01221 96 3PZ -0.00173 0.02243 -0.04761 -0.04880 -0.01564 97 4XX 0.00073 0.00258 0.00360 -0.00080 -0.00423 98 4YY 0.00011 -0.00146 -0.00166 0.00192 -0.00384 99 4ZZ -0.00135 -0.00133 0.00311 -0.00438 0.00314 100 4XY -0.00081 -0.00127 -0.00244 0.00459 0.00896 101 4XZ 0.00074 -0.00113 -0.00414 -0.00156 -0.00214 102 4YZ -0.00081 0.00088 0.00119 -0.00016 -0.01122 103 13 C 1S 0.00051 0.00753 0.00231 -0.01053 0.04534 104 2S 0.00029 -0.01633 -0.00208 0.02301 -0.08900 105 2PX -0.00482 -0.09714 -0.03632 -0.01678 -0.09653 106 2PY 0.04224 -0.10519 -0.21006 0.11471 0.05820 107 2PZ 0.00659 0.05567 -0.09216 -0.10815 0.10981 108 3S -0.00831 -0.00787 0.00512 0.00842 -0.16421 109 3PX -0.00156 -0.04028 -0.01184 -0.01500 -0.01354 110 3PY 0.01559 -0.04054 -0.07392 0.03903 0.01221 111 3PZ -0.00173 0.02243 -0.04761 -0.04880 0.01564 112 4XX 0.00073 0.00258 0.00360 -0.00080 0.00423 113 4YY 0.00011 -0.00146 -0.00166 0.00192 0.00384 114 4ZZ -0.00135 -0.00133 0.00311 -0.00438 -0.00314 115 4XY 0.00081 0.00127 0.00244 -0.00459 0.00896 116 4XZ 0.00074 -0.00113 -0.00414 -0.00156 0.00214 117 4YZ 0.00081 -0.00088 -0.00119 0.00016 -0.01122 118 14 C 1S -0.00549 0.01713 -0.03952 0.01639 -0.07169 119 2S 0.01361 -0.04178 0.09362 -0.03845 0.15895 120 2PX -0.03729 0.17129 0.05229 -0.13294 -0.00307 121 2PY 0.01061 0.04172 -0.07256 0.06016 -0.01181 122 2PZ 0.00815 -0.13052 -0.10352 -0.01015 0.01190 123 3S 0.00366 -0.04283 0.09262 -0.04836 0.19611 124 3PX -0.00868 0.03926 0.00179 -0.04080 0.00963 125 3PY 0.00974 0.02276 -0.01557 0.02549 0.06786 126 3PZ -0.00425 -0.03498 -0.03065 -0.02379 0.01158 127 4XX -0.00071 -0.00215 0.00011 -0.00108 -0.00988 128 4YY 0.00067 0.00666 -0.00967 0.00424 -0.00095 129 4ZZ -0.00068 -0.00064 0.00013 0.00128 -0.00917 130 4XY 0.00082 -0.00350 -0.00133 -0.00078 0.00021 131 4XZ -0.00026 0.00267 -0.00453 -0.00009 0.00422 132 4YZ -0.00006 0.00302 -0.00029 0.00013 0.00050 133 15 C 1S 0.00245 -0.00980 0.00025 -0.00346 0.04401 134 2S -0.00414 0.01988 0.00293 0.00859 -0.08791 135 2PX 0.01820 0.00009 -0.10813 0.06341 0.12580 136 2PY -0.02360 0.30539 -0.06563 0.03118 0.06238 137 2PZ -0.02658 0.00262 0.04591 -0.11266 -0.09246 138 3S -0.00195 -0.01027 -0.01017 0.01359 -0.15766 139 3PX 0.00500 -0.00007 -0.05259 0.02131 0.01754 140 3PY -0.00955 0.09702 -0.01373 0.00002 0.00952 141 3PZ -0.01069 0.00059 0.02032 -0.05178 -0.01623 142 4XX 0.00008 -0.00612 0.00138 -0.00458 -0.00031 143 4YY -0.00018 0.00273 -0.00008 0.00063 0.00283 144 4ZZ 0.00078 -0.00373 0.00329 0.00110 0.00155 145 4XY -0.00066 0.00191 -0.00077 -0.00098 -0.01353 146 4XZ -0.00084 0.00465 -0.00272 0.00003 0.00316 147 4YZ 0.00023 -0.00150 -0.00037 -0.00045 0.00997 148 16 C 1S 0.00245 -0.00980 0.00025 -0.00346 -0.04401 149 2S -0.00414 0.01988 0.00293 0.00859 0.08791 150 2PX 0.01820 0.00008 -0.10813 0.06341 -0.12580 151 2PY 0.02360 -0.30539 0.06563 -0.03118 0.06238 152 2PZ -0.02658 0.00262 0.04591 -0.11266 0.09246 153 3S -0.00195 -0.01027 -0.01017 0.01358 0.15766 154 3PX 0.00500 -0.00007 -0.05259 0.02131 -0.01754 155 3PY 0.00955 -0.09702 0.01373 -0.00002 0.00952 156 3PZ -0.01069 0.00059 0.02032 -0.05178 0.01623 157 4XX 0.00008 -0.00612 0.00138 -0.00458 0.00031 158 4YY -0.00018 0.00273 -0.00008 0.00063 -0.00283 159 4ZZ 0.00078 -0.00373 0.00329 0.00110 -0.00155 160 4XY 0.00066 -0.00191 0.00077 0.00098 -0.01353 161 4XZ -0.00084 0.00465 -0.00272 0.00003 -0.00316 162 4YZ -0.00023 0.00150 0.00037 0.00045 0.00997 163 17 C 1S -0.00549 0.01713 -0.03952 0.01639 0.07169 164 2S 0.01361 -0.04178 0.09362 -0.03845 -0.15895 165 2PX -0.03729 0.17129 0.05229 -0.13294 0.00307 166 2PY -0.01061 -0.04172 0.07256 -0.06015 -0.01181 167 2PZ 0.00815 -0.13052 -0.10352 -0.01015 -0.01190 168 3S 0.00366 -0.04283 0.09262 -0.04836 -0.19611 169 3PX -0.00868 0.03926 0.00179 -0.04080 -0.00963 170 3PY -0.00974 -0.02276 0.01557 -0.02549 0.06786 171 3PZ -0.00425 -0.03498 -0.03065 -0.02379 -0.01158 172 4XX -0.00071 -0.00215 0.00011 -0.00108 0.00988 173 4YY 0.00067 0.00666 -0.00967 0.00424 0.00095 174 4ZZ -0.00068 -0.00064 0.00013 0.00128 0.00917 175 4XY -0.00082 0.00350 0.00133 0.00078 0.00021 176 4XZ -0.00026 0.00267 -0.00453 -0.00009 -0.00422 177 4YZ 0.00006 -0.00302 0.00029 -0.00013 0.00050 178 18 H 1S -0.01637 -0.02465 0.08293 0.01891 0.13633 179 2S -0.01521 -0.01029 0.04700 0.01277 0.10245 180 19 H 1S -0.01637 -0.02465 0.08293 0.01891 -0.13634 181 2S -0.01521 -0.01029 0.04700 0.01277 -0.10245 182 20 H 1S -0.00854 -0.08034 0.07251 -0.06145 -0.14610 183 2S -0.00484 -0.05590 0.04090 -0.04093 -0.11325 184 21 H 1S -0.00854 -0.08034 0.07251 -0.06145 0.14610 185 2S -0.00484 -0.05590 0.04090 -0.04093 0.11325 186 22 O 1S -0.00047 -0.02758 0.04869 -0.02371 -0.03845 187 2S 0.00009 0.05705 -0.10275 0.04772 0.08542 188 2PX -0.02370 0.09846 0.04625 -0.08931 -0.01682 189 2PY -0.00558 0.08597 -0.15988 0.07608 0.16982 190 2PZ 0.00230 -0.09069 -0.05008 -0.02312 -0.01942 191 3S 0.00749 0.12132 -0.20066 0.10955 0.12808 192 3PX -0.01376 0.05965 0.02667 -0.04964 -0.00891 193 3PY -0.00590 0.03838 -0.07641 0.03303 0.09620 194 3PZ 0.00209 -0.05170 -0.02972 -0.00973 -0.01020 195 4XX -0.00112 -0.00044 0.00239 -0.00285 0.00169 196 4YY 0.00054 -0.00843 0.01461 -0.00657 -0.01366 197 4ZZ -0.00046 -0.00216 0.00062 -0.00138 0.00162 198 4XY 0.00192 -0.00806 -0.00427 0.00762 0.00162 199 4XZ -0.00023 0.00093 -0.00165 -0.00012 -0.00054 200 4YZ -0.00038 0.00771 0.00391 0.00177 0.00184 201 23 O 1S -0.00047 -0.02758 0.04869 -0.02371 0.03845 202 2S 0.00009 0.05705 -0.10275 0.04772 -0.08542 203 2PX -0.02370 0.09845 0.04626 -0.08931 0.01682 204 2PY 0.00558 -0.08597 0.15987 -0.07608 0.16982 205 2PZ 0.00230 -0.09069 -0.05008 -0.02312 0.01941 206 3S 0.00749 0.12131 -0.20066 0.10955 -0.12808 207 3PX -0.01376 0.05965 0.02667 -0.04964 0.00891 208 3PY 0.00590 -0.03838 0.07640 -0.03303 0.09620 209 3PZ 0.00209 -0.05170 -0.02972 -0.00973 0.01020 210 4XX -0.00112 -0.00044 0.00239 -0.00285 -0.00169 211 4YY 0.00054 -0.00844 0.01461 -0.00657 0.01366 212 4ZZ -0.00046 -0.00216 0.00062 -0.00138 -0.00162 213 4XY -0.00192 0.00806 0.00427 -0.00762 0.00162 214 4XZ -0.00023 0.00093 -0.00165 -0.00012 0.00054 215 4YZ 0.00038 -0.00771 -0.00391 -0.00177 0.00184 31 32 33 34 35 O O O O O Eigenvalues -- -0.44179 -0.41913 -0.40927 -0.40532 -0.39948 1 1 C 1S -0.00072 -0.00777 -0.02816 0.01594 0.00199 2 2S 0.00333 0.01612 0.06584 -0.03382 -0.00184 3 2PX 0.03353 0.02925 0.13593 0.06401 0.03568 4 2PY -0.01807 0.02763 0.21806 -0.06776 0.08006 5 2PZ 0.04605 -0.02790 -0.08077 -0.03468 -0.01790 6 3S -0.00953 0.03793 0.10648 -0.06615 -0.01883 7 3PX 0.01745 0.01626 0.06133 0.00921 0.02126 8 3PY -0.00778 0.00473 0.07980 -0.02831 0.01921 9 3PZ 0.02565 -0.00771 -0.02466 -0.00191 -0.01153 10 4XX 0.00117 -0.00041 0.00349 0.00322 0.00142 11 4YY 0.00052 -0.00183 -0.01374 -0.00302 -0.00518 12 4ZZ -0.00241 0.00052 0.00162 0.00357 0.00174 13 4XY 0.00177 0.00080 0.00194 0.00742 -0.00499 14 4XZ 0.00170 -0.00023 -0.00370 0.00298 0.00104 15 4YZ 0.00140 -0.00020 0.00273 -0.00366 0.00548 16 2 C 1S -0.00222 0.00273 -0.00960 -0.00959 0.01083 17 2S 0.00577 -0.00440 0.02804 0.02076 -0.02590 18 2PX 0.05100 -0.04847 -0.17799 -0.04652 0.01781 19 2PY -0.01150 0.01043 0.02253 0.09105 -0.20098 20 2PZ 0.03494 0.03605 0.15537 0.06305 -0.02323 21 3S 0.00526 -0.01318 0.00324 0.04659 -0.03005 22 3PX 0.02587 -0.01315 -0.03337 -0.01971 0.00484 23 3PY -0.00372 0.00571 0.01239 0.02238 -0.06555 24 3PZ 0.02158 0.00296 0.02965 0.02887 -0.00565 25 4XX -0.00223 0.00087 0.00298 -0.00410 0.00549 26 4YY 0.00065 -0.00174 -0.00995 0.00229 -0.00561 27 4ZZ 0.00226 -0.00030 0.00047 -0.00252 0.00506 28 4XY 0.00133 0.00343 0.01059 0.00299 -0.00309 29 4XZ -0.00190 0.00067 -0.00117 0.00424 -0.00524 30 4YZ 0.00131 -0.00269 -0.00969 -0.00193 0.00306 31 3 C 1S -0.00222 -0.00273 0.00960 -0.00959 0.01083 32 2S 0.00577 0.00440 -0.02803 0.02076 -0.02590 33 2PX 0.05100 0.04847 0.17799 -0.04653 0.01782 34 2PY 0.01150 0.01042 0.02252 -0.09105 0.20098 35 2PZ 0.03494 -0.03605 -0.15537 0.06306 -0.02323 36 3S 0.00526 0.01318 -0.00323 0.04659 -0.03005 37 3PX 0.02587 0.01315 0.03337 -0.01971 0.00484 38 3PY 0.00372 0.00571 0.01239 -0.02238 0.06555 39 3PZ 0.02158 -0.00296 -0.02965 0.02887 -0.00565 40 4XX -0.00223 -0.00087 -0.00298 -0.00410 0.00549 41 4YY 0.00065 0.00174 0.00995 0.00229 -0.00561 42 4ZZ 0.00226 0.00030 -0.00047 -0.00252 0.00506 43 4XY -0.00133 0.00343 0.01059 -0.00299 0.00309 44 4XZ -0.00190 -0.00067 0.00117 0.00424 -0.00524 45 4YZ -0.00131 -0.00269 -0.00969 0.00193 -0.00306 46 4 C 1S -0.00072 0.00777 0.02816 0.01594 0.00199 47 2S 0.00333 -0.01612 -0.06584 -0.03382 -0.00184 48 2PX 0.03353 -0.02925 -0.13593 0.06402 0.03568 49 2PY 0.01808 0.02763 0.21807 0.06775 -0.08006 50 2PZ 0.04605 0.02791 0.08077 -0.03468 -0.01790 51 3S -0.00953 -0.03793 -0.10649 -0.06615 -0.01883 52 3PX 0.01745 -0.01626 -0.06133 0.00921 0.02126 53 3PY 0.00778 0.00473 0.07980 0.02830 -0.01921 54 3PZ 0.02565 0.00771 0.02466 -0.00191 -0.01153 55 4XX 0.00117 0.00041 -0.00349 0.00322 0.00142 56 4YY 0.00052 0.00184 0.01374 -0.00302 -0.00518 57 4ZZ -0.00241 -0.00052 -0.00162 0.00357 0.00174 58 4XY -0.00177 0.00080 0.00194 -0.00742 0.00499 59 4XZ 0.00170 0.00023 0.00370 0.00298 0.00104 60 4YZ -0.00140 -0.00020 0.00273 0.00366 -0.00548 61 5 H 1S 0.01390 -0.01586 -0.13248 0.01572 -0.06304 62 2S 0.01402 -0.02909 -0.12914 0.02990 -0.05794 63 6 H 1S 0.01257 -0.03987 -0.12748 -0.06747 0.08309 64 2S 0.00861 -0.03552 -0.12829 -0.06589 0.08139 65 7 H 1S 0.01257 0.03987 0.12748 -0.06747 0.08309 66 2S 0.00861 0.03552 0.12829 -0.06589 0.08139 67 8 H 1S 0.01390 0.01586 0.13249 0.01571 -0.06304 68 2S 0.01402 0.02909 0.12914 0.02989 -0.05794 69 9 C 1S 0.00825 0.00000 0.00000 0.02008 -0.00871 70 2S -0.02020 0.00000 0.00000 -0.04641 0.01563 71 2PX 0.11685 0.00000 0.00000 0.07935 0.11687 72 2PY 0.00000 0.00510 -0.07117 0.00000 0.00000 73 2PZ 0.01890 0.00000 0.00000 0.20671 -0.04147 74 3S -0.01545 0.00000 0.00000 -0.07362 0.05355 75 3PX 0.05162 0.00000 0.00000 0.06759 0.04861 76 3PY 0.00000 0.01206 -0.01062 0.00000 0.00000 77 3PZ -0.00461 0.00000 0.00000 0.08121 -0.04052 78 4XX -0.00236 0.00000 0.00000 0.00622 -0.00487 79 4YY 0.00150 0.00000 0.00000 -0.00529 -0.00183 80 4ZZ 0.00025 0.00000 0.00000 0.00396 0.00368 81 4XY 0.00000 -0.00164 -0.00808 0.00000 0.00000 82 4XZ 0.00532 0.00000 0.00000 0.00833 0.00465 83 4YZ 0.00000 0.00075 0.00763 0.00000 0.00000 84 10 H 1S -0.07183 0.00000 0.00000 -0.00808 -0.06917 85 2S -0.05099 0.00000 0.00000 0.04040 -0.06093 86 11 H 1S 0.04581 0.00000 0.00000 0.12191 0.03556 87 2S 0.04286 0.00000 0.00000 0.10898 0.03570 88 12 C 1S -0.02008 -0.00275 0.00527 -0.00689 -0.00740 89 2S 0.04316 0.00561 -0.00646 0.01490 0.01966 90 2PX -0.14855 -0.08178 0.00936 0.05967 0.04894 91 2PY -0.14497 -0.01266 0.00451 0.03251 -0.15250 92 2PZ 0.15830 0.09165 0.01676 0.01231 0.05295 93 3S 0.08719 0.05791 -0.05285 0.01803 0.00448 94 3PX -0.07047 -0.05029 -0.00352 0.03399 0.04419 95 3PY -0.02431 -0.03923 0.03348 0.01510 -0.04129 96 3PZ 0.06548 0.05800 0.00856 0.00619 0.01196 97 4XX -0.00264 0.00306 -0.00283 -0.00477 -0.00534 98 4YY 0.00406 -0.00436 0.00280 0.00051 0.00628 99 4ZZ -0.00892 -0.00059 0.00123 0.00383 -0.00305 100 4XY -0.00050 -0.00326 0.00058 0.00068 -0.00268 101 4XZ 0.00215 -0.00235 0.00018 -0.00544 0.00369 102 4YZ 0.00249 0.00616 0.00315 0.00091 0.00085 103 13 C 1S -0.02008 0.00275 -0.00527 -0.00689 -0.00740 104 2S 0.04316 -0.00561 0.00646 0.01490 0.01966 105 2PX -0.14855 0.08178 -0.00935 0.05967 0.04894 106 2PY 0.14497 -0.01266 0.00451 -0.03251 0.15250 107 2PZ 0.15830 -0.09165 -0.01676 0.01231 0.05295 108 3S 0.08719 -0.05791 0.05285 0.01802 0.00447 109 3PX -0.07047 0.05029 0.00352 0.03399 0.04419 110 3PY 0.02431 -0.03923 0.03348 -0.01510 0.04129 111 3PZ 0.06548 -0.05800 -0.00856 0.00619 0.01196 112 4XX -0.00264 -0.00306 0.00283 -0.00477 -0.00534 113 4YY 0.00406 0.00436 -0.00280 0.00051 0.00628 114 4ZZ -0.00892 0.00059 -0.00123 0.00383 -0.00305 115 4XY 0.00050 -0.00326 0.00058 -0.00068 0.00268 116 4XZ 0.00215 0.00235 -0.00018 -0.00544 0.00369 117 4YZ -0.00249 0.00616 0.00315 -0.00091 -0.00085 118 14 C 1S 0.00451 -0.00231 -0.00366 0.00069 -0.00773 119 2S -0.01058 0.00860 0.00955 -0.00101 0.02084 120 2PX 0.09790 -0.04582 -0.07961 0.10650 0.02514 121 2PY 0.04349 -0.25687 0.07255 0.00180 -0.17247 122 2PZ -0.03755 -0.04663 -0.03930 0.17920 0.04293 123 3S -0.01545 -0.01517 0.00914 -0.00564 -0.00086 124 3PX -0.00932 -0.01089 -0.03185 0.06260 0.02155 125 3PY 0.00300 0.00137 0.01293 -0.00263 0.02263 126 3PZ 0.01848 -0.01743 -0.03537 0.09219 0.02849 127 4XX 0.00156 -0.00586 0.00126 -0.00172 -0.00899 128 4YY 0.00055 0.00081 -0.00092 0.00048 0.01025 129 4ZZ -0.00039 -0.00445 0.00138 0.00264 -0.00732 130 4XY 0.00833 0.00159 0.00335 -0.00540 0.00041 131 4XZ 0.00008 0.00090 -0.00034 -0.00299 0.00416 132 4YZ -0.00645 0.00129 0.00321 -0.00497 -0.00075 133 15 C 1S 0.01370 0.00379 0.00356 -0.00306 -0.00391 134 2S -0.02999 -0.00696 -0.00639 0.00771 0.01377 135 2PX -0.14416 -0.09382 0.04523 0.11235 0.01895 136 2PY -0.12931 -0.01107 0.00793 -0.00439 0.15715 137 2PZ 0.11728 0.05661 -0.05637 0.09554 0.03198 138 3S -0.06543 -0.06952 -0.00544 0.01212 -0.00981 139 3PX -0.05521 -0.06298 0.02158 0.05837 -0.01140 140 3PY -0.01353 -0.04482 -0.00226 -0.00635 0.03732 141 3PZ 0.04524 0.03622 -0.03088 0.05388 0.03255 142 4XX 0.00679 -0.00301 -0.00123 0.00413 -0.00380 143 4YY -0.00360 0.00534 -0.00096 0.00065 0.00574 144 4ZZ 0.00285 -0.00005 0.00166 -0.00489 -0.00400 145 4XY 0.00253 0.00572 -0.00340 0.00100 -0.00165 146 4XZ -0.00519 0.00145 -0.00022 0.00176 0.00491 147 4YZ -0.00221 -0.00278 0.00499 0.00216 0.00214 148 16 C 1S 0.01370 -0.00379 -0.00356 -0.00306 -0.00391 149 2S -0.02999 0.00696 0.00639 0.00771 0.01377 150 2PX -0.14415 0.09382 -0.04522 0.11235 0.01895 151 2PY 0.12931 -0.01106 0.00793 0.00439 -0.15715 152 2PZ 0.11728 -0.05660 0.05637 0.09554 0.03198 153 3S -0.06543 0.06952 0.00544 0.01212 -0.00981 154 3PX -0.05521 0.06298 -0.02157 0.05837 -0.01140 155 3PY 0.01354 -0.04482 -0.00226 0.00635 -0.03732 156 3PZ 0.04524 -0.03622 0.03089 0.05388 0.03255 157 4XX 0.00679 0.00301 0.00123 0.00413 -0.00380 158 4YY -0.00360 -0.00534 0.00096 0.00065 0.00574 159 4ZZ 0.00285 0.00005 -0.00166 -0.00489 -0.00400 160 4XY -0.00253 0.00572 -0.00340 -0.00100 0.00165 161 4XZ -0.00519 -0.00145 0.00022 0.00176 0.00491 162 4YZ 0.00221 -0.00278 0.00499 -0.00216 -0.00214 163 17 C 1S 0.00450 0.00231 0.00366 0.00069 -0.00773 164 2S -0.01058 -0.00860 -0.00955 -0.00101 0.02084 165 2PX 0.09790 0.04581 0.07961 0.10649 0.02515 166 2PY -0.04349 -0.25687 0.07255 -0.00180 0.17247 167 2PZ -0.03755 0.04663 0.03931 0.17920 0.04293 168 3S -0.01545 0.01517 -0.00914 -0.00564 -0.00086 169 3PX -0.00932 0.01089 0.03186 0.06259 0.02154 170 3PY -0.00300 0.00137 0.01293 0.00263 -0.02263 171 3PZ 0.01848 0.01743 0.03538 0.09219 0.02849 172 4XX 0.00156 0.00586 -0.00126 -0.00172 -0.00899 173 4YY 0.00055 -0.00081 0.00092 0.00048 0.01025 174 4ZZ -0.00039 0.00445 -0.00138 0.00264 -0.00732 175 4XY -0.00833 0.00159 0.00335 0.00540 -0.00041 176 4XZ 0.00008 -0.00090 0.00034 -0.00299 0.00416 177 4YZ 0.00645 0.00129 0.00321 0.00497 0.00075 178 18 H 1S -0.13257 -0.06554 -0.00852 0.02970 -0.05390 179 2S -0.10975 -0.03442 -0.00541 0.02059 -0.06105 180 19 H 1S -0.13257 0.06554 0.00852 0.02969 -0.05390 181 2S -0.10975 0.03442 0.00541 0.02059 -0.06105 182 20 H 1S 0.12355 0.05757 -0.04642 -0.01305 -0.05184 183 2S 0.11015 0.02656 -0.03465 -0.01004 -0.06607 184 21 H 1S 0.12355 -0.05757 0.04642 -0.01305 -0.05184 185 2S 0.11014 -0.02656 0.03464 -0.01004 -0.06607 186 22 O 1S -0.01271 -0.05104 0.01170 -0.00398 0.02694 187 2S 0.02583 0.10843 -0.02446 0.00530 -0.05639 188 2PX 0.02247 -0.00452 0.09525 0.11804 0.05882 189 2PY 0.06720 0.32219 -0.05463 0.05363 -0.22688 190 2PZ -0.00217 0.00685 0.06148 0.17439 0.07143 191 3S 0.05514 0.19917 -0.04968 0.02769 -0.09549 192 3PX 0.01611 -0.00121 0.05868 0.07221 0.03502 193 3PY 0.03418 0.17923 -0.02722 0.02737 -0.13312 194 3PZ -0.00251 0.00510 0.03732 0.10559 0.04276 195 4XX 0.00019 0.00118 0.00156 0.00024 -0.00165 196 4YY -0.00532 -0.02122 0.00264 -0.00552 0.01291 197 4ZZ -0.00044 0.00164 0.00057 0.00093 -0.00124 198 4XY -0.00316 0.00077 -0.00643 -0.00797 -0.00445 199 4XZ 0.00030 0.00109 0.00092 0.00166 0.00106 200 4YZ 0.00138 -0.00006 -0.00414 -0.01233 -0.00517 201 23 O 1S -0.01271 0.05104 -0.01170 -0.00398 0.02694 202 2S 0.02583 -0.10843 0.02446 0.00530 -0.05639 203 2PX 0.02246 0.00453 -0.09524 0.11804 0.05882 204 2PY -0.06721 0.32219 -0.05464 -0.05363 0.22688 205 2PZ -0.00217 -0.00685 -0.06147 0.17439 0.07143 206 3S 0.05514 -0.19917 0.04968 0.02769 -0.09549 207 3PX 0.01611 0.00121 -0.05868 0.07221 0.03502 208 3PY -0.03418 0.17923 -0.02722 -0.02737 0.13312 209 3PZ -0.00251 -0.00510 -0.03731 0.10559 0.04276 210 4XX 0.00019 -0.00118 -0.00156 0.00024 -0.00165 211 4YY -0.00532 0.02122 -0.00264 -0.00552 0.01291 212 4ZZ -0.00044 -0.00164 -0.00057 0.00093 -0.00124 213 4XY 0.00316 0.00077 -0.00643 0.00797 0.00445 214 4XZ 0.00030 -0.00109 -0.00092 0.00166 0.00106 215 4YZ -0.00138 -0.00006 -0.00414 0.01233 0.00517 36 37 38 39 40 O O O O O Eigenvalues -- -0.39484 -0.38956 -0.38867 -0.38103 -0.37270 1 1 C 1S -0.00922 0.00480 0.00447 -0.00273 -0.00257 2 2S 0.01085 -0.01297 -0.01128 0.00870 -0.00201 3 2PX -0.13819 0.08952 -0.04098 -0.01878 0.11595 4 2PY -0.08441 -0.11473 -0.12581 0.09484 -0.19341 5 2PZ 0.16833 -0.10289 0.05822 0.11243 -0.16184 6 3S 0.07768 -0.00605 -0.00940 0.00153 0.05800 7 3PX -0.04449 0.03129 0.01128 -0.00326 0.05941 8 3PY -0.00246 -0.02230 -0.05117 0.03035 -0.04332 9 3PZ 0.07269 -0.02622 0.01870 0.05727 -0.07595 10 4XX -0.00754 0.00399 -0.00434 0.00022 0.00009 11 4YY 0.01359 -0.00385 0.00862 -0.00358 0.00830 12 4ZZ -0.00509 0.00079 -0.00091 0.00144 -0.00777 13 4XY 0.00427 0.00477 -0.00041 -0.00241 0.00544 14 4XZ 0.00578 -0.00562 0.00080 -0.00181 0.00015 15 4YZ -0.00243 -0.00949 -0.00229 0.00514 -0.01007 16 2 C 1S 0.00198 -0.02063 0.01115 -0.00863 0.00894 17 2S -0.00108 0.04962 -0.02495 0.01692 -0.00753 18 2PX 0.13350 -0.12194 0.07233 0.06104 -0.10744 19 2PY 0.27877 0.08479 -0.00283 -0.00607 -0.00240 20 2PZ -0.03769 0.08813 -0.05294 -0.01553 0.08070 21 3S -0.02254 0.06026 -0.04830 0.04389 -0.12356 22 3PX 0.06919 -0.04369 0.02320 0.02425 -0.00232 23 3PY 0.10142 0.01392 -0.00406 0.01216 -0.05005 24 3PZ -0.02060 0.02912 -0.02345 0.00397 0.00310 25 4XX -0.00745 -0.00380 -0.00194 -0.00109 -0.00027 26 4YY 0.00765 0.00372 0.00504 -0.00115 0.00240 27 4ZZ -0.00143 -0.00665 0.00025 0.00278 -0.00285 28 4XY 0.00315 0.00381 -0.00363 -0.00617 0.01133 29 4XZ 0.00515 0.00528 0.00148 -0.00323 0.00403 30 4YZ -0.00150 -0.00457 0.00262 0.00285 -0.00900 31 3 C 1S 0.00198 -0.02063 -0.01115 0.00863 -0.00894 32 2S -0.00108 0.04962 0.02494 -0.01692 0.00753 33 2PX 0.13349 -0.12194 -0.07233 -0.06104 0.10744 34 2PY -0.27877 -0.08479 -0.00282 -0.00607 -0.00240 35 2PZ -0.03768 0.08813 0.05294 0.01553 -0.08070 36 3S -0.02254 0.06027 0.04830 -0.04389 0.12356 37 3PX 0.06918 -0.04369 -0.02321 -0.02425 0.00232 38 3PY -0.10142 -0.01393 -0.00406 0.01216 -0.05005 39 3PZ -0.02060 0.02912 0.02345 -0.00397 -0.00310 40 4XX -0.00745 -0.00380 0.00194 0.00109 0.00027 41 4YY 0.00765 0.00372 -0.00504 0.00115 -0.00240 42 4ZZ -0.00143 -0.00665 -0.00025 -0.00278 0.00285 43 4XY -0.00315 -0.00381 -0.00363 -0.00617 0.01133 44 4XZ 0.00515 0.00528 -0.00148 0.00323 -0.00403 45 4YZ 0.00150 0.00457 0.00262 0.00285 -0.00900 46 4 C 1S -0.00922 0.00480 -0.00447 0.00273 0.00257 47 2S 0.01085 -0.01297 0.01128 -0.00870 0.00201 48 2PX -0.13819 0.08952 0.04098 0.01878 -0.11595 49 2PY 0.08440 0.11473 -0.12582 0.09484 -0.19341 50 2PZ 0.16833 -0.10289 -0.05822 -0.11243 0.16184 51 3S 0.07769 -0.00605 0.00940 -0.00153 -0.05800 52 3PX -0.04449 0.03129 -0.01128 0.00326 -0.05941 53 3PY 0.00246 0.02229 -0.05118 0.03035 -0.04332 54 3PZ 0.07269 -0.02622 -0.01870 -0.05727 0.07595 55 4XX -0.00754 0.00399 0.00434 -0.00022 -0.00009 56 4YY 0.01359 -0.00385 -0.00862 0.00358 -0.00830 57 4ZZ -0.00509 0.00079 0.00091 -0.00144 0.00777 58 4XY -0.00427 -0.00477 -0.00041 -0.00241 0.00544 59 4XZ 0.00578 -0.00562 -0.00080 0.00181 -0.00015 60 4YZ 0.00243 0.00949 -0.00229 0.00514 -0.01007 61 5 H 1S 0.11136 0.03821 0.08531 -0.04241 0.09675 62 2S 0.09828 0.03384 0.05941 -0.04725 0.09825 63 6 H 1S -0.04767 -0.09442 0.03839 0.04821 -0.09578 64 2S -0.04905 -0.10184 0.04083 0.04562 -0.11135 65 7 H 1S -0.04767 -0.09442 -0.03838 -0.04821 0.09578 66 2S -0.04905 -0.10184 -0.04082 -0.04563 0.11135 67 8 H 1S 0.11136 0.03820 -0.08532 0.04241 -0.09675 68 2S 0.09828 0.03384 -0.05941 0.04725 -0.09825 69 9 C 1S 0.01190 0.01588 0.00000 0.00000 0.00000 70 2S -0.01829 -0.03813 0.00000 0.00000 0.00000 71 2PX 0.09807 -0.21480 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.02922 -0.17799 0.32841 73 2PZ -0.09381 0.23172 0.00000 0.00000 0.00000 74 3S -0.08343 -0.08306 0.00000 0.00000 0.00000 75 3PX 0.03162 -0.10664 0.00000 0.00000 0.00000 76 3PY 0.00000 0.00000 0.00135 -0.08318 0.17473 77 3PZ -0.02242 0.11669 0.00000 0.00000 0.00000 78 4XX -0.00943 0.01601 0.00000 0.00000 0.00000 79 4YY 0.01295 -0.00956 0.00000 0.00000 0.00000 80 4ZZ -0.00534 -0.00040 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00158 -0.00476 0.00450 82 4XZ 0.00533 -0.00514 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 -0.00397 0.00513 -0.01171 84 10 H 1S -0.10255 0.16997 0.00000 0.00000 0.00000 85 2S -0.09309 0.14411 0.00000 0.00000 0.00000 86 11 H 1S -0.02220 0.02047 0.00000 0.00000 0.00000 87 2S -0.01466 0.02541 0.00000 0.00000 0.00000 88 12 C 1S -0.00471 -0.00377 0.00346 -0.01253 -0.01469 89 2S 0.01403 0.01247 -0.00363 0.02424 0.02265 90 2PX 0.02733 -0.04079 -0.01430 0.12012 0.07599 91 2PY -0.09190 -0.14865 0.00195 0.00840 0.01159 92 2PZ -0.01497 0.01851 0.09999 -0.07648 -0.06373 93 3S -0.00575 0.00155 -0.03817 0.03492 0.09522 94 3PX 0.01689 -0.00705 0.01021 0.07780 0.02414 95 3PY -0.02959 -0.04095 0.03067 -0.02277 -0.03366 96 3PZ -0.01885 -0.00913 0.03193 -0.03945 -0.00953 97 4XX -0.00409 -0.00077 -0.00279 -0.00274 -0.00326 98 4YY 0.00393 0.00502 0.00166 -0.00192 -0.00193 99 4ZZ -0.00070 -0.00672 0.00108 0.00556 0.00443 100 4XY -0.00009 -0.00007 -0.00218 0.01084 0.00553 101 4XZ 0.00225 0.00376 0.00024 -0.00274 -0.00135 102 4YZ 0.00094 0.00131 0.00930 -0.00619 -0.00598 103 13 C 1S -0.00471 -0.00377 -0.00346 0.01253 0.01469 104 2S 0.01403 0.01247 0.00363 -0.02424 -0.02265 105 2PX 0.02733 -0.04078 0.01430 -0.12012 -0.07599 106 2PY 0.09190 0.14865 0.00194 0.00840 0.01159 107 2PZ -0.01497 0.01851 -0.09999 0.07648 0.06373 108 3S -0.00575 0.00155 0.03817 -0.03492 -0.09522 109 3PX 0.01689 -0.00705 -0.01021 -0.07780 -0.02414 110 3PY 0.02959 0.04096 0.03067 -0.02277 -0.03366 111 3PZ -0.01885 -0.00913 -0.03193 0.03945 0.00953 112 4XX -0.00409 -0.00077 0.00279 0.00274 0.00326 113 4YY 0.00393 0.00502 -0.00166 0.00192 0.00193 114 4ZZ -0.00070 -0.00672 -0.00108 -0.00556 -0.00443 115 4XY 0.00009 0.00007 -0.00218 0.01084 0.00553 116 4XZ 0.00225 0.00376 -0.00024 0.00274 0.00135 117 4YZ -0.00094 -0.00131 0.00930 -0.00619 -0.00598 118 14 C 1S -0.00033 -0.00190 -0.00078 -0.00108 -0.00619 119 2S -0.00074 0.00272 0.00298 0.00454 0.01427 120 2PX -0.03019 -0.03656 -0.20802 0.08523 0.05426 121 2PY -0.08854 -0.09282 0.04280 0.01097 0.02812 122 2PZ 0.00809 -0.07712 -0.11706 -0.19902 -0.08968 123 3S 0.00371 0.00327 -0.00630 -0.01497 0.03036 124 3PX 0.00480 -0.02266 -0.08773 -0.00263 0.01131 125 3PY 0.00424 0.02458 -0.00403 -0.01335 0.01633 126 3PZ 0.00363 -0.03111 -0.08195 -0.07488 -0.03846 127 4XX -0.00377 -0.00567 0.00153 0.00011 0.00032 128 4YY 0.00496 0.00598 -0.00262 -0.00121 0.00019 129 4ZZ -0.00436 -0.00461 0.00165 0.00046 -0.00043 130 4XY -0.00044 0.00478 0.00682 0.00170 -0.00084 131 4XZ 0.00270 0.00437 0.00102 0.00142 0.00037 132 4YZ -0.00059 0.00159 0.00866 0.00769 0.00361 133 15 C 1S -0.00412 0.00430 0.00516 -0.01327 -0.00737 134 2S 0.01208 -0.00970 -0.00958 0.02126 0.01426 135 2PX -0.00177 -0.05222 0.04313 -0.12776 -0.04880 136 2PY 0.08357 0.07065 0.00621 -0.00852 -0.00378 137 2PZ -0.02459 -0.00120 -0.09494 0.06777 0.02432 138 3S 0.00461 -0.02647 -0.00819 0.10256 0.03977 139 3PX -0.01427 -0.03552 0.01563 -0.05067 -0.02693 140 3PY 0.01751 0.02161 -0.00940 0.06122 0.02495 141 3PZ -0.00825 0.00744 -0.05745 0.02083 0.00935 142 4XX -0.00381 -0.00325 -0.00464 0.00073 0.00085 143 4YY 0.00341 0.00163 -0.00009 -0.00227 -0.00165 144 4ZZ -0.00128 0.00080 0.00381 0.00235 0.00134 145 4XY -0.00171 -0.00036 -0.00331 0.01274 0.00516 146 4XZ 0.00227 0.00225 -0.00005 -0.00381 -0.00217 147 4YZ 0.00041 0.00065 0.00918 -0.00645 -0.00269 148 16 C 1S -0.00412 0.00430 -0.00516 0.01327 0.00737 149 2S 0.01208 -0.00970 0.00958 -0.02126 -0.01426 150 2PX -0.00177 -0.05222 -0.04313 0.12776 0.04880 151 2PY -0.08357 -0.07065 0.00622 -0.00852 -0.00378 152 2PZ -0.02459 -0.00119 0.09494 -0.06777 -0.02432 153 3S 0.00461 -0.02647 0.00819 -0.10256 -0.03977 154 3PX -0.01427 -0.03552 -0.01563 0.05067 0.02693 155 3PY -0.01751 -0.02161 -0.00940 0.06122 0.02495 156 3PZ -0.00825 0.00744 0.05745 -0.02083 -0.00935 157 4XX -0.00381 -0.00325 0.00464 -0.00073 -0.00085 158 4YY 0.00341 0.00163 0.00009 0.00227 0.00165 159 4ZZ -0.00128 0.00080 -0.00381 -0.00235 -0.00134 160 4XY 0.00171 0.00036 -0.00331 0.01274 0.00516 161 4XZ 0.00227 0.00225 0.00005 0.00381 0.00217 162 4YZ -0.00041 -0.00065 0.00918 -0.00645 -0.00269 163 17 C 1S -0.00033 -0.00190 0.00078 0.00108 0.00619 164 2S -0.00074 0.00272 -0.00298 -0.00454 -0.01427 165 2PX -0.03018 -0.03654 0.20802 -0.08523 -0.05426 166 2PY 0.08854 0.09282 0.04279 0.01097 0.02812 167 2PZ 0.00810 -0.07711 0.11707 0.19902 0.08968 168 3S 0.00371 0.00327 0.00630 0.01497 -0.03036 169 3PX 0.00481 -0.02265 0.08773 0.00263 -0.01131 170 3PY -0.00424 -0.02458 -0.00403 -0.01335 0.01633 171 3PZ 0.00363 -0.03111 0.08195 0.07488 0.03846 172 4XX -0.00377 -0.00567 -0.00153 -0.00011 -0.00032 173 4YY 0.00496 0.00598 0.00262 0.00121 -0.00019 174 4ZZ -0.00436 -0.00461 -0.00165 -0.00046 0.00043 175 4XY 0.00044 -0.00478 0.00682 0.00170 -0.00084 176 4XZ 0.00270 0.00437 -0.00102 -0.00142 -0.00037 177 4YZ 0.00059 -0.00159 0.00866 0.00769 0.00361 178 18 H 1S -0.01359 -0.06534 -0.05998 0.09678 0.07603 179 2S -0.02452 -0.07018 -0.06330 0.07598 0.06864 180 19 H 1S -0.01358 -0.06534 0.05999 -0.09678 -0.07603 181 2S -0.02451 -0.07018 0.06330 -0.07598 -0.06864 182 20 H 1S -0.03386 -0.00982 -0.06325 0.10724 0.04444 183 2S -0.04077 -0.01748 -0.05318 0.09861 0.03888 184 21 H 1S -0.03386 -0.00982 0.06325 -0.10724 -0.04444 185 2S -0.04077 -0.01748 0.05319 -0.09861 -0.03888 186 22 O 1S 0.01432 0.01440 0.00137 0.00037 0.00101 187 2S -0.02885 -0.03000 -0.00486 -0.00248 -0.00066 188 2PX 0.00286 -0.03261 0.21610 -0.05119 -0.05205 189 2PY -0.11639 -0.14642 0.01177 0.00880 -0.01361 190 2PZ 0.02497 -0.05881 0.16060 0.21694 0.10457 191 3S -0.05862 -0.04986 0.00523 0.00744 -0.00972 192 3PX 0.00040 -0.02003 0.13496 -0.03054 -0.03307 193 3PY -0.06475 -0.08640 0.00504 0.00476 -0.00725 194 3PZ 0.01581 -0.03622 0.10065 0.13737 0.06466 195 4XX -0.00024 -0.00157 0.00131 -0.00098 -0.00061 196 4YY 0.00683 0.00873 -0.00308 -0.00184 0.00119 197 4ZZ -0.00022 -0.00171 0.00049 0.00146 0.00127 198 4XY 0.00031 0.00180 -0.01497 0.00381 0.00313 199 4XZ 0.00060 -0.00008 0.00200 0.00117 0.00021 200 4YZ -0.00168 0.00416 -0.01069 -0.01464 -0.00681 201 23 O 1S 0.01432 0.01440 -0.00137 -0.00037 -0.00101 202 2S -0.02885 -0.03000 0.00486 0.00248 0.00066 203 2PX 0.00285 -0.03262 -0.21609 0.05119 0.05205 204 2PY 0.11639 0.14642 0.01176 0.00880 -0.01361 205 2PZ 0.02496 -0.05882 -0.16060 -0.21694 -0.10457 206 3S -0.05862 -0.04986 -0.00523 -0.00744 0.00972 207 3PX 0.00039 -0.02004 -0.13496 0.03054 0.03307 208 3PY 0.06475 0.08640 0.00503 0.00476 -0.00725 209 3PZ 0.01581 -0.03623 -0.10065 -0.13737 -0.06466 210 4XX -0.00024 -0.00157 -0.00131 0.00098 0.00061 211 4YY 0.00683 0.00873 0.00307 0.00184 -0.00119 212 4ZZ -0.00022 -0.00171 -0.00049 -0.00146 -0.00127 213 4XY -0.00031 -0.00180 -0.01497 0.00381 0.00313 214 4XZ 0.00060 -0.00008 -0.00200 -0.00117 -0.00021 215 4YZ 0.00168 -0.00416 -0.01069 -0.01464 -0.00681 41 42 43 44 45 O O O O O Eigenvalues -- -0.33445 -0.28741 -0.25599 -0.25577 -0.25008 1 1 C 1S -0.00224 -0.00310 -0.01208 -0.00010 0.01469 2 2S 0.01421 0.00728 0.02581 0.00117 -0.03278 3 2PX 0.10494 -0.02257 -0.16669 0.00668 0.01495 4 2PY 0.02170 -0.00794 0.03034 0.00402 -0.01722 5 2PZ 0.10358 0.00533 -0.14453 0.01387 -0.01562 6 3S -0.04558 0.01530 0.05106 -0.00920 -0.07307 7 3PX 0.05190 0.00341 -0.14302 0.00770 0.01331 8 3PY -0.02446 -0.01533 -0.01446 0.01608 -0.04168 9 3PZ 0.06368 0.00979 -0.08556 -0.00228 -0.00975 10 4XX 0.00929 -0.00292 -0.00178 -0.00191 0.01477 11 4YY -0.00009 0.00170 -0.00177 0.00109 -0.00687 12 4ZZ -0.01133 0.00192 0.00317 0.00013 -0.00263 13 4XY -0.00003 0.00053 -0.00161 -0.00035 0.00042 14 4XZ -0.00332 0.00154 0.00061 -0.00140 0.00968 15 4YZ 0.00397 -0.00065 -0.00034 -0.00028 0.00033 16 2 C 1S -0.00620 0.00380 0.00257 0.00143 -0.00152 17 2S 0.01259 -0.00786 -0.00830 -0.00214 -0.00386 18 2PX 0.13627 -0.01019 -0.05245 -0.01115 0.16238 19 2PY -0.05207 0.01510 0.00851 -0.00321 -0.01330 20 2PZ 0.20496 -0.04186 -0.09457 -0.01605 0.19272 21 3S 0.03474 -0.01758 0.04075 -0.01398 0.03320 22 3PX 0.07965 -0.01086 -0.06272 -0.00524 0.11111 23 3PY -0.02173 0.01153 0.01860 0.00095 -0.00665 24 3PZ 0.13247 -0.03007 -0.04922 -0.01309 0.14648 25 4XX -0.00499 0.00089 0.00716 -0.00023 -0.00036 26 4YY -0.00055 0.00010 -0.00064 -0.00006 -0.00136 27 4ZZ 0.00521 -0.00007 -0.00524 0.00073 -0.00062 28 4XY 0.00458 -0.00084 0.00270 -0.00108 0.00738 29 4XZ -0.00450 0.00063 0.00082 0.00001 0.00263 30 4YZ 0.00671 -0.00098 0.00649 -0.00075 0.00699 31 3 C 1S -0.00620 0.00380 -0.00256 0.00143 -0.00152 32 2S 0.01259 -0.00786 0.00830 -0.00215 -0.00386 33 2PX 0.13627 -0.01019 0.05242 -0.01121 0.16238 34 2PY 0.05207 -0.01510 0.00851 0.00320 0.01330 35 2PZ 0.20496 -0.04186 0.09454 -0.01616 0.19272 36 3S 0.03474 -0.01758 -0.04077 -0.01393 0.03320 37 3PX 0.07965 -0.01086 0.06270 -0.00531 0.11111 38 3PY 0.02173 -0.01153 0.01859 -0.00097 0.00665 39 3PZ 0.13247 -0.03007 0.04919 -0.01315 0.14648 40 4XX -0.00499 0.00089 -0.00716 -0.00023 -0.00036 41 4YY -0.00055 0.00010 0.00064 -0.00006 -0.00136 42 4ZZ 0.00521 -0.00007 0.00524 0.00072 -0.00062 43 4XY -0.00458 0.00084 0.00270 0.00107 -0.00738 44 4XZ -0.00450 0.00063 -0.00082 0.00001 0.00263 45 4YZ -0.00671 0.00098 0.00649 0.00074 -0.00699 46 4 C 1S -0.00224 -0.00310 0.01208 -0.00011 0.01469 47 2S 0.01421 0.00728 -0.02580 0.00120 -0.03278 48 2PX 0.10494 -0.02257 0.16669 0.00648 0.01495 49 2PY -0.02170 0.00794 0.03033 -0.00406 0.01722 50 2PZ 0.10358 0.00533 0.14454 0.01370 -0.01562 51 3S -0.04558 0.01530 -0.05107 -0.00914 -0.07308 52 3PX 0.05190 0.00341 0.14302 0.00753 0.01331 53 3PY 0.02446 0.01533 -0.01448 -0.01606 0.04168 54 3PZ 0.06368 0.00979 0.08556 -0.00238 -0.00975 55 4XX 0.00929 -0.00292 0.00177 -0.00191 0.01477 56 4YY -0.00009 0.00170 0.00177 0.00108 -0.00687 57 4ZZ -0.01133 0.00192 -0.00317 0.00013 -0.00263 58 4XY 0.00003 -0.00053 -0.00161 0.00035 -0.00042 59 4XZ -0.00332 0.00154 -0.00062 -0.00140 0.00968 60 4YZ -0.00397 0.00065 -0.00034 0.00028 -0.00033 61 5 H 1S -0.00734 0.01187 -0.01803 0.00420 -0.02233 62 2S -0.01585 -0.01429 -0.06851 0.03523 -0.04383 63 6 H 1S 0.00655 0.00182 0.01349 0.00264 -0.00874 64 2S 0.01245 0.00354 0.02182 0.00431 -0.00908 65 7 H 1S 0.00655 0.00182 -0.01348 0.00266 -0.00874 66 2S 0.01245 0.00354 -0.02181 0.00433 -0.00908 67 8 H 1S -0.00734 0.01187 0.01804 0.00418 -0.02233 68 2S -0.01585 -0.01429 0.06855 0.03515 -0.04383 69 9 C 1S -0.00274 0.00847 0.00000 -0.00334 0.01662 70 2S 0.00118 -0.01607 0.00001 0.00668 -0.05136 71 2PX -0.16281 0.08122 0.00000 -0.00356 -0.01670 72 2PY 0.00000 0.00000 0.02129 -0.00001 0.00000 73 2PZ -0.14229 -0.00200 -0.00001 -0.01586 0.06220 74 3S 0.03592 -0.05125 0.00001 0.01393 -0.01111 75 3PX -0.04669 0.04566 0.00000 -0.00054 -0.00422 76 3PY 0.00000 0.00000 0.02629 -0.00002 0.00000 77 3PZ -0.11016 -0.03205 0.00000 0.00025 -0.03602 78 4XX 0.00742 -0.00392 0.00000 -0.00066 0.00434 79 4YY 0.00390 0.00187 0.00000 0.00092 -0.00505 80 4ZZ -0.01369 0.00183 0.00000 -0.00141 0.00073 81 4XY 0.00000 0.00000 0.01059 -0.00001 0.00000 82 4XZ -0.01986 0.00526 0.00000 -0.00144 0.00370 83 4YZ 0.00000 0.00000 0.00694 0.00000 0.00000 84 10 H 1S 0.10083 -0.04449 0.00000 0.00417 0.00708 85 2S 0.14072 0.01803 0.00000 0.00167 0.02450 86 11 H 1S -0.16757 0.03076 -0.00001 -0.01162 0.02253 87 2S -0.16394 0.04603 -0.00002 -0.02096 0.08077 88 12 C 1S -0.00376 0.00171 0.02203 0.01774 -0.01663 89 2S 0.01219 -0.00522 -0.03696 -0.03347 0.02867 90 2PX -0.07545 0.01725 0.00840 0.05848 0.23336 91 2PY -0.02551 -0.00571 -0.01583 -0.14458 0.06182 92 2PZ -0.13453 0.01349 -0.16655 -0.06601 0.17928 93 3S 0.00419 -0.00958 -0.19033 -0.12714 0.09254 94 3PX -0.06372 0.01748 -0.01692 0.03856 0.16103 95 3PY -0.00945 -0.00717 0.04325 -0.07398 0.05134 96 3PZ -0.08007 0.02569 -0.11868 -0.04687 0.14855 97 4XX -0.00481 0.00006 -0.00249 -0.00125 -0.00582 98 4YY 0.00159 -0.00055 0.00325 0.00460 0.00031 99 4ZZ 0.00309 0.00049 0.00191 -0.00167 0.00260 100 4XY 0.00345 -0.00173 0.00110 -0.00068 -0.00823 101 4XZ -0.00257 0.00017 -0.00520 0.00154 -0.00221 102 4YZ 0.00159 -0.00186 -0.01134 0.00194 -0.00808 103 13 C 1S -0.00376 0.00171 -0.02201 0.01776 -0.01663 104 2S 0.01219 -0.00522 0.03692 -0.03351 0.02868 105 2PX -0.07545 0.01725 -0.00836 0.05849 0.23335 106 2PY 0.02551 0.00571 -0.01566 0.14460 -0.06183 107 2PZ -0.13453 0.01349 0.16646 -0.06620 0.17929 108 3S 0.00419 -0.00958 0.19018 -0.12736 0.09257 109 3PX -0.06372 0.01748 0.01695 0.03854 0.16102 110 3PY 0.00945 0.00717 0.04334 0.07393 -0.05133 111 3PZ -0.08007 0.02568 0.11861 -0.04701 0.14856 112 4XX -0.00481 0.00006 0.00249 -0.00125 -0.00582 113 4YY 0.00159 -0.00055 -0.00324 0.00460 0.00031 114 4ZZ 0.00309 0.00049 -0.00191 -0.00166 0.00260 115 4XY -0.00345 0.00173 0.00110 0.00068 0.00823 116 4XZ -0.00257 0.00017 0.00520 0.00153 -0.00221 117 4YZ -0.00159 0.00186 -0.01135 -0.00193 0.00808 118 14 C 1S 0.00318 -0.00002 0.00346 0.00091 0.00289 119 2S -0.00752 0.00326 -0.00997 -0.00302 -0.00220 120 2PX 0.00748 -0.03055 0.05893 -0.05255 -0.00989 121 2PY -0.02021 0.00385 -0.01387 -0.00110 -0.00052 122 2PZ 0.02301 -0.03495 -0.04635 0.03390 0.02441 123 3S -0.01499 -0.00567 -0.01060 0.00294 -0.02758 124 3PX 0.00593 -0.02047 -0.00039 0.04549 0.00108 125 3PY -0.00848 -0.00628 -0.00782 0.00406 -0.02405 126 3PZ 0.02293 -0.03990 -0.00693 -0.03278 0.00343 127 4XX -0.00705 -0.00597 0.00681 -0.00477 0.01238 128 4YY 0.00204 -0.00205 -0.00225 0.00189 -0.00470 129 4ZZ 0.00528 0.00911 -0.00531 0.00272 -0.00542 130 4XY -0.00034 0.01204 0.02348 -0.02616 0.00189 131 4XZ -0.00199 -0.00028 0.00445 -0.00088 0.00304 132 4YZ -0.00295 0.01879 -0.00672 0.01587 0.01354 133 15 C 1S 0.00149 -0.00126 0.02466 -0.01622 -0.00579 134 2S -0.00502 0.00186 -0.05210 0.03283 0.01322 135 2PX 0.06097 0.20297 -0.08490 0.06564 -0.02641 136 2PY 0.00644 -0.01328 0.03013 -0.14139 -0.01970 137 2PZ 0.08654 0.25865 0.05942 -0.06107 -0.08578 138 3S -0.00166 0.01716 -0.17517 0.11434 0.04007 139 3PX 0.03975 0.14217 -0.04587 0.04290 -0.01923 140 3PY 0.00260 -0.00900 -0.03234 -0.06433 -0.01426 141 3PZ 0.05521 0.18167 0.02123 -0.03881 -0.05953 142 4XX 0.00049 0.00141 0.00076 0.00188 0.00154 143 4YY 0.00006 -0.00037 0.00237 -0.00376 0.00008 144 4ZZ -0.00068 -0.00041 0.00035 0.00156 -0.00152 145 4XY 0.00226 0.00956 0.00646 0.00150 -0.00165 146 4XZ 0.00137 0.00023 0.00053 -0.00206 0.00103 147 4YZ 0.00308 0.01268 -0.00368 -0.00255 -0.00197 148 16 C 1S 0.00149 -0.00126 -0.02468 -0.01619 -0.00579 149 2S -0.00502 0.00186 0.05214 0.03277 0.01322 150 2PX 0.06097 0.20297 0.08498 0.06554 -0.02639 151 2PY -0.00644 0.01328 0.03029 0.14136 0.01970 152 2PZ 0.08654 0.25865 -0.05948 -0.06100 -0.08579 153 3S -0.00166 0.01716 0.17530 0.11413 0.04010 154 3PX 0.03975 0.14217 0.04592 0.04284 -0.01922 155 3PY -0.00260 0.00899 -0.03226 0.06437 0.01425 156 3PZ 0.05521 0.18167 -0.02127 -0.03878 -0.05954 157 4XX 0.00049 0.00141 -0.00076 0.00188 0.00154 158 4YY 0.00006 -0.00037 -0.00238 -0.00376 0.00008 159 4ZZ -0.00068 -0.00041 -0.00035 0.00156 -0.00152 160 4XY -0.00226 -0.00956 0.00646 -0.00151 0.00165 161 4XZ 0.00137 0.00023 -0.00053 -0.00205 0.00103 162 4YZ -0.00308 -0.01268 -0.00368 0.00255 0.00197 163 17 C 1S 0.00318 -0.00002 -0.00345 0.00091 0.00289 164 2S -0.00752 0.00326 0.00997 -0.00303 -0.00220 165 2PX 0.00748 -0.03055 -0.05899 -0.05248 -0.00990 166 2PY 0.02021 -0.00385 -0.01387 0.00112 0.00052 167 2PZ 0.02301 -0.03495 0.04639 0.03385 0.02442 168 3S -0.01499 -0.00567 0.01060 0.00293 -0.02758 169 3PX 0.00593 -0.02047 0.00044 0.04549 0.00108 170 3PY 0.00848 0.00628 -0.00782 -0.00405 0.02405 171 3PZ 0.02293 -0.03990 0.00689 -0.03279 0.00343 172 4XX -0.00705 -0.00597 -0.00682 -0.00476 0.01238 173 4YY 0.00204 -0.00205 0.00225 0.00189 -0.00470 174 4ZZ 0.00528 0.00911 0.00532 0.00271 -0.00542 175 4XY 0.00034 -0.01204 0.02351 0.02613 -0.00189 176 4XZ -0.00199 -0.00028 -0.00445 -0.00087 0.00304 177 4YZ 0.00295 -0.01879 -0.00674 -0.01586 -0.01354 178 18 H 1S 0.03793 -0.00391 0.08171 -0.01829 0.01596 179 2S 0.02331 0.01345 0.10517 0.01150 0.00397 180 19 H 1S 0.03793 -0.00391 -0.08173 -0.01819 0.01595 181 2S 0.02331 0.01345 -0.10515 0.01162 0.00396 182 20 H 1S -0.00382 0.00039 0.03854 0.02166 -0.00482 183 2S -0.00291 -0.00253 0.07253 -0.00576 -0.01360 184 21 H 1S -0.00382 0.00039 -0.03852 0.02170 -0.00483 185 2S -0.00291 -0.00253 -0.07254 -0.00567 -0.01361 186 22 O 1S 0.00079 -0.00005 0.00015 0.00007 0.00089 187 2S -0.00008 0.00233 -0.00162 -0.00100 -0.00097 188 2PX 0.02115 -0.13855 0.28128 0.36069 -0.04744 189 2PY -0.01200 -0.03451 0.02933 0.01504 0.00192 190 2PZ 0.05081 -0.22520 -0.06662 -0.22528 -0.13314 191 3S -0.00767 -0.00809 0.00410 0.00331 -0.01281 192 3PX 0.01301 -0.09986 0.20425 0.25743 -0.03766 193 3PY -0.00581 -0.02215 0.01938 0.01010 0.00227 194 3PZ 0.03192 -0.15989 -0.04777 -0.15894 -0.10230 195 4XX -0.00029 -0.00124 0.00068 0.00176 0.00143 196 4YY 0.00058 0.00303 -0.00203 -0.00121 0.00077 197 4ZZ 0.00133 -0.00009 0.00016 -0.00134 -0.00090 198 4XY -0.00123 0.00684 -0.00982 -0.01259 0.00255 199 4XZ 0.00018 -0.00183 0.00025 0.00026 -0.00081 200 4YZ -0.00270 0.01074 0.00134 0.00776 0.00515 201 23 O 1S 0.00079 -0.00005 -0.00015 0.00007 0.00089 202 2S -0.00008 0.00233 0.00162 -0.00100 -0.00097 203 2PX 0.02115 -0.13855 -0.28085 0.36101 -0.04748 204 2PY 0.01200 0.03451 0.02931 -0.01507 -0.00191 205 2PZ 0.05081 -0.22520 0.06636 -0.22535 -0.13312 206 3S -0.00767 -0.00809 -0.00409 0.00331 -0.01281 207 3PX 0.01301 -0.09986 -0.20394 0.25767 -0.03769 208 3PY 0.00581 0.02215 0.01937 -0.01012 -0.00227 209 3PZ 0.03192 -0.15989 0.04759 -0.15899 -0.10229 210 4XX -0.00029 -0.00124 -0.00068 0.00176 0.00143 211 4YY 0.00058 0.00303 0.00203 -0.00121 0.00077 212 4ZZ 0.00133 -0.00009 -0.00017 -0.00134 -0.00090 213 4XY 0.00123 -0.00684 -0.00980 0.01260 -0.00255 214 4XZ 0.00018 -0.00183 -0.00025 0.00027 -0.00081 215 4YZ 0.00270 -0.01074 0.00133 -0.00776 -0.00515 46 47 48 49 50 O V V V V Eigenvalues -- -0.24350 -0.09990 -0.03683 -0.01299 0.03531 1 1 C 1S 0.01316 0.01390 0.02131 -0.00321 -0.00742 2 2S -0.02755 -0.03288 -0.02875 0.02803 0.01996 3 2PX 0.17753 0.07995 0.24441 -0.00140 -0.08075 4 2PY -0.04977 -0.02594 -0.01174 -0.00175 0.01229 5 2PZ 0.13864 0.05535 0.25754 -0.03076 -0.09108 6 3S -0.03357 -0.06083 -0.19708 -0.12221 0.01358 7 3PX 0.14708 0.06518 0.26250 -0.01338 -0.16685 8 3PY -0.00999 -0.03700 -0.06399 -0.04297 -0.07452 9 3PZ 0.11112 0.06366 0.33403 -0.03222 -0.07942 10 4XX 0.00419 0.00840 0.00067 -0.01520 0.00128 11 4YY 0.00250 -0.00105 -0.00011 0.00329 -0.00039 12 4ZZ -0.00538 -0.00410 0.00748 0.00894 -0.00449 13 4XY 0.00152 0.00040 -0.00062 -0.00034 0.00522 14 4XZ 0.00040 0.00508 0.00092 -0.01201 -0.00565 15 4YZ -0.00042 -0.00090 -0.00201 -0.00058 0.00267 16 2 C 1S -0.00353 -0.00160 -0.00189 0.00013 -0.00465 17 2S 0.01342 0.00254 -0.00190 0.00036 0.01964 18 2PX 0.06420 0.06813 -0.11783 -0.18001 -0.00698 19 2PY -0.01348 -0.00616 0.00592 -0.00523 -0.00857 20 2PZ 0.11087 0.08721 -0.11500 -0.17856 0.02664 21 3S -0.04398 0.00880 0.05276 0.04838 0.05849 22 3PX 0.07773 0.06802 -0.17776 -0.26315 -0.00540 23 3PY -0.03724 -0.02285 0.00394 0.03310 -0.00497 24 3PZ 0.06104 0.09092 -0.14430 -0.20479 0.07217 25 4XX -0.00713 -0.00348 -0.01530 0.00068 0.00445 26 4YY 0.00096 0.00000 -0.00014 0.00197 0.00185 27 4ZZ 0.00538 0.00258 0.01462 -0.00121 -0.00340 28 4XY -0.00310 -0.00330 -0.00816 0.00925 0.00139 29 4XZ -0.00129 0.00021 -0.00266 -0.00140 -0.00185 30 4YZ -0.00770 -0.00541 -0.01048 0.00920 0.00419 31 3 C 1S 0.00353 0.00160 -0.00189 -0.00013 -0.00465 32 2S -0.01342 -0.00254 -0.00190 -0.00036 0.01964 33 2PX -0.06421 -0.06813 -0.11783 0.18000 -0.00698 34 2PY -0.01348 -0.00616 -0.00592 -0.00523 0.00858 35 2PZ -0.11088 -0.08721 -0.11501 0.17855 0.02664 36 3S 0.04398 -0.00880 0.05276 -0.04838 0.05849 37 3PX -0.07773 -0.06803 -0.17776 0.26315 -0.00541 38 3PY -0.03724 -0.02285 -0.00394 0.03310 0.00497 39 3PZ -0.06105 -0.09092 -0.14431 0.20479 0.07217 40 4XX 0.00713 0.00348 -0.01530 -0.00068 0.00445 41 4YY -0.00096 0.00000 -0.00014 -0.00197 0.00185 42 4ZZ -0.00538 -0.00258 0.01462 0.00121 -0.00340 43 4XY -0.00310 -0.00330 0.00816 0.00925 -0.00139 44 4XZ 0.00129 -0.00021 -0.00266 0.00140 -0.00185 45 4YZ -0.00770 -0.00541 0.01048 0.00920 -0.00419 46 4 C 1S -0.01316 -0.01390 0.02131 0.00321 -0.00742 47 2S 0.02755 0.03288 -0.02875 -0.02803 0.01995 48 2PX -0.17753 -0.07995 0.24441 0.00141 -0.08075 49 2PY -0.04977 -0.02594 0.01174 -0.00175 -0.01229 50 2PZ -0.13864 -0.05535 0.25754 0.03077 -0.09107 51 3S 0.03357 0.06083 -0.19709 0.12221 0.01358 52 3PX -0.14708 -0.06518 0.26250 0.01339 -0.16685 53 3PY -0.00999 -0.03700 0.06399 -0.04296 0.07452 54 3PZ -0.11112 -0.06366 0.33403 0.03223 -0.07942 55 4XX -0.00419 -0.00840 0.00067 0.01520 0.00128 56 4YY -0.00250 0.00105 -0.00011 -0.00329 -0.00039 57 4ZZ 0.00538 0.00410 0.00748 -0.00894 -0.00449 58 4XY 0.00152 0.00040 0.00062 -0.00034 -0.00522 59 4XZ -0.00040 -0.00508 0.00092 0.01201 -0.00565 60 4YZ -0.00042 -0.00090 0.00201 -0.00058 -0.00267 61 5 H 1S 0.02464 -0.00210 0.00857 0.01995 -0.00748 62 2S 0.03605 -0.02912 0.00571 0.03267 -0.10094 63 6 H 1S -0.01306 -0.00824 -0.00312 0.00452 0.00327 64 2S -0.03171 -0.01571 0.00729 0.02969 0.02082 65 7 H 1S 0.01306 0.00824 -0.00312 -0.00452 0.00327 66 2S 0.03171 0.01571 0.00729 -0.02969 0.02082 67 8 H 1S -0.02464 0.00210 0.00857 -0.01995 -0.00748 68 2S -0.03605 0.02912 0.00570 -0.03267 -0.10094 69 9 C 1S 0.00000 0.00000 -0.00486 0.00000 0.00299 70 2S 0.00000 0.00000 0.00512 0.00000 -0.01612 71 2PX 0.00000 0.00000 0.01060 0.00000 0.01727 72 2PY 0.01336 0.04313 0.00000 -0.07452 0.00000 73 2PZ 0.00000 0.00000 -0.03263 0.00000 -0.00500 74 3S 0.00000 0.00000 0.06174 0.00000 0.01445 75 3PX 0.00000 0.00000 0.04226 0.00000 0.01304 76 3PY 0.01312 -0.00604 0.00000 -0.15169 0.00000 77 3PZ 0.00000 0.00000 -0.05143 0.00000 -0.08093 78 4XX 0.00000 0.00000 0.00982 0.00000 -0.00389 79 4YY 0.00000 0.00000 0.01013 0.00000 -0.00274 80 4ZZ 0.00000 0.00000 -0.02193 0.00000 0.00520 81 4XY -0.00985 -0.00171 0.00000 0.00045 0.00000 82 4XZ 0.00000 0.00000 -0.01531 0.00000 0.00431 83 4YZ -0.00798 -0.00336 0.00000 -0.00110 0.00000 84 10 H 1S 0.00000 0.00000 0.05437 0.00000 -0.03616 85 2S 0.00000 0.00000 0.15786 0.00000 -0.02058 86 11 H 1S 0.00000 0.00000 -0.11571 0.00000 0.04516 87 2S 0.00000 0.00000 -0.28991 0.00000 0.15011 88 12 C 1S 0.02794 0.01035 -0.01065 -0.02833 0.01537 89 2S -0.05709 -0.01704 0.03660 0.05547 -0.02300 90 2PX 0.14244 -0.09309 0.06776 0.20338 -0.14225 91 2PY -0.04083 -0.02112 0.01030 0.03902 -0.05005 92 2PZ 0.02138 -0.06579 0.08548 0.16821 -0.11652 93 3S -0.20125 -0.06006 -0.02752 0.12548 -0.17797 94 3PX 0.09681 -0.07875 0.11623 0.28371 -0.19109 95 3PY 0.03321 0.00035 -0.01368 0.11861 -0.09249 96 3PZ 0.03697 -0.08737 0.10114 0.16479 -0.11831 97 4XX 0.00308 0.01076 -0.00866 -0.00665 -0.01327 98 4YY 0.00159 -0.00087 0.00268 -0.00207 0.00072 99 4ZZ 0.00344 -0.00574 0.00209 0.00099 0.01818 100 4XY 0.00889 -0.00457 -0.00618 0.01023 0.01367 101 4XZ 0.00529 0.00589 -0.01586 -0.00012 -0.00147 102 4YZ 0.00166 -0.00369 -0.00424 0.00828 0.01496 103 13 C 1S -0.02793 -0.01035 -0.01065 0.02832 0.01537 104 2S 0.05709 0.01704 0.03661 -0.05547 -0.02300 105 2PX -0.14245 0.09309 0.06777 -0.20338 -0.14225 106 2PY -0.04082 -0.02112 -0.01030 0.03902 0.05005 107 2PZ -0.02139 0.06579 0.08548 -0.16821 -0.11652 108 3S 0.20124 0.06006 -0.02752 -0.12548 -0.17796 109 3PX -0.09682 0.07875 0.11623 -0.28371 -0.19109 110 3PY 0.03322 0.00035 0.01368 0.11861 0.09249 111 3PZ -0.03698 0.08737 0.10114 -0.16479 -0.11831 112 4XX -0.00308 -0.01076 -0.00866 0.00665 -0.01327 113 4YY -0.00159 0.00087 0.00268 0.00207 0.00072 114 4ZZ -0.00344 0.00574 0.00209 -0.00099 0.01818 115 4XY 0.00889 -0.00456 0.00618 0.01023 -0.01367 116 4XZ -0.00529 -0.00589 -0.01586 0.00012 -0.00147 117 4YZ 0.00166 -0.00369 0.00424 0.00828 -0.01496 118 14 C 1S -0.00396 0.00331 -0.00756 -0.00921 0.00142 119 2S 0.01351 -0.00856 0.02408 0.02331 -0.01040 120 2PX 0.08417 0.11935 0.10297 0.03183 0.19127 121 2PY 0.00942 -0.03386 0.00508 0.02338 -0.04192 122 2PZ -0.06257 0.19230 0.08898 -0.03247 0.31040 123 3S -0.00738 -0.03157 0.03797 0.04168 0.02996 124 3PX 0.01024 0.09621 0.09623 -0.00146 0.25213 125 3PY -0.00459 -0.02047 0.04887 -0.04226 -0.07915 126 3PZ -0.00544 0.13230 0.08533 -0.01964 0.33903 127 4XX -0.00053 -0.00322 0.00449 -0.02231 -0.00185 128 4YY 0.00045 -0.00456 -0.00091 0.00260 -0.00033 129 4ZZ 0.00030 0.00673 -0.00326 0.01807 0.00289 130 4XY 0.01701 0.01336 0.00626 0.00339 0.00773 131 4XZ -0.00266 0.00034 0.00033 -0.00445 0.00304 132 4YZ -0.01994 0.02037 0.00700 -0.00210 0.00864 133 15 C 1S 0.02583 -0.00162 0.00340 0.00476 -0.00123 134 2S -0.05208 -0.00068 -0.00780 -0.01564 0.00458 135 2PX -0.08510 0.14137 -0.05273 0.13641 -0.08409 136 2PY 0.03269 -0.00614 0.00726 0.01407 0.01185 137 2PZ 0.05946 0.17839 -0.05798 0.20976 -0.08534 138 3S -0.19544 0.02021 -0.01505 0.01570 0.03481 139 3PX -0.04092 0.15903 -0.05836 0.22540 -0.10740 140 3PY -0.03914 -0.01920 -0.00543 0.04873 -0.00704 141 3PZ 0.02354 0.19071 -0.04499 0.27381 -0.10901 142 4XX 0.00102 0.00574 0.00727 0.00114 0.01503 143 4YY 0.00224 0.00068 -0.00043 -0.00137 0.00200 144 4ZZ 0.00139 -0.00800 -0.00608 0.00015 -0.01653 145 4XY 0.00621 -0.00988 -0.00372 -0.00739 -0.01198 146 4XZ -0.00050 0.00313 0.00249 -0.00107 0.00560 147 4YZ -0.00458 -0.01089 -0.00440 -0.01284 -0.01101 148 16 C 1S -0.02583 0.00162 0.00340 -0.00476 -0.00123 149 2S 0.05208 0.00068 -0.00780 0.01564 0.00458 150 2PX 0.08511 -0.14137 -0.05272 -0.13641 -0.08409 151 2PY 0.03269 -0.00614 -0.00726 0.01407 -0.01185 152 2PZ -0.05946 -0.17839 -0.05797 -0.20976 -0.08534 153 3S 0.19544 -0.02021 -0.01505 -0.01570 0.03481 154 3PX 0.04092 -0.15903 -0.05835 -0.22541 -0.10740 155 3PY -0.03914 -0.01920 0.00543 0.04873 0.00704 156 3PZ -0.02354 -0.19071 -0.04499 -0.27382 -0.10901 157 4XX -0.00102 -0.00574 0.00727 -0.00114 0.01503 158 4YY -0.00224 -0.00068 -0.00043 0.00138 0.00200 159 4ZZ -0.00139 0.00800 -0.00608 -0.00015 -0.01653 160 4XY 0.00621 -0.00988 0.00372 -0.00739 0.01198 161 4XZ 0.00050 -0.00313 0.00249 0.00107 0.00560 162 4YZ -0.00458 -0.01089 0.00440 -0.01284 0.01101 163 17 C 1S 0.00396 -0.00331 -0.00756 0.00921 0.00142 164 2S -0.01351 0.00856 0.02408 -0.02331 -0.01040 165 2PX -0.08417 -0.11935 0.10297 -0.03183 0.19127 166 2PY 0.00942 -0.03386 -0.00508 0.02338 0.04192 167 2PZ 0.06257 -0.19230 0.08898 0.03247 0.31040 168 3S 0.00738 0.03157 0.03797 -0.04168 0.02996 169 3PX -0.01024 -0.09621 0.09623 0.00147 0.25213 170 3PY -0.00459 -0.02047 -0.04887 -0.04227 0.07915 171 3PZ 0.00544 -0.13230 0.08533 0.01964 0.33903 172 4XX 0.00053 0.00322 0.00449 0.02231 -0.00186 173 4YY -0.00045 0.00456 -0.00091 -0.00260 -0.00033 174 4ZZ -0.00030 -0.00673 -0.00326 -0.01807 0.00289 175 4XY 0.01701 0.01336 -0.00626 0.00339 -0.00773 176 4XZ 0.00266 -0.00033 0.00033 0.00445 0.00304 177 4YZ -0.01994 0.02037 -0.00700 -0.00210 -0.00864 178 18 H 1S -0.00219 -0.01966 0.03005 -0.01440 0.01398 179 2S 0.04368 -0.03537 0.10961 -0.14036 0.13980 180 19 H 1S 0.00219 0.01966 0.03005 0.01440 0.01398 181 2S -0.04368 0.03537 0.10961 0.14036 0.13980 182 20 H 1S 0.04006 -0.00753 -0.00061 0.00818 -0.00902 183 2S 0.08149 -0.01741 -0.00062 0.05050 -0.05786 184 21 H 1S -0.04006 0.00753 -0.00061 -0.00818 -0.00902 185 2S -0.08149 0.01741 -0.00062 -0.05050 -0.05786 186 22 O 1S -0.00021 0.00108 -0.00186 -0.00105 0.00084 187 2S 0.00018 -0.00366 -0.00124 -0.00449 0.00442 188 2PX 0.18340 0.15889 -0.06168 0.02290 -0.12816 189 2PY -0.00333 0.03589 -0.00875 0.00359 -0.02873 190 2PZ -0.23347 0.22948 -0.07217 -0.01491 -0.20055 191 3S 0.00171 -0.00630 0.04387 0.04251 -0.03715 192 3PX 0.13570 0.14006 -0.06910 0.01675 -0.14829 193 3PY -0.00161 0.03284 -0.02379 -0.00994 -0.01857 194 3PZ -0.17190 0.20255 -0.07469 -0.01507 -0.22486 195 4XX 0.00129 0.00121 -0.00219 0.00142 0.00232 196 4YY 0.00008 -0.00168 -0.00076 -0.00138 -0.00005 197 4ZZ -0.00177 -0.00065 -0.00216 -0.00578 0.00284 198 4XY -0.00501 -0.00203 -0.00049 0.00087 -0.00163 199 4XZ 0.00004 0.00106 -0.00044 0.00078 0.00083 200 4YZ 0.00772 -0.00269 -0.00023 -0.00084 -0.00394 201 23 O 1S 0.00021 -0.00108 -0.00186 0.00105 0.00085 202 2S -0.00018 0.00366 -0.00124 0.00449 0.00442 203 2PX -0.18339 -0.15889 -0.06168 -0.02290 -0.12816 204 2PY -0.00333 0.03589 0.00875 0.00359 0.02873 205 2PZ 0.23348 -0.22948 -0.07217 0.01491 -0.20055 206 3S -0.00171 0.00630 0.04388 -0.04251 -0.03715 207 3PX -0.13570 -0.14006 -0.06910 -0.01675 -0.14829 208 3PY -0.00160 0.03284 0.02379 -0.00994 0.01857 209 3PZ 0.17191 -0.20255 -0.07469 0.01507 -0.22486 210 4XX -0.00129 -0.00121 -0.00219 -0.00142 0.00232 211 4YY -0.00008 0.00168 -0.00076 0.00138 -0.00005 212 4ZZ 0.00177 0.00065 -0.00216 0.00578 0.00284 213 4XY -0.00501 -0.00203 0.00049 0.00087 0.00163 214 4XZ -0.00004 -0.00106 -0.00044 -0.00078 0.00083 215 4YZ 0.00772 -0.00269 0.00023 -0.00084 0.00394 51 52 53 54 55 V V V V V Eigenvalues -- 0.06751 0.09522 0.10486 0.12823 0.13238 1 1 C 1S 0.03648 0.03888 -0.01203 0.00604 0.00186 2 2S -0.05726 -0.08129 0.03347 -0.00416 0.02907 3 2PX 0.20314 0.00680 -0.01826 0.00613 0.00918 4 2PY -0.03054 0.10728 -0.06730 -0.03746 -0.02802 5 2PZ 0.12262 -0.04612 0.00083 -0.00607 -0.03941 6 3S -0.44187 -0.48560 0.06812 -0.15401 -0.12734 7 3PX 0.33131 0.06993 -0.01632 0.05716 0.00650 8 3PY -0.10236 0.24069 -0.28329 -0.23049 -0.21715 9 3PZ 0.17263 -0.11735 -0.01259 -0.09551 -0.34167 10 4XX -0.00836 -0.00203 0.00322 0.00362 -0.00322 11 4YY -0.00088 0.01470 -0.00688 -0.00263 0.00609 12 4ZZ 0.01834 -0.00753 0.00228 -0.00043 0.00217 13 4XY -0.00329 0.00765 -0.00637 -0.00549 0.00948 14 4XZ 0.00067 0.00465 -0.00112 0.00010 -0.00287 15 4YZ -0.00182 -0.00444 0.00363 0.00358 0.00430 16 2 C 1S 0.00924 0.03758 -0.01826 -0.00739 0.02399 17 2S -0.02598 -0.07609 0.01461 -0.00145 -0.00289 18 2PX -0.19550 -0.08070 0.06238 0.03161 -0.02300 19 2PY -0.00576 0.09204 -0.03612 0.00159 0.08138 20 2PZ -0.20152 0.09867 -0.01983 0.01017 0.09576 21 3S -0.04502 -0.60423 0.33564 0.11501 -0.54052 22 3PX -0.38426 -0.18901 0.06968 0.00733 -0.08470 23 3PY 0.02127 0.21485 -0.07996 -0.00450 0.25886 24 3PZ -0.30506 0.20897 -0.07007 -0.01165 0.15818 25 4XX -0.00885 0.00108 -0.00314 -0.00546 0.00441 26 4YY 0.00308 -0.00233 -0.00058 0.00065 0.00599 27 4ZZ 0.00647 0.00118 -0.00150 0.00022 0.00021 28 4XY 0.00958 -0.01127 0.01033 0.00778 0.00115 29 4XZ 0.00097 -0.00172 0.00543 0.00522 -0.00281 30 4YZ 0.00814 0.01239 -0.00430 -0.00101 0.00726 31 3 C 1S -0.00924 0.03758 -0.01826 -0.00739 0.02399 32 2S 0.02598 -0.07609 0.01461 -0.00145 -0.00289 33 2PX 0.19550 -0.08070 0.06238 0.03162 -0.02300 34 2PY -0.00576 -0.09204 0.03612 -0.00159 -0.08138 35 2PZ 0.20152 0.09867 -0.01982 0.01017 0.09577 36 3S 0.04502 -0.60423 0.33564 0.11501 -0.54052 37 3PX 0.38426 -0.18901 0.06969 0.00733 -0.08470 38 3PY 0.02127 -0.21485 0.07996 0.00450 -0.25886 39 3PZ 0.30506 0.20897 -0.07007 -0.01163 0.15819 40 4XX 0.00886 0.00108 -0.00314 -0.00546 0.00441 41 4YY -0.00308 -0.00233 -0.00058 0.00065 0.00599 42 4ZZ -0.00647 0.00118 -0.00150 0.00022 0.00021 43 4XY 0.00958 0.01127 -0.01033 -0.00778 -0.00115 44 4XZ -0.00097 -0.00172 0.00543 0.00522 -0.00281 45 4YZ 0.00814 -0.01239 0.00430 0.00101 -0.00726 46 4 C 1S -0.03648 0.03888 -0.01203 0.00604 0.00186 47 2S 0.05726 -0.08129 0.03347 -0.00416 0.02907 48 2PX -0.20315 0.00680 -0.01826 0.00613 0.00918 49 2PY -0.03054 -0.10728 0.06730 0.03745 0.02802 50 2PZ -0.12262 -0.04612 0.00083 -0.00608 -0.03941 51 3S 0.44188 -0.48560 0.06812 -0.15403 -0.12734 52 3PX -0.33131 0.06993 -0.01633 0.05715 0.00649 53 3PY -0.10237 -0.24069 0.28328 0.23049 0.21715 54 3PZ -0.17264 -0.11735 -0.01260 -0.09552 -0.34167 55 4XX 0.00836 -0.00203 0.00322 0.00362 -0.00322 56 4YY 0.00088 0.01470 -0.00688 -0.00263 0.00609 57 4ZZ -0.01834 -0.00753 0.00228 -0.00043 0.00217 58 4XY -0.00329 -0.00765 0.00637 0.00549 -0.00948 59 4XZ -0.00067 0.00465 -0.00112 0.00010 -0.00287 60 4YZ -0.00182 0.00444 -0.00363 -0.00359 -0.00430 61 5 H 1S 0.00152 0.05640 -0.02690 -0.00973 0.02350 62 2S 0.11215 0.69983 -0.38647 -0.12823 -0.06939 63 6 H 1S -0.00234 0.04650 -0.05029 -0.04376 0.01725 64 2S 0.07387 0.84360 -0.39946 -0.12797 0.58753 65 7 H 1S 0.00234 0.04650 -0.05029 -0.04376 0.01725 66 2S -0.07387 0.84360 -0.39946 -0.12796 0.58754 67 8 H 1S -0.00152 0.05640 -0.02690 -0.00973 0.02350 68 2S -0.11215 0.69983 -0.38646 -0.12822 -0.06939 69 9 C 1S 0.00000 0.03823 -0.02321 -0.02959 -0.10779 70 2S 0.00000 -0.05506 0.01454 0.02028 0.10203 71 2PX 0.00000 0.04319 -0.04236 -0.05403 0.09212 72 2PY -0.07587 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 -0.08956 -0.00636 -0.02462 0.28609 74 3S 0.00000 -0.56216 0.51844 0.63972 2.10544 75 3PX 0.00000 0.03705 -0.03275 -0.06332 0.41613 76 3PY -0.25836 0.00000 0.00000 0.00000 0.00000 77 3PZ 0.00000 -0.17410 -0.15971 -0.20806 0.66827 78 4XX 0.00000 0.00912 -0.00278 -0.00155 -0.00729 79 4YY 0.00000 -0.01246 0.00367 -0.00180 -0.01058 80 4ZZ 0.00000 0.01032 -0.00311 -0.00151 -0.00388 81 4XY -0.01441 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 -0.00468 0.00900 0.00651 -0.00859 83 4YZ -0.01510 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.03406 -0.02543 -0.01850 -0.00279 85 2S 0.00000 0.44377 -0.30007 -0.32055 -0.59371 86 11 H 1S 0.00000 0.02689 0.01460 0.01706 -0.05336 87 2S 0.00000 0.41847 0.02264 0.06658 -1.75156 88 12 C 1S 0.00168 0.02556 0.03433 0.02975 -0.00382 89 2S -0.00768 -0.04303 -0.07355 -0.03511 0.03326 90 2PX -0.06343 -0.02105 -0.02897 -0.10613 -0.00197 91 2PY -0.01930 -0.04268 -0.04527 -0.06810 -0.01968 92 2PZ -0.10755 0.06317 0.06857 0.17202 0.02669 93 3S 0.06883 -0.35161 -0.44037 -0.67092 -0.04473 94 3PX -0.12878 -0.13321 -0.08302 -0.22626 -0.04980 95 3PY -0.03861 -0.14920 -0.17367 -0.26784 -0.01262 96 3PZ -0.24971 0.19104 0.18889 0.38520 0.06732 97 4XX 0.00526 0.00353 0.00422 0.00085 0.00178 98 4YY -0.00202 -0.00159 -0.00624 -0.00020 0.00658 99 4ZZ 0.00082 0.00444 0.00569 0.00486 -0.00548 100 4XY -0.00145 0.00259 0.00987 0.01033 0.00241 101 4XZ 0.01114 -0.00171 -0.00597 0.00132 -0.00276 102 4YZ -0.00627 -0.00668 -0.00876 -0.01425 0.00279 103 13 C 1S -0.00168 0.02556 0.03433 0.02975 -0.00382 104 2S 0.00768 -0.04303 -0.07355 -0.03511 0.03327 105 2PX 0.06342 -0.02105 -0.02896 -0.10613 -0.00197 106 2PY -0.01930 0.04268 0.04527 0.06810 0.01968 107 2PZ 0.10755 0.06317 0.06857 0.17202 0.02669 108 3S -0.06883 -0.35161 -0.44037 -0.67091 -0.04473 109 3PX 0.12878 -0.13320 -0.08301 -0.22623 -0.04979 110 3PY -0.03861 0.14920 0.17366 0.26782 0.01261 111 3PZ 0.24971 0.19104 0.18889 0.38519 0.06732 112 4XX -0.00526 0.00353 0.00422 0.00085 0.00178 113 4YY 0.00202 -0.00159 -0.00624 -0.00020 0.00658 114 4ZZ -0.00082 0.00444 0.00569 0.00486 -0.00548 115 4XY -0.00145 -0.00259 -0.00987 -0.01033 -0.00241 116 4XZ -0.01114 -0.00171 -0.00597 0.00132 -0.00276 117 4YZ -0.00627 0.00668 0.00876 0.01425 -0.00279 118 14 C 1S -0.00607 0.00524 0.01160 0.00399 0.00248 119 2S 0.02998 -0.02947 -0.02827 -0.00118 0.02051 120 2PX 0.11008 -0.02103 -0.00270 -0.09536 0.00754 121 2PY 0.00244 0.00400 0.02340 0.00838 0.00921 122 2PZ 0.11424 -0.02688 -0.00169 0.01413 0.03307 123 3S -0.02893 0.07253 -0.04924 -0.09442 -0.13933 124 3PX 0.05692 -0.05445 -0.03411 0.00262 0.02216 125 3PY 0.05222 -0.13328 0.06595 0.04706 0.00374 126 3PZ 0.11277 -0.01211 0.01578 -0.09892 0.01683 127 4XX 0.01204 -0.00579 -0.01263 0.00094 0.00115 128 4YY -0.00037 0.01309 0.02537 0.00063 0.00266 129 4ZZ -0.01040 -0.00472 -0.00992 -0.00169 -0.00223 130 4XY 0.00171 0.00297 0.00040 0.00898 -0.00105 131 4XZ 0.00238 0.00726 0.00489 -0.00046 -0.00515 132 4YZ 0.00365 0.00228 0.00412 -0.00441 -0.00046 133 15 C 1S 0.00382 0.02084 0.04527 -0.02700 -0.00196 134 2S -0.00245 -0.05818 -0.06621 0.04138 0.03845 135 2PX -0.11476 0.00958 0.12309 -0.12938 0.04313 136 2PY 0.00414 0.03197 0.08881 -0.07674 0.01125 137 2PZ -0.14852 -0.03596 -0.07563 0.12401 0.01429 138 3S -0.07902 -0.25380 -0.76639 0.61592 -0.04132 139 3PX -0.19554 0.08479 0.26289 -0.26706 0.04372 140 3PY -0.01124 0.14274 0.32237 -0.27907 -0.00057 141 3PZ -0.22025 -0.06754 -0.18291 0.22553 -0.02238 142 4XX 0.00627 0.00342 0.00866 -0.00173 -0.00022 143 4YY 0.00036 -0.00584 -0.00258 0.00140 0.00610 144 4ZZ -0.00506 0.00166 0.00300 -0.00019 0.00027 145 4XY 0.00535 0.00522 0.01484 -0.00945 0.00051 146 4XZ 0.00126 0.00067 -0.00924 -0.00418 -0.00702 147 4YZ 0.00704 -0.00323 -0.00996 0.01129 -0.00019 148 16 C 1S -0.00382 0.02084 0.04527 -0.02700 -0.00196 149 2S 0.00245 -0.05818 -0.06621 0.04137 0.03845 150 2PX 0.11476 0.00958 0.12309 -0.12938 0.04313 151 2PY 0.00414 -0.03197 -0.08881 0.07674 -0.01125 152 2PZ 0.14852 -0.03596 -0.07563 0.12401 0.01428 153 3S 0.07903 -0.25380 -0.76638 0.61593 -0.04131 154 3PX 0.19553 0.08479 0.26289 -0.26705 0.04372 155 3PY -0.01124 -0.14274 -0.32237 0.27906 0.00057 156 3PZ 0.22025 -0.06754 -0.18291 0.22551 -0.02239 157 4XX -0.00627 0.00342 0.00866 -0.00173 -0.00022 158 4YY -0.00036 -0.00584 -0.00258 0.00140 0.00610 159 4ZZ 0.00506 0.00166 0.00300 -0.00019 0.00027 160 4XY 0.00535 -0.00522 -0.01484 0.00945 -0.00051 161 4XZ -0.00126 0.00067 -0.00924 -0.00418 -0.00702 162 4YZ 0.00704 0.00323 0.00996 -0.01129 0.00019 163 17 C 1S 0.00607 0.00524 0.01160 0.00399 0.00248 164 2S -0.02998 -0.02947 -0.02827 -0.00118 0.02051 165 2PX -0.11008 -0.02103 -0.00270 -0.09536 0.00754 166 2PY 0.00245 -0.00400 -0.02340 -0.00838 -0.00921 167 2PZ -0.11423 -0.02688 -0.00169 0.01414 0.03308 168 3S 0.02893 0.07253 -0.04924 -0.09442 -0.13933 169 3PX -0.05692 -0.05445 -0.03411 0.00262 0.02216 170 3PY 0.05223 0.13328 -0.06595 -0.04704 -0.00373 171 3PZ -0.11277 -0.01211 0.01578 -0.09891 0.01683 172 4XX -0.01204 -0.00579 -0.01263 0.00094 0.00115 173 4YY 0.00037 0.01309 0.02537 0.00063 0.00266 174 4ZZ 0.01040 -0.00472 -0.00992 -0.00169 -0.00223 175 4XY 0.00171 -0.00296 -0.00040 -0.00898 0.00105 176 4XZ -0.00238 0.00726 0.00489 -0.00045 -0.00515 177 4YZ 0.00365 -0.00228 -0.00412 0.00441 0.00046 178 18 H 1S -0.01142 0.02980 0.05758 0.06096 -0.00155 179 2S -0.17390 0.54400 0.61755 1.02387 0.08686 180 19 H 1S 0.01142 0.02980 0.05758 0.06096 -0.00155 181 2S 0.17390 0.54400 0.61754 1.02384 0.08685 182 20 H 1S 0.00502 0.01912 0.08317 -0.04212 0.01504 183 2S 0.01424 0.33634 1.00155 -0.89593 0.08048 184 21 H 1S -0.00502 0.01912 0.08317 -0.04212 0.01504 185 2S -0.01425 0.33634 1.00155 -0.89591 0.08049 186 22 O 1S 0.00165 0.00457 -0.01166 -0.00356 -0.00305 187 2S 0.00575 0.00065 0.02743 0.00190 -0.00296 188 2PX 0.04350 -0.01199 0.02480 0.02926 -0.01119 189 2PY 0.00733 -0.03404 -0.07198 -0.00353 -0.01036 190 2PZ 0.05820 0.00944 0.01727 0.03267 -0.01110 191 3S -0.06244 -0.12078 0.10006 0.06440 0.06244 192 3PX 0.04624 0.00518 0.01689 0.04022 -0.00793 193 3PY 0.02882 0.02772 -0.07842 -0.02403 -0.03290 194 3PZ 0.06612 0.00779 0.01100 0.02562 -0.01215 195 4XX 0.00066 0.00573 -0.00174 -0.00403 -0.00305 196 4YY 0.00224 -0.00433 -0.00370 -0.00025 -0.00251 197 4ZZ 0.00524 0.00436 -0.00082 -0.00163 -0.00470 198 4XY 0.00256 0.00214 -0.00104 0.00456 -0.00022 199 4XZ -0.00035 0.00089 -0.00240 -0.00094 -0.00109 200 4YZ 0.00270 0.00201 0.00042 -0.00277 -0.00136 201 23 O 1S -0.00165 0.00457 -0.01166 -0.00356 -0.00305 202 2S -0.00575 0.00065 0.02743 0.00190 -0.00296 203 2PX -0.04351 -0.01199 0.02480 0.02926 -0.01119 204 2PY 0.00733 0.03404 0.07198 0.00353 0.01036 205 2PZ -0.05820 0.00944 0.01727 0.03268 -0.01110 206 3S 0.06244 -0.12078 0.10006 0.06442 0.06245 207 3PX -0.04624 0.00518 0.01689 0.04023 -0.00793 208 3PY 0.02882 -0.02772 0.07842 0.02404 0.03290 209 3PZ -0.06612 0.00779 0.01100 0.02563 -0.01215 210 4XX -0.00066 0.00573 -0.00174 -0.00403 -0.00306 211 4YY -0.00224 -0.00433 -0.00370 -0.00025 -0.00251 212 4ZZ -0.00524 0.00436 -0.00082 -0.00163 -0.00470 213 4XY 0.00256 -0.00214 0.00104 -0.00456 0.00022 214 4XZ 0.00035 0.00089 -0.00240 -0.00094 -0.00109 215 4YZ 0.00270 -0.00201 -0.00042 0.00277 0.00136 56 57 58 59 60 V V V V V Eigenvalues -- 0.13537 0.15171 0.15590 0.15962 0.17006 1 1 C 1S 0.00734 -0.00070 -0.08299 -0.08103 -0.00909 2 2S 0.00781 -0.02052 0.12238 0.14072 0.02409 3 2PX -0.08096 -0.04830 -0.03183 -0.02075 -0.01807 4 2PY 0.07019 -0.15077 -0.10074 -0.14749 0.01350 5 2PZ -0.09474 0.02290 0.07262 0.07278 -0.03850 6 3S -0.33959 0.47320 1.21575 1.19127 -0.01396 7 3PX -0.28175 -0.13394 -0.13419 -0.11738 -0.30867 8 3PY 0.08595 -0.18682 -0.42888 -0.65418 -0.04658 9 3PZ -0.16285 0.15415 0.23524 0.23219 -0.15153 10 4XX 0.00554 0.00055 -0.00257 -0.00945 -0.00507 11 4YY -0.00012 -0.00104 -0.01326 0.00583 0.00115 12 4ZZ -0.00959 0.00313 -0.00166 -0.00897 -0.00063 13 4XY 0.00680 0.00070 0.00773 -0.00451 0.01055 14 4XZ -0.01050 -0.00948 0.00342 0.00311 0.00841 15 4YZ 0.00389 -0.00207 -0.00988 0.00187 0.01135 16 2 C 1S -0.01470 -0.07278 0.03720 0.05210 -0.00495 17 2S 0.02752 0.13639 -0.06407 -0.10540 -0.00572 18 2PX 0.02447 0.08735 -0.06528 -0.01453 0.08734 19 2PY -0.00775 -0.09778 0.08681 0.02337 -0.05723 20 2PZ 0.10818 -0.13049 0.05956 -0.00058 -0.05852 21 3S 0.19989 0.99867 -0.65270 -0.30507 0.36022 22 3PX -0.03737 0.54079 -0.17286 -0.23709 0.16449 23 3PY -0.03553 -0.32461 0.41511 0.40577 -0.16574 24 3PZ 0.28031 -0.59517 0.14170 0.16768 -0.11796 25 4XX 0.00335 -0.00432 0.00155 -0.00045 0.00214 26 4YY -0.00222 -0.00163 -0.00471 0.01329 -0.00470 27 4ZZ -0.00379 -0.00206 0.00578 0.00220 0.00599 28 4XY -0.00163 -0.00167 0.00226 0.00332 0.00721 29 4XZ -0.00176 0.00274 -0.00277 -0.00395 -0.00486 30 4YZ -0.00280 0.00451 -0.00288 -0.00227 0.00341 31 3 C 1S 0.01470 0.07278 0.03719 -0.05210 -0.00495 32 2S -0.02752 -0.13639 -0.06406 0.10540 -0.00572 33 2PX -0.02447 -0.08735 -0.06527 0.01453 0.08734 34 2PY -0.00775 -0.09778 -0.08681 0.02337 0.05723 35 2PZ -0.10818 0.13049 0.05956 0.00058 -0.05852 36 3S -0.19988 -0.99869 -0.65267 0.30509 0.36023 37 3PX 0.03738 -0.54079 -0.17283 0.23710 0.16449 38 3PY -0.03553 -0.32462 -0.41508 0.40579 0.16575 39 3PZ -0.28031 0.59517 0.14168 -0.16769 -0.11796 40 4XX -0.00335 0.00432 0.00155 0.00045 0.00214 41 4YY 0.00222 0.00163 -0.00471 -0.01329 -0.00470 42 4ZZ 0.00379 0.00206 0.00578 -0.00220 0.00599 43 4XY -0.00163 -0.00167 -0.00226 0.00332 -0.00721 44 4XZ 0.00176 -0.00275 -0.00277 0.00395 -0.00486 45 4YZ -0.00280 0.00451 0.00288 -0.00227 -0.00341 46 4 C 1S -0.00734 0.00069 -0.08299 0.08104 -0.00909 47 2S -0.00781 0.02052 0.12237 -0.14072 0.02408 48 2PX 0.08097 0.04830 -0.03183 0.02076 -0.01807 49 2PY 0.07019 -0.15077 0.10073 -0.14749 -0.01350 50 2PZ 0.09474 -0.02290 0.07262 -0.07278 -0.03850 51 3S 0.33957 -0.47317 1.21570 -1.19133 -0.01397 52 3PX 0.28176 0.13394 -0.13419 0.11739 -0.30867 53 3PY 0.08596 -0.18682 0.42885 -0.65421 0.04658 54 3PZ 0.16284 -0.15414 0.23524 -0.23220 -0.15153 55 4XX -0.00554 -0.00055 -0.00256 0.00946 -0.00507 56 4YY 0.00012 0.00104 -0.01326 -0.00582 0.00115 57 4ZZ 0.00959 -0.00313 -0.00166 0.00897 -0.00063 58 4XY 0.00680 0.00070 -0.00773 -0.00451 -0.01055 59 4XZ 0.01050 0.00948 0.00342 -0.00311 0.00841 60 4YZ 0.00389 -0.00207 0.00988 0.00187 -0.01135 61 5 H 1S 0.00432 0.00465 -0.06321 -0.02491 -0.00569 62 2S 0.24661 -0.52824 -1.17302 -1.34037 -0.05596 63 6 H 1S -0.01593 -0.03643 0.02329 0.04095 -0.00724 64 2S 0.06082 -1.44130 0.82657 0.68839 -0.48974 65 7 H 1S 0.01593 0.03643 0.02329 -0.04095 -0.00724 66 2S -0.06082 1.44132 0.82650 -0.68843 -0.48975 67 8 H 1S -0.00432 -0.00465 -0.06321 0.02491 -0.00569 68 2S -0.24661 0.52821 -1.17296 1.34044 -0.05595 69 9 C 1S 0.00000 0.00000 0.08663 0.00000 0.02973 70 2S 0.00000 0.00000 -0.13080 0.00000 -0.05464 71 2PX 0.00000 0.00000 -0.00618 0.00000 0.40720 72 2PY -0.01512 -0.01949 0.00000 0.08923 0.00000 73 2PZ 0.00000 0.00000 0.07714 0.00000 0.01162 74 3S 0.00003 -0.00001 -1.06130 0.00004 -0.48775 75 3PX 0.00000 0.00000 0.03694 -0.00001 1.43372 76 3PY -0.09941 0.06147 0.00001 0.53008 0.00000 77 3PZ 0.00000 0.00000 0.05593 0.00000 0.04880 78 4XX 0.00000 0.00000 0.00129 0.00000 0.00669 79 4YY 0.00000 0.00000 0.02099 0.00000 -0.00288 80 4ZZ 0.00000 0.00000 -0.00252 0.00000 -0.00227 81 4XY 0.01213 0.00989 0.00000 -0.00807 0.00000 82 4XZ 0.00000 0.00000 -0.00338 0.00000 -0.00574 83 4YZ 0.00749 -0.01180 0.00000 0.01190 0.00000 84 10 H 1S 0.00000 0.00000 0.02339 0.00000 0.07511 85 2S -0.00001 0.00000 0.47274 -0.00002 1.89927 86 11 H 1S 0.00000 0.00000 -0.01540 0.00000 -0.03502 87 2S -0.00001 0.00000 0.28600 -0.00001 -0.91280 88 12 C 1S -0.05873 0.00889 0.00707 -0.00882 0.00903 89 2S 0.12947 -0.02399 -0.00448 0.00955 -0.01321 90 2PX 0.16933 0.04236 -0.01238 0.07985 -0.01107 91 2PY 0.04969 -0.00655 0.00342 0.01849 -0.03762 92 2PZ 0.11199 0.08264 0.01532 0.04824 0.03948 93 3S 0.26544 -0.05084 -0.19363 0.13055 -0.16534 94 3PX 0.63807 -0.11512 0.00102 0.12281 -0.14168 95 3PY 0.35852 -0.05178 -0.08997 0.15710 -0.12236 96 3PZ -0.18910 0.39070 0.00460 0.05663 0.10495 97 4XX 0.00438 0.00488 0.00185 0.00263 0.00232 98 4YY -0.01053 0.00234 -0.00182 -0.00222 0.00189 99 4ZZ -0.00927 -0.00511 0.00338 -0.00576 -0.00172 100 4XY 0.00404 0.00130 0.00374 0.00308 0.00559 101 4XZ 0.00372 0.00117 0.00310 0.00086 0.00209 102 4YZ 0.00054 0.00266 -0.00007 0.00074 0.00018 103 13 C 1S 0.05873 -0.00889 0.00707 0.00882 0.00903 104 2S -0.12947 0.02399 -0.00448 -0.00955 -0.01321 105 2PX -0.16933 -0.04236 -0.01238 -0.07985 -0.01108 106 2PY 0.04969 -0.00655 -0.00341 0.01849 0.03762 107 2PZ -0.11198 -0.08264 0.01532 -0.04824 0.03948 108 3S -0.26547 0.05084 -0.19363 -0.13055 -0.16535 109 3PX -0.63808 0.11512 0.00100 -0.12281 -0.14168 110 3PY 0.35854 -0.05178 0.08998 0.15710 0.12235 111 3PZ 0.18912 -0.39070 0.00461 -0.05663 0.10494 112 4XX -0.00438 -0.00488 0.00185 -0.00263 0.00232 113 4YY 0.01053 -0.00234 -0.00182 0.00222 0.00189 114 4ZZ 0.00927 0.00511 0.00338 0.00576 -0.00172 115 4XY 0.00404 0.00130 -0.00374 0.00308 -0.00559 116 4XZ -0.00372 -0.00117 0.00310 -0.00086 0.00209 117 4YZ 0.00054 0.00266 0.00007 0.00074 -0.00018 118 14 C 1S -0.01623 0.00156 0.00447 0.00091 0.01036 119 2S 0.03532 -0.01485 -0.01240 0.02793 -0.05967 120 2PX 0.14304 0.05604 -0.00575 0.08260 -0.01552 121 2PY 0.00300 -0.01860 -0.00247 0.00715 -0.03334 122 2PZ 0.18552 0.07253 -0.00977 0.10582 -0.04355 123 3S -0.01704 0.11813 -0.01834 -0.16068 0.06987 124 3PX 0.13565 0.15929 0.05731 0.16576 -0.02574 125 3PY -0.58438 0.19060 0.08937 0.21782 -0.29319 126 3PZ 0.20842 0.09889 -0.06612 0.04809 -0.06022 127 4XX -0.00468 0.00164 0.00035 -0.00039 -0.00032 128 4YY 0.00075 -0.00279 0.00016 -0.00175 0.00413 129 4ZZ 0.00036 -0.00003 -0.00016 0.00216 -0.00223 130 4XY 0.00072 -0.00009 -0.00079 -0.00196 0.00151 131 4XZ 0.01240 -0.00282 0.00055 -0.00394 0.00946 132 4YZ -0.00064 -0.00099 -0.00150 -0.00086 -0.00032 133 15 C 1S 0.02711 -0.00853 -0.00019 -0.00668 0.00407 134 2S -0.09032 0.02210 -0.02114 0.02664 -0.09172 135 2PX -0.11435 -0.05353 -0.01820 -0.03949 -0.05655 136 2PY 0.03290 -0.01208 -0.01809 -0.00467 -0.01707 137 2PZ -0.15835 -0.04854 -0.01241 -0.04230 -0.05910 138 3S 0.16802 -0.03368 0.10666 -0.03400 0.15390 139 3PX 0.16099 -0.20431 -0.03677 -0.16256 0.02120 140 3PY 0.35253 -0.13669 -0.05964 -0.15837 0.00793 141 3PZ -0.50817 -0.02208 0.02067 -0.05219 -0.04175 142 4XX 0.00861 0.00230 0.00036 0.00715 -0.00304 143 4YY 0.00452 -0.00098 -0.00354 0.00011 -0.01321 144 4ZZ -0.01141 -0.00376 0.00088 -0.00338 0.00053 145 4XY 0.00384 0.00154 0.00088 -0.00045 0.00065 146 4XZ -0.00002 0.00234 0.00298 -0.00079 0.01512 147 4YZ 0.00556 0.00200 -0.00072 0.00155 -0.00205 148 16 C 1S -0.02712 0.00853 -0.00019 0.00668 0.00407 149 2S 0.09032 -0.02210 -0.02114 -0.02664 -0.09172 150 2PX 0.11435 0.05353 -0.01820 0.03949 -0.05654 151 2PY 0.03290 -0.01208 0.01809 -0.00467 0.01706 152 2PZ 0.15836 0.04854 -0.01241 0.04231 -0.05910 153 3S -0.16800 0.03368 0.10667 0.03399 0.15389 154 3PX -0.16100 0.20431 -0.03677 0.16255 0.02123 155 3PY 0.35254 -0.13669 0.05965 -0.15838 -0.00795 156 3PZ 0.50818 0.02208 0.02068 0.05219 -0.04177 157 4XX -0.00861 -0.00230 0.00036 -0.00715 -0.00304 158 4YY -0.00452 0.00098 -0.00354 -0.00011 -0.01321 159 4ZZ 0.01141 0.00376 0.00088 0.00338 0.00053 160 4XY 0.00384 0.00154 -0.00088 -0.00045 -0.00065 161 4XZ 0.00002 -0.00234 0.00298 0.00079 0.01512 162 4YZ 0.00556 0.00200 0.00072 0.00155 0.00205 163 17 C 1S 0.01623 -0.00156 0.00447 -0.00091 0.01036 164 2S -0.03532 0.01485 -0.01240 -0.02793 -0.05967 165 2PX -0.14305 -0.05604 -0.00576 -0.08259 -0.01552 166 2PY 0.00300 -0.01860 0.00248 0.00715 0.03333 167 2PZ -0.18552 -0.07253 -0.00978 -0.10582 -0.04355 168 3S 0.01704 -0.11813 -0.01833 0.16069 0.06986 169 3PX -0.13566 -0.15928 0.05730 -0.16576 -0.02574 170 3PY -0.58438 0.19060 -0.08937 0.21782 0.29320 171 3PZ -0.20842 -0.09889 -0.06612 -0.04808 -0.06022 172 4XX 0.00468 -0.00164 0.00035 0.00039 -0.00032 173 4YY -0.00075 0.00279 0.00016 0.00175 0.00413 174 4ZZ -0.00036 0.00003 -0.00016 -0.00216 -0.00223 175 4XY 0.00072 -0.00009 0.00079 -0.00196 -0.00151 176 4XZ -0.01240 0.00282 0.00055 0.00394 0.00946 177 4YZ -0.00064 -0.00099 0.00150 -0.00086 0.00032 178 18 H 1S -0.05561 -0.00993 0.00437 -0.02212 -0.00230 179 2S -0.77674 0.38656 0.12977 -0.17886 0.25774 180 19 H 1S 0.05562 0.00993 0.00437 0.02211 -0.00230 181 2S 0.77680 -0.38657 0.12979 0.17885 0.25774 182 20 H 1S 0.02251 -0.00654 -0.00527 0.00415 -0.03358 183 2S 0.49959 -0.19388 -0.08849 -0.14127 -0.02144 184 21 H 1S -0.02252 0.00654 -0.00527 -0.00415 -0.03358 185 2S -0.49962 0.19389 -0.08851 0.14128 -0.02139 186 22 O 1S -0.02002 0.00641 -0.00724 0.01461 0.01095 187 2S 0.01288 -0.00973 0.02668 -0.02298 0.00513 188 2PX 0.07991 0.00441 0.04028 -0.01020 -0.00260 189 2PY -0.00300 -0.00304 0.00241 0.00559 -0.00189 190 2PZ 0.08487 0.03151 0.02425 0.01383 0.01231 191 3S 0.41750 -0.11993 0.06521 -0.23754 -0.26948 192 3PX 0.10161 0.03492 0.01113 0.02663 0.00315 193 3PY -0.12031 0.04091 -0.03209 0.10557 0.09414 194 3PZ 0.12134 0.04344 0.02381 0.02808 0.01151 195 4XX -0.01455 0.00331 -0.00030 0.00826 0.01260 196 4YY 0.00010 -0.00217 0.00751 -0.00550 0.00110 197 4ZZ -0.01338 0.00181 0.00337 0.00442 0.01165 198 4XY 0.00171 0.00193 -0.00102 0.00467 0.00173 199 4XZ -0.00156 0.00006 -0.00201 0.00248 0.00114 200 4YZ 0.00368 0.00266 -0.00170 0.00610 0.00189 201 23 O 1S 0.02002 -0.00641 -0.00724 -0.01461 0.01095 202 2S -0.01288 0.00973 0.02668 0.02298 0.00513 203 2PX -0.07991 -0.00441 0.04028 0.01019 -0.00260 204 2PY -0.00300 -0.00304 -0.00240 0.00559 0.00189 205 2PZ -0.08486 -0.03151 0.02425 -0.01383 0.01231 206 3S -0.41750 0.11994 0.06521 0.23754 -0.26947 207 3PX -0.10161 -0.03492 0.01113 -0.02663 0.00314 208 3PY -0.12031 0.04091 0.03209 0.10557 -0.09414 209 3PZ -0.12134 -0.04344 0.02381 -0.02809 0.01151 210 4XX 0.01455 -0.00331 -0.00030 -0.00826 0.01260 211 4YY -0.00010 0.00217 0.00751 0.00550 0.00110 212 4ZZ 0.01338 -0.00181 0.00337 -0.00442 0.01165 213 4XY 0.00171 0.00193 0.00102 0.00467 -0.00173 214 4XZ 0.00156 -0.00006 -0.00201 -0.00248 0.00114 215 4YZ 0.00368 0.00266 0.00170 0.00610 -0.00189 61 62 63 64 65 V V V V V Eigenvalues -- 0.17079 0.18744 0.19216 0.21097 0.22012 1 1 C 1S 0.00503 0.00014 -0.03731 -0.03488 -0.00089 2 2S 0.00210 -0.01406 0.06337 0.02273 0.02507 3 2PX -0.00797 -0.08600 0.00707 -0.01744 0.13016 4 2PY 0.07427 0.04600 0.17757 0.11196 -0.10215 5 2PZ -0.04478 0.05150 0.07619 0.14917 -0.14908 6 3S -0.19798 0.01264 0.66020 0.85395 -0.05680 7 3PX -0.05062 -0.44151 -0.03656 0.04194 0.68205 8 3PY 0.22228 0.26619 0.59709 0.42546 -0.65404 9 3PZ -0.07756 0.32553 0.31561 0.27215 -0.68200 10 4XX -0.00015 0.00311 -0.00779 -0.00230 -0.00711 11 4YY 0.00188 -0.00756 0.00860 0.00255 0.01689 12 4ZZ -0.00231 0.00475 -0.00672 -0.00713 -0.00944 13 4XY 0.00285 0.00478 0.01100 0.01061 -0.01103 14 4XZ -0.00421 -0.00578 0.00239 0.00719 0.01167 15 4YZ 0.00002 -0.00640 -0.01417 -0.00818 0.01175 16 2 C 1S 0.00471 -0.01832 -0.02133 -0.04231 0.04283 17 2S 0.00970 -0.00780 0.05228 0.05414 -0.08298 18 2PX -0.04234 -0.00517 -0.05960 0.06563 0.07793 19 2PY 0.01700 -0.06416 0.12047 0.09635 0.07726 20 2PZ 0.02525 0.07962 -0.07318 -0.05017 -0.07048 21 3S -0.17801 0.52569 0.37401 0.67452 -0.87485 22 3PX -0.06887 -0.12895 0.07567 0.29867 0.30305 23 3PY 0.01305 -0.20417 0.51168 0.37164 0.42020 24 3PZ 0.11978 0.13546 -0.21961 -0.42533 -0.20097 25 4XX 0.00374 0.00246 0.00837 -0.00138 0.00381 26 4YY -0.00107 -0.00607 -0.01755 -0.02212 -0.00307 27 4ZZ 0.00009 -0.00457 0.00919 0.01055 0.00227 28 4XY 0.00071 -0.00720 -0.00394 -0.00727 0.01812 29 4XZ -0.00286 0.00672 -0.01255 -0.00321 -0.00026 30 4YZ 0.00010 0.00702 0.00516 0.00442 -0.01264 31 3 C 1S -0.00471 -0.01832 0.02133 0.04232 0.04283 32 2S -0.00970 -0.00780 -0.05228 -0.05414 -0.08298 33 2PX 0.04234 -0.00517 0.05960 -0.06563 0.07793 34 2PY 0.01700 0.06416 0.12047 0.09635 -0.07727 35 2PZ -0.02525 0.07962 0.07318 0.05017 -0.07048 36 3S 0.17800 0.52571 -0.37400 -0.67453 -0.87484 37 3PX 0.06887 -0.12895 -0.07567 -0.29866 0.30305 38 3PY 0.01304 0.20415 0.51168 0.37164 -0.42021 39 3PZ -0.11977 0.13546 0.21961 0.42533 -0.20097 40 4XX -0.00374 0.00246 -0.00837 0.00138 0.00381 41 4YY 0.00107 -0.00607 0.01754 0.02212 -0.00307 42 4ZZ -0.00009 -0.00457 -0.00919 -0.01055 0.00227 43 4XY 0.00071 0.00720 -0.00394 -0.00727 -0.01812 44 4XZ 0.00286 0.00672 0.01255 0.00321 -0.00026 45 4YZ 0.00010 -0.00702 0.00516 0.00442 0.01264 46 4 C 1S -0.00503 0.00013 0.03731 0.03488 -0.00089 47 2S -0.00210 -0.01405 -0.06337 -0.02273 0.02507 48 2PX 0.00797 -0.08600 -0.00707 0.01744 0.13016 49 2PY 0.07427 -0.04600 0.17757 0.11196 0.10215 50 2PZ 0.04478 0.05150 -0.07619 -0.14917 -0.14908 51 3S 0.19799 0.01266 -0.66019 -0.85395 -0.05678 52 3PX 0.05063 -0.44152 0.03655 -0.04194 0.68205 53 3PY 0.22228 -0.26620 0.59709 0.42546 0.65403 54 3PZ 0.07757 0.32554 -0.31560 -0.27215 -0.68199 55 4XX 0.00015 0.00311 0.00779 0.00230 -0.00711 56 4YY -0.00188 -0.00756 -0.00860 -0.00255 0.01689 57 4ZZ 0.00231 0.00475 0.00672 0.00713 -0.00944 58 4XY 0.00285 -0.00479 0.01100 0.01061 0.01103 59 4XZ 0.00421 -0.00578 -0.00239 -0.00719 0.01167 60 4YZ 0.00002 0.00640 -0.01417 -0.00818 -0.01175 61 5 H 1S 0.01677 -0.01440 0.07980 0.04192 0.03588 62 2S 0.35843 0.08367 0.44152 0.14881 -0.25661 63 6 H 1S 0.01267 0.01143 0.05891 -0.00201 -0.06235 64 2S 0.22905 -0.08194 0.11141 -0.43477 0.15251 65 7 H 1S -0.01267 0.01143 -0.05891 0.00201 -0.06235 66 2S -0.22903 -0.08194 -0.11141 0.43478 0.15251 67 8 H 1S -0.01677 -0.01440 -0.07980 -0.04192 0.03588 68 2S -0.35844 0.08367 -0.44152 -0.14881 -0.25661 69 9 C 1S 0.00000 0.02651 0.00000 0.00000 -0.06384 70 2S 0.00000 -0.00938 0.00000 0.00000 0.04526 71 2PX -0.00001 -0.00162 0.00000 0.00000 0.04466 72 2PY -0.00349 0.00000 0.23477 0.20614 0.00000 73 2PZ 0.00000 0.11193 0.00000 0.00000 -0.18918 74 3S 0.00000 -0.66065 -0.00001 0.00000 1.49241 75 3PX -0.00002 -0.01611 0.00000 0.00000 0.28212 76 3PY -0.00434 -0.00002 0.96164 0.90389 -0.00001 77 3PZ 0.00000 0.56068 0.00000 -0.00001 -1.08941 78 4XX 0.00000 -0.00858 0.00000 0.00000 0.01916 79 4YY 0.00000 0.01247 0.00000 0.00000 -0.02696 80 4ZZ 0.00000 0.00172 0.00000 0.00000 -0.00044 81 4XY 0.00182 0.00000 -0.01324 -0.01374 0.00000 82 4XZ 0.00000 -0.00030 0.00000 0.00000 -0.00212 83 4YZ 0.00256 0.00000 0.01854 0.01894 0.00000 84 10 H 1S 0.00000 -0.05217 0.00000 0.00000 0.10394 85 2S -0.00003 -0.06301 0.00000 0.00000 0.28149 86 11 H 1S 0.00000 -0.02493 0.00000 0.00000 0.04907 87 2S 0.00001 -0.28703 0.00000 0.00000 0.30645 88 12 C 1S 0.00350 0.05054 0.04582 -0.04989 0.01342 89 2S -0.03509 -0.07478 -0.07532 0.07329 -0.02677 90 2PX 0.10018 0.11036 0.00438 -0.01026 0.05750 91 2PY -0.05337 -0.07125 -0.00142 0.04416 -0.00413 92 2PZ 0.07723 -0.04000 0.15002 -0.19283 -0.09273 93 3S 0.32477 -0.82644 -0.71081 0.75983 -0.16078 94 3PX 0.02521 0.35057 -0.19545 0.27506 0.32752 95 3PY -0.33535 -0.35595 0.00372 0.23670 -0.00127 96 3PZ 0.29460 -0.23272 0.58438 -0.68621 -0.24418 97 4XX 0.00907 0.01568 0.00532 -0.00708 0.00588 98 4YY -0.00531 -0.01173 0.01071 -0.00703 -0.00628 99 4ZZ -0.00245 0.00309 -0.00727 0.00309 0.00285 100 4XY 0.00590 -0.01578 0.00045 0.00059 -0.00395 101 4XZ -0.00686 -0.00741 0.00208 0.00133 -0.00756 102 4YZ 0.00134 0.01545 0.00625 -0.00787 0.00749 103 13 C 1S -0.00350 0.05054 -0.04582 0.04989 0.01342 104 2S 0.03509 -0.07478 0.07532 -0.07329 -0.02677 105 2PX -0.10018 0.11036 -0.00437 0.01026 0.05750 106 2PY -0.05337 0.07125 -0.00142 0.04416 0.00413 107 2PZ -0.07723 -0.04000 -0.15002 0.19282 -0.09273 108 3S -0.32477 -0.82645 0.71079 -0.75984 -0.16077 109 3PX -0.02521 0.35057 0.19547 -0.27505 0.32752 110 3PY -0.33536 0.35594 0.00373 0.23671 0.00127 111 3PZ -0.29461 -0.23270 -0.58439 0.68621 -0.24419 112 4XX -0.00907 0.01568 -0.00532 0.00708 0.00588 113 4YY 0.00531 -0.01173 -0.01071 0.00703 -0.00628 114 4ZZ 0.00245 0.00309 0.00727 -0.00309 0.00285 115 4XY 0.00590 0.01578 0.00045 0.00059 0.00395 116 4XZ 0.00686 -0.00741 -0.00209 -0.00133 -0.00756 117 4YZ 0.00134 -0.01545 0.00625 -0.00787 -0.00749 118 14 C 1S 0.01967 -0.10312 0.00130 -0.00647 -0.05494 119 2S -0.07944 0.14531 0.00141 0.02385 0.10514 120 2PX 0.10609 -0.02723 0.01528 0.00067 -0.00155 121 2PY -0.08909 0.16137 -0.01015 0.03668 0.10190 122 2PZ 0.03213 0.00867 0.11461 -0.08196 0.05718 123 3S 0.12836 1.76602 0.04074 0.00760 0.76930 124 3PX 0.12541 -0.05532 0.10453 -0.07721 -0.01839 125 3PY 0.32313 0.37171 0.07236 -0.07622 0.60429 126 3PZ 0.12612 0.05604 0.15534 -0.16981 0.12243 127 4XX 0.00892 -0.00643 -0.00055 -0.00050 -0.00525 128 4YY -0.01064 -0.01101 0.00063 0.00577 -0.00800 129 4ZZ 0.00305 -0.00013 0.00286 -0.00417 0.00067 130 4XY -0.00114 -0.00157 0.00139 0.00131 -0.00114 131 4XZ -0.01162 0.01505 -0.00331 0.00497 0.00180 132 4YZ -0.00066 -0.00255 -0.00105 0.00319 -0.00066 133 15 C 1S -0.07486 0.04665 0.02316 -0.01844 0.02775 134 2S 0.16109 -0.06446 -0.02665 0.03428 -0.05147 135 2PX -0.15529 -0.10498 0.02015 -0.00833 -0.07759 136 2PY -0.09744 0.07502 0.00059 0.00623 0.00742 137 2PZ 0.03091 0.10298 -0.06688 0.09174 0.02699 138 3S 0.58498 -0.81873 -0.43927 0.40477 -0.49484 139 3PX -0.89842 -0.39955 0.10168 -0.13407 -0.33128 140 3PY -0.58976 0.38037 -0.00716 0.05106 0.19629 141 3PZ 0.49294 0.31829 -0.22735 0.22789 0.23132 142 4XX 0.00021 0.00761 0.00261 0.00155 0.01159 143 4YY -0.00981 -0.01067 0.00814 -0.00591 -0.00959 144 4ZZ -0.00393 0.00921 -0.00383 0.00553 0.00173 145 4XY 0.00758 -0.02133 -0.00334 0.00207 -0.01407 146 4XZ 0.00784 -0.01168 0.00131 -0.00482 -0.00626 147 4YZ -0.00283 0.01608 0.00269 -0.00453 0.00766 148 16 C 1S 0.07486 0.04665 -0.02315 0.01844 0.02775 149 2S -0.16109 -0.06446 0.02665 -0.03428 -0.05147 150 2PX 0.15529 -0.10498 -0.02016 0.00833 -0.07759 151 2PY -0.09744 -0.07502 0.00058 0.00623 -0.00742 152 2PZ -0.03091 0.10297 0.06688 -0.09174 0.02699 153 3S -0.58499 -0.81874 0.43924 -0.40478 -0.49484 154 3PX 0.89841 -0.39956 -0.10170 0.13407 -0.33129 155 3PY -0.58977 -0.38037 -0.00717 0.05105 -0.19628 156 3PZ -0.49294 0.31829 0.22736 -0.22789 0.23132 157 4XX -0.00021 0.00761 -0.00261 -0.00155 0.01159 158 4YY 0.00981 -0.01068 -0.00814 0.00591 -0.00959 159 4ZZ 0.00393 0.00921 0.00383 -0.00553 0.00173 160 4XY 0.00758 0.02133 -0.00334 0.00207 0.01407 161 4XZ -0.00784 -0.01168 -0.00131 0.00482 -0.00626 162 4YZ -0.00283 -0.01608 0.00269 -0.00453 -0.00766 163 17 C 1S -0.01967 -0.10312 -0.00130 0.00647 -0.05494 164 2S 0.07944 0.14531 -0.00141 -0.02385 0.10514 165 2PX -0.10609 -0.02723 -0.01528 -0.00067 -0.00155 166 2PY -0.08909 -0.16137 -0.01016 0.03668 -0.10190 167 2PZ -0.03213 0.00867 -0.11461 0.08196 0.05718 168 3S -0.12836 1.76603 -0.04069 -0.00758 0.76930 169 3PX -0.12540 -0.05532 -0.10453 0.07720 -0.01839 170 3PY 0.32312 -0.37171 0.07235 -0.07623 -0.60428 171 3PZ -0.12612 0.05604 -0.15533 0.16981 0.12243 172 4XX -0.00892 -0.00643 0.00055 0.00050 -0.00525 173 4YY 0.01064 -0.01101 -0.00063 -0.00577 -0.00800 174 4ZZ -0.00305 -0.00013 -0.00286 0.00417 0.00067 175 4XY -0.00114 0.00157 0.00139 0.00131 0.00114 176 4XZ 0.01162 0.01505 0.00331 -0.00497 0.00180 177 4YZ -0.00066 0.00255 -0.00105 0.00319 0.00066 178 18 H 1S 0.01831 -0.02341 0.00483 -0.02684 -0.00864 179 2S 0.29105 0.15411 0.85440 -1.17951 -0.31478 180 19 H 1S -0.01831 -0.02341 -0.00483 0.02684 -0.00864 181 2S -0.29106 0.15413 -0.85441 1.17952 -0.31479 182 20 H 1S -0.05952 -0.03166 0.00969 0.00407 -0.01643 183 2S -1.58536 -0.00713 0.39491 -0.36426 -0.08099 184 21 H 1S 0.05952 -0.03166 -0.00969 -0.00407 -0.01643 185 2S 1.58536 -0.00712 -0.39491 0.36426 -0.08098 186 22 O 1S 0.00470 0.01436 0.00282 -0.00160 -0.01003 187 2S 0.01128 -0.02188 0.00146 0.00030 0.00087 188 2PX 0.07923 -0.00366 -0.00823 0.01892 0.00327 189 2PY -0.01129 0.07592 0.00745 0.00784 0.02663 190 2PZ 0.01083 -0.00541 0.08016 -0.06626 -0.00570 191 3S -0.19013 -0.19959 -0.06698 0.05637 0.26535 192 3PX 0.05713 0.01042 0.01543 -0.00992 0.01317 193 3PY 0.04044 0.15261 0.02729 -0.01662 -0.05925 194 3PZ 0.03131 -0.01148 0.07377 -0.06811 -0.01865 195 4XX 0.00562 0.00267 0.00312 -0.00080 -0.01061 196 4YY 0.00313 0.00276 0.00187 0.00194 0.00389 197 4ZZ 0.00749 0.00689 0.00284 -0.00147 -0.00892 198 4XY 0.00299 0.00120 0.00001 -0.00068 -0.00177 199 4XZ -0.00202 0.00788 -0.00193 0.00023 0.00216 200 4YZ 0.00140 0.00154 0.00323 -0.00222 -0.00207 201 23 O 1S -0.00470 0.01436 -0.00282 0.00160 -0.01003 202 2S -0.01128 -0.02188 -0.00146 -0.00030 0.00087 203 2PX -0.07923 -0.00366 0.00823 -0.01892 0.00327 204 2PY -0.01129 -0.07592 0.00745 0.00784 -0.02663 205 2PZ -0.01082 -0.00541 -0.08016 0.06626 -0.00570 206 3S 0.19014 -0.19959 0.06697 -0.05637 0.26535 207 3PX -0.05713 0.01042 -0.01543 0.00993 0.01317 208 3PY 0.04044 -0.15261 0.02729 -0.01662 0.05925 209 3PZ -0.03131 -0.01148 -0.07377 0.06811 -0.01865 210 4XX -0.00562 0.00267 -0.00312 0.00080 -0.01061 211 4YY -0.00313 0.00276 -0.00187 -0.00194 0.00389 212 4ZZ -0.00749 0.00689 -0.00284 0.00147 -0.00892 213 4XY 0.00299 -0.00120 0.00001 -0.00068 0.00177 214 4XZ 0.00202 0.00788 0.00193 -0.00023 0.00216 215 4YZ 0.00140 -0.00154 0.00323 -0.00222 0.00207 66 67 68 69 70 V V V V V Eigenvalues -- 0.25351 0.28248 0.29461 0.29980 0.32264 1 1 C 1S 0.01674 -0.07957 0.01565 -0.00356 -0.03478 2 2S -0.01896 0.03621 0.00342 0.00149 -0.00491 3 2PX -0.05519 0.13404 -0.09963 0.08646 -0.09892 4 2PY 0.02103 0.16174 0.02497 -0.02840 0.13431 5 2PZ -0.06588 -0.08684 0.02374 0.02886 0.03426 6 3S -0.30633 2.45631 -0.46515 -0.00141 1.46040 7 3PX 0.00589 0.68243 -0.16518 0.02156 0.84692 8 3PY 0.14509 1.68609 0.14611 -0.17925 1.15691 9 3PZ -0.03699 -0.20613 0.20202 -0.02563 -0.59626 10 4XX 0.00217 -0.01071 -0.00186 0.00526 -0.01010 11 4YY 0.00272 0.00487 0.00141 -0.00996 0.01178 12 4ZZ 0.00111 -0.00165 0.00669 -0.00270 0.00187 13 4XY -0.00673 -0.00546 0.00479 0.00049 -0.01301 14 4XZ -0.00404 -0.00815 -0.00080 0.00227 -0.00704 15 4YZ -0.00417 -0.00537 -0.00507 0.00612 0.02233 16 2 C 1S 0.00305 0.04146 -0.01359 0.00020 0.06234 17 2S 0.00313 -0.01191 0.04739 0.06473 0.01351 18 2PX 0.01433 0.07736 -0.03190 -0.04309 0.09867 19 2PY -0.00196 -0.07593 0.01388 0.04575 -0.05903 20 2PZ 0.04878 -0.04044 -0.01043 -0.05585 -0.09417 21 3S -0.21934 -1.33480 0.34706 -0.10963 -2.90025 22 3PX 0.04911 1.01288 -0.17866 -0.04950 1.22175 23 3PY -0.25246 0.20660 -0.20202 0.03491 -1.48823 24 3PZ 0.06859 -0.76863 0.12886 0.01151 -1.01367 25 4XX 0.00556 0.02545 0.00071 -0.00806 -0.00306 26 4YY -0.00269 -0.01917 0.00819 0.01233 -0.00022 27 4ZZ -0.00382 0.00061 -0.00246 0.00828 -0.00065 28 4XY -0.00060 0.00833 -0.01021 0.00434 -0.00752 29 4XZ 0.00683 -0.01547 0.00016 -0.01220 0.01307 30 4YZ -0.00162 -0.01578 0.01058 -0.00590 0.00793 31 3 C 1S -0.00305 0.04146 -0.01358 0.00020 -0.06235 32 2S -0.00313 -0.01191 0.04739 0.06473 -0.01351 33 2PX -0.01433 0.07736 -0.03190 -0.04309 -0.09867 34 2PY -0.00196 0.07593 -0.01388 -0.04575 -0.05903 35 2PZ -0.04878 -0.04044 -0.01043 -0.05585 0.09417 36 3S 0.21935 -1.33480 0.34704 -0.10966 2.90026 37 3PX -0.04912 1.01288 -0.17864 -0.04948 -1.22175 38 3PY -0.25246 -0.20660 0.20203 -0.03490 -1.48823 39 3PZ -0.06859 -0.76863 0.12885 0.01150 1.01368 40 4XX -0.00556 0.02545 0.00071 -0.00806 0.00306 41 4YY 0.00269 -0.01917 0.00819 0.01233 0.00022 42 4ZZ 0.00382 0.00061 -0.00246 0.00828 0.00065 43 4XY -0.00060 -0.00833 0.01021 -0.00434 -0.00752 44 4XZ -0.00683 -0.01547 0.00016 -0.01220 -0.01307 45 4YZ -0.00162 0.01578 -0.01058 0.00590 0.00793 46 4 C 1S -0.01674 -0.07957 0.01565 -0.00356 0.03478 47 2S 0.01896 0.03620 0.00342 0.00149 0.00491 48 2PX 0.05519 0.13404 -0.09963 0.08646 0.09892 49 2PY 0.02103 -0.16174 -0.02497 0.02840 0.13431 50 2PZ 0.06588 -0.08684 0.02374 0.02886 -0.03426 51 3S 0.30632 2.45631 -0.46514 -0.00139 -1.46041 52 3PX -0.00589 0.68242 -0.16517 0.02157 -0.84692 53 3PY 0.14509 -1.68609 -0.14612 0.17923 1.15692 54 3PZ 0.03699 -0.20612 0.20202 -0.02564 0.59625 55 4XX -0.00217 -0.01071 -0.00186 0.00526 0.01010 56 4YY -0.00272 0.00487 0.00141 -0.00996 -0.01178 57 4ZZ -0.00111 -0.00165 0.00669 -0.00270 -0.00187 58 4XY -0.00673 0.00546 -0.00479 -0.00049 -0.01301 59 4XZ 0.00404 -0.00815 -0.00080 0.00227 0.00704 60 4YZ -0.00417 0.00537 0.00507 -0.00612 0.02233 61 5 H 1S 0.02335 -0.00005 0.01863 -0.04654 -0.00175 62 2S 0.31470 0.81110 0.24044 -0.17684 0.73475 63 6 H 1S -0.02432 -0.02286 0.04984 0.01438 0.00802 64 2S -0.03048 -0.45310 -0.02977 0.07788 -0.96520 65 7 H 1S 0.02432 -0.02286 0.04984 0.01438 -0.00802 66 2S 0.03048 -0.45310 -0.02978 0.07787 0.96520 67 8 H 1S -0.02335 -0.00005 0.01863 -0.04654 0.00175 68 2S -0.31470 0.81110 0.24045 -0.17683 -0.73475 69 9 C 1S 0.00000 0.06604 0.01791 -0.00953 0.00000 70 2S 0.00000 0.05007 -0.05721 -0.00735 0.00000 71 2PX 0.00000 -0.03235 0.07814 -0.04111 0.00000 72 2PY -0.02732 0.00000 0.00000 0.00000 -0.19964 73 2PZ 0.00000 0.09254 0.03750 -0.00443 0.00000 74 3S 0.00000 -2.22491 -0.23778 0.22341 0.00000 75 3PX 0.00000 -0.96544 0.13660 0.00327 0.00000 76 3PY -0.10079 0.00000 0.00000 0.00000 0.49378 77 3PZ 0.00000 1.67988 0.11755 -0.21941 0.00000 78 4XX 0.00000 -0.01182 -0.00281 0.00247 0.00000 79 4YY 0.00000 -0.00324 0.00358 0.00096 0.00000 80 4ZZ 0.00000 0.02348 -0.00177 -0.00995 0.00000 81 4XY 0.01298 0.00000 0.00000 0.00000 -0.01202 82 4XZ 0.00000 -0.01293 0.00432 -0.00008 0.00000 83 4YZ -0.00083 0.00000 0.00000 0.00000 0.02197 84 10 H 1S 0.00000 -0.02312 0.00581 -0.01284 0.00000 85 2S 0.00000 -0.47070 0.20613 -0.02115 0.00000 86 11 H 1S 0.00000 -0.05365 -0.00955 0.00062 0.00000 87 2S 0.00000 -0.16619 -0.16612 0.12278 0.00000 88 12 C 1S 0.03488 0.00057 -0.03549 -0.04002 0.00252 89 2S -0.07508 0.01869 0.02441 0.04007 -0.06221 90 2PX 0.01162 -0.03047 -0.07099 -0.00011 0.16065 91 2PY 0.21390 0.02324 0.12460 -0.01856 -0.07322 92 2PZ 0.01800 0.05927 -0.00971 0.04616 -0.02812 93 3S -0.30091 -0.06263 0.90699 1.20344 0.76373 94 3PX -0.46546 -0.15061 0.00343 -0.61015 0.31329 95 3PY 0.73192 0.02062 0.67048 0.45189 -1.00095 96 3PZ 0.30716 0.04335 -0.04646 0.37072 -0.16142 97 4XX -0.01027 0.00104 -0.00048 -0.01760 0.00174 98 4YY 0.03441 -0.00164 -0.00902 0.00989 -0.00221 99 4ZZ -0.01562 -0.00018 0.00676 0.00109 0.00223 100 4XY -0.00263 0.00190 0.03439 0.01117 0.00608 101 4XZ 0.01035 0.00131 -0.00940 0.01462 -0.00072 102 4YZ 0.00219 -0.00780 -0.02683 -0.01430 0.00067 103 13 C 1S -0.03488 0.00057 -0.03549 -0.04002 -0.00252 104 2S 0.07508 0.01869 0.02441 0.04007 0.06222 105 2PX -0.01162 -0.03047 -0.07099 -0.00011 -0.16065 106 2PY 0.21390 -0.02324 -0.12460 0.01857 -0.07321 107 2PZ -0.01800 0.05927 -0.00971 0.04616 0.02812 108 3S 0.30091 -0.06264 0.90699 1.20344 -0.76370 109 3PX 0.46547 -0.15061 0.00343 -0.61014 -0.31331 110 3PY 0.73192 -0.02063 -0.67048 -0.45187 -1.00096 111 3PZ -0.30716 0.04335 -0.04646 0.37072 0.16143 112 4XX 0.01027 0.00104 -0.00048 -0.01760 -0.00174 113 4YY -0.03441 -0.00164 -0.00902 0.00989 0.00221 114 4ZZ 0.01562 -0.00018 0.00676 0.00109 -0.00223 115 4XY -0.00263 -0.00190 -0.03439 -0.01117 0.00608 116 4XZ -0.01035 0.00131 -0.00940 0.01462 0.00072 117 4YZ 0.00219 0.00780 0.02683 0.01430 0.00067 118 14 C 1S -0.01128 0.00174 0.03058 -0.01432 0.05017 119 2S 0.01209 0.02926 -0.03124 0.00053 0.03616 120 2PX -0.00751 -0.02434 -0.24314 -0.29377 0.03899 121 2PY 0.15684 0.02490 0.09348 -0.07664 0.02246 122 2PZ 0.03777 0.08927 0.13630 0.20724 0.09379 123 3S 0.58389 -0.10347 -0.73617 0.43752 -1.56878 124 3PX 0.06614 -0.07208 -0.64304 -1.07669 0.02055 125 3PY 1.23719 0.07434 1.34662 -1.15885 0.58880 126 3PZ 0.18516 0.11614 0.63049 0.57959 0.07448 127 4XX -0.01910 -0.00132 -0.00317 0.00644 0.00699 128 4YY 0.02639 0.00692 0.00633 -0.00420 0.00716 129 4ZZ -0.01598 -0.00089 -0.01243 0.00758 0.00249 130 4XY 0.00699 0.00249 0.00405 0.00332 -0.00016 131 4XZ 0.00847 -0.00772 -0.00861 0.00683 -0.02972 132 4YZ 0.00105 -0.00134 -0.00112 -0.00206 0.00272 133 15 C 1S -0.01627 0.00503 0.02453 0.03473 -0.00634 134 2S 0.06663 0.03807 -0.01617 -0.03656 0.09751 135 2PX -0.06993 0.01726 -0.04612 -0.02213 0.13829 136 2PY 0.13369 0.01323 -0.07352 0.12542 -0.06496 137 2PZ 0.02142 0.01228 -0.00855 0.03243 -0.07496 138 3S 0.07897 -0.16712 -0.82237 -1.05200 -0.67726 139 3PX -0.74213 -0.06989 -0.49789 -0.01393 0.17270 140 3PY 0.52276 0.05067 0.28344 0.73023 -0.65301 141 3PZ 0.46582 0.04119 0.38406 0.06188 -0.24261 142 4XX 0.01804 0.00444 0.01424 -0.00890 0.00827 143 4YY -0.02353 0.00610 -0.00947 0.00676 0.01172 144 4ZZ 0.00791 0.00046 0.00635 -0.00094 -0.00014 145 4XY 0.00473 -0.00518 -0.00428 -0.03485 -0.00781 146 4XZ -0.01220 -0.00831 -0.01545 0.00558 -0.00047 147 4YZ -0.00158 0.00100 0.00394 0.02813 0.00280 148 16 C 1S 0.01627 0.00503 0.02453 0.03473 0.00634 149 2S -0.06663 0.03807 -0.01616 -0.03656 -0.09751 150 2PX 0.06993 0.01726 -0.04612 -0.02213 -0.13829 151 2PY 0.13369 -0.01323 0.07352 -0.12542 -0.06496 152 2PZ -0.02142 0.01228 -0.00855 0.03243 0.07496 153 3S -0.07897 -0.16712 -0.82237 -1.05201 0.67724 154 3PX 0.74213 -0.06989 -0.49790 -0.01394 -0.17271 155 3PY 0.52276 -0.05067 -0.28344 -0.73022 -0.65302 156 3PZ -0.46582 0.04119 0.38407 0.06188 0.24261 157 4XX -0.01804 0.00444 0.01424 -0.00890 -0.00827 158 4YY 0.02353 0.00610 -0.00947 0.00676 -0.01172 159 4ZZ -0.00791 0.00046 0.00635 -0.00094 0.00014 160 4XY 0.00473 0.00518 0.00428 0.03486 -0.00780 161 4XZ 0.01220 -0.00831 -0.01545 0.00558 0.00047 162 4YZ -0.00158 -0.00100 -0.00394 -0.02813 0.00280 163 17 C 1S 0.01128 0.00174 0.03058 -0.01432 -0.05017 164 2S -0.01209 0.02926 -0.03124 0.00053 -0.03616 165 2PX 0.00751 -0.02434 -0.24314 -0.29377 -0.03899 166 2PY 0.15684 -0.02490 -0.09348 0.07665 0.02246 167 2PZ -0.03777 0.08927 0.13630 0.20724 -0.09379 168 3S -0.58389 -0.10346 -0.73618 0.43749 1.56877 169 3PX -0.06613 -0.07208 -0.64306 -1.07668 -0.02057 170 3PY 1.23719 -0.07433 -1.34662 1.15885 0.58880 171 3PZ -0.18516 0.11614 0.63049 0.57959 -0.07447 172 4XX 0.01910 -0.00132 -0.00317 0.00644 -0.00699 173 4YY -0.02639 0.00692 0.00633 -0.00420 -0.00716 174 4ZZ 0.01598 -0.00089 -0.01243 0.00758 -0.00249 175 4XY 0.00699 -0.00249 -0.00405 -0.00332 -0.00016 176 4XZ -0.00848 -0.00772 -0.00861 0.00683 0.02972 177 4YZ 0.00105 0.00134 0.00112 0.00206 0.00272 178 18 H 1S -0.05374 0.02442 0.11556 0.02115 0.01907 179 2S -0.05196 0.20541 -0.49045 -0.01098 -0.02978 180 19 H 1S 0.05374 0.02442 0.11556 0.02115 -0.01907 181 2S 0.05196 0.20541 -0.49045 -0.01098 0.02978 182 20 H 1S 0.06404 0.00231 0.01293 -0.12395 -0.00918 183 2S -0.27396 0.01334 -0.17942 0.52304 0.15942 184 21 H 1S -0.06404 0.00231 0.01293 -0.12396 0.00918 185 2S 0.27396 0.01334 -0.17942 0.52304 -0.15942 186 22 O 1S 0.05617 -0.00604 -0.06377 0.05179 0.03605 187 2S -0.09805 0.00731 0.06417 -0.04681 0.00086 188 2PX -0.01099 0.00273 0.04957 0.06662 0.01299 189 2PY 0.11814 -0.02208 -0.09649 0.07400 0.06746 190 2PZ 0.00757 -0.02139 -0.03324 -0.04628 0.00562 191 3S -0.89302 0.10038 1.26611 -1.07137 -0.87922 192 3PX -0.04459 0.01832 0.20760 0.16654 -0.01982 193 3PY 0.37646 -0.04894 -0.51920 0.43947 0.36822 194 3PZ 0.00313 -0.03261 -0.07355 -0.17020 -0.01176 195 4XX 0.02149 -0.00476 -0.03494 0.02957 0.02628 196 4YY -0.00524 -0.00235 0.00234 -0.00073 0.01407 197 4ZZ 0.01892 -0.00207 -0.03778 0.03167 0.03233 198 4XY 0.00079 0.00148 0.00090 0.00749 0.00387 199 4XZ -0.00744 -0.00094 0.00029 -0.00021 0.01059 200 4YZ 0.00186 -0.00327 -0.00428 -0.00118 0.00668 201 23 O 1S -0.05617 -0.00604 -0.06377 0.05179 -0.03605 202 2S 0.09805 0.00731 0.06417 -0.04681 -0.00086 203 2PX 0.01099 0.00273 0.04958 0.06662 -0.01299 204 2PY 0.11814 0.02208 0.09649 -0.07401 0.06746 205 2PZ -0.00757 -0.02139 -0.03324 -0.04628 -0.00562 206 3S 0.89302 0.10039 1.26610 -1.07138 0.87922 207 3PX 0.04460 0.01832 0.20760 0.16654 0.01983 208 3PY 0.37647 0.04894 0.51919 -0.43948 0.36822 209 3PZ -0.00313 -0.03261 -0.07355 -0.17020 0.01176 210 4XX -0.02149 -0.00476 -0.03494 0.02957 -0.02628 211 4YY 0.00524 -0.00235 0.00234 -0.00073 -0.01407 212 4ZZ -0.01892 -0.00207 -0.03778 0.03167 -0.03233 213 4XY 0.00079 -0.00148 -0.00090 -0.00749 0.00387 214 4XZ 0.00744 -0.00094 0.00029 -0.00021 -0.01058 215 4YZ 0.00186 0.00327 0.00428 0.00118 0.00668 71 72 73 74 75 V V V V V Eigenvalues -- 0.34275 0.36389 0.39855 0.45834 0.46696 1 1 C 1S -0.00017 0.01701 0.03391 0.02705 -0.00949 2 2S -0.02659 -0.00245 0.00202 0.01382 0.02311 3 2PX -0.03573 0.07222 -0.08024 -0.15239 -0.27913 4 2PY 0.00624 -0.10131 0.00158 0.03389 0.10425 5 2PZ 0.05917 -0.19765 0.14157 0.04538 0.08922 6 3S 0.01841 -0.38540 -1.38105 -0.87158 0.07043 7 3PX -0.15124 0.40562 -1.13138 -0.42568 0.26909 8 3PY 0.23219 -0.68847 -0.28309 -0.20326 0.10650 9 3PZ 0.22973 -0.50908 1.04779 0.55609 -0.09398 10 4XX 0.00666 -0.00532 0.02036 0.00362 -0.02002 11 4YY -0.00563 0.00351 -0.01067 0.00337 0.01417 12 4ZZ -0.00345 0.00438 -0.00398 0.00729 0.01807 13 4XY -0.01228 0.00955 0.00551 0.01056 -0.01010 14 4XZ 0.00034 0.00556 -0.01042 -0.01159 0.01354 15 4YZ -0.00358 -0.00917 -0.01782 -0.00585 0.01886 16 2 C 1S 0.01817 -0.04884 -0.03266 -0.03234 -0.00383 17 2S -0.01965 0.02652 0.02575 0.02838 -0.16971 18 2PX -0.02318 0.05911 -0.16494 -0.05330 0.12868 19 2PY -0.09314 0.19696 -0.15450 0.00843 0.11682 20 2PZ -0.01060 0.03742 0.09690 0.10199 -0.07676 21 3S -0.67454 1.76892 1.20286 0.89650 0.16749 22 3PX -0.10128 0.08351 -1.34899 -0.68698 -0.14367 23 3PY -0.89466 2.07399 -0.59276 -0.06514 -0.19070 24 3PZ 0.01306 0.03494 0.91171 0.45675 0.11457 25 4XX -0.00712 0.01367 -0.01145 0.00296 -0.01492 26 4YY 0.00719 -0.01528 0.01448 -0.00898 -0.00597 27 4ZZ -0.00124 -0.00070 0.00033 -0.00133 -0.01771 28 4XY -0.00038 0.00244 0.00160 -0.00089 0.00379 29 4XZ 0.00630 -0.00715 0.00039 0.01270 0.03293 30 4YZ -0.00069 -0.00360 -0.00180 0.00152 0.00800 31 3 C 1S -0.01817 0.04884 0.03267 0.03234 -0.00383 32 2S 0.01965 -0.02652 -0.02575 -0.02837 -0.16971 33 2PX 0.02318 -0.05911 0.16494 0.05330 0.12868 34 2PY -0.09314 0.19696 -0.15450 0.00843 -0.11682 35 2PZ 0.01060 -0.03742 -0.09690 -0.10199 -0.07676 36 3S 0.67454 -1.76892 -1.20287 -0.89650 0.16749 37 3PX 0.10129 -0.08351 1.34899 0.68698 -0.14367 38 3PY -0.89466 2.07399 -0.59277 -0.06514 0.19070 39 3PZ -0.01306 -0.03494 -0.91171 -0.45675 0.11456 40 4XX 0.00712 -0.01367 0.01145 -0.00296 -0.01492 41 4YY -0.00719 0.01528 -0.01448 0.00898 -0.00597 42 4ZZ 0.00124 0.00070 -0.00033 0.00133 -0.01771 43 4XY -0.00038 0.00244 0.00160 -0.00089 -0.00379 44 4XZ -0.00630 0.00715 -0.00039 -0.01270 0.03293 45 4YZ -0.00069 -0.00360 -0.00180 0.00152 -0.00800 46 4 C 1S 0.00017 -0.01701 -0.03391 -0.02705 -0.00949 47 2S 0.02659 0.00245 -0.00202 -0.01382 0.02311 48 2PX 0.03573 -0.07222 0.08024 0.15239 -0.27913 49 2PY 0.00624 -0.10131 0.00158 0.03389 -0.10425 50 2PZ -0.05917 0.19765 -0.14157 -0.04538 0.08922 51 3S -0.01840 0.38539 1.38106 0.87158 0.07043 52 3PX 0.15124 -0.40562 1.13138 0.42568 0.26909 53 3PY 0.23218 -0.68846 -0.28310 -0.20326 -0.10650 54 3PZ -0.22973 0.50909 -1.04779 -0.55610 -0.09398 55 4XX -0.00666 0.00532 -0.02036 -0.00362 -0.02002 56 4YY 0.00563 -0.00351 0.01066 -0.00337 0.01417 57 4ZZ 0.00345 -0.00438 0.00398 -0.00729 0.01807 58 4XY -0.01228 0.00955 0.00551 0.01056 0.01010 59 4XZ -0.00034 -0.00556 0.01042 0.01159 0.01354 60 4YZ -0.00358 -0.00917 -0.01782 -0.00585 -0.01886 61 5 H 1S -0.02442 0.05841 -0.00376 0.02497 -0.08675 62 2S 0.09581 -0.19492 -0.20926 -0.05107 0.10657 63 6 H 1S -0.01525 -0.00434 -0.02460 -0.05770 -0.06675 64 2S -0.20449 0.48711 0.40613 0.28733 0.01453 65 7 H 1S 0.01525 0.00434 0.02460 0.05770 -0.06675 66 2S 0.20448 -0.48711 -0.40613 -0.28733 0.01453 67 8 H 1S 0.02442 -0.05841 0.00375 -0.02497 -0.08675 68 2S -0.09581 0.19491 0.20926 0.05107 0.10657 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.03494 70 2S 0.00000 0.00000 0.00000 0.00000 0.03942 71 2PX 0.00000 0.00000 0.00000 0.00000 -0.06698 72 2PY 0.06163 -0.08861 0.24484 0.04659 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 -0.23739 74 3S -0.00001 0.00000 0.00000 0.00000 -0.36165 75 3PX 0.00000 0.00000 0.00000 0.00000 0.08858 76 3PY 0.34037 -1.10121 0.53083 0.25468 0.00000 77 3PZ 0.00000 0.00000 0.00000 0.00000 0.76368 78 4XX 0.00000 0.00000 0.00000 0.00000 -0.00996 79 4YY 0.00000 0.00000 0.00000 0.00000 0.03711 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.01493 81 4XY 0.00662 0.00313 0.02113 0.00987 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 -0.04963 83 4YZ 0.00723 -0.02806 0.00791 0.00635 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.10566 85 2S 0.00000 0.00000 0.00000 0.00000 0.11987 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.23846 87 2S 0.00000 0.00000 0.00000 0.00000 -0.08463 88 12 C 1S 0.08550 0.04197 0.02570 -0.07423 -0.00690 89 2S -0.10726 -0.09333 -0.05437 0.00814 0.16163 90 2PX 0.08131 0.18519 0.08468 0.09542 -0.26378 91 2PY 0.17687 0.00755 -0.06498 -0.17720 -0.14653 92 2PZ -0.11934 -0.12391 -0.08264 0.05214 -0.01756 93 3S -1.93756 -0.42933 -0.39035 2.96671 0.18826 94 3PX 0.48165 0.45062 0.43630 -1.17641 0.20511 95 3PY 1.46715 0.02733 -0.08344 -1.83482 0.32506 96 3PZ -0.46279 -0.42843 -0.29371 0.72284 0.15872 97 4XX -0.00432 -0.00559 0.00565 -0.00094 0.02113 98 4YY 0.03001 0.00624 -0.00914 -0.01660 0.03850 99 4ZZ -0.01165 -0.00074 -0.00303 0.01201 -0.03908 100 4XY -0.00229 0.00324 0.00366 0.00717 -0.00223 101 4XZ -0.00501 -0.00372 -0.00511 0.00914 -0.01324 102 4YZ -0.00180 -0.00073 0.00075 0.00352 0.02771 103 13 C 1S -0.08550 -0.04197 -0.02570 0.07423 -0.00690 104 2S 0.10726 0.09333 0.05437 -0.00814 0.16163 105 2PX -0.08131 -0.18519 -0.08468 -0.09542 -0.26378 106 2PY 0.17688 0.00755 -0.06498 -0.17720 0.14653 107 2PZ 0.11934 0.12391 0.08264 -0.05214 -0.01756 108 3S 1.93756 0.42934 0.39035 -2.96672 0.18825 109 3PX -0.48164 -0.45062 -0.43630 1.17640 0.20513 110 3PY 1.46715 0.02733 -0.08343 -1.83482 -0.32504 111 3PZ 0.46280 0.42843 0.29371 -0.72285 0.15870 112 4XX 0.00432 0.00559 -0.00565 0.00094 0.02113 113 4YY -0.03001 -0.00624 0.00914 0.01660 0.03850 114 4ZZ 0.01165 0.00074 0.00303 -0.01201 -0.03908 115 4XY -0.00229 0.00324 0.00366 0.00717 0.00223 116 4XZ 0.00501 0.00372 0.00511 -0.00914 -0.01324 117 4YZ -0.00180 -0.00073 0.00075 0.00352 -0.02771 118 14 C 1S 0.00710 0.06712 0.08853 -0.05193 -0.00339 119 2S -0.03741 -0.04023 -0.15357 0.21814 0.29567 120 2PX -0.14716 -0.03777 0.00458 -0.11249 0.03010 121 2PY -0.05073 0.01266 -0.01987 0.15064 0.09124 122 2PZ 0.09088 0.02311 -0.13706 -0.04713 0.03513 123 3S -0.09009 -1.71667 -1.79444 0.57388 -0.57996 124 3PX -0.15606 0.07775 0.17982 0.15270 -0.20785 125 3PY -0.55182 0.15338 -0.26693 2.62190 0.15987 126 3PZ -0.01559 -0.04373 -0.09767 0.21496 0.05625 127 4XX -0.00105 0.00637 0.00706 0.03166 0.03130 128 4YY -0.00156 0.01076 0.01232 -0.04058 -0.00058 129 4ZZ 0.00261 -0.00460 -0.01329 0.01354 0.02082 130 4XY 0.02673 0.01170 -0.00462 -0.00049 -0.00345 131 4XZ 0.00408 -0.02330 -0.01325 -0.02861 -0.04173 132 4YZ -0.01720 -0.00436 0.01073 -0.01048 -0.00547 133 15 C 1S 0.06699 0.00466 -0.06021 0.10037 0.00183 134 2S -0.12629 0.02928 0.10674 -0.00701 0.20319 135 2PX -0.12080 0.07253 0.16676 -0.04269 0.09139 136 2PY -0.15572 -0.11038 -0.00323 -0.18688 0.06194 137 2PZ 0.09076 -0.07899 -0.14848 0.03277 -0.10157 138 3S -1.36539 -0.76259 0.92488 -3.94928 -0.25504 139 3PX -0.09582 0.36939 0.81302 -1.22569 -0.08196 140 3PY -1.27051 -1.09383 0.05548 -2.31188 -0.06699 141 3PZ 0.12232 -0.29695 -0.59866 0.86910 0.10427 142 4XX -0.01417 -0.00361 -0.00434 -0.00555 0.00375 143 4YY 0.03402 0.01562 -0.01215 0.03809 0.03343 144 4ZZ -0.01124 -0.00419 0.00662 -0.00323 0.00032 145 4XY 0.00123 -0.00183 0.00167 -0.00224 -0.02003 146 4XZ 0.00311 0.00366 0.01013 -0.01600 -0.00552 147 4YZ -0.00084 0.00400 0.00370 0.00493 0.01406 148 16 C 1S -0.06699 -0.00466 0.06021 -0.10037 0.00183 149 2S 0.12629 -0.02928 -0.10674 0.00701 0.20319 150 2PX 0.12080 -0.07253 -0.16676 0.04269 0.09138 151 2PY -0.15572 -0.11038 -0.00323 -0.18688 -0.06195 152 2PZ -0.09076 0.07899 0.14848 -0.03277 -0.10157 153 3S 1.36539 0.76259 -0.92488 3.94929 -0.25501 154 3PX 0.09581 -0.36940 -0.81302 1.22568 -0.08197 155 3PY -1.27051 -1.09383 0.05549 -2.31189 0.06694 156 3PZ -0.12232 0.29695 0.59866 -0.86910 0.10428 157 4XX 0.01417 0.00361 0.00434 0.00555 0.00375 158 4YY -0.03402 -0.01562 0.01215 -0.03809 0.03343 159 4ZZ 0.01124 0.00419 -0.00662 0.00323 0.00032 160 4XY 0.00123 -0.00183 0.00167 -0.00224 0.02003 161 4XZ -0.00311 -0.00366 -0.01013 0.01600 -0.00552 162 4YZ -0.00084 0.00400 0.00370 0.00493 -0.01406 163 17 C 1S -0.00710 -0.06712 -0.08853 0.05193 -0.00339 164 2S 0.03741 0.04023 0.15357 -0.21814 0.29567 165 2PX 0.14716 0.03777 -0.00458 0.11249 0.03009 166 2PY -0.05073 0.01267 -0.01987 0.15064 -0.09124 167 2PZ -0.09088 -0.02311 0.13706 0.04713 0.03513 168 3S 0.09008 1.71667 1.79444 -0.57388 -0.57997 169 3PX 0.15605 -0.07775 -0.17982 -0.15267 -0.20789 170 3PY -0.55182 0.15338 -0.26692 2.62191 -0.15985 171 3PZ 0.01560 0.04373 0.09767 -0.21497 0.05628 172 4XX 0.00105 -0.00637 -0.00706 -0.03166 0.03130 173 4YY 0.00156 -0.01076 -0.01232 0.04058 -0.00058 174 4ZZ -0.00261 0.00460 0.01329 -0.01354 0.02082 175 4XY 0.02673 0.01170 -0.00462 -0.00048 0.00345 176 4XZ -0.00408 0.02330 0.01325 0.02861 -0.04173 177 4YZ -0.01720 -0.00436 0.01073 -0.01048 0.00547 178 18 H 1S 0.02462 0.02479 0.00913 -0.07179 -0.07406 179 2S -0.57646 -0.37978 -0.17688 0.62820 0.06197 180 19 H 1S -0.02462 -0.02479 -0.00914 0.07179 -0.07406 181 2S 0.57647 0.37978 0.17689 -0.62820 0.06197 182 20 H 1S -0.00159 -0.02620 -0.06410 0.11561 -0.05029 183 2S -0.45216 0.03326 0.48674 -0.85267 0.08707 184 21 H 1S 0.00159 0.02620 0.06410 -0.11561 -0.05029 185 2S 0.45216 -0.03325 -0.48674 0.85267 0.08707 186 22 O 1S -0.01822 0.03026 0.02724 0.04388 -0.00794 187 2S 0.01274 -0.03292 -0.06755 0.06095 -0.04079 188 2PX -0.13243 -0.05155 0.00839 -0.00400 -0.00923 189 2PY -0.01610 0.07820 0.10643 -0.10066 0.04024 190 2PZ 0.08252 0.01980 -0.02275 0.04284 -0.00585 191 3S 0.41472 -0.58753 -0.32831 -1.66912 0.33708 192 3PX -0.10959 -0.05465 0.01929 -0.09443 0.04624 193 3PY -0.15982 0.29992 0.25095 0.52479 -0.13173 194 3PZ 0.08384 -0.00264 -0.05300 -0.03157 -0.00005 195 4XX -0.00704 0.01179 -0.00266 0.04916 -0.01794 196 4YY -0.00031 0.00680 0.00122 -0.00367 -0.00658 197 4ZZ -0.01620 0.01573 0.00409 0.06016 -0.02586 198 4XY -0.01358 -0.00343 0.00067 -0.00095 -0.00567 199 4XZ -0.00003 0.01170 0.00657 0.01029 -0.00943 200 4YZ 0.00722 0.00495 -0.00709 0.00482 -0.00380 201 23 O 1S 0.01822 -0.03026 -0.02724 -0.04388 -0.00794 202 2S -0.01274 0.03292 0.06755 -0.06095 -0.04079 203 2PX 0.13243 0.05155 -0.00839 0.00400 -0.00923 204 2PY -0.01610 0.07819 0.10643 -0.10066 -0.04024 205 2PZ -0.08252 -0.01980 0.02275 -0.04284 -0.00585 206 3S -0.41473 0.58753 0.32831 1.66912 0.33709 207 3PX 0.10959 0.05466 -0.01929 0.09443 0.04624 208 3PY -0.15982 0.29992 0.25095 0.52479 0.13174 209 3PZ -0.08384 0.00264 0.05300 0.03157 -0.00005 210 4XX 0.00704 -0.01179 0.00266 -0.04916 -0.01794 211 4YY 0.00031 -0.00680 -0.00122 0.00367 -0.00658 212 4ZZ 0.01620 -0.01573 -0.00409 -0.06016 -0.02586 213 4XY -0.01358 -0.00343 0.00067 -0.00095 0.00567 214 4XZ 0.00003 -0.01170 -0.00657 -0.01029 -0.00943 215 4YZ 0.00722 0.00495 -0.00709 0.00482 0.00380 76 77 78 79 80 V V V V V Eigenvalues -- 0.47957 0.49606 0.52000 0.52127 0.53036 1 1 C 1S -0.00057 -0.01829 0.01358 0.01278 -0.02844 2 2S -0.01501 -0.02351 -0.15879 -0.07222 -0.02627 3 2PX 0.14516 -0.00583 -0.11339 -0.05408 -0.28198 4 2PY -0.03023 0.01091 -0.03536 0.11416 0.08093 5 2PZ 0.08111 0.14885 0.02527 -0.01886 -0.19995 6 3S 0.02396 0.44905 -0.17526 -0.42920 -0.20488 7 3PX -0.26016 0.01994 0.02334 -0.04722 0.60816 8 3PY 0.06757 0.36615 -0.20910 -0.60679 -0.17623 9 3PZ -0.05670 -0.30536 0.08198 0.15375 0.30746 10 4XX 0.00717 -0.02607 -0.00603 0.02802 -0.00137 11 4YY -0.00480 0.01982 -0.00839 -0.06722 -0.04391 12 4ZZ -0.00668 -0.00636 0.00088 0.02505 0.00855 13 4XY 0.00731 -0.00841 -0.01064 0.00268 -0.00843 14 4XZ -0.00433 0.01228 0.02611 -0.00006 0.05421 15 4YZ 0.00802 0.00935 -0.01764 -0.00166 -0.03808 16 2 C 1S -0.00330 0.00717 -0.01243 -0.01463 0.00021 17 2S 0.04596 0.08231 -0.30243 -0.26079 -0.14954 18 2PX -0.03549 0.11310 0.06317 -0.16299 0.01962 19 2PY -0.07088 0.16165 -0.09293 -0.15416 0.16708 20 2PZ 0.00602 -0.09439 0.07068 0.02862 -0.21524 21 3S 0.16897 -0.25483 0.47182 0.50698 0.06602 22 3PX -0.13073 -0.01209 -0.15464 0.05068 -0.00159 23 3PY 0.16302 -0.23293 0.05882 0.21030 -0.13809 24 3PZ 0.05541 0.08060 0.01800 -0.01368 0.03460 25 4XX -0.01099 -0.00718 -0.01189 -0.01217 0.01333 26 4YY 0.01698 0.03186 -0.04513 -0.05411 -0.03791 27 4ZZ 0.00777 -0.00340 -0.00925 0.00069 -0.01127 28 4XY 0.00264 -0.00907 -0.00667 0.01824 -0.00108 29 4XZ -0.01663 -0.00856 0.04423 0.03799 0.01695 30 4YZ -0.00017 0.00926 0.00043 -0.02307 0.00381 31 3 C 1S 0.00330 0.00717 -0.01243 -0.01463 -0.00021 32 2S -0.04597 0.08231 -0.30243 -0.26079 0.14954 33 2PX 0.03549 0.11310 0.06317 -0.16299 -0.01962 34 2PY -0.07088 -0.16165 0.09293 0.15416 0.16708 35 2PZ -0.00602 -0.09439 0.07068 0.02862 0.21524 36 3S -0.16897 -0.25483 0.47181 0.50698 -0.06600 37 3PX 0.13073 -0.01209 -0.15463 0.05068 0.00159 38 3PY 0.16302 0.23293 -0.05881 -0.21030 -0.13810 39 3PZ -0.05541 0.08060 0.01799 -0.01368 -0.03460 40 4XX 0.01099 -0.00718 -0.01189 -0.01217 -0.01334 41 4YY -0.01698 0.03186 -0.04513 -0.05411 0.03791 42 4ZZ -0.00777 -0.00340 -0.00925 0.00069 0.01127 43 4XY 0.00264 0.00907 0.00667 -0.01824 -0.00108 44 4XZ 0.01663 -0.00856 0.04423 0.03799 -0.01695 45 4YZ -0.00017 -0.00926 -0.00043 0.02307 0.00381 46 4 C 1S 0.00057 -0.01829 0.01358 0.01278 0.02844 47 2S 0.01501 -0.02351 -0.15879 -0.07221 0.02627 48 2PX -0.14516 -0.00583 -0.11339 -0.05408 0.28198 49 2PY -0.03023 -0.01091 0.03536 -0.11416 0.08093 50 2PZ -0.08111 0.14886 0.02527 -0.01886 0.19995 51 3S -0.02396 0.44906 -0.17526 -0.42921 0.20488 52 3PX 0.26016 0.01993 0.02334 -0.04721 -0.60817 53 3PY 0.06757 -0.36616 0.20910 0.60679 -0.17622 54 3PZ 0.05670 -0.30536 0.08198 0.15375 -0.30746 55 4XX -0.00717 -0.02607 -0.00603 0.02802 0.00137 56 4YY 0.00480 0.01982 -0.00839 -0.06722 0.04391 57 4ZZ 0.00668 -0.00636 0.00088 0.02505 -0.00855 58 4XY 0.00731 0.00841 0.01064 -0.00268 -0.00843 59 4XZ 0.00433 0.01228 0.02611 -0.00006 -0.05421 60 4YZ 0.00802 -0.00935 0.01764 0.00166 -0.03808 61 5 H 1S -0.00426 0.00494 0.03751 -0.15805 -0.23585 62 2S 0.01284 0.13306 -0.10664 -0.10743 -0.00933 63 6 H 1S 0.05439 0.09145 -0.10149 -0.24049 -0.06346 64 2S 0.07284 -0.05230 0.02578 0.08175 -0.07403 65 7 H 1S -0.05440 0.09145 -0.10149 -0.24049 0.06346 66 2S -0.07284 -0.05230 0.02577 0.08175 0.07403 67 8 H 1S 0.00426 0.00494 0.03751 -0.15805 0.23585 68 2S -0.01284 0.13306 -0.10664 -0.10743 0.00932 69 9 C 1S 0.00000 0.01620 -0.00021 -0.01261 0.00000 70 2S 0.00000 0.06676 -0.02814 -0.06176 0.00000 71 2PX 0.00000 -0.01742 0.01277 -0.14531 0.00000 72 2PY -0.01472 0.00000 0.00000 0.00000 0.62155 73 2PZ 0.00000 -0.12431 0.09081 0.19702 0.00000 74 3S 0.00000 -0.56110 0.13088 0.69585 0.00001 75 3PX 0.00000 -0.10394 0.18418 0.37563 0.00001 76 3PY 0.07195 0.00000 0.00000 0.00000 -0.73913 77 3PZ 0.00000 0.57860 -0.26320 -0.65142 0.00000 78 4XX 0.00000 -0.01144 0.01735 0.00099 0.00000 79 4YY 0.00000 0.01285 -0.01315 0.03408 0.00000 80 4ZZ 0.00000 0.01189 0.00054 -0.02602 0.00000 81 4XY -0.00180 0.00000 0.00000 0.00000 -0.00888 82 4XZ 0.00000 -0.03670 -0.00182 0.01393 0.00000 83 4YZ -0.00675 0.00000 0.00000 0.00000 0.00430 84 10 H 1S 0.00000 0.02159 0.08584 -0.05008 0.00000 85 2S 0.00000 0.06038 0.18744 0.12363 0.00000 86 11 H 1S 0.00000 -0.10310 -0.03406 -0.05253 0.00000 87 2S 0.00000 0.06013 -0.03609 0.01240 0.00000 88 12 C 1S 0.02360 0.00360 -0.03035 -0.01056 0.01648 89 2S -0.12513 -0.10265 -0.12874 -0.02962 0.14680 90 2PX 0.10252 0.23622 -0.16723 -0.13897 0.21548 91 2PY -0.12465 -0.01976 0.37941 -0.03141 -0.01382 92 2PZ -0.12857 0.11512 0.19060 -0.02917 0.09018 93 3S 0.37671 0.09687 0.09994 0.20396 -0.74155 94 3PX 1.23536 -0.25587 0.22611 0.23063 -0.09311 95 3PY -2.04892 0.04350 -0.45622 0.16184 -0.40214 96 3PZ -0.42211 -0.06548 -0.25023 -0.04141 -0.50138 97 4XX 0.00446 0.00081 0.01888 -0.01471 0.00896 98 4YY 0.00839 -0.00575 -0.06536 0.01127 0.01298 99 4ZZ -0.01301 -0.01310 0.00184 -0.01349 0.01464 100 4XY -0.01430 0.00147 0.02097 0.02040 0.00518 101 4XZ -0.01654 0.01242 0.03087 0.02456 -0.02123 102 4YZ 0.00693 0.00652 0.00317 0.01121 0.00641 103 13 C 1S -0.02360 0.00360 -0.03035 -0.01056 -0.01649 104 2S 0.12513 -0.10265 -0.12874 -0.02962 -0.14680 105 2PX -0.10253 0.23622 -0.16723 -0.13897 -0.21549 106 2PY -0.12465 0.01975 -0.37940 0.03141 -0.01382 107 2PZ 0.12856 0.11512 0.19060 -0.02917 -0.09018 108 3S -0.37670 0.09688 0.09995 0.20393 0.74154 109 3PX -1.23537 -0.25588 0.22611 0.23064 0.09311 110 3PY -2.04892 -0.04352 0.45622 -0.16184 -0.40214 111 3PZ 0.42212 -0.06547 -0.25022 -0.04142 0.50138 112 4XX -0.00446 0.00081 0.01888 -0.01471 -0.00896 113 4YY -0.00839 -0.00575 -0.06536 0.01127 -0.01298 114 4ZZ 0.01301 -0.01310 0.00184 -0.01349 -0.01464 115 4XY -0.01430 -0.00147 -0.02097 -0.02040 0.00518 116 4XZ 0.01654 0.01242 0.03087 0.02456 0.02123 117 4YZ 0.00692 -0.00652 -0.00317 -0.01121 0.00641 118 14 C 1S 0.01114 0.00684 0.01323 0.01835 0.00340 119 2S -0.04057 -0.13558 -0.13378 -0.21668 -0.03361 120 2PX -0.44435 0.25142 -0.02041 0.00471 -0.07008 121 2PY 0.01866 -0.07237 -0.10032 -0.15208 -0.06156 122 2PZ 0.28994 0.29611 0.21999 -0.04793 0.06345 123 3S -0.14336 0.21052 0.24042 0.67831 0.06300 124 3PX -1.60210 -0.24905 -0.00697 -0.17275 -0.59111 125 3PY -0.09894 -0.06897 -0.00440 0.13554 -0.30539 126 3PZ 1.18806 -0.23453 -0.18633 0.15280 0.24680 127 4XX 0.00661 -0.02111 0.00003 0.01242 -0.01103 128 4YY 0.00099 0.00983 -0.00526 -0.01160 0.00063 129 4ZZ -0.00790 -0.00708 -0.00209 -0.00453 0.00432 130 4XY 0.02186 -0.01601 0.03583 -0.01543 0.00075 131 4XZ 0.00238 0.01240 -0.01048 -0.02480 -0.00450 132 4YZ -0.01225 0.00772 -0.02932 0.01226 -0.00894 133 15 C 1S 0.01833 -0.00974 0.01022 -0.02311 -0.00931 134 2S -0.06068 -0.16647 -0.01680 -0.14051 -0.01791 135 2PX -0.12340 0.21470 -0.03110 0.24440 -0.04813 136 2PY 0.09227 -0.18318 0.20380 -0.30738 0.06272 137 2PZ 0.08876 0.22692 0.15671 -0.06054 -0.02341 138 3S 0.89191 0.07214 0.11583 -0.22678 0.62433 139 3PX -0.75151 -0.19760 0.07319 -0.37983 -0.04675 140 3PY 2.36074 0.30165 -0.33759 0.56318 0.89447 141 3PZ 0.64956 -0.11190 -0.14190 0.16823 0.18451 142 4XX 0.00299 0.00552 -0.01850 -0.00878 -0.00008 143 4YY 0.01882 -0.04271 0.03060 -0.04930 -0.00544 144 4ZZ -0.00141 0.00010 -0.01579 0.00691 -0.00060 145 4XY -0.00876 0.01625 -0.00519 0.00855 -0.00136 146 4XZ -0.02186 0.00899 0.01304 0.03870 0.00348 147 4YZ 0.00810 -0.00215 0.00776 0.00343 0.00327 148 16 C 1S -0.01833 -0.00974 0.01022 -0.02311 0.00931 149 2S 0.06069 -0.16647 -0.01680 -0.14051 0.01791 150 2PX 0.12340 0.21470 -0.03110 0.24441 0.04813 151 2PY 0.09227 0.18318 -0.20380 0.30737 0.06272 152 2PZ -0.08876 0.22692 0.15671 -0.06054 0.02341 153 3S -0.89191 0.07211 0.11582 -0.22675 -0.62433 154 3PX 0.75153 -0.19760 0.07320 -0.37984 0.04675 155 3PY 2.36073 -0.30160 0.33760 -0.56321 0.89447 156 3PZ -0.64956 -0.11191 -0.14190 0.16823 -0.18451 157 4XX -0.00299 0.00552 -0.01850 -0.00878 0.00008 158 4YY -0.01881 -0.04271 0.03060 -0.04930 0.00544 159 4ZZ 0.00141 0.00010 -0.01579 0.00691 0.00060 160 4XY -0.00876 -0.01625 0.00519 -0.00855 -0.00136 161 4XZ 0.02186 0.00899 0.01304 0.03870 -0.00348 162 4YZ 0.00810 0.00215 -0.00777 -0.00343 0.00327 163 17 C 1S -0.01114 0.00684 0.01323 0.01835 -0.00340 164 2S 0.04058 -0.13557 -0.13378 -0.21668 0.03361 165 2PX 0.44435 0.25143 -0.02040 0.00471 0.07007 166 2PY 0.01865 0.07237 0.10032 0.15208 -0.06156 167 2PZ -0.28994 0.29610 0.21999 -0.04793 -0.06345 168 3S 0.14335 0.21052 0.24042 0.67831 -0.06300 169 3PX 1.60210 -0.24902 -0.00697 -0.17277 0.59111 170 3PY -0.09896 0.06896 0.00440 -0.13552 -0.30540 171 3PZ -1.18805 -0.23455 -0.18633 0.15281 -0.24680 172 4XX -0.00661 -0.02111 0.00003 0.01242 0.01103 173 4YY -0.00099 0.00983 -0.00526 -0.01160 -0.00063 174 4ZZ 0.00790 -0.00708 -0.00209 -0.00453 -0.00432 175 4XY 0.02187 0.01601 -0.03583 0.01543 0.00075 176 4XZ -0.00238 0.01240 -0.01048 -0.02480 0.00450 177 4YZ -0.01225 -0.00772 0.02932 -0.01226 -0.00894 178 18 H 1S 0.03971 -0.05555 -0.14552 -0.10864 0.04485 179 2S 0.04932 0.01688 -0.14455 -0.11318 0.00719 180 19 H 1S -0.03971 -0.05555 -0.14552 -0.10864 -0.04485 181 2S -0.04932 0.01688 -0.14455 -0.11319 -0.00719 182 20 H 1S 0.07181 -0.01988 -0.02645 -0.16658 -0.02054 183 2S 0.09609 -0.05746 0.04022 0.01181 0.12680 184 21 H 1S -0.07181 -0.01988 -0.02645 -0.16659 0.02053 185 2S -0.09609 -0.05746 0.04022 0.01182 -0.12680 186 22 O 1S 0.00303 0.00222 0.00358 0.00288 -0.00981 187 2S -0.01810 0.02891 0.00890 0.00424 -0.00298 188 2PX 0.01884 -0.04166 0.13026 -0.07620 -0.00419 189 2PY 0.01832 -0.03477 -0.00449 -0.00599 -0.00006 190 2PZ -0.00852 0.05003 -0.08248 0.03597 -0.00762 191 3S 0.04336 -0.16498 -0.10977 -0.09479 0.27031 192 3PX -0.25883 0.00899 0.01664 0.02146 -0.06724 193 3PY 0.00255 0.06095 0.05877 0.07122 -0.11464 194 3PZ 0.18949 0.01959 -0.00346 -0.01277 0.05371 195 4XX -0.00038 0.01646 0.00359 0.00879 -0.00890 196 4YY -0.00155 -0.00426 0.00142 0.00339 -0.00495 197 4ZZ -0.00304 0.01471 0.01066 -0.00242 -0.00866 198 4XY -0.01526 -0.01865 0.01307 -0.00863 0.00026 199 4XZ -0.00185 0.00654 0.00008 0.00270 0.00088 200 4YZ 0.00836 -0.01373 -0.02270 0.00718 0.00197 201 23 O 1S -0.00303 0.00222 0.00358 0.00288 0.00981 202 2S 0.01810 0.02891 0.00890 0.00424 0.00298 203 2PX -0.01884 -0.04166 0.13026 -0.07620 0.00419 204 2PY 0.01832 0.03477 0.00449 0.00599 -0.00006 205 2PZ 0.00852 0.05003 -0.08248 0.03597 0.00762 206 3S -0.04335 -0.16499 -0.10977 -0.09478 -0.27030 207 3PX 0.25883 0.00900 0.01664 0.02145 0.06724 208 3PY 0.00255 -0.06096 -0.05877 -0.07122 -0.11464 209 3PZ -0.18949 0.01959 -0.00346 -0.01277 -0.05371 210 4XX 0.00038 0.01646 0.00359 0.00879 0.00890 211 4YY 0.00155 -0.00426 0.00142 0.00339 0.00495 212 4ZZ 0.00304 0.01471 0.01066 -0.00242 0.00865 213 4XY -0.01526 0.01865 -0.01307 0.00863 0.00026 214 4XZ 0.00185 0.00654 0.00008 0.00270 -0.00088 215 4YZ 0.00836 0.01373 0.02270 -0.00718 0.00197 81 82 83 84 85 V V V V V Eigenvalues -- 0.53641 0.55466 0.57275 0.57829 0.58670 1 1 C 1S 0.02913 0.01519 0.03250 -0.04737 -0.02595 2 2S 0.03427 -0.01776 -0.12901 0.16028 -0.09138 3 2PX 0.06959 -0.11407 0.21551 0.30671 -0.00177 4 2PY -0.16983 -0.01790 -0.04457 0.04797 -0.00525 5 2PZ 0.03338 -0.01622 0.19137 -0.15001 0.07802 6 3S -0.20755 -0.39346 0.25249 0.78174 0.48809 7 3PX -0.30348 -0.23325 -0.60228 0.11293 0.06182 8 3PY 0.09828 -0.30706 -0.17170 0.49465 0.35792 9 3PZ -0.04229 -0.03484 -0.37165 -0.28321 -0.22677 10 4XX -0.00767 -0.01575 0.00434 0.01391 -0.01813 11 4YY 0.06472 0.00273 -0.00262 -0.00574 -0.01748 12 4ZZ -0.02506 0.00982 0.00965 -0.01245 0.00135 13 4XY 0.02863 0.04566 0.00457 -0.00490 -0.01174 14 4XZ -0.02342 -0.00042 -0.04510 0.01813 0.02226 15 4YZ -0.01520 -0.01894 0.05151 -0.00077 -0.01357 16 2 C 1S -0.00923 -0.01322 -0.02651 0.08125 0.01225 17 2S 0.14177 -0.14230 -0.00112 -0.10004 -0.04300 18 2PX 0.03448 -0.35595 -0.17120 0.07541 -0.10675 19 2PY -0.20634 -0.22910 -0.12294 -0.18684 0.13943 20 2PZ 0.19965 -0.30812 0.09085 -0.06068 -0.27205 21 3S -0.08602 0.28962 0.16798 -1.26333 -0.12625 22 3PX -0.11750 0.18701 0.09854 0.80344 0.30623 23 3PY 0.24779 0.31396 0.16883 -0.36706 -0.25351 24 3PZ -0.05734 0.39195 0.12641 -0.61161 0.15703 25 4XX 0.00838 0.00617 -0.02343 0.00145 0.00335 26 4YY -0.00527 -0.05103 -0.00461 0.04183 0.01139 27 4ZZ 0.02242 0.00498 -0.00119 -0.00584 -0.01744 28 4XY -0.02591 -0.03963 0.03268 0.00091 -0.02382 29 4XZ -0.01672 0.00790 0.02780 -0.05673 0.00459 30 4YZ 0.04521 0.01410 -0.01935 -0.00053 -0.01439 31 3 C 1S -0.00923 -0.01322 -0.02651 -0.08125 0.01225 32 2S 0.14177 -0.14230 -0.00112 0.10004 -0.04300 33 2PX 0.03448 -0.35594 -0.17120 -0.07540 -0.10676 34 2PY 0.20634 0.22909 0.12294 -0.18683 -0.13943 35 2PZ 0.19965 -0.30812 0.09085 0.06069 -0.27205 36 3S -0.08601 0.28964 0.16796 1.26334 -0.12624 37 3PX -0.11750 0.18700 0.09855 -0.80346 0.30623 38 3PY -0.24779 -0.31396 -0.16882 -0.36706 0.25351 39 3PZ -0.05734 0.39196 0.12641 0.61161 0.15704 40 4XX 0.00838 0.00617 -0.02343 -0.00145 0.00335 41 4YY -0.00527 -0.05103 -0.00461 -0.04183 0.01139 42 4ZZ 0.02242 0.00498 -0.00119 0.00584 -0.01744 43 4XY 0.02591 0.03963 -0.03268 0.00091 0.02382 44 4XZ -0.01672 0.00790 0.02780 0.05673 0.00459 45 4YZ -0.04521 -0.01410 0.01935 -0.00053 0.01439 46 4 C 1S 0.02913 0.01519 0.03250 0.04737 -0.02595 47 2S 0.03427 -0.01776 -0.12901 -0.16028 -0.09138 48 2PX 0.06959 -0.11407 0.21551 -0.30671 -0.00177 49 2PY 0.16983 0.01790 0.04457 0.04796 0.00525 50 2PZ 0.03338 -0.01622 0.19137 0.15002 0.07802 51 3S -0.20755 -0.39346 0.25250 -0.78176 0.48810 52 3PX -0.30348 -0.23325 -0.60228 -0.11295 0.06182 53 3PY -0.09827 0.30707 0.17168 0.49467 -0.35792 54 3PZ -0.04229 -0.03484 -0.37165 0.28321 -0.22676 55 4XX -0.00767 -0.01575 0.00434 -0.01391 -0.01813 56 4YY 0.06472 0.00273 -0.00262 0.00574 -0.01748 57 4ZZ -0.02506 0.00982 0.00966 0.01245 0.00135 58 4XY -0.02863 -0.04566 -0.00457 -0.00491 0.01174 59 4XZ -0.02342 -0.00042 -0.04510 -0.01813 0.02226 60 4YZ 0.01520 0.01894 -0.05151 -0.00077 0.01357 61 5 H 1S 0.32292 0.14165 -0.06478 -0.08796 -0.03436 62 2S -0.16180 -0.20884 -0.12787 0.26077 0.15877 63 6 H 1S 0.18856 0.06747 -0.22943 0.23867 0.03362 64 2S -0.03556 -0.00493 0.23505 -0.59805 -0.15166 65 7 H 1S 0.18856 0.06747 -0.22943 -0.23867 0.03362 66 2S -0.03556 -0.00493 0.23504 0.59805 -0.15166 67 8 H 1S 0.32291 0.14165 -0.06478 0.08796 -0.03435 68 2S -0.16180 -0.20884 -0.12786 -0.26078 0.15877 69 9 C 1S -0.01049 0.00779 -0.02260 0.00000 0.00223 70 2S 0.16702 -0.04528 0.16700 0.00000 -0.01078 71 2PX -0.13133 -0.15319 0.12072 0.00000 -0.02321 72 2PY 0.00000 0.00000 -0.00001 0.29791 0.00000 73 2PZ -0.16883 0.11571 -0.57275 0.00000 0.23366 74 3S -0.36994 0.18366 0.06623 0.00001 -0.23585 75 3PX 0.44255 0.74034 0.14755 0.00001 -0.30473 76 3PY 0.00000 0.00000 0.00000 -0.28568 0.00000 77 3PZ -0.05421 -0.42583 0.82382 0.00000 -0.01861 78 4XX 0.03243 0.06741 -0.01380 0.00000 -0.00041 79 4YY -0.03725 -0.02013 0.03757 0.00000 0.00159 80 4ZZ 0.01800 -0.03563 -0.02434 0.00000 -0.01109 81 4XY 0.00000 0.00000 0.00000 -0.00155 0.00000 82 4XZ -0.01579 -0.04763 -0.02083 0.00000 -0.00289 83 4YZ 0.00000 0.00000 0.00000 -0.00064 0.00000 84 10 H 1S 0.13350 0.31962 -0.13604 0.00000 0.02521 85 2S 0.27500 0.29705 0.07744 0.00001 -0.32381 86 11 H 1S 0.10089 -0.12796 -0.14434 0.00000 -0.01464 87 2S 0.05050 0.03037 -0.08023 0.00000 0.13844 88 12 C 1S -0.00613 0.00890 -0.00495 -0.02743 -0.00587 89 2S 0.21129 0.02576 0.10147 0.03088 -0.11695 90 2PX -0.08970 0.06492 0.13454 -0.06639 0.13949 91 2PY 0.06223 -0.13912 0.03157 0.02046 0.11857 92 2PZ 0.18170 0.00080 0.14289 -0.01701 0.22141 93 3S -0.32449 -0.11989 -0.37846 0.71393 -0.27181 94 3PX -0.00300 0.01949 -0.11220 0.07064 -0.11325 95 3PY -0.12368 0.12322 -0.08021 -0.22747 -0.30749 96 3PZ -0.12435 0.05072 -0.33001 0.35094 -0.36039 97 4XX 0.00115 -0.01287 0.00232 -0.00334 -0.02529 98 4YY 0.02603 0.01658 0.01264 0.00230 -0.02521 99 4ZZ -0.00249 -0.00427 -0.01013 -0.00789 0.01369 100 4XY -0.02577 0.00418 0.01141 -0.00144 -0.02194 101 4XZ 0.00366 -0.01552 0.00729 0.00389 0.05575 102 4YZ 0.00076 -0.00579 0.01774 0.00363 0.00717 103 13 C 1S -0.00613 0.00890 -0.00495 0.02743 -0.00587 104 2S 0.21130 0.02576 0.10147 -0.03088 -0.11695 105 2PX -0.08970 0.06492 0.13454 0.06638 0.13949 106 2PY -0.06223 0.13912 -0.03156 0.02046 -0.11857 107 2PZ 0.18171 0.00080 0.14289 0.01701 0.22141 108 3S -0.32448 -0.11989 -0.37846 -0.71393 -0.27182 109 3PX -0.00302 0.01948 -0.11219 -0.07064 -0.11324 110 3PY 0.12369 -0.12322 0.08021 -0.22747 0.30748 111 3PZ -0.12435 0.05072 -0.33001 -0.35094 -0.36039 112 4XX 0.00115 -0.01287 0.00232 0.00334 -0.02529 113 4YY 0.02603 0.01658 0.01264 -0.00230 -0.02521 114 4ZZ -0.00249 -0.00427 -0.01013 0.00789 0.01369 115 4XY 0.02577 -0.00418 -0.01141 -0.00144 0.02194 116 4XZ 0.00366 -0.01552 0.00729 -0.00389 0.05575 117 4YZ -0.00076 0.00579 -0.01774 0.00362 -0.00717 118 14 C 1S 0.01710 -0.01238 0.00732 -0.00302 0.00398 119 2S 0.12947 0.10143 -0.03683 -0.04147 0.01107 120 2PX 0.03359 0.00497 -0.18108 -0.13041 -0.08018 121 2PY -0.03231 0.08961 0.10781 0.10890 -0.07228 122 2PZ 0.02854 0.11378 0.02272 -0.32965 0.06521 123 3S 0.04460 -0.34988 -0.11559 -0.07165 0.36436 124 3PX -0.03667 0.14940 0.40469 0.42659 0.29126 125 3PY -0.00907 0.09803 0.27553 0.44787 0.01424 126 3PZ -0.01288 -0.22425 -0.03128 0.31720 -0.23165 127 4XX 0.04660 -0.00583 0.01159 -0.00108 0.02567 128 4YY -0.00624 0.00279 -0.00271 -0.00368 -0.00625 129 4ZZ 0.01326 -0.00323 -0.01608 -0.01141 0.00243 130 4XY -0.00702 -0.00065 0.00090 -0.00411 -0.01351 131 4XZ -0.05397 0.01351 0.00450 0.01268 -0.01914 132 4YZ 0.00519 -0.00160 -0.00335 0.00208 0.00532 133 15 C 1S -0.01378 0.01076 0.01178 0.01085 0.00042 134 2S 0.09154 0.08938 0.14401 -0.02389 0.18023 135 2PX 0.19076 0.02479 0.01912 -0.17960 -0.13801 136 2PY -0.13205 0.08978 0.06713 -0.01982 -0.07872 137 2PZ -0.18986 0.18622 0.04181 -0.23422 -0.44528 138 3S -0.13747 0.07285 -0.03091 -0.74346 -0.13789 139 3PX -0.21878 0.06044 -0.03867 0.09600 0.13402 140 3PY 0.19670 -0.19924 -0.18153 -0.74001 0.08593 141 3PZ 0.21769 -0.21784 -0.06171 0.25988 0.45844 142 4XX -0.00974 0.01366 0.01075 -0.01225 0.00177 143 4YY 0.00137 0.01874 0.02210 -0.00807 0.01346 144 4ZZ 0.00790 -0.00213 0.00868 0.00861 0.02574 145 4XY -0.01938 0.00461 0.00507 0.01353 -0.01573 146 4XZ 0.01824 -0.02751 -0.03366 -0.00312 -0.02668 147 4YZ 0.01009 0.01092 -0.00130 0.00442 -0.03238 148 16 C 1S -0.01378 0.01076 0.01178 -0.01085 0.00042 149 2S 0.09154 0.08938 0.14401 0.02389 0.18023 150 2PX 0.19076 0.02479 0.01912 0.17961 -0.13800 151 2PY 0.13205 -0.08978 -0.06713 -0.01982 0.07873 152 2PZ -0.18986 0.18622 0.04181 0.23423 -0.44528 153 3S -0.13749 0.07285 -0.03091 0.74346 -0.13789 154 3PX -0.21878 0.06045 -0.03867 -0.09601 0.13402 155 3PY -0.19668 0.19924 0.18152 -0.74001 -0.08594 156 3PZ 0.21769 -0.21784 -0.06170 -0.25989 0.45843 157 4XX -0.00974 0.01366 0.01075 0.01225 0.00177 158 4YY 0.00137 0.01874 0.02210 0.00807 0.01346 159 4ZZ 0.00790 -0.00213 0.00868 -0.00861 0.02574 160 4XY 0.01938 -0.00461 -0.00507 0.01353 0.01573 161 4XZ 0.01824 -0.02752 -0.03366 0.00312 -0.02668 162 4YZ -0.01009 -0.01092 0.00131 0.00442 0.03238 163 17 C 1S 0.01710 -0.01238 0.00732 0.00302 0.00398 164 2S 0.12947 0.10142 -0.03683 0.04147 0.01107 165 2PX 0.03359 0.00496 -0.18108 0.13041 -0.08017 166 2PY 0.03231 -0.08961 -0.10781 0.10889 0.07229 167 2PZ 0.02853 0.11378 0.02271 0.32965 0.06522 168 3S 0.04460 -0.34987 -0.11560 0.07165 0.36436 169 3PX -0.03666 0.14940 0.40467 -0.42658 0.29126 170 3PY 0.00907 -0.09802 -0.27554 0.44787 -0.01424 171 3PZ -0.01289 -0.22425 -0.03127 -0.31720 -0.23166 172 4XX 0.04660 -0.00583 0.01159 0.00108 0.02567 173 4YY -0.00624 0.00279 -0.00271 0.00368 -0.00625 174 4ZZ 0.01326 -0.00323 -0.01608 0.01141 0.00243 175 4XY 0.00702 0.00065 -0.00090 -0.00411 0.01351 176 4XZ -0.05397 0.01351 0.00450 -0.01268 -0.01914 177 4YZ -0.00518 0.00160 0.00335 0.00208 -0.00532 178 18 H 1S -0.05490 0.08207 -0.12662 -0.09053 -0.17628 179 2S 0.16105 0.03891 -0.03380 0.05012 0.10960 180 19 H 1S -0.05490 0.08207 -0.12662 0.09052 -0.17628 181 2S 0.16105 0.03891 -0.03380 -0.05012 0.10960 182 20 H 1S -0.16009 0.11742 0.12796 0.01621 0.05258 183 2S 0.06160 -0.00385 -0.07024 -0.18837 -0.03583 184 21 H 1S -0.16009 0.11742 0.12796 -0.01621 0.05258 185 2S 0.06160 -0.00385 -0.07024 0.18837 -0.03583 186 22 O 1S -0.00183 -0.00565 -0.01638 0.01346 0.00337 187 2S 0.03131 -0.01733 0.02927 -0.02113 0.02652 188 2PX 0.00163 -0.01152 -0.06053 0.04761 -0.06663 189 2PY 0.02866 0.00897 -0.02622 0.02032 0.01177 190 2PZ 0.01378 0.02836 -0.01805 0.05792 0.02695 191 3S -0.02792 0.19398 0.28710 -0.34118 -0.12218 192 3PX -0.00905 -0.01362 0.00888 0.01378 -0.03780 193 3PY -0.01414 -0.09233 -0.16834 0.15738 0.05732 194 3PZ -0.00189 0.03027 0.02863 -0.00702 0.03283 195 4XX 0.00223 -0.00568 -0.00173 0.00667 -0.00317 196 4YY 0.01816 -0.00845 -0.00247 -0.00271 0.01842 197 4ZZ 0.00393 -0.01124 -0.00570 -0.00079 0.01655 198 4XY -0.00486 -0.00079 0.01162 -0.00783 -0.00267 199 4XZ -0.00635 0.00004 0.00212 0.00584 -0.00166 200 4YZ -0.00363 -0.00623 -0.00186 -0.01988 -0.00236 201 23 O 1S -0.00183 -0.00565 -0.01638 -0.01346 0.00337 202 2S 0.03131 -0.01733 0.02927 0.02113 0.02652 203 2PX 0.00163 -0.01152 -0.06053 -0.04761 -0.06663 204 2PY -0.02866 -0.00897 0.02622 0.02032 -0.01177 205 2PZ 0.01378 0.02836 -0.01805 -0.05792 0.02695 206 3S -0.02793 0.19398 0.28709 0.34119 -0.12218 207 3PX -0.00905 -0.01361 0.00888 -0.01377 -0.03780 208 3PY 0.01414 0.09233 0.16834 0.15738 -0.05732 209 3PZ -0.00189 0.03027 0.02863 0.00702 0.03283 210 4XX 0.00223 -0.00568 -0.00173 -0.00667 -0.00317 211 4YY 0.01816 -0.00845 -0.00247 0.00271 0.01842 212 4ZZ 0.00393 -0.01124 -0.00570 0.00079 0.01655 213 4XY 0.00486 0.00079 -0.01162 -0.00783 0.00267 214 4XZ -0.00635 0.00004 0.00212 -0.00584 -0.00166 215 4YZ 0.00363 0.00623 0.00186 -0.01988 0.00236 86 87 88 89 90 V V V V V Eigenvalues -- 0.59285 0.61079 0.62470 0.63899 0.65215 1 1 C 1S -0.01350 -0.00362 -0.02186 -0.00449 0.00362 2 2S 0.11259 0.04211 0.00663 0.14882 0.00255 3 2PX 0.12253 -0.06602 0.20852 0.03861 -0.07403 4 2PY 0.23567 -0.06586 -0.00574 0.09632 -0.00692 5 2PZ 0.14890 -0.41244 -0.15933 -0.01364 -0.10246 6 3S -0.89122 0.48964 -0.03087 -0.64916 0.14699 7 3PX -0.23721 0.12144 -0.37099 0.11910 0.16035 8 3PY -0.96782 0.57290 -0.05901 -0.33620 0.22313 9 3PZ -0.16657 0.50463 0.12419 0.24299 0.23337 10 4XX 0.02968 -0.00064 -0.01303 0.02558 0.00140 11 4YY -0.04431 0.00259 -0.00582 -0.00738 0.01317 12 4ZZ -0.00753 0.01145 -0.00756 -0.00724 -0.00422 13 4XY 0.04007 -0.01132 0.00137 0.01142 -0.00735 14 4XZ 0.05183 -0.02681 0.04075 0.02409 -0.00587 15 4YZ -0.00530 -0.03151 0.01360 0.01080 -0.00396 16 2 C 1S 0.00808 0.04582 0.02669 0.02257 0.00563 17 2S -0.04508 0.01169 -0.00733 -0.06213 0.01163 18 2PX 0.30931 -0.22160 0.07148 0.43454 0.12741 19 2PY -0.07805 -0.28801 0.18230 -0.18097 -0.03846 20 2PZ 0.18046 -0.03098 -0.25003 0.42442 0.20699 21 3S 0.18967 -0.65709 0.14868 0.40489 -0.24843 22 3PX -0.49207 0.57200 -0.10020 -0.92243 -0.14107 23 3PY 0.28092 -0.19849 -0.21567 0.33047 -0.17179 24 3PZ -0.06863 -0.26167 0.30157 -0.59737 -0.44784 25 4XX -0.01284 0.01563 0.01511 -0.01318 0.00163 26 4YY -0.02591 0.05292 0.01705 0.03670 0.00494 27 4ZZ 0.05583 -0.03262 0.00067 0.00830 -0.00179 28 4XY 0.01240 0.00068 0.00625 -0.00868 -0.00268 29 4XZ -0.03952 -0.02299 -0.04245 -0.02971 0.00268 30 4YZ 0.03057 0.00057 -0.01014 0.00082 -0.00152 31 3 C 1S 0.00808 -0.04582 0.02669 -0.02257 -0.00563 32 2S -0.04508 -0.01170 -0.00733 0.06213 -0.01163 33 2PX 0.30930 0.22161 0.07149 -0.43454 -0.12741 34 2PY 0.07806 -0.28801 -0.18231 -0.18097 -0.03846 35 2PZ 0.18046 0.03100 -0.25002 -0.42442 -0.20699 36 3S 0.18962 0.65709 0.14868 -0.40490 0.24843 37 3PX -0.49203 -0.57202 -0.10021 0.92243 0.14107 38 3PY -0.28090 -0.19850 0.21567 0.33047 -0.17178 39 3PZ -0.06865 0.26166 0.30157 0.59736 0.44784 40 4XX -0.01284 -0.01563 0.01510 0.01318 -0.00163 41 4YY -0.02590 -0.05292 0.01705 -0.03670 -0.00494 42 4ZZ 0.05583 0.03262 0.00067 -0.00830 0.00179 43 4XY -0.01240 0.00068 -0.00625 -0.00868 -0.00268 44 4XZ -0.03952 0.02299 -0.04245 0.02971 -0.00268 45 4YZ -0.03057 0.00057 0.01014 0.00082 -0.00152 46 4 C 1S -0.01350 0.00362 -0.02186 0.00450 -0.00362 47 2S 0.11260 -0.04211 0.00663 -0.14883 -0.00255 48 2PX 0.12253 0.06602 0.20852 -0.03861 0.07403 49 2PY -0.23566 -0.06587 0.00574 0.09632 -0.00692 50 2PZ 0.14888 0.41244 -0.15932 0.01364 0.10246 51 3S -0.89119 -0.48967 -0.03087 0.64916 -0.14699 52 3PX -0.23720 -0.12143 -0.37098 -0.11910 -0.16035 53 3PY 0.96779 0.57294 0.05901 -0.33621 0.22313 54 3PZ -0.16656 -0.50464 0.12417 -0.24298 -0.23336 55 4XX 0.02968 0.00065 -0.01303 -0.02558 -0.00140 56 4YY -0.04431 -0.00260 -0.00582 0.00738 -0.01318 57 4ZZ -0.00753 -0.01145 -0.00756 0.00724 0.00422 58 4XY -0.04007 -0.01132 -0.00137 0.01142 -0.00735 59 4XZ 0.05183 0.02681 0.04075 -0.02410 0.00587 60 4YZ 0.00530 -0.03152 -0.01360 0.01080 -0.00396 61 5 H 1S -0.07044 0.08758 -0.07924 -0.06264 0.08929 62 2S -0.28080 0.22867 -0.09080 -0.01586 0.09099 63 6 H 1S 0.10866 0.19331 0.15201 0.12336 0.01452 64 2S 0.06211 -0.31830 -0.01938 0.04453 -0.11938 65 7 H 1S 0.10868 -0.19332 0.15200 -0.12336 -0.01452 66 2S 0.06209 0.31830 -0.01937 -0.04453 0.11938 67 8 H 1S -0.07044 -0.08758 -0.07925 0.06264 -0.08929 68 2S -0.28079 -0.22868 -0.09080 0.01586 -0.09099 69 9 C 1S 0.02489 0.00000 -0.00156 0.00000 0.00000 70 2S -0.37104 -0.00001 -0.07372 0.00000 0.00000 71 2PX -0.28340 0.00000 0.01400 0.00000 0.00000 72 2PY 0.00000 0.02306 0.00000 0.25274 -0.06884 73 2PZ 0.28980 0.00000 0.04210 0.00000 0.00000 74 3S 1.31490 0.00003 -0.09614 0.00000 0.00000 75 3PX 0.98062 0.00001 0.20175 0.00000 0.00000 76 3PY 0.00000 0.28667 0.00000 -0.41694 0.24205 77 3PZ -1.11272 -0.00002 -0.09903 0.00000 0.00000 78 4XX 0.02822 0.00000 0.03860 0.00000 0.00000 79 4YY -0.00224 0.00000 -0.03163 0.00000 0.00000 80 4ZZ -0.03735 0.00000 -0.02824 0.00000 0.00000 81 4XY 0.00000 0.02999 0.00000 -0.01804 0.01201 82 4XZ -0.04644 0.00000 -0.02731 0.00000 0.00000 83 4YZ 0.00000 -0.04702 0.00000 0.00970 -0.00560 84 10 H 1S 0.28757 0.00000 0.10339 0.00000 0.00000 85 2S 0.28669 0.00000 0.07127 0.00000 0.00000 86 11 H 1S -0.01364 0.00000 -0.08863 0.00000 0.00000 87 2S 0.20541 0.00000 0.04559 0.00000 0.00000 88 12 C 1S -0.00130 -0.00823 0.00032 0.00345 0.01966 89 2S -0.11246 0.13457 0.02836 -0.02141 -0.08066 90 2PX 0.03131 -0.13402 -0.06096 0.11217 0.10445 91 2PY -0.09011 -0.17175 0.11143 0.04526 -0.12130 92 2PZ -0.05441 -0.13207 0.16643 0.15071 -0.12006 93 3S 0.17427 -0.53899 -0.34169 0.02605 -0.41991 94 3PX -0.02561 0.24069 0.03693 -0.08773 -0.10385 95 3PY 0.24200 0.34979 -0.28488 -0.55150 0.50507 96 3PZ -0.09855 -0.24805 -0.38258 -0.35995 0.01454 97 4XX 0.01488 0.04098 -0.00203 -0.02888 0.01468 98 4YY 0.00356 -0.02841 -0.01249 0.01448 -0.03113 99 4ZZ -0.02603 -0.00346 0.01884 0.00558 0.00865 100 4XY 0.01995 0.00621 -0.00675 -0.00110 0.02105 101 4XZ 0.03279 0.00983 0.01784 0.00539 -0.02669 102 4YZ 0.02346 0.00162 0.02113 -0.00147 -0.00884 103 13 C 1S -0.00130 0.00822 0.00032 -0.00345 -0.01966 104 2S -0.11246 -0.13458 0.02836 0.02141 0.08066 105 2PX 0.03130 0.13402 -0.06095 -0.11217 -0.10445 106 2PY 0.09012 -0.17174 -0.11144 0.04527 -0.12130 107 2PZ -0.05442 0.13207 0.16643 -0.15071 0.12006 108 3S 0.17426 0.53900 -0.34168 -0.02605 0.41990 109 3PX -0.02558 -0.24069 0.03694 0.08773 0.10386 110 3PY -0.24201 0.34978 0.28489 -0.55150 0.50507 111 3PZ -0.09856 0.24805 -0.38257 0.35995 -0.01455 112 4XX 0.01489 -0.04098 -0.00203 0.02888 -0.01468 113 4YY 0.00356 0.02841 -0.01249 -0.01448 0.03113 114 4ZZ -0.02603 0.00346 0.01885 -0.00558 -0.00865 115 4XY -0.01995 0.00621 0.00675 -0.00110 0.02105 116 4XZ 0.03279 -0.00982 0.01784 -0.00539 0.02669 117 4YZ -0.02346 0.00162 -0.02113 -0.00147 -0.00884 118 14 C 1S -0.00097 -0.00410 0.00631 0.00443 -0.02102 119 2S -0.03256 0.11989 0.02357 -0.03199 0.26659 120 2PX -0.19811 0.11278 -0.19651 0.09859 -0.05343 121 2PY 0.06511 -0.01928 0.00777 0.04719 -0.54565 122 2PZ 0.08963 0.16669 -0.34205 0.07784 -0.04939 123 3S -0.25727 -0.33755 0.21967 -0.15468 0.64213 124 3PX 0.31792 -0.16351 0.46441 -0.42624 -0.29149 125 3PY 0.15897 -0.09172 0.16252 -0.04620 0.21598 126 3PZ -0.10169 -0.17220 0.57530 0.11714 0.17292 127 4XX -0.00991 0.01457 0.02818 -0.01854 0.06098 128 4YY -0.00479 -0.01551 -0.01665 0.01590 -0.07467 129 4ZZ -0.00645 0.00533 0.00788 -0.00012 0.03908 130 4XY -0.00854 -0.00269 0.00933 0.00483 -0.01429 131 4XZ 0.01205 -0.00503 -0.02082 0.00250 -0.04474 132 4YZ -0.00336 0.01704 0.00510 -0.00308 -0.00959 133 15 C 1S 0.01281 0.00842 -0.00429 -0.00343 -0.01588 134 2S 0.12011 0.00685 0.09546 -0.02632 0.11316 135 2PX -0.04257 0.17662 0.29649 0.12679 -0.02597 136 2PY 0.02448 -0.06254 -0.00420 0.04641 -0.07017 137 2PZ 0.03761 0.21088 0.21503 0.23765 -0.30387 138 3S -0.06029 0.04912 -0.11970 0.02198 0.41241 139 3PX 0.07958 -0.18168 -0.43969 -0.26396 -0.08955 140 3PY -0.05401 0.07150 -0.03319 0.14607 1.07467 141 3PZ -0.09442 -0.28838 -0.28112 -0.27358 0.63768 142 4XX 0.02253 0.00939 0.00639 0.00679 -0.02393 143 4YY 0.01496 0.01745 0.01415 -0.01159 0.03364 144 4ZZ 0.00491 -0.01011 -0.01323 -0.00789 0.00595 145 4XY 0.00318 -0.00618 0.00900 -0.00050 -0.01496 146 4XZ -0.04143 -0.00635 0.01586 0.00758 0.02319 147 4YZ -0.00247 -0.00383 0.02251 -0.00721 0.01780 148 16 C 1S 0.01281 -0.00842 -0.00429 0.00343 0.01588 149 2S 0.12011 -0.00684 0.09546 0.02632 -0.11315 150 2PX -0.04257 -0.17663 0.29648 -0.12679 0.02598 151 2PY -0.02448 -0.06254 0.00419 0.04641 -0.07017 152 2PZ 0.03761 -0.21089 0.21501 -0.23765 0.30388 153 3S -0.06029 -0.04912 -0.11969 -0.02198 -0.41242 154 3PX 0.07958 0.18170 -0.43968 0.26397 0.08954 155 3PY 0.05401 0.07150 0.03318 0.14607 1.07467 156 3PZ -0.09442 0.28839 -0.28109 0.27358 -0.63768 157 4XX 0.02253 -0.00939 0.00639 -0.00679 0.02393 158 4YY 0.01496 -0.01745 0.01415 0.01159 -0.03364 159 4ZZ 0.00491 0.01011 -0.01323 0.00789 -0.00595 160 4XY -0.00318 -0.00618 -0.00900 -0.00050 -0.01496 161 4XZ -0.04143 0.00635 0.01586 -0.00758 -0.02319 162 4YZ 0.00247 -0.00382 -0.02251 -0.00721 0.01780 163 17 C 1S -0.00097 0.00410 0.00631 -0.00444 0.02102 164 2S -0.03255 -0.11990 0.02357 0.03200 -0.26659 165 2PX -0.19811 -0.11278 -0.19652 -0.09859 0.05342 166 2PY -0.06511 -0.01928 -0.00777 0.04719 -0.54564 167 2PZ 0.08963 -0.16668 -0.34206 -0.07784 0.04939 168 3S -0.25729 0.33754 0.21969 0.15468 -0.64212 169 3PX 0.31791 0.16351 0.46440 0.42624 0.29150 170 3PY -0.15896 -0.09173 -0.16253 -0.04621 0.21595 171 3PZ -0.10169 0.17217 0.57532 -0.11715 -0.17291 172 4XX -0.00991 -0.01457 0.02818 0.01854 -0.06098 173 4YY -0.00479 0.01551 -0.01665 -0.01590 0.07467 174 4ZZ -0.00645 -0.00534 0.00788 0.00012 -0.03908 175 4XY 0.00854 -0.00269 -0.00933 0.00483 -0.01429 176 4XZ 0.01205 0.00503 -0.02082 -0.00250 0.04474 177 4YZ 0.00336 0.01704 -0.00510 -0.00308 -0.00959 178 18 H 1S -0.16755 -0.12346 -0.06542 0.03710 0.03798 179 2S -0.14820 -0.24666 0.08772 0.13018 -0.20615 180 19 H 1S -0.16756 0.12345 -0.06542 -0.03709 -0.03798 181 2S -0.14821 0.24665 0.08772 -0.13018 0.20615 182 20 H 1S 0.16971 0.03587 -0.06593 -0.02848 -0.04564 183 2S -0.00766 0.01083 -0.01539 0.00133 0.24846 184 21 H 1S 0.16971 -0.03586 -0.06593 0.02848 0.04564 185 2S -0.00766 -0.01084 -0.01539 -0.00133 -0.24846 186 22 O 1S -0.00888 0.00057 -0.00434 0.00130 -0.02785 187 2S -0.01853 -0.02284 0.02975 0.01088 0.03432 188 2PX -0.10529 -0.06607 -0.01000 -0.03825 0.02033 189 2PY -0.01135 -0.03534 0.01864 0.02879 -0.19933 190 2PZ 0.02130 -0.06634 -0.07807 -0.00970 0.02254 191 3S 0.24831 0.01393 0.08436 -0.01266 0.21280 192 3PX 0.01291 0.01666 -0.04287 -0.04119 -0.01399 193 3PY -0.11557 0.03385 -0.05895 0.00241 -0.24822 194 3PZ 0.02517 0.01417 -0.04341 0.02831 0.02850 195 4XX -0.00756 -0.00413 0.00380 -0.01080 0.02859 196 4YY -0.01139 -0.02027 0.02396 0.02143 -0.10426 197 4ZZ -0.01395 -0.00101 -0.00456 0.00812 0.00992 198 4XY 0.00531 0.00549 0.01548 0.00204 0.01543 199 4XZ 0.00012 -0.00135 -0.00103 -0.00233 -0.00145 200 4YZ -0.00275 0.00755 0.01873 0.00357 0.00853 201 23 O 1S -0.00888 -0.00057 -0.00434 -0.00130 0.02785 202 2S -0.01853 0.02284 0.02976 -0.01088 -0.03432 203 2PX -0.10529 0.06607 -0.00999 0.03826 -0.02034 204 2PY 0.01136 -0.03534 -0.01864 0.02879 -0.19934 205 2PZ 0.02130 0.06635 -0.07807 0.00970 -0.02254 206 3S 0.24831 -0.01392 0.08436 0.01266 -0.21279 207 3PX 0.01291 -0.01666 -0.04287 0.04119 0.01399 208 3PY 0.11557 0.03385 0.05895 0.00241 -0.24822 209 3PZ 0.02517 -0.01417 -0.04341 -0.02831 -0.02850 210 4XX -0.00755 0.00413 0.00381 0.01080 -0.02859 211 4YY -0.01139 0.02027 0.02396 -0.02143 0.10426 212 4ZZ -0.01395 0.00101 -0.00456 -0.00812 -0.00992 213 4XY -0.00531 0.00549 -0.01548 0.00204 0.01543 214 4XZ 0.00012 0.00135 -0.00103 0.00233 0.00145 215 4YZ 0.00275 0.00755 -0.01873 0.00357 0.00853 91 92 93 94 95 V V V V V Eigenvalues -- 0.65500 0.67641 0.67943 0.68510 0.72188 1 1 C 1S 0.00931 -0.01428 0.00973 0.00995 -0.00313 2 2S -0.12894 -0.10502 -0.21157 0.02948 -0.09010 3 2PX -0.05863 0.02462 0.04106 -0.23063 -0.15483 4 2PY -0.09200 0.00335 -0.17941 -0.00800 -0.20157 5 2PZ -0.21117 0.05725 -0.58634 -0.04924 0.12561 6 3S 0.28121 0.15210 0.05182 -0.27843 0.70527 7 3PX 0.20225 -0.00462 -0.35986 0.23414 0.73636 8 3PY 0.26942 0.09953 -0.04479 0.01771 0.78581 9 3PZ 0.40188 -0.22185 1.08584 0.19375 -0.12089 10 4XX -0.00339 0.00509 -0.02019 -0.00908 0.03119 11 4YY 0.00338 -0.03115 -0.02384 0.01333 0.02086 12 4ZZ -0.00787 -0.00267 0.00615 0.00609 -0.02939 13 4XY -0.00217 0.00580 -0.01180 -0.00027 -0.02206 14 4XZ 0.00100 0.01844 0.02600 -0.01114 -0.00057 15 4YZ 0.00607 -0.01137 0.03141 -0.01465 -0.03540 16 2 C 1S -0.00221 0.00056 0.00174 -0.01226 -0.00373 17 2S 0.02061 -0.00844 -0.07720 0.06536 0.04867 18 2PX 0.04076 0.04337 0.13937 0.04957 -0.06645 19 2PY 0.00045 -0.03892 0.00194 -0.08725 0.01941 20 2PZ 0.08017 0.01653 0.00966 0.16435 0.05137 21 3S -0.03823 -0.10171 0.52275 0.11136 -0.51884 22 3PX -0.05673 -0.03551 -0.51321 -0.40283 0.38153 23 3PY -0.04291 0.10462 -0.01896 0.17036 -0.13301 24 3PZ -0.14571 -0.03008 0.10086 -0.12192 -0.33555 25 4XX 0.00011 -0.01066 0.00204 -0.00083 -0.01412 26 4YY 0.00659 0.00643 -0.00831 0.01365 0.02038 27 4ZZ -0.00329 0.00387 0.00858 -0.00639 -0.01560 28 4XY 0.00585 -0.00115 0.04297 -0.00742 -0.04337 29 4XZ 0.00682 0.00001 -0.01177 0.01139 0.03197 30 4YZ -0.00126 0.00055 -0.00672 0.00426 -0.01458 31 3 C 1S -0.00221 -0.00056 0.00174 0.01226 -0.00373 32 2S 0.02061 0.00844 -0.07720 -0.06536 0.04868 33 2PX 0.04076 -0.04336 0.13937 -0.04957 -0.06645 34 2PY -0.00045 -0.03892 -0.00194 -0.08725 -0.01941 35 2PZ 0.08018 -0.01653 0.00967 -0.16435 0.05137 36 3S -0.03823 0.10173 0.52275 -0.11135 -0.51884 37 3PX -0.05673 0.03550 -0.51322 0.40281 0.38154 38 3PY 0.04291 0.10462 0.01895 0.17036 0.13300 39 3PZ -0.14573 0.03008 0.10086 0.12192 -0.33555 40 4XX 0.00011 0.01066 0.00204 0.00083 -0.01412 41 4YY 0.00659 -0.00643 -0.00831 -0.01365 0.02038 42 4ZZ -0.00329 -0.00387 0.00857 0.00639 -0.01560 43 4XY -0.00585 -0.00115 -0.04297 -0.00742 0.04337 44 4XZ 0.00682 -0.00001 -0.01177 -0.01140 0.03197 45 4YZ 0.00126 0.00055 0.00672 0.00426 0.01458 46 4 C 1S 0.00931 0.01428 0.00973 -0.00995 -0.00313 47 2S -0.12893 0.10502 -0.21157 -0.02948 -0.09010 48 2PX -0.05863 -0.02462 0.04105 0.23063 -0.15483 49 2PY 0.09200 0.00335 0.17941 -0.00800 0.20157 50 2PZ -0.21118 -0.05726 -0.58634 0.04922 0.12561 51 3S 0.28121 -0.15210 0.05182 0.27843 0.70526 52 3PX 0.20225 0.00461 -0.35986 -0.23415 0.73637 53 3PY -0.26942 0.09953 0.04479 0.01773 -0.78580 54 3PZ 0.40190 0.22188 1.08584 -0.19372 -0.12091 55 4XX -0.00338 -0.00509 -0.02019 0.00908 0.03119 56 4YY 0.00338 0.03115 -0.02385 -0.01333 0.02086 57 4ZZ -0.00787 0.00267 0.00615 -0.00609 -0.02940 58 4XY 0.00217 0.00580 0.01180 -0.00027 0.02206 59 4XZ 0.00100 -0.01844 0.02600 0.01114 -0.00057 60 4YZ -0.00607 -0.01137 -0.03141 -0.01465 0.03540 61 5 H 1S 0.00807 -0.06886 -0.11239 0.10831 0.02522 62 2S 0.06025 0.10962 -0.19170 0.02594 0.27362 63 6 H 1S -0.01689 0.01327 0.04534 0.00787 -0.04411 64 2S 0.00190 0.04213 0.19461 0.15637 -0.21060 65 7 H 1S -0.01688 -0.01327 0.04534 -0.00787 -0.04411 66 2S 0.00189 -0.04212 0.19461 -0.15636 -0.21060 67 8 H 1S 0.00807 0.06885 -0.11239 -0.10831 0.02522 68 2S 0.06026 -0.10962 -0.19170 -0.02595 0.27361 69 9 C 1S -0.00917 0.00000 -0.04495 0.00000 0.02603 70 2S -0.02259 0.00000 0.23367 0.00000 -0.16803 71 2PX 0.30762 0.00000 -0.01653 0.00000 0.42612 72 2PY 0.00000 0.24028 0.00000 -0.01159 0.00000 73 2PZ -0.09501 0.00000 -0.18835 0.00000 0.06988 74 3S -0.37598 -0.00001 -0.84429 0.00000 -0.46960 75 3PX -0.56114 0.00001 0.20657 0.00001 -1.06094 76 3PY -0.00001 -0.40507 0.00000 -0.00896 0.00001 77 3PZ 0.16039 0.00000 0.24415 -0.00001 0.12428 78 4XX 0.01536 0.00000 0.05122 0.00000 0.00164 79 4YY -0.03612 0.00000 -0.03414 0.00000 -0.05673 80 4ZZ -0.01553 0.00000 -0.04047 0.00000 0.03230 81 4XY 0.00000 -0.00735 0.00000 -0.00266 0.00000 82 4XZ 0.01521 0.00000 0.00874 0.00000 0.06579 83 4YZ 0.00000 -0.01391 0.00000 0.00038 0.00000 84 10 H 1S 0.03702 0.00000 -0.01248 0.00000 0.07742 85 2S -0.18550 0.00000 0.07789 0.00001 -0.26144 86 11 H 1S -0.02599 0.00000 -0.24725 0.00000 0.27884 87 2S 0.01838 0.00000 -0.15466 0.00000 -0.00420 88 12 C 1S 0.00047 0.01626 -0.01663 -0.00309 -0.01160 89 2S -0.01492 0.00805 -0.08098 0.10701 0.00542 90 2PX -0.02910 -0.27506 0.05328 -0.15734 -0.03905 91 2PY -0.07561 0.32308 -0.02051 -0.15416 0.11756 92 2PZ -0.00346 0.00709 0.00680 -0.04187 -0.23169 93 3S -0.24378 0.70995 0.48740 -0.69511 -0.32408 94 3PX 0.24421 0.14885 -0.06493 0.36832 -0.16932 95 3PY 0.17186 -0.26238 0.13977 -0.15926 -0.46689 96 3PZ -0.08102 0.40218 0.15917 -0.42162 0.38716 97 4XX -0.03495 -0.00576 -0.00379 -0.00510 -0.01613 98 4YY 0.02367 0.04963 -0.01071 -0.01304 -0.01547 99 4ZZ -0.00172 -0.00705 -0.01152 0.01428 0.01652 100 4XY 0.01047 -0.00251 -0.00818 -0.00171 -0.04571 101 4XZ 0.03742 -0.04413 0.00927 0.01990 0.04292 102 4YZ -0.02320 -0.00814 0.01521 0.00707 0.00243 103 13 C 1S 0.00047 -0.01626 -0.01663 0.00309 -0.01160 104 2S -0.01492 -0.00806 -0.08097 -0.10701 0.00542 105 2PX -0.02910 0.27506 0.05327 0.15734 -0.03905 106 2PY 0.07561 0.32308 0.02051 -0.15416 -0.11756 107 2PZ -0.00346 -0.00709 0.00680 0.04187 -0.23169 108 3S -0.24380 -0.70993 0.48741 0.69513 -0.32408 109 3PX 0.24420 -0.14885 -0.06491 -0.36833 -0.16931 110 3PY -0.17188 -0.26239 -0.13974 -0.15926 0.46688 111 3PZ -0.08102 -0.40217 0.15917 0.42162 0.38715 112 4XX -0.03495 0.00576 -0.00379 0.00510 -0.01613 113 4YY 0.02367 -0.04963 -0.01071 0.01304 -0.01547 114 4ZZ -0.00172 0.00705 -0.01152 -0.01428 0.01652 115 4XY -0.01047 -0.00251 0.00818 -0.00171 0.04572 116 4XZ 0.03742 0.04413 0.00927 -0.01990 0.04292 117 4YZ 0.02320 -0.00814 -0.01521 0.00707 -0.00243 118 14 C 1S -0.04380 -0.00504 0.02375 0.01188 0.02794 119 2S 0.20132 0.01689 -0.14649 -0.03952 0.05346 120 2PX -0.12848 0.02244 0.04771 0.17450 -0.18683 121 2PY -0.54463 -0.00788 0.26537 0.27089 0.25973 122 2PZ 0.10507 0.24108 0.17051 0.22706 0.08599 123 3S 0.42364 -0.17130 -0.14460 -0.57226 -0.06879 124 3PX 0.23870 0.64441 -0.25700 -0.74076 0.62893 125 3PY 0.82323 0.45531 -0.40548 -0.54319 -1.11993 126 3PZ -0.16481 -0.70174 -0.20104 -0.34881 -0.32997 127 4XX 0.03157 -0.00771 -0.01649 -0.03152 -0.01969 128 4YY -0.08232 -0.02126 0.03772 0.04568 0.06941 129 4ZZ 0.03689 0.01604 -0.02148 -0.01380 0.00971 130 4XY -0.02117 -0.03081 -0.00728 -0.00316 0.00359 131 4XZ -0.00955 -0.00845 0.00084 0.01194 -0.03461 132 4YZ -0.00368 0.01241 0.00721 -0.00669 0.02697 133 15 C 1S 0.01812 0.04078 0.00023 -0.00142 -0.00072 134 2S 0.21138 0.06596 0.10290 -0.06197 0.20955 135 2PX 0.13407 0.09360 -0.03686 -0.39979 0.16058 136 2PY 0.02559 -0.37047 -0.04461 0.15088 -0.11018 137 2PZ 0.01708 -0.18782 -0.07235 -0.33026 0.10635 138 3S -0.44027 -0.60827 -0.13305 0.20149 0.20315 139 3PX -0.25312 0.11224 0.13988 0.78371 0.10706 140 3PY -0.04482 -0.56613 0.16371 -0.07096 0.20102 141 3PZ 0.08153 0.16164 0.07707 0.78815 -0.38777 142 4XX 0.01572 0.00994 0.00946 0.00225 0.06537 143 4YY 0.03645 0.07610 -0.00166 -0.03623 0.00261 144 4ZZ -0.00371 -0.01769 0.01570 0.01702 -0.02149 145 4XY 0.03211 -0.00142 -0.00558 0.00839 -0.01199 146 4XZ -0.02620 -0.03988 -0.02546 -0.01334 -0.04001 147 4YZ -0.01340 -0.00184 -0.00067 -0.00176 0.02813 148 16 C 1S 0.01812 -0.04078 0.00023 0.00142 -0.00072 149 2S 0.21138 -0.06596 0.10290 0.06197 0.20955 150 2PX 0.13408 -0.09361 -0.03687 0.39979 0.16059 151 2PY -0.02559 -0.37047 0.04462 0.15088 0.11018 152 2PZ 0.01708 0.18782 -0.07237 0.33026 0.10635 153 3S -0.44025 0.60827 -0.13306 -0.20150 0.20315 154 3PX -0.25313 -0.11224 0.13990 -0.78371 0.10705 155 3PY 0.04479 -0.56613 -0.16370 -0.07095 -0.20102 156 3PZ 0.08153 -0.16164 0.07710 -0.78815 -0.38778 157 4XX 0.01572 -0.00994 0.00946 -0.00225 0.06537 158 4YY 0.03645 -0.07610 -0.00166 0.03623 0.00261 159 4ZZ -0.00371 0.01769 0.01570 -0.01702 -0.02149 160 4XY -0.03211 -0.00142 0.00558 0.00839 0.01199 161 4XZ -0.02620 0.03988 -0.02546 0.01334 -0.04001 162 4YZ 0.01340 -0.00184 0.00067 -0.00176 -0.02813 163 17 C 1S -0.04380 0.00504 0.02375 -0.01188 0.02794 164 2S 0.20133 -0.01690 -0.14649 0.03952 0.05346 165 2PX -0.12848 -0.02243 0.04771 -0.17449 -0.18684 166 2PY 0.54464 -0.00789 -0.26538 0.27088 -0.25973 167 2PZ 0.10507 -0.24107 0.17052 -0.22706 0.08599 168 3S 0.42366 0.17128 -0.14463 0.57225 -0.06879 169 3PX 0.23869 -0.64442 -0.25701 0.74075 0.62895 170 3PY -0.82323 0.45533 0.40548 -0.54318 1.11993 171 3PZ -0.16480 0.70173 -0.20106 0.34882 -0.32998 172 4XX 0.03157 0.00770 -0.01649 0.03152 -0.01970 173 4YY -0.08232 0.02127 0.03772 -0.04568 0.06941 174 4ZZ 0.03690 -0.01604 -0.02148 0.01380 0.00971 175 4XY 0.02117 -0.03081 0.00729 -0.00316 -0.00359 176 4XZ -0.00955 0.00845 0.00084 -0.01194 -0.03461 177 4YZ 0.00368 0.01241 -0.00721 -0.00669 -0.02697 178 18 H 1S 0.03169 0.21088 -0.09562 0.00677 -0.14482 179 2S -0.08980 0.06251 0.02938 -0.00037 0.45866 180 19 H 1S 0.03168 -0.21088 -0.09561 -0.00677 -0.14482 181 2S -0.08980 -0.06251 0.02938 0.00036 0.45866 182 20 H 1S 0.25314 0.23694 0.02278 -0.03698 0.06533 183 2S -0.15024 -0.15548 0.07066 -0.06255 0.18983 184 21 H 1S 0.25314 -0.23695 0.02278 0.03698 0.06534 185 2S -0.15023 0.15548 0.07065 0.06255 0.18983 186 22 O 1S 0.02335 0.00912 -0.01157 0.00684 0.00471 187 2S -0.07816 -0.02310 0.05630 -0.03542 0.00096 188 2PX -0.05957 0.14072 -0.00382 -0.07379 -0.02606 189 2PY 0.24098 -0.04038 -0.11347 0.10526 -0.16737 190 2PZ 0.05838 -0.13820 0.06765 -0.03211 0.13151 191 3S 0.20217 -0.30002 -0.15464 0.18793 -0.54976 192 3PX -0.03708 0.06658 0.03177 -0.07902 -0.14174 193 3PY 0.11836 0.16369 -0.06255 0.02263 0.21212 194 3PZ -0.01345 -0.07692 0.00300 -0.02367 -0.06245 195 4XX -0.03141 0.00402 0.02130 -0.00427 0.00815 196 4YY 0.09845 -0.01633 -0.04866 0.05105 -0.06892 197 4ZZ -0.02932 -0.00579 0.02591 -0.03900 0.01573 198 4XY -0.01373 0.02033 -0.00128 0.00421 0.01736 199 4XZ 0.00270 0.00533 0.00057 0.00691 -0.00352 200 4YZ -0.01397 0.00592 0.00051 0.01022 0.00922 201 23 O 1S 0.02335 -0.00913 -0.01157 -0.00684 0.00471 202 2S -0.07816 0.02310 0.05630 0.03542 0.00096 203 2PX -0.05957 -0.14072 -0.00381 0.07379 -0.02606 204 2PY -0.24097 -0.04037 0.11347 0.10526 0.16737 205 2PZ 0.05838 0.13820 0.06764 0.03211 0.13151 206 3S 0.20218 0.30002 -0.15465 -0.18793 -0.54975 207 3PX -0.03708 -0.06658 0.03177 0.07902 -0.14174 208 3PY -0.11836 0.16370 0.06254 0.02263 -0.21211 209 3PZ -0.01345 0.07692 0.00300 0.02367 -0.06245 210 4XX -0.03141 -0.00402 0.02130 0.00427 0.00815 211 4YY 0.09844 0.01632 -0.04866 -0.05105 -0.06892 212 4ZZ -0.02932 0.00579 0.02591 0.03900 0.01573 213 4XY 0.01373 0.02033 0.00128 0.00420 -0.01736 214 4XZ 0.00270 -0.00533 0.00057 -0.00691 -0.00352 215 4YZ 0.01397 0.00592 -0.00051 0.01021 -0.00922 96 97 98 99 100 V V V V V Eigenvalues -- 0.73958 0.73981 0.78866 0.79702 0.80345 1 1 C 1S 0.01298 0.00566 -0.01619 -0.00442 -0.02484 2 2S -0.03497 0.11036 0.13797 -0.02799 -0.25544 3 2PX 0.33202 0.16950 0.16025 0.23963 0.01740 4 2PY -0.15908 0.28579 0.01300 0.02602 -0.16389 5 2PZ 0.11123 0.18679 -0.09577 -0.01067 -0.27227 6 3S -0.25587 -0.43833 -0.38191 -0.13475 0.51722 7 3PX -0.57256 -0.23084 -0.51777 -0.47824 -0.44478 8 3PY 0.18211 -0.55545 0.03699 0.14096 0.65696 9 3PZ -0.04235 -0.75984 0.25685 0.15813 1.10017 10 4XX -0.03679 -0.01940 -0.00425 0.00944 0.00050 11 4YY 0.06277 0.04365 0.02830 -0.01764 -0.04599 12 4ZZ -0.00618 -0.02623 -0.02729 -0.01327 -0.00552 13 4XY -0.01692 0.02515 -0.01876 -0.03070 -0.04710 14 4XZ 0.04181 0.00366 0.01588 -0.00041 0.03148 15 4YZ -0.00802 -0.03556 0.00082 -0.03131 0.04068 16 2 C 1S 0.00251 0.01348 -0.00064 0.01954 -0.01825 17 2S -0.35288 0.07793 0.07773 -0.07958 0.00281 18 2PX 0.11234 -0.05928 0.24833 -0.12442 0.29010 19 2PY -0.00041 0.18982 0.40862 0.17675 0.03464 20 2PZ -0.22307 -0.03671 -0.03604 -0.03208 -0.10651 21 3S 0.59727 -0.68218 -0.74400 0.58020 0.27065 22 3PX -0.30032 0.48086 -0.46907 0.28161 -1.15836 23 3PY 0.03293 -0.69067 -1.45771 -0.49568 -0.16812 24 3PZ 0.56775 0.02162 0.04568 -0.04567 0.38900 25 4XX 0.02299 0.02208 0.02696 0.01703 -0.00640 26 4YY -0.04736 -0.03258 -0.06148 0.00451 -0.00472 27 4ZZ -0.01239 0.01615 0.03037 -0.01308 0.01430 28 4XY -0.01972 -0.01567 0.00690 -0.00856 0.02287 29 4XZ 0.00977 -0.02943 -0.02385 -0.02073 0.00892 30 4YZ -0.00199 0.01435 -0.00843 -0.01335 -0.01912 31 3 C 1S 0.00254 -0.01347 0.00064 0.01954 0.01825 32 2S -0.35270 -0.07873 -0.07773 -0.07958 -0.00280 33 2PX 0.11221 0.05954 -0.24833 -0.12443 -0.29009 34 2PY -0.00002 0.18982 0.40862 -0.17674 0.03465 35 2PZ -0.22316 0.03620 0.03604 -0.03207 0.10651 36 3S 0.59572 0.68353 0.74400 0.58023 -0.27068 37 3PX -0.29923 -0.48154 0.46906 0.28165 1.15835 38 3PY -0.03137 -0.69074 -1.45772 0.49562 -0.16814 39 3PZ 0.56780 -0.02033 -0.04566 -0.04568 -0.38900 40 4XX 0.02304 -0.02203 -0.02696 0.01703 0.00640 41 4YY -0.04744 0.03247 0.06148 0.00451 0.00472 42 4ZZ -0.01235 -0.01618 -0.03037 -0.01308 -0.01430 43 4XY 0.01976 -0.01563 0.00690 0.00856 0.02287 44 4XZ 0.00970 0.02945 0.02385 -0.02073 -0.00892 45 4YZ 0.00195 0.01435 -0.00844 0.01334 -0.01912 46 4 C 1S 0.01300 -0.00563 0.01619 -0.00442 0.02484 47 2S -0.03471 -0.11044 -0.13796 -0.02799 0.25544 48 2PX 0.33240 -0.16875 -0.16026 0.23962 -0.01741 49 2PY 0.15844 0.28615 0.01300 -0.02604 -0.16388 50 2PZ 0.11166 -0.18654 0.09577 -0.01066 0.27227 51 3S -0.25687 0.43774 0.38189 -0.13476 -0.51720 52 3PX -0.57308 0.22955 0.51777 -0.47821 0.44480 53 3PY -0.18085 -0.55585 0.03700 -0.14089 0.65695 54 3PZ -0.04408 0.75974 -0.25685 0.15810 -1.10017 55 4XX -0.03683 0.01931 0.00425 0.00944 -0.00050 56 4YY 0.06287 -0.04351 -0.02830 -0.01764 0.04599 57 4ZZ -0.00624 0.02621 0.02729 -0.01327 0.00552 58 4XY 0.01686 0.02519 -0.01876 0.03069 -0.04710 59 4XZ 0.04182 -0.00356 -0.01589 -0.00041 -0.03148 60 4YZ 0.00809 -0.03554 0.00082 0.03132 0.04068 61 5 H 1S 0.08365 0.16293 -0.03387 -0.01345 -0.14052 62 2S -0.08198 -0.29841 -0.06600 0.10141 0.27283 63 6 H 1S 0.13509 0.06146 -0.06398 0.06430 -0.12944 64 2S 0.13490 -0.41257 -0.21412 -0.44104 0.58093 65 7 H 1S 0.13523 -0.06116 0.06397 0.06430 0.12944 66 2S 0.13397 0.41288 0.21413 -0.44105 -0.58091 67 8 H 1S 0.08402 -0.16274 0.03387 -0.01344 0.14052 68 2S -0.08264 0.29822 0.06600 0.10137 -0.27283 69 9 C 1S -0.00592 -0.00001 0.00000 0.00744 0.00000 70 2S -0.00297 0.00000 0.00000 -0.14779 0.00001 71 2PX -0.13908 -0.00016 0.00000 -0.26857 0.00001 72 2PY -0.00045 0.39491 0.03806 -0.00001 -0.34782 73 2PZ -0.24838 -0.00028 0.00000 -0.02091 0.00000 74 3S 0.13173 0.00015 0.00001 -0.24118 0.00000 75 3PX 0.05425 0.00006 -0.00001 0.79208 -0.00002 76 3PY 0.00139 -1.22527 0.11374 0.00003 1.64788 77 3PZ 1.15873 0.00131 0.00000 -0.04769 -0.00001 78 4XX -0.00249 0.00000 0.00000 -0.02779 0.00000 79 4YY -0.04586 -0.00005 0.00000 -0.02021 0.00000 80 4ZZ 0.05352 0.00006 0.00000 0.03132 0.00000 81 4XY 0.00001 -0.00787 0.02451 0.00000 0.01946 82 4XZ -0.01237 -0.00001 0.00000 0.10754 0.00000 83 4YZ -0.00005 0.04276 0.00919 0.00000 -0.03959 84 10 H 1S -0.17450 -0.00020 0.00000 -0.23982 0.00000 85 2S -0.41053 -0.00046 -0.00001 0.87753 -0.00002 86 11 H 1S -0.07482 -0.00008 0.00000 0.41188 -0.00001 87 2S -0.53433 -0.00060 0.00001 -0.69097 0.00002 88 12 C 1S 0.00753 -0.01461 -0.00381 0.00376 0.00935 89 2S -0.04691 0.04388 0.11320 0.08933 0.15173 90 2PX -0.31698 -0.12118 -0.17062 -0.12563 -0.21018 91 2PY 0.04086 -0.07143 -0.54579 -0.02999 0.00940 92 2PZ -0.25292 -0.15089 -0.01238 -0.13132 0.03251 93 3S -0.36401 0.91467 -1.94421 -0.67959 0.40711 94 3PX 0.36128 0.00091 0.68876 0.34797 0.52816 95 3PY -0.26737 -0.38873 2.22832 -0.09652 -0.59757 96 3PZ 0.29039 0.61615 -0.22362 0.08232 0.09422 97 4XX 0.02654 0.02453 0.03144 -0.01553 0.01465 98 4YY -0.01186 -0.00837 -0.08143 0.02346 0.00933 99 4ZZ -0.02495 -0.00727 0.01315 -0.00340 0.00709 100 4XY 0.05036 -0.00070 0.00204 -0.01880 0.00853 101 4XZ -0.00838 -0.01540 -0.00626 0.02960 -0.05381 102 4YZ -0.02088 -0.00435 -0.00051 0.03560 -0.00631 103 13 C 1S 0.00750 0.01462 0.00381 0.00376 -0.00935 104 2S -0.04681 -0.04398 -0.11320 0.08932 -0.15174 105 2PX -0.31726 0.12046 0.17062 -0.12562 0.21018 106 2PY -0.04070 -0.07152 -0.54579 0.02997 0.00940 107 2PZ -0.25326 0.15032 0.01238 -0.13132 -0.03250 108 3S -0.36194 -0.91548 1.94422 -0.67957 -0.40708 109 3PX 0.36129 -0.00010 -0.68875 0.34795 -0.52817 110 3PY 0.26825 -0.38813 2.22833 0.09655 -0.59758 111 3PZ 0.29179 -0.61550 0.22361 0.08231 -0.09423 112 4XX 0.02659 -0.02447 -0.03144 -0.01553 -0.01465 113 4YY -0.01188 0.00834 0.08143 0.02346 -0.00933 114 4ZZ -0.02497 0.00722 -0.01315 -0.00340 -0.00709 115 4XY -0.05036 -0.00082 0.00204 0.01880 0.00853 116 4XZ -0.00842 0.01538 0.00626 0.02960 0.05381 117 4YZ 0.02089 -0.00430 -0.00051 -0.03560 -0.00631 118 14 C 1S 0.00392 -0.02542 0.02216 -0.01368 -0.02311 119 2S -0.21254 -0.16485 -0.09364 -0.02737 -0.19391 120 2PX -0.06328 0.14597 -0.02427 0.03425 -0.09548 121 2PY -0.14618 -0.17981 0.14783 0.12497 -0.00482 122 2PZ 0.03574 0.13080 -0.00189 0.22383 -0.01087 123 3S 0.89602 0.13116 0.56918 -0.43309 -0.60656 124 3PX -0.00700 -0.00309 0.07103 0.37640 0.26720 125 3PY -0.21509 1.40105 -1.23371 0.70990 0.99148 126 3PZ -0.23650 -0.12625 0.02253 -0.67386 0.17309 127 4XX -0.01686 0.00115 0.00533 0.03487 -0.01687 128 4YY 0.03945 -0.10585 0.02698 -0.10279 -0.11901 129 4ZZ -0.01752 0.00970 -0.00512 0.01165 0.02776 130 4XY 0.00922 -0.00554 -0.00927 -0.00549 -0.03031 131 4XZ 0.01082 0.02722 -0.01921 0.00065 0.03324 132 4YZ -0.00999 -0.01106 0.02536 -0.01907 0.00195 133 15 C 1S -0.00338 -0.00809 0.01632 0.00968 -0.00236 134 2S -0.02622 -0.16273 0.04353 -0.21297 -0.09990 135 2PX -0.11061 0.01806 0.10202 0.19166 0.07226 136 2PY -0.11218 0.22002 -0.26947 0.24701 0.31374 137 2PZ -0.03750 0.03574 -0.01105 -0.07113 -0.00820 138 3S -0.20990 -1.03463 1.06208 1.02275 -1.03953 139 3PX 0.20754 -0.41170 -0.00250 -0.33148 -0.57063 140 3PY 0.34470 -1.22530 1.21680 -0.85595 -1.51086 141 3PZ 0.03303 0.28125 -0.15778 0.21217 0.19615 142 4XX -0.00006 -0.01950 0.00853 -0.02256 0.00754 143 4YY -0.01956 -0.05569 0.05396 0.00890 -0.06498 144 4ZZ 0.01558 -0.00603 -0.01455 -0.01405 0.00526 145 4XY 0.02036 -0.00397 0.00798 0.01217 -0.00562 146 4XZ -0.00758 0.04198 -0.02628 0.00522 0.01275 147 4YZ -0.01705 0.00168 -0.00648 0.01825 0.00110 148 16 C 1S -0.00340 0.00808 -0.01632 0.00968 0.00236 149 2S -0.02659 0.16267 -0.04352 -0.21296 0.09990 150 2PX -0.11056 -0.01831 -0.10203 0.19165 -0.07226 151 2PY 0.11169 0.22027 -0.26946 -0.24700 0.31374 152 2PZ -0.03742 -0.03583 0.01105 -0.07112 0.00820 153 3S -0.21222 1.03415 -1.06211 1.02278 1.03951 154 3PX 0.20660 0.41216 0.00252 -0.33143 0.57063 155 3PY -0.34196 -1.22608 1.21677 0.85591 -1.51089 156 3PZ 0.03365 -0.28118 0.15777 0.21214 -0.19616 157 4XX -0.00010 0.01950 -0.00853 -0.02256 -0.00754 158 4YY -0.01969 0.05564 -0.05396 0.00890 0.06498 159 4ZZ 0.01557 0.00606 0.01455 -0.01405 -0.00526 160 4XY -0.02035 -0.00402 0.00798 -0.01217 -0.00562 161 4XZ -0.00749 -0.04199 0.02627 0.00522 -0.01275 162 4YZ 0.01704 0.00171 -0.00648 -0.01825 0.00110 163 17 C 1S 0.00387 0.02543 -0.02216 -0.01368 0.02311 164 2S -0.21291 0.16437 0.09364 -0.02735 0.19391 165 2PX -0.06296 -0.14611 0.02427 0.03425 0.09548 166 2PY 0.14659 -0.17949 0.14783 -0.12497 -0.00482 167 2PZ 0.03604 -0.13072 0.00189 0.22383 0.01086 168 3S 0.89632 -0.12915 -0.56915 -0.43312 0.60656 169 3PX -0.00701 0.00309 -0.07105 0.37639 -0.26720 170 3PY 0.21193 1.40154 -1.23368 -0.70989 0.99150 171 3PZ -0.23677 0.12572 -0.02252 -0.67387 -0.17307 172 4XX -0.01686 -0.00119 -0.00533 0.03487 0.01687 173 4YY 0.03921 0.10594 -0.02697 -0.10279 0.11901 174 4ZZ -0.01750 -0.00974 0.00512 0.01165 -0.02776 175 4XY -0.00920 -0.00556 -0.00927 0.00548 -0.03030 176 4XZ 0.01088 -0.02720 0.01921 0.00065 -0.03324 177 4YZ 0.01002 -0.01104 0.02535 0.01907 0.00195 178 18 H 1S 0.07088 -0.02491 0.02874 -0.12745 0.15052 179 2S 0.06781 0.23243 -0.60242 0.24192 -0.09949 180 19 H 1S 0.07082 0.02506 -0.02873 -0.12746 -0.15051 181 2S 0.06834 -0.23227 0.60241 0.24193 0.09947 182 20 H 1S 0.08505 -0.08534 0.12302 0.05184 0.00660 183 2S 0.12019 -0.38868 0.17228 -0.62236 -0.62159 184 21 H 1S 0.08486 0.08553 -0.12302 0.05183 -0.00661 185 2S 0.11932 0.38895 -0.17226 -0.62232 0.62161 186 22 O 1S 0.01267 0.01350 -0.00351 -0.01908 0.01511 187 2S -0.09931 -0.12199 -0.11956 0.17698 -0.10437 188 2PX -0.05559 -0.10580 -0.06188 0.01630 0.04043 189 2PY -0.08881 -0.20155 0.13474 0.23322 -0.22618 190 2PZ 0.00792 -0.02246 -0.00756 0.07724 0.07134 191 3S -0.26268 -0.57372 0.86044 0.36508 -0.58431 192 3PX 0.03201 0.00415 0.08852 0.00841 -0.05368 193 3PY 0.31684 0.40764 -0.23377 -0.60509 0.58262 194 3PZ 0.01260 -0.00349 0.03723 0.05362 -0.06605 195 4XX -0.02076 -0.02472 -0.02215 0.05855 -0.02977 196 4YY -0.04882 -0.10352 0.01046 0.08968 -0.08636 197 4ZZ -0.02325 -0.02585 -0.05001 0.03985 -0.03314 198 4XY 0.00433 0.01032 -0.01075 0.00610 -0.00026 199 4XZ 0.01751 0.00714 -0.02764 -0.00662 0.01513 200 4YZ -0.00170 0.02032 -0.00952 -0.02472 0.00601 201 23 O 1S 0.01270 -0.01348 0.00351 -0.01908 -0.01511 202 2S -0.09958 0.12177 0.11955 0.17699 0.10437 203 2PX -0.05583 0.10568 0.06188 0.01630 -0.04043 204 2PY 0.08926 -0.20135 0.13474 -0.23322 -0.22618 205 2PZ 0.00787 0.02248 0.00756 0.07724 -0.07134 206 3S -0.26398 0.57312 -0.86046 0.36508 0.58431 207 3PX 0.03201 -0.00407 -0.08852 0.00841 0.05368 208 3PY -0.31776 0.40693 -0.23379 0.60509 0.58261 209 3PZ 0.01260 0.00352 -0.03723 0.05362 0.06605 210 4XX -0.02081 0.02468 0.02215 0.05855 0.02977 211 4YY -0.04905 0.10340 -0.01046 0.08968 0.08636 212 4ZZ -0.02331 0.02580 0.05001 0.03985 0.03314 213 4XY -0.00435 0.01031 -0.01075 -0.00610 -0.00026 214 4XZ 0.01753 -0.00710 0.02764 -0.00662 -0.01513 215 4YZ 0.00165 0.02032 -0.00952 0.02472 0.00601 101 102 103 104 105 V V V V V Eigenvalues -- 0.81980 0.82480 0.82489 0.82716 0.83429 1 1 C 1S 0.00737 -0.01328 0.03249 -0.01933 0.00179 2 2S 0.28726 0.24931 -0.28374 0.05998 0.10979 3 2PX 0.20201 -0.05757 0.18613 0.05174 0.15882 4 2PY 0.40266 -0.01255 0.31077 -0.41256 0.17729 5 2PZ -0.06500 -0.07849 -0.32564 0.07226 0.01860 6 3S -1.32933 -0.48328 0.57607 0.74949 -1.42873 7 3PX -0.75114 -0.28965 -0.84301 0.08215 -0.72168 8 3PY -1.35724 -0.03422 -0.88727 1.77095 -1.10984 9 3PZ 0.29343 -0.02076 1.57489 -0.11629 0.24100 10 4XX -0.00798 0.03867 -0.04641 0.02141 -0.02429 11 4YY 0.00251 -0.04778 0.04499 -0.03574 -0.00767 12 4ZZ 0.00328 0.02186 -0.02280 0.03698 0.01726 13 4XY -0.00508 -0.00627 0.01140 0.02443 -0.03881 14 4XZ -0.00861 -0.02798 0.02332 -0.01310 0.02662 15 4YZ 0.00246 0.00721 -0.00330 -0.00090 0.03720 16 2 C 1S -0.01316 0.01996 0.02007 0.01084 -0.00340 17 2S 0.23901 0.07110 -0.24369 -0.11529 -0.12117 18 2PX 0.19222 -0.17218 -0.07172 -0.20662 0.28364 19 2PY -0.11842 0.15779 0.24548 0.24237 -0.38981 20 2PZ -0.28010 0.10589 0.12116 0.25422 -0.39473 21 3S 0.24989 0.35230 0.86509 -1.23154 2.10597 22 3PX -0.82762 0.35154 -0.24941 1.21926 -1.46429 23 3PY 0.35112 -0.44779 -1.13379 -1.47668 1.69962 24 3PZ 0.88352 -0.29250 -0.15142 -1.10275 1.74509 25 4XX 0.04250 -0.00997 0.02499 -0.00915 0.01223 26 4YY 0.00773 0.02434 -0.04711 -0.04586 0.06365 27 4ZZ 0.00067 0.00419 -0.00073 -0.00600 -0.01892 28 4XY 0.08644 0.01640 -0.01625 0.00748 0.01549 29 4XZ -0.01452 -0.02877 -0.03364 0.01641 -0.00146 30 4YZ -0.07456 0.01183 0.01092 -0.00489 -0.01331 31 3 C 1S -0.01316 0.01995 -0.02008 -0.01084 0.00340 32 2S 0.23899 0.07118 0.24368 0.11530 0.12117 33 2PX 0.19221 -0.17218 0.07180 0.20660 -0.28364 34 2PY 0.11840 -0.15772 0.24555 0.24235 -0.38980 35 2PZ -0.28009 0.10588 -0.12122 -0.25421 0.39474 36 3S 0.24992 0.35178 -0.86523 1.23157 -2.10598 37 3PX -0.82760 0.35182 0.24922 -1.21923 1.46429 38 3PY -0.35105 0.44753 -1.13400 -1.47663 1.69961 39 3PZ 0.88350 -0.29259 0.15159 1.10273 -1.74510 40 4XX 0.04250 -0.00998 -0.02499 0.00915 -0.01223 41 4YY 0.00773 0.02435 0.04710 0.04587 -0.06365 42 4ZZ 0.00067 0.00419 0.00073 0.00600 0.01892 43 4XY -0.08644 -0.01641 -0.01625 0.00748 0.01549 44 4XZ -0.01452 -0.02875 0.03366 -0.01641 0.00146 45 4YZ 0.07456 -0.01182 0.01093 -0.00489 -0.01331 46 4 C 1S 0.00737 -0.01329 -0.03248 0.01933 -0.00179 47 2S 0.28724 0.24944 0.28365 -0.05995 -0.10980 48 2PX 0.20202 -0.05764 -0.18610 -0.05175 -0.15882 49 2PY -0.40268 0.01273 0.31074 -0.41256 0.17729 50 2PZ -0.06501 -0.07835 0.32567 -0.07227 -0.01861 51 3S -1.32929 -0.48342 -0.57593 -0.74954 1.42874 52 3PX -0.75118 -0.28930 0.84309 -0.08218 0.72168 53 3PY 1.35729 0.03364 -0.88722 1.77097 -1.10985 54 3PZ 0.29350 -0.02143 -1.57486 0.11628 -0.24100 55 4XX -0.00798 0.03870 0.04639 -0.02141 0.02429 56 4YY 0.00252 -0.04780 -0.04497 0.03573 0.00767 57 4ZZ 0.00328 0.02188 0.02279 -0.03698 -0.01726 58 4XY 0.00508 0.00627 0.01140 0.02443 -0.03881 59 4XZ -0.00860 -0.02800 -0.02331 0.01310 -0.02662 60 4YZ -0.00246 -0.00721 -0.00330 -0.00091 0.03720 61 5 H 1S 0.13876 -0.18736 0.20742 -0.22373 0.01742 62 2S -0.67680 0.25954 -1.20427 1.12582 -0.39616 63 6 H 1S -0.30476 0.06436 0.19062 0.13173 -0.21483 64 2S 1.05885 -0.50725 -0.70948 -1.16107 1.49482 65 7 H 1S -0.30475 0.06430 -0.19067 -0.13172 0.21483 66 2S 1.05879 -0.50712 0.70975 1.16102 -1.49482 67 8 H 1S 0.13877 -0.18747 -0.20734 0.22371 -0.01742 68 2S -0.67687 0.26018 1.20413 -1.12579 0.39615 69 9 C 1S 0.03352 0.00402 0.00000 0.00000 0.00000 70 2S -0.16670 -0.11287 0.00002 0.00000 0.00000 71 2PX 0.23528 -0.54530 0.00012 -0.00003 0.00000 72 2PY 0.00001 -0.00008 -0.37468 0.00083 -0.04963 73 2PZ 0.09294 -0.19251 0.00004 -0.00001 0.00000 74 3S 0.99050 0.22100 -0.00002 0.00002 0.00000 75 3PX -0.04906 1.78033 -0.00036 0.00011 0.00000 76 3PY -0.00004 0.00030 1.54087 0.44274 -0.04237 77 3PZ -0.77616 -0.06673 -0.00001 0.00000 0.00000 78 4XX 0.01255 -0.01084 0.00000 0.00000 0.00000 79 4YY 0.00659 0.02892 -0.00001 0.00000 0.00000 80 4ZZ 0.00950 -0.03112 0.00001 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00283 0.01649 -0.03344 82 4XZ -0.03269 0.06582 -0.00001 0.00000 0.00000 83 4YZ 0.00000 0.00000 -0.02108 -0.05058 0.03344 84 10 H 1S 0.17192 0.00387 0.00000 0.00000 0.00000 85 2S -0.15031 1.20367 -0.00024 0.00007 0.00000 86 11 H 1S 0.09035 0.30013 -0.00006 0.00001 0.00000 87 2S 0.31549 -0.90779 0.00019 -0.00005 0.00000 88 12 C 1S 0.00346 -0.01084 0.00028 -0.02318 -0.01864 89 2S 0.29088 0.32252 0.02547 0.02289 0.04158 90 2PX -0.08334 -0.01391 0.26831 0.17961 0.26135 91 2PY 0.13586 0.19059 0.18582 0.01784 -0.07887 92 2PZ -0.02523 0.05701 -0.01451 -0.17681 -0.13833 93 3S -0.79897 -0.70145 0.37583 1.44376 0.25051 94 3PX 0.23149 0.09835 -1.23658 -1.14330 -1.11385 95 3PY -0.51203 -0.53822 -0.25294 -0.66741 0.34607 96 3PZ 0.11842 0.06993 0.33036 1.11797 0.55698 97 4XX -0.01533 0.00760 0.00603 0.01016 0.00892 98 4YY 0.00747 -0.00148 0.02956 0.01785 -0.00767 99 4ZZ 0.04661 0.01119 -0.00592 0.00171 0.00269 100 4XY -0.00304 0.01951 -0.01389 -0.01338 -0.01594 101 4XZ -0.02424 -0.03755 -0.00014 -0.00782 0.00576 102 4YZ 0.01338 0.02418 0.00426 0.00712 0.00225 103 13 C 1S 0.00346 -0.01084 -0.00028 0.02318 0.01864 104 2S 0.29088 0.32251 -0.02559 -0.02284 -0.04159 105 2PX -0.08332 -0.01400 -0.26831 -0.17961 -0.26135 106 2PY -0.13587 -0.19051 0.18590 0.01781 -0.07887 107 2PZ -0.02523 0.05700 0.01448 0.17682 0.13833 108 3S -0.79896 -0.70143 -0.37560 -1.44385 -0.25050 109 3PX 0.23142 0.09871 1.23655 1.14329 1.11385 110 3PY 0.51201 0.53817 -0.25315 -0.66734 0.34606 111 3PZ 0.11843 0.06993 -0.33038 -1.11796 -0.55697 112 4XX -0.01533 0.00760 -0.00604 -0.01016 -0.00892 113 4YY 0.00747 -0.00149 -0.02956 -0.01785 0.00767 114 4ZZ 0.04661 0.01119 0.00592 -0.00170 -0.00269 115 4XY 0.00304 -0.01952 -0.01388 -0.01338 -0.01594 116 4XZ -0.02424 -0.03756 0.00015 0.00781 -0.00576 117 4YZ -0.01338 -0.02418 0.00427 0.00711 0.00225 118 14 C 1S 0.01094 0.01478 0.00094 -0.00636 0.00228 119 2S -0.04950 0.15496 -0.33045 -0.30881 -0.32276 120 2PX 0.12518 0.00415 -0.01559 0.06606 0.13007 121 2PY -0.00582 -0.11925 0.04808 -0.08509 -0.07329 122 2PZ 0.13160 0.06130 0.06415 0.07476 0.09144 123 3S 0.84100 0.65651 1.20746 2.35532 2.40489 124 3PX -0.18897 -0.03949 0.10311 -0.03228 -0.39051 125 3PY -0.17378 -0.28292 0.09520 1.27913 0.53045 126 3PZ -0.35945 -0.17036 -0.39941 -0.04846 -0.16931 127 4XX 0.03987 0.01117 0.00646 -0.02496 0.00262 128 4YY 0.02267 0.10858 -0.00294 0.05783 0.04260 129 4ZZ -0.03184 -0.03940 -0.02211 -0.02339 -0.03206 130 4XY 0.00704 0.02682 0.00460 0.00348 0.00294 131 4XZ -0.01363 -0.00898 0.01124 -0.00388 -0.00511 132 4YZ 0.00110 -0.00318 -0.01874 0.00679 -0.00541 133 15 C 1S 0.00218 0.01037 0.00089 0.01975 0.01624 134 2S 0.24986 0.00871 -0.01238 -0.12447 -0.12940 135 2PX 0.04889 0.07566 -0.05269 0.30868 0.23256 136 2PY -0.05093 0.00523 -0.12561 0.20999 -0.03514 137 2PZ -0.04747 -0.01297 -0.06360 -0.24489 -0.23992 138 3S -0.49356 -0.07994 0.19093 -1.42225 -0.30015 139 3PX -0.00334 -0.07135 0.19527 -1.64138 -1.11634 140 3PY 0.21584 0.14584 0.40831 -1.14374 0.17820 141 3PZ 0.12829 0.01413 0.21513 1.31682 1.18798 142 4XX -0.01112 0.00831 -0.02479 -0.00434 -0.02835 143 4YY 0.02100 -0.01173 0.02209 -0.05567 -0.00438 144 4ZZ 0.01680 0.00743 0.00587 -0.00246 -0.00472 145 4XY 0.01905 0.04891 0.00246 0.01534 0.01506 146 4XZ -0.01351 -0.03053 0.00610 -0.00162 0.00344 147 4YZ 0.01510 -0.01999 0.00072 -0.01684 -0.01245 148 16 C 1S 0.00218 0.01037 -0.00090 -0.01975 -0.01624 149 2S 0.24986 0.00871 0.01238 0.12447 0.12940 150 2PX 0.04889 0.07572 0.05266 -0.30867 -0.23256 151 2PY 0.05094 -0.00531 -0.12561 0.21000 -0.03514 152 2PZ -0.04747 -0.01297 0.06360 0.24489 0.23992 153 3S -0.49354 -0.08020 -0.19090 1.42223 0.30015 154 3PX -0.00333 -0.07164 -0.19524 1.64136 1.11634 155 3PY -0.21587 -0.14554 0.40838 -1.14379 0.17819 156 3PZ 0.12830 0.01421 -0.21512 -1.31683 -1.18798 157 4XX -0.01112 0.00832 0.02479 0.00434 0.02835 158 4YY 0.02100 -0.01175 -0.02209 0.05567 0.00438 159 4ZZ 0.01680 0.00742 -0.00587 0.00246 0.00472 160 4XY -0.01905 -0.04892 0.00248 0.01534 0.01506 161 4XZ -0.01351 -0.03053 -0.00609 0.00162 -0.00344 162 4YZ -0.01510 0.01999 0.00071 -0.01684 -0.01245 163 17 C 1S 0.01094 0.01478 -0.00095 0.00636 -0.00228 164 2S -0.04952 0.15505 0.33039 0.30884 0.32276 165 2PX 0.12518 0.00417 0.01559 -0.06607 -0.13007 166 2PY 0.00582 0.11928 0.04803 -0.08508 -0.07328 167 2PZ 0.13160 0.06129 -0.06417 -0.07476 -0.09144 168 3S 0.84109 0.65634 -1.20770 -2.35523 -2.40489 169 3PX -0.18896 -0.03954 -0.10310 0.03228 0.39052 170 3PY 0.17378 0.28279 0.09508 1.27918 0.53045 171 3PZ -0.35948 -0.17021 0.39945 0.04844 0.16932 172 4XX 0.03987 0.01116 -0.00647 0.02496 -0.00263 173 4YY 0.02267 0.10859 0.00290 -0.05781 -0.04259 174 4ZZ -0.03184 -0.03940 0.02213 0.02338 0.03206 175 4XY -0.00704 -0.02682 0.00461 0.00348 0.00294 176 4XZ -0.01363 -0.00898 -0.01124 0.00388 0.00511 177 4YZ -0.00110 0.00317 -0.01874 0.00679 -0.00541 178 18 H 1S 0.05648 0.02372 -0.05305 -0.06721 -0.13269 179 2S 0.24087 0.25310 0.53737 0.77280 0.41525 180 19 H 1S 0.05648 0.02373 0.05304 0.06722 0.13269 181 2S 0.24089 0.25297 -0.53745 -0.77277 -0.41525 182 20 H 1S 0.04242 0.25416 -0.01010 0.20604 0.15318 183 2S 0.10038 -0.21829 0.16675 -1.33302 -0.78300 184 21 H 1S 0.04242 0.25419 0.01000 -0.20600 -0.15318 185 2S 0.10039 -0.21852 -0.16667 1.33300 0.78300 186 22 O 1S 0.00371 0.01224 -0.00032 0.00072 -0.00354 187 2S 0.04415 -0.15252 -0.04711 0.06662 -0.03202 188 2PX 0.12949 0.01438 -0.00674 0.01977 -0.03009 189 2PY -0.05070 -0.24090 -0.01959 0.08351 0.06381 190 2PZ 0.10346 -0.00874 -0.07896 0.02646 -0.02500 191 3S -0.35633 -0.17800 0.24794 -0.25481 0.28353 192 3PX -0.08864 -0.00477 0.03451 -0.04554 -0.04284 193 3PY 0.17114 0.58231 0.01517 -0.18611 -0.23500 194 3PZ -0.05698 -0.01414 -0.00548 -0.03007 0.00667 195 4XX 0.01604 -0.05372 -0.02978 0.01542 -0.01479 196 4YY -0.01015 -0.08101 0.01097 0.05539 0.02362 197 4ZZ 0.01141 -0.05283 -0.02725 0.01016 -0.01649 198 4XY 0.00005 0.01584 0.00312 -0.00572 0.00090 199 4XZ 0.01964 0.02265 -0.01043 -0.00747 -0.02659 200 4YZ -0.00770 -0.00804 -0.00068 0.00339 0.00528 201 23 O 1S 0.00371 0.01224 0.00031 -0.00072 0.00354 202 2S 0.04415 -0.15249 0.04718 -0.06665 0.03202 203 2PX 0.12949 0.01439 0.00674 -0.01976 0.03009 204 2PY 0.05070 0.24087 -0.01969 0.08354 0.06381 205 2PZ 0.10345 -0.00871 0.07897 -0.02646 0.02500 206 3S -0.35631 -0.17812 -0.24788 0.25478 -0.28353 207 3PX -0.08864 -0.00480 -0.03451 0.04554 0.04284 208 3PY -0.17114 -0.58227 0.01540 -0.18620 -0.23501 209 3PZ -0.05698 -0.01414 0.00548 0.03006 -0.00667 210 4XX 0.01604 -0.05371 0.02980 -0.01543 0.01479 211 4YY -0.01015 -0.08100 -0.01093 -0.05540 -0.02362 212 4ZZ 0.01141 -0.05282 0.02727 -0.01017 0.01649 213 4XY -0.00005 -0.01584 0.00313 -0.00572 0.00090 214 4XZ 0.01964 0.02265 0.01042 0.00747 0.02659 215 4YZ 0.00770 0.00804 -0.00068 0.00339 0.00528 106 107 108 109 110 V V V V V Eigenvalues -- 0.84800 0.86110 0.88186 0.88398 0.89340 1 1 C 1S -0.02269 0.00406 0.00091 0.01104 0.00508 2 2S 0.15978 -0.08802 0.01502 0.18126 -0.21812 3 2PX 0.07475 -0.14274 0.15212 0.09475 -0.01343 4 2PY -0.28686 0.07917 -0.13190 0.07541 0.31112 5 2PZ 0.04020 -0.02588 0.11030 0.03355 -0.11381 6 3S -0.54432 0.53597 0.31865 -0.30078 0.71723 7 3PX -0.43435 0.41743 0.09612 -0.06357 0.10025 8 3PY 1.01301 -0.12778 0.34955 -0.23778 -0.59858 9 3PZ 0.17801 -0.13553 -0.31190 -0.03222 -0.00014 10 4XX -0.00472 -0.01560 0.03286 -0.01627 -0.03218 11 4YY -0.03166 0.03452 -0.03887 0.00775 0.02522 12 4ZZ 0.03818 -0.01444 0.01575 0.04228 -0.02050 13 4XY -0.00800 -0.00184 -0.01167 0.03687 0.01796 14 4XZ 0.00989 -0.00449 -0.01107 -0.03285 -0.01619 15 4YZ 0.02180 0.00517 0.01037 0.03083 -0.01046 16 2 C 1S -0.00446 -0.00806 0.00697 0.01806 0.01127 17 2S -0.01525 0.18751 -0.32462 -0.07908 -0.00611 18 2PX 0.11891 0.11981 -0.20979 -0.21977 -0.13599 19 2PY 0.07256 -0.14419 -0.15550 0.20140 0.09130 20 2PZ -0.05210 -0.11304 0.03098 0.21784 0.04230 21 3S -0.20285 -0.85117 0.89138 0.51980 -0.00916 22 3PX -0.41885 -0.19203 1.02755 0.40893 0.24266 23 3PY -0.58929 0.48030 0.56967 -0.35098 0.01255 24 3PZ 0.33732 0.15910 -0.42896 -0.27607 -0.13831 25 4XX 0.00828 -0.00462 -0.02711 0.03208 0.00704 26 4YY -0.01155 0.00620 0.01293 0.01281 0.00271 27 4ZZ -0.00117 0.01634 -0.02762 -0.05484 -0.00530 28 4XY 0.01642 -0.00108 0.01168 -0.03461 -0.02925 29 4XZ 0.00842 0.00959 0.01661 -0.03623 -0.03833 30 4YZ -0.01158 0.00643 -0.01501 0.02655 0.04336 31 3 C 1S 0.00446 -0.00806 -0.00697 0.01806 0.01127 32 2S 0.01525 0.18749 0.32462 -0.07912 -0.00610 33 2PX -0.11891 0.11980 0.20977 -0.21979 -0.13598 34 2PY 0.07257 0.14419 -0.15552 -0.20138 -0.09130 35 2PZ 0.05210 -0.11304 -0.03096 0.21784 0.04230 36 3S 0.20284 -0.85114 -0.89136 0.51991 -0.00918 37 3PX 0.41884 -0.19200 -1.02751 0.40906 0.24263 38 3PY -0.58930 -0.48029 0.56970 0.35090 -0.01255 39 3PZ -0.33732 0.15909 0.42893 -0.27613 -0.13830 40 4XX -0.00828 -0.00462 0.02711 0.03208 0.00704 41 4YY 0.01155 0.00620 -0.01293 0.01282 0.00271 42 4ZZ 0.00117 0.01634 0.02762 -0.05484 -0.00530 43 4XY 0.01642 0.00108 0.01169 0.03461 0.02925 44 4XZ -0.00842 0.00959 -0.01662 -0.03622 -0.03833 45 4YZ -0.01158 -0.00643 -0.01501 -0.02655 -0.04336 46 4 C 1S 0.02269 0.00406 -0.00091 0.01104 0.00508 47 2S -0.15978 -0.08802 -0.01499 0.18126 -0.21812 48 2PX -0.07475 -0.14273 -0.15212 0.09477 -0.01344 49 2PY -0.28685 -0.07917 -0.13190 -0.07539 -0.31112 50 2PZ -0.04020 -0.02588 -0.11029 0.03357 -0.11381 51 3S 0.54432 0.53598 -0.31869 -0.30073 0.71724 52 3PX 0.43436 0.41742 -0.09612 -0.06355 0.10025 53 3PY 1.01301 0.12775 0.34956 0.23774 0.59859 54 3PZ -0.17802 -0.13552 0.31189 -0.03226 -0.00013 55 4XX 0.00472 -0.01560 -0.03286 -0.01627 -0.03218 56 4YY 0.03166 0.03452 0.03887 0.00774 0.02522 57 4ZZ -0.03818 -0.01444 -0.01574 0.04228 -0.02050 58 4XY -0.00800 0.00184 -0.01167 -0.03687 -0.01796 59 4XZ -0.00989 -0.00449 0.01106 -0.03285 -0.01619 60 4YZ 0.02180 -0.00517 0.01036 -0.03083 0.01046 61 5 H 1S -0.19466 0.16153 -0.13021 -0.03206 0.19702 62 2S 0.84412 -0.28570 0.44236 -0.03972 -0.68701 63 6 H 1S -0.03367 -0.04605 -0.03486 0.26739 0.17891 64 2S 0.16388 0.48487 -0.46022 -0.72536 -0.36002 65 7 H 1S 0.03367 -0.04605 0.03489 0.26738 0.17891 66 2S -0.16387 0.48485 0.46017 -0.72541 -0.36001 67 8 H 1S 0.19466 0.16152 0.13020 -0.03208 0.19702 68 2S -0.84412 -0.28568 -0.44235 -0.03967 -0.68703 69 9 C 1S 0.00000 -0.01090 0.00000 -0.01636 -0.01430 70 2S 0.00000 0.38403 0.00004 0.53176 -0.00482 71 2PX 0.00000 -0.05300 0.00003 0.43640 -0.10005 72 2PY -0.00376 0.00000 -0.03910 0.00000 0.00000 73 2PZ 0.00000 0.15853 0.00003 0.34314 -0.06461 74 3S 0.00000 -0.52650 -0.00006 -0.77054 0.47867 75 3PX 0.00000 -0.32739 -0.00004 -0.64148 0.19030 76 3PY 0.38690 -0.00001 0.06096 0.00000 0.00000 77 3PZ 0.00001 0.10765 -0.00007 -1.09895 0.11959 78 4XX 0.00000 -0.03327 0.00000 0.01048 -0.05422 79 4YY 0.00000 0.03789 0.00001 0.11118 0.02125 80 4ZZ 0.00000 0.05290 0.00000 -0.05300 0.02797 81 4XY -0.00315 0.00000 0.02639 0.00000 0.00000 82 4XZ 0.00000 -0.05165 -0.00001 -0.08296 -0.00542 83 4YZ -0.02593 0.00000 0.00674 0.00000 0.00000 84 10 H 1S 0.00000 -0.24505 0.00000 0.06595 -0.23934 85 2S 0.00000 -0.02331 0.00000 -0.07116 0.12743 86 11 H 1S 0.00000 -0.33998 -0.00003 -0.46527 -0.09078 87 2S -0.00001 0.43766 0.00011 1.54935 -0.18713 88 12 C 1S -0.02659 -0.01423 0.00128 0.01629 -0.00814 89 2S 0.18267 0.24985 -0.17699 0.18063 0.23931 90 2PX 0.15206 0.12679 0.11027 -0.28451 0.07136 91 2PY 0.10767 0.15273 -0.28702 -0.03856 0.15197 92 2PZ -0.33893 -0.18215 0.48392 0.14463 -0.15206 93 3S 0.15376 -0.80491 0.00487 -0.80045 -0.71761 94 3PX -0.60301 -0.25474 -0.29846 0.77948 -0.01564 95 3PY -0.98364 -0.43826 1.40012 -0.18759 -0.41175 96 3PZ 1.16108 0.35645 -1.30422 -0.50780 0.23387 97 4XX 0.00399 0.00838 -0.01208 -0.02136 0.00552 98 4YY 0.02817 0.01777 -0.04892 0.01623 0.02086 99 4ZZ -0.00422 -0.00171 0.01839 0.03142 0.00092 100 4XY -0.00331 -0.02736 0.00685 0.03019 0.00514 101 4XZ 0.02230 0.02160 -0.02412 -0.03703 -0.00827 102 4YZ 0.00576 0.02824 -0.02427 -0.01852 0.06761 103 13 C 1S 0.02659 -0.01423 -0.00128 0.01629 -0.00814 104 2S -0.18267 0.24984 0.17701 0.18061 0.23932 105 2PX -0.15205 0.12680 -0.11030 -0.28450 0.07136 106 2PY 0.10767 -0.15273 -0.28701 0.03860 -0.15198 107 2PZ 0.33893 -0.18213 -0.48390 0.14469 -0.15209 108 3S -0.15376 -0.80488 -0.00497 -0.80047 -0.71762 109 3PX 0.60300 -0.25478 0.29855 0.77947 -0.01566 110 3PY -0.98364 0.43822 1.40015 0.18739 0.41177 111 3PZ -1.16107 0.35642 1.30417 -0.50797 0.23396 112 4XX -0.00398 0.00838 0.01207 -0.02136 0.00552 113 4YY -0.02817 0.01777 0.04892 0.01622 0.02086 114 4ZZ 0.00421 -0.00171 -0.01839 0.03142 0.00092 115 4XY -0.00331 0.02736 0.00684 -0.03019 -0.00514 116 4XZ -0.02230 0.02159 0.02412 -0.03703 -0.00827 117 4YZ 0.00576 -0.02824 -0.02426 0.01852 -0.06761 118 14 C 1S -0.00901 0.00086 -0.01012 -0.00308 0.01660 119 2S -0.14086 0.05066 -0.22382 -0.24958 0.26840 120 2PX 0.16488 -0.18020 0.09601 -0.04770 -0.13702 121 2PY 0.03042 0.00101 0.03361 0.04794 -0.09459 122 2PZ 0.04883 -0.04381 0.09791 0.12836 0.04154 123 3S 0.26899 -0.32069 0.46208 1.09566 -0.78728 124 3PX -0.45262 0.63708 -0.16763 0.47905 0.63517 125 3PY 0.20952 -0.15622 -0.19389 0.24152 -0.40105 126 3PZ 0.17642 -0.16728 -0.61061 -0.49729 -0.38765 127 4XX 0.00975 -0.02424 0.03074 0.01629 0.03416 128 4YY -0.06355 0.02281 -0.09414 0.00263 0.00994 129 4ZZ 0.00868 0.01370 0.00189 -0.03115 -0.00035 130 4XY 0.03178 0.01907 -0.00541 0.03255 0.01773 131 4XZ 0.00320 0.01043 0.00286 0.00801 -0.01396 132 4YZ -0.02396 0.00076 -0.02351 -0.01160 -0.00888 133 15 C 1S -0.01572 0.00482 -0.00322 -0.00191 -0.01420 134 2S 0.08427 -0.68855 -0.11481 -0.09763 0.06282 135 2PX -0.31070 0.19766 -0.08509 0.03119 -0.32122 136 2PY -0.34587 0.21667 -0.14504 0.04232 -0.16498 137 2PZ 0.20672 -0.14758 -0.03569 -0.02463 0.23027 138 3S 0.40685 1.77909 0.74002 0.28083 0.19011 139 3PX 0.92949 -0.35368 0.37818 0.01407 0.80561 140 3PY 1.56539 -0.67704 0.58377 -0.11418 0.10341 141 3PZ -0.55188 0.16531 0.19123 0.02616 -0.63919 142 4XX -0.03633 0.02121 -0.03841 -0.01852 0.01438 143 4YY 0.06796 -0.06214 0.02416 -0.01206 -0.00622 144 4ZZ -0.00417 -0.04044 0.00157 0.00353 0.01061 145 4XY -0.01488 0.04600 -0.00461 0.01763 -0.05753 146 4XZ 0.04920 -0.01254 0.02323 0.00910 0.04308 147 4YZ 0.00629 -0.04113 0.00838 0.00378 0.05773 148 16 C 1S 0.01572 0.00482 0.00322 -0.00191 -0.01420 149 2S -0.08427 -0.68855 0.11478 -0.09764 0.06282 150 2PX 0.31069 0.19765 0.08511 0.03118 -0.32121 151 2PY -0.34587 -0.21667 -0.14506 -0.04230 0.16498 152 2PZ -0.20672 -0.14759 0.03567 -0.02464 0.23027 153 3S -0.40685 1.77909 -0.73994 0.28092 0.19009 154 3PX -0.92947 -0.35366 -0.37822 0.01412 0.80561 155 3PY 1.56540 0.67705 0.58381 0.11412 -0.10339 156 3PZ 0.55187 0.16533 -0.19119 0.02618 -0.63921 157 4XX 0.03633 0.02121 0.03841 -0.01853 0.01438 158 4YY -0.06796 -0.06214 -0.02416 -0.01206 -0.00622 159 4ZZ 0.00417 -0.04044 -0.00157 0.00353 0.01061 160 4XY -0.01488 -0.04600 -0.00462 -0.01763 0.05753 161 4XZ -0.04920 -0.01254 -0.02323 0.00911 0.04308 162 4YZ 0.00629 0.04113 0.00838 -0.00378 -0.05773 163 17 C 1S 0.00901 0.00086 0.01011 -0.00308 0.01660 164 2S 0.14087 0.05065 0.22378 -0.24960 0.26840 165 2PX -0.16489 -0.18019 -0.09601 -0.04769 -0.13702 166 2PY 0.03043 -0.00101 0.03360 -0.04795 0.09459 167 2PZ -0.04883 -0.04381 -0.09790 0.12837 0.04153 168 3S -0.26901 -0.32064 -0.46192 1.09569 -0.78726 169 3PX 0.45263 0.63709 0.16767 0.47903 0.63521 170 3PY 0.20952 0.15620 -0.19392 -0.24149 0.40104 171 3PZ -0.17642 -0.16732 0.61056 -0.49737 -0.38763 172 4XX -0.00975 -0.02424 -0.03074 0.01630 0.03416 173 4YY 0.06355 0.02281 0.09414 0.00262 0.00995 174 4ZZ -0.00868 0.01370 -0.00189 -0.03115 -0.00035 175 4XY 0.03178 -0.01907 -0.00541 -0.03255 -0.01773 176 4XZ -0.00320 0.01043 -0.00286 0.00801 -0.01396 177 4YZ -0.02396 -0.00076 -0.02351 0.01160 0.00888 178 18 H 1S -0.19920 -0.21301 0.25496 0.10562 -0.29949 179 2S 1.10975 0.70684 -1.23274 -0.44701 0.59583 180 19 H 1S 0.19920 -0.21300 -0.25495 0.10565 -0.29950 181 2S -1.10975 0.70682 1.23270 -0.44718 0.59590 182 20 H 1S -0.30465 0.25657 -0.08828 0.11710 -0.28212 183 2S 1.28999 -1.05977 0.27115 -0.13588 0.94693 184 21 H 1S 0.30465 0.25657 0.08831 0.11710 -0.28212 185 2S -1.28998 -1.05977 -0.27124 -0.13585 0.94693 186 22 O 1S 0.00727 0.00363 0.00362 -0.00287 0.00596 187 2S -0.12776 -0.06952 -0.20494 -0.00893 0.04568 188 2PX 0.04515 0.00495 -0.00914 0.02315 0.05766 189 2PY -0.08846 -0.02708 -0.13092 -0.04582 0.01535 190 2PZ 0.02852 0.03300 -0.04936 0.11189 0.13400 191 3S 0.05612 0.06360 0.42594 -0.03679 -0.16993 192 3PX -0.10397 -0.06426 -0.06436 -0.06603 -0.16507 193 3PY 0.23385 0.07216 0.25099 0.04456 0.07622 194 3PZ -0.03836 -0.04666 -0.04439 -0.04824 -0.10342 195 4XX -0.03620 -0.02695 -0.06871 0.00439 0.00356 196 4YY -0.04879 -0.01914 -0.07773 -0.03432 0.04328 197 4ZZ -0.03924 -0.01108 -0.05650 0.00302 -0.00277 198 4XY 0.01492 0.03108 -0.00758 0.01843 0.00378 199 4XZ -0.01111 -0.01109 -0.02588 0.01687 -0.01719 200 4YZ -0.00425 -0.01100 0.01200 -0.00766 -0.01170 201 23 O 1S -0.00727 0.00363 -0.00362 -0.00287 0.00596 202 2S 0.12776 -0.06952 0.20493 -0.00896 0.04569 203 2PX -0.04515 0.00495 0.00914 0.02315 0.05766 204 2PY -0.08846 0.02708 -0.13091 0.04583 -0.01535 205 2PZ -0.02852 0.03300 0.04937 0.11189 0.13400 206 3S -0.05612 0.06361 -0.42595 -0.03673 -0.16993 207 3PX 0.10397 -0.06426 0.06436 -0.06604 -0.16507 208 3PY 0.23385 -0.07217 0.25098 -0.04459 -0.07621 209 3PZ 0.03836 -0.04666 0.04439 -0.04825 -0.10342 210 4XX 0.03620 -0.02695 0.06871 0.00438 0.00356 211 4YY 0.04879 -0.01914 0.07772 -0.03433 0.04328 212 4ZZ 0.03924 -0.01108 0.05650 0.00301 -0.00277 213 4XY 0.01492 -0.03108 -0.00758 -0.01843 -0.00378 214 4XZ 0.01111 -0.01109 0.02588 0.01686 -0.01718 215 4YZ -0.00425 0.01100 0.01200 0.00765 0.01170 111 112 113 114 115 V V V V V Eigenvalues -- 0.91002 0.91387 0.93184 0.94844 0.98571 1 1 C 1S -0.01238 0.00013 0.00270 0.00363 -0.00977 2 2S -0.36760 0.44037 0.25136 -0.02837 0.22975 3 2PX -0.15572 -0.05040 0.12736 -0.26405 -0.12975 4 2PY 0.18746 -0.23995 -0.31019 0.03638 0.10683 5 2PZ 0.10096 0.00418 0.09823 0.02992 -0.12984 6 3S 1.63380 -0.88529 -0.87395 0.44830 -0.04433 7 3PX 0.67298 0.05152 -0.45193 0.77769 -0.07154 8 3PY -0.63375 0.40743 0.54620 -0.21302 0.23168 9 3PZ -0.71438 0.09558 -0.14984 -0.41767 0.45131 10 4XX -0.02217 0.03430 0.01950 -0.00190 -0.03353 11 4YY -0.03248 -0.03976 -0.06014 0.02106 0.08996 12 4ZZ 0.01305 0.06002 0.07198 -0.01725 -0.03762 13 4XY 0.00643 -0.03676 0.02682 0.01198 0.01093 14 4XZ 0.01057 -0.02342 0.00606 -0.01951 -0.00592 15 4YZ -0.00406 0.01700 0.04024 -0.00654 -0.01536 16 2 C 1S 0.00090 0.00185 -0.00061 -0.00724 -0.00866 17 2S -0.42820 0.39801 0.01316 0.27418 -0.28323 18 2PX -0.13842 0.09869 -0.06083 -0.07297 -0.02017 19 2PY -0.24141 -0.12285 -0.00657 0.00805 0.13614 20 2PZ 0.19953 -0.16208 0.02870 0.09432 0.03840 21 3S 1.13131 -0.71864 0.33839 -0.87513 0.93991 22 3PX 1.08713 -0.25913 0.08403 0.25854 -0.01839 23 3PY 1.46264 0.23459 -0.19681 0.32637 -0.47929 24 3PZ -0.88813 0.35837 0.02426 -0.41789 -0.07108 25 4XX -0.03554 0.03437 -0.00467 -0.00590 -0.00374 26 4YY 0.02551 0.03236 -0.00041 0.00909 -0.01493 27 4ZZ -0.04135 -0.01505 -0.00022 0.01499 -0.02350 28 4XY -0.00394 0.04049 0.03801 -0.01125 -0.01189 29 4XZ 0.05200 0.02576 -0.00520 -0.00299 -0.00103 30 4YZ 0.00376 -0.05999 0.02307 0.01576 -0.01898 31 3 C 1S -0.00090 0.00185 -0.00061 0.00724 -0.00866 32 2S 0.42819 0.39803 0.01317 -0.27418 -0.28321 33 2PX 0.13842 0.09870 -0.06083 0.07297 -0.02017 34 2PY -0.24142 0.12284 0.00657 0.00805 -0.13614 35 2PZ -0.19952 -0.16209 0.02870 -0.09432 0.03841 36 3S -1.13128 -0.71870 0.33838 0.87518 0.93984 37 3PX -1.08712 -0.25918 0.08404 -0.25854 -0.01837 38 3PY 1.46265 -0.23452 0.19680 0.32640 0.47927 39 3PZ 0.88811 0.35840 0.02425 0.41789 -0.07112 40 4XX 0.03554 0.03438 -0.00467 0.00590 -0.00374 41 4YY -0.02551 0.03236 -0.00041 -0.00909 -0.01493 42 4ZZ 0.04135 -0.01504 -0.00022 -0.01499 -0.02350 43 4XY -0.00394 -0.04049 -0.03801 -0.01125 0.01189 44 4XZ -0.05200 0.02576 -0.00520 0.00299 -0.00103 45 4YZ 0.00376 0.05999 -0.02307 0.01576 0.01897 46 4 C 1S 0.01238 0.00013 0.00270 -0.00363 -0.00977 47 2S 0.36758 0.44038 0.25136 0.02838 0.22972 48 2PX 0.15573 -0.05040 0.12736 0.26405 -0.12976 49 2PY 0.18744 0.23996 0.31019 0.03639 -0.10684 50 2PZ -0.10096 0.00418 0.09823 -0.02992 -0.12984 51 3S -1.63377 -0.88534 -0.87396 -0.44833 -0.04424 52 3PX -0.67299 0.05149 -0.45192 -0.77771 -0.07150 53 3PY -0.63371 -0.40746 -0.54619 -0.21303 -0.23167 54 3PZ 0.71438 0.09562 -0.14984 0.41768 0.45129 55 4XX 0.02217 0.03430 0.01950 0.00190 -0.03353 56 4YY 0.03248 -0.03976 -0.06014 -0.02105 0.08996 57 4ZZ -0.01306 0.06002 0.07198 0.01725 -0.03762 58 4XY 0.00643 0.03676 -0.02682 0.01198 -0.01093 59 4XZ -0.01057 -0.02342 0.00606 0.01951 -0.00592 60 4YZ -0.00406 -0.01700 -0.04024 -0.00654 0.01536 61 5 H 1S 0.02977 -0.20146 -0.25813 0.03122 0.15553 62 2S -0.54773 0.66573 0.82538 -0.16432 -0.18250 63 6 H 1S -0.06343 -0.12206 0.02526 0.06588 -0.04865 64 2S -0.34093 0.70100 -0.16734 0.00411 -0.35311 65 7 H 1S 0.06344 -0.12206 0.02526 -0.06588 -0.04864 66 2S 0.34090 0.70102 -0.16735 -0.00413 -0.35311 67 8 H 1S -0.02976 -0.20146 -0.25813 -0.03122 0.15553 68 2S 0.54770 0.66575 0.82538 0.16433 -0.18251 69 9 C 1S 0.00000 0.00721 -0.00673 0.00000 0.03965 70 2S -0.00001 0.40286 0.01635 0.00000 0.02266 71 2PX 0.00000 -0.08666 0.15986 0.00000 0.11778 72 2PY 0.07732 0.00000 0.00000 0.01373 0.00000 73 2PZ 0.00000 0.09078 0.14459 0.00000 -0.24225 74 3S 0.00003 -0.98479 -0.29725 0.00000 -0.33880 75 3PX 0.00001 0.00163 0.24883 0.00000 -0.52222 76 3PY -0.47972 -0.00002 0.00001 -0.43745 0.00000 77 3PZ 0.00000 -0.25519 -0.10932 0.00001 0.63767 78 4XX 0.00000 -0.00423 0.07520 0.00000 0.04689 79 4YY 0.00000 0.06972 0.03937 0.00000 -0.07300 80 4ZZ 0.00000 -0.00516 -0.11601 0.00000 0.05378 81 4XY -0.05250 0.00000 0.00000 -0.02296 0.00000 82 4XZ 0.00000 0.04261 -0.03205 0.00000 -0.07115 83 4YZ -0.00403 0.00000 0.00000 0.01128 0.00000 84 10 H 1S 0.00000 -0.06664 0.25489 0.00001 0.47198 85 2S 0.00000 0.35547 -0.13497 -0.00001 -0.99463 86 11 H 1S 0.00000 0.06327 -0.37275 0.00000 0.26986 87 2S -0.00001 0.26892 0.48078 0.00000 -0.23474 88 12 C 1S -0.00066 0.00317 0.00078 0.01655 -0.00270 89 2S 0.28587 0.04930 0.30448 -0.08722 0.47819 90 2PX 0.02560 -0.18468 0.13149 -0.12221 0.06108 91 2PY -0.24905 0.01036 0.15956 0.13781 0.11294 92 2PZ -0.34304 0.12643 -0.38813 -0.00464 -0.00993 93 3S -1.29425 -0.48752 -0.37119 -0.99116 -1.03872 94 3PX -0.84847 0.54929 -0.47054 1.54984 0.11732 95 3PY 2.17056 -0.17693 -0.06538 -1.59354 -0.37549 96 3PZ 1.75540 -0.31035 0.73173 -0.87376 0.06921 97 4XX 0.00633 0.00031 0.05030 -0.01003 0.00761 98 4YY -0.02782 0.01405 0.01646 0.00924 0.06191 99 4ZZ 0.04779 -0.01471 0.00179 -0.01739 -0.02931 100 4XY -0.00384 -0.00797 -0.04732 0.01976 0.01349 101 4XZ -0.04976 -0.02726 0.03989 0.02837 -0.02413 102 4YZ -0.00907 -0.01993 0.06605 -0.00291 -0.01102 103 13 C 1S 0.00066 0.00317 0.00078 -0.01655 -0.00270 104 2S -0.28587 0.04930 0.30447 0.08724 0.47820 105 2PX -0.02560 -0.18468 0.13148 0.12222 0.06107 106 2PY -0.24905 -0.01037 -0.15957 0.13780 -0.11295 107 2PZ 0.34304 0.12644 -0.38813 0.00463 -0.00993 108 3S 1.29426 -0.48749 -0.37119 0.99112 -1.03878 109 3PX 0.84847 0.54933 -0.47052 -1.54987 0.11742 110 3PY 2.17055 0.17701 0.06544 -1.59351 0.37559 111 3PZ -1.75539 -0.31041 0.73171 0.87378 0.06918 112 4XX -0.00633 0.00031 0.05029 0.01003 0.00761 113 4YY 0.02782 0.01405 0.01646 -0.00924 0.06191 114 4ZZ -0.04779 -0.01471 0.00179 0.01739 -0.02931 115 4XY -0.00384 0.00797 0.04732 0.01976 -0.01349 116 4XZ 0.04976 -0.02726 0.03989 -0.02837 -0.02413 117 4YZ -0.00907 0.01993 -0.06605 -0.00291 0.01102 118 14 C 1S -0.00669 0.00520 0.00177 -0.01215 -0.02154 119 2S -0.25034 0.21191 0.10440 -0.30620 -0.53083 120 2PX -0.18321 -0.19208 0.22625 0.18529 -0.08962 121 2PY 0.13225 -0.00967 -0.09407 0.14377 -0.00003 122 2PZ -0.00770 0.17499 -0.01190 -0.27931 -0.01649 123 3S 1.44371 -0.91158 -0.25093 1.15708 1.34174 124 3PX 1.61708 1.02441 -0.96790 -2.81934 0.08831 125 3PY -0.38028 -0.04178 0.20663 -0.76377 -0.24632 126 3PZ -0.44705 -0.83072 0.26941 2.29573 -0.07226 127 4XX -0.02613 0.02151 0.02177 0.00464 -0.01128 128 4YY -0.02233 -0.02371 -0.02733 -0.06050 -0.06938 129 4ZZ 0.03251 0.01267 0.00289 0.01069 0.00942 130 4XY 0.00008 0.04765 -0.01203 -0.00955 0.01153 131 4XZ -0.02195 -0.01375 -0.01056 0.00378 0.01464 132 4YZ -0.00606 -0.02823 -0.00289 0.00730 -0.02336 133 15 C 1S -0.00205 -0.01850 0.00800 0.00204 -0.00187 134 2S 0.08825 -0.28489 0.17509 -0.44793 -0.14072 135 2PX 0.03283 -0.20577 -0.04104 0.28210 -0.11451 136 2PY 0.01148 -0.02750 -0.02450 -0.31321 -0.08852 137 2PZ 0.07668 0.17529 -0.01174 -0.16995 0.01524 138 3S 0.28033 1.18364 -0.80946 2.47783 -0.26482 139 3PX 0.07735 0.72704 -0.12119 -2.07619 0.20426 140 3PY -0.33866 -0.35971 0.22136 4.09192 0.44323 141 3PZ -0.58574 -0.58669 0.24010 1.45836 -0.01387 142 4XX 0.02796 -0.01471 -0.01812 -0.05935 -0.02409 143 4YY 0.00359 -0.03015 0.02633 0.05449 -0.02450 144 4ZZ -0.00925 0.00772 0.01818 -0.04503 0.03517 145 4XY -0.01510 -0.05487 0.01861 0.00102 0.01385 146 4XZ -0.00430 0.05205 -0.00992 0.04338 -0.00354 147 4YZ -0.00065 0.04102 0.00507 -0.00273 -0.04466 148 16 C 1S 0.00205 -0.01850 0.00800 -0.00204 -0.00187 149 2S -0.08824 -0.28489 0.17508 0.44794 -0.14074 150 2PX -0.03283 -0.20577 -0.04104 -0.28211 -0.11451 151 2PY 0.01148 0.02751 0.02451 -0.31320 0.08854 152 2PZ -0.07668 0.17529 -0.01174 0.16995 0.01524 153 3S -0.28038 1.18361 -0.80941 -2.47790 -0.26475 154 3PX -0.07737 0.72705 -0.12125 2.07623 0.20416 155 3PY -0.33868 0.35970 -0.22147 4.09187 -0.44340 156 3PZ 0.58575 -0.58668 0.24014 -1.45835 -0.01381 157 4XX -0.02796 -0.01471 -0.01813 0.05935 -0.02409 158 4YY -0.00359 -0.03015 0.02633 -0.05449 -0.02449 159 4ZZ 0.00925 0.00772 0.01818 0.04504 0.03517 160 4XY -0.01510 0.05487 -0.01861 0.00102 -0.01385 161 4XZ 0.00430 0.05205 -0.00991 -0.04338 -0.00353 162 4YZ -0.00065 -0.04102 -0.00507 -0.00273 0.04466 163 17 C 1S 0.00669 0.00520 0.00177 0.01215 -0.02154 164 2S 0.25033 0.21192 0.10439 0.30618 -0.53084 165 2PX 0.18321 -0.19207 0.22626 -0.18528 -0.08962 166 2PY 0.13224 0.00968 0.09407 0.14378 0.00003 167 2PZ 0.00769 0.17499 -0.01191 0.27931 -0.01650 168 3S -1.44367 -0.91165 -0.25089 -1.15703 1.34176 169 3PX -1.61712 1.02435 -0.96799 2.81929 0.08819 170 3PY -0.38027 0.04175 -0.20663 -0.76380 0.24634 171 3PZ 0.44707 -0.83070 0.26947 -2.29571 -0.07214 172 4XX 0.02613 0.02151 0.02177 -0.00463 -0.01128 173 4YY 0.02233 -0.02370 -0.02733 0.06050 -0.06938 174 4ZZ -0.03251 0.01267 0.00289 -0.01069 0.00942 175 4XY 0.00008 -0.04765 0.01203 -0.00955 -0.01152 176 4XZ 0.02196 -0.01375 -0.01056 -0.00378 0.01464 177 4YZ -0.00606 0.02823 0.00289 0.00730 0.02336 178 18 H 1S 0.15720 -0.02273 -0.29553 -0.08130 -0.08409 179 2S 0.49030 -0.22141 1.03820 -0.17277 0.38303 180 19 H 1S -0.15720 -0.02274 -0.29553 0.08129 -0.08409 181 2S -0.49029 -0.22142 1.03820 0.17281 0.38304 182 20 H 1S -0.01117 -0.14067 -0.06947 -0.05283 0.09205 183 2S 0.11039 0.48427 0.08818 -0.38383 0.16509 184 21 H 1S 0.01118 -0.14067 -0.06947 0.05284 0.09205 185 2S -0.11039 0.48428 0.08817 0.38385 0.16508 186 22 O 1S -0.00284 -0.00217 -0.00242 -0.00777 0.00823 187 2S -0.10380 0.01137 0.07372 -0.13795 0.07589 188 2PX 0.04888 -0.22869 0.02975 0.09473 -0.20233 189 2PY -0.02055 0.06239 0.05697 -0.11962 0.13277 190 2PZ 0.17723 0.02189 -0.12621 0.02495 -0.18142 191 3S 0.52843 0.17583 0.03044 0.82046 -0.53825 192 3PX 0.17426 0.13171 0.14649 -0.42368 0.24058 193 3PY 0.01785 -0.14883 -0.08373 0.10988 -0.13173 194 3PZ -0.21047 0.09341 0.09809 0.27236 0.20919 195 4XX -0.02244 0.00255 0.01579 -0.06040 0.03119 196 4YY -0.00930 0.03157 0.04880 -0.02677 0.01750 197 4ZZ -0.06815 -0.00870 0.00115 -0.07674 0.07707 198 4XY -0.01220 0.02347 -0.00634 0.00714 0.02565 199 4XZ -0.01215 -0.01501 0.00688 -0.02917 0.02555 200 4YZ -0.00375 -0.02088 -0.00699 -0.02806 0.00422 201 23 O 1S 0.00284 -0.00217 -0.00242 0.00777 0.00823 202 2S 0.10380 0.01137 0.07371 0.13796 0.07589 203 2PX -0.04887 -0.22870 0.02976 -0.09473 -0.20234 204 2PY -0.02055 -0.06239 -0.05697 -0.11963 -0.13277 205 2PZ -0.17723 0.02188 -0.12621 -0.02496 -0.18142 206 3S -0.52844 0.17581 0.03045 -0.82049 -0.53823 207 3PX -0.17427 0.13170 0.14647 0.42370 0.24058 208 3PY 0.01785 0.14883 0.08372 0.10988 0.13174 209 3PZ 0.21046 0.09341 0.09809 -0.27235 0.20920 210 4XX 0.02244 0.00255 0.01579 0.06040 0.03119 211 4YY 0.00931 0.03157 0.04880 0.02677 0.01750 212 4ZZ 0.06815 -0.00870 0.00115 0.07674 0.07707 213 4XY -0.01220 -0.02347 0.00634 0.00714 -0.02566 214 4XZ 0.01215 -0.01501 0.00688 0.02917 0.02555 215 4YZ -0.00375 0.02088 0.00699 -0.02806 -0.00422 116 117 118 119 120 V V V V V Eigenvalues -- 1.01500 1.02556 1.03787 1.04649 1.05893 1 1 C 1S -0.00081 -0.01690 0.00582 -0.00537 0.00336 2 2S -0.24647 -0.51359 -0.13887 0.08892 -0.02214 3 2PX -0.18390 -0.08200 0.17710 -0.08060 0.03965 4 2PY 0.04824 0.02383 0.10372 -0.05617 0.00742 5 2PZ 0.05408 0.05800 -0.07308 0.04944 0.06233 6 3S 1.11038 2.22272 0.15748 0.34319 0.09301 7 3PX 1.01137 0.76942 -0.40448 0.55026 0.05173 8 3PY -0.70323 0.12371 -0.07358 0.35373 -0.22794 9 3PZ -0.59374 -0.40839 0.53459 -0.47608 -0.16036 10 4XX 0.01637 0.06143 -0.02803 0.02143 0.03136 11 4YY -0.06932 -0.06961 -0.00360 0.00182 -0.02750 12 4ZZ 0.03358 -0.04303 0.01866 -0.00836 -0.00024 13 4XY 0.01058 -0.01132 0.00902 -0.01383 0.01053 14 4XZ -0.00181 0.00049 0.01359 -0.01935 -0.00706 15 4YZ 0.00837 0.03855 -0.03197 0.00957 0.01615 16 2 C 1S 0.02045 -0.00592 -0.00504 0.00215 0.00272 17 2S 0.65600 0.13869 -0.09244 0.02868 0.16272 18 2PX -0.12895 -0.08142 -0.05273 0.01293 -0.04547 19 2PY -0.20495 -0.08056 0.06680 -0.03233 0.00877 20 2PZ -0.05171 0.13974 0.01364 0.06468 0.00673 21 3S -2.30237 -0.78990 0.66025 -0.67592 -0.31603 22 3PX 0.26612 0.85954 -0.08091 0.54170 0.15268 23 3PY 1.14026 0.75197 -0.22375 0.06190 0.14140 24 3PZ 0.05975 -1.03630 0.11699 -0.57938 -0.05094 25 4XX 0.04153 -0.04965 0.04098 -0.00732 -0.00039 26 4YY 0.05223 0.01394 -0.01030 0.00530 0.00519 27 4ZZ -0.00661 0.03451 -0.04106 -0.00164 0.01400 28 4XY -0.04409 0.01482 -0.00368 0.01203 0.00213 29 4XZ -0.03016 0.02005 0.00245 0.02144 -0.01557 30 4YZ 0.04913 -0.00606 -0.02986 -0.01008 -0.00105 31 3 C 1S 0.02045 0.00592 -0.00504 -0.00215 -0.00272 32 2S 0.65599 -0.13870 -0.09244 -0.02870 -0.16276 33 2PX -0.12895 0.08142 -0.05273 -0.01293 0.04548 34 2PY 0.20496 -0.08056 -0.06679 -0.03234 0.00876 35 2PZ -0.05171 -0.13974 0.01364 -0.06468 -0.00673 36 3S -2.30234 0.78994 0.66023 0.67598 0.31615 37 3PX 0.26613 -0.85954 -0.08090 -0.54172 -0.15270 38 3PY -1.14027 0.75200 0.22376 0.06191 0.14144 39 3PZ 0.05975 1.03629 0.11697 0.57939 0.05095 40 4XX 0.04153 0.04965 0.04098 0.00732 0.00038 41 4YY 0.05223 -0.01394 -0.01030 -0.00530 -0.00520 42 4ZZ -0.00661 -0.03451 -0.04106 0.00164 -0.01399 43 4XY 0.04409 0.01482 0.00368 0.01203 0.00213 44 4XZ -0.03016 -0.02005 0.00245 -0.02144 0.01558 45 4YZ -0.04913 -0.00606 0.02986 -0.01008 -0.00105 46 4 C 1S -0.00081 0.01690 0.00582 0.00537 -0.00336 47 2S -0.24647 0.51360 -0.13886 -0.08893 0.02218 48 2PX -0.18390 0.08199 0.17709 0.08061 -0.03966 49 2PY -0.04824 0.02383 -0.10372 -0.05618 0.00744 50 2PZ 0.05408 -0.05800 -0.07308 -0.04945 -0.06233 51 3S 1.11037 -2.22272 0.15746 -0.34320 -0.09312 52 3PX 1.01137 -0.76943 -0.40446 -0.55029 -0.05176 53 3PY 0.70323 0.12369 0.07357 0.35374 -0.22799 54 3PZ -0.59375 0.40841 0.53458 0.47611 0.16038 55 4XX 0.01637 -0.06143 -0.02803 -0.02143 -0.03136 56 4YY -0.06932 0.06961 -0.00360 -0.00182 0.02750 57 4ZZ 0.03358 0.04303 0.01866 0.00836 0.00024 58 4XY -0.01058 -0.01132 -0.00902 -0.01383 0.01053 59 4XZ -0.00181 -0.00049 0.01359 0.01935 0.00706 60 4YZ -0.00837 0.03855 0.03197 0.00957 0.01615 61 5 H 1S -0.26307 -0.16842 0.07895 -0.03513 -0.15050 62 2S -0.18974 0.01108 -0.28831 0.31937 0.02953 63 6 H 1S 0.27923 -0.05808 0.00089 -0.11552 0.03388 64 2S 0.51148 -0.13847 -0.09559 -0.13316 0.02456 65 7 H 1S 0.27923 0.05808 0.00088 0.11552 -0.03389 66 2S 0.51147 0.13846 -0.09559 0.13316 -0.02458 67 8 H 1S -0.26307 0.16843 0.07895 0.03514 0.15050 68 2S -0.18974 -0.01108 -0.28830 -0.31939 -0.02948 69 9 C 1S -0.01195 0.00000 0.02227 0.00000 0.00000 70 2S -0.58152 0.00001 -0.15363 -0.00001 -0.00001 71 2PX 0.20215 0.00000 0.39671 0.00002 0.00000 72 2PY 0.00000 -0.10298 0.00000 0.02929 0.00708 73 2PZ -0.42054 0.00000 -0.12186 -0.00001 -0.00001 74 3S 2.60841 -0.00003 -0.07231 0.00002 0.00001 75 3PX -0.69945 0.00000 -0.91492 -0.00004 -0.00001 76 3PY 0.00000 0.39473 0.00001 -0.29711 -0.12842 77 3PZ 0.49354 0.00001 0.15685 0.00001 0.00002 78 4XX 0.02192 0.00000 0.08104 0.00000 0.00000 79 4YY -0.01671 0.00000 -0.04288 0.00000 0.00000 80 4ZZ -0.07108 0.00000 -0.03236 0.00000 0.00000 81 4XY 0.00000 0.02120 0.00000 0.00096 0.00610 82 4XZ 0.01905 0.00000 0.00991 0.00000 0.00000 83 4YZ 0.00000 0.01558 0.00000 0.02235 -0.00300 84 10 H 1S 0.28397 0.00000 0.43370 0.00002 0.00001 85 2S -1.35074 0.00000 -1.14652 -0.00006 -0.00003 86 11 H 1S 0.13577 0.00000 0.18093 0.00001 0.00001 87 2S -0.59572 0.00000 0.13243 0.00000 -0.00001 88 12 C 1S -0.00799 -0.00602 -0.00220 0.00237 0.01137 89 2S -0.15281 0.38413 -0.20119 0.01924 0.02941 90 2PX -0.17563 -0.13007 -0.02326 0.09036 0.08227 91 2PY 0.05941 -0.05047 -0.15596 -0.01131 0.14577 92 2PZ -0.01066 0.09342 -0.01077 -0.13018 0.01410 93 3S -0.04201 -0.12709 0.49175 -0.75658 -0.64064 94 3PX 0.48763 0.87780 0.16705 -0.39363 0.39155 95 3PY -0.15408 -0.72574 0.51197 1.37474 -0.11999 96 3PZ -0.05525 -0.37991 -0.08959 0.66137 -0.56186 97 4XX -0.00233 0.05477 0.01087 0.02882 0.01992 98 4YY -0.02312 0.02972 0.00025 -0.01714 0.00430 99 4ZZ -0.00100 -0.03463 -0.03740 -0.01787 -0.01977 100 4XY 0.04422 -0.04133 0.00387 0.01194 0.00289 101 4XZ -0.02446 -0.03377 0.01207 0.02428 0.00567 102 4YZ 0.06578 0.02305 0.04739 0.01727 -0.01027 103 13 C 1S -0.00799 0.00602 -0.00220 -0.00237 -0.01137 104 2S -0.15282 -0.38411 -0.20120 -0.01926 -0.02940 105 2PX -0.17563 0.13007 -0.02325 -0.09036 -0.08225 106 2PY -0.05941 -0.05048 0.15596 -0.01130 0.14577 107 2PZ -0.01066 -0.09341 -0.01078 0.13018 -0.01409 108 3S -0.04201 0.12707 0.49174 0.75662 0.64065 109 3PX 0.48762 -0.87781 0.16698 0.39365 -0.39157 110 3PY 0.15407 -0.72572 -0.51208 1.37469 -0.12001 111 3PZ -0.05524 0.37990 -0.08954 -0.66138 0.56184 112 4XX -0.00233 -0.05477 0.01088 -0.02882 -0.01992 113 4YY -0.02312 -0.02972 0.00025 0.01714 -0.00430 114 4ZZ -0.00100 0.03463 -0.03740 0.01787 0.01977 115 4XY -0.04422 -0.04133 -0.00387 0.01194 0.00289 116 4XZ -0.02446 0.03377 0.01207 -0.02428 -0.00567 117 4YZ -0.06578 0.02305 -0.04739 0.01727 -0.01026 118 14 C 1S -0.01843 -0.00443 0.02443 -0.00404 -0.00374 119 2S -0.38428 -0.36214 0.47265 -0.00622 0.08752 120 2PX 0.01168 -0.00810 0.01413 -0.22417 0.02380 121 2PY -0.04840 -0.26727 -0.01631 0.10679 0.10427 122 2PZ -0.04648 -0.10641 0.10437 -0.10378 0.03740 123 3S 1.03670 0.31391 -1.83392 -0.12242 -0.04092 124 3PX -0.07774 -0.41815 0.30960 1.53451 -0.56542 125 3PY 0.33732 0.64544 0.61884 -0.66446 -0.65174 126 3PZ 0.13403 0.65553 -0.56906 -0.12264 0.12757 127 4XX 0.01401 -0.06727 0.01811 0.00525 0.04498 128 4YY -0.03073 0.02378 0.06954 -0.03165 -0.02270 129 4ZZ -0.03752 -0.01528 -0.04023 0.01715 -0.01032 130 4XY 0.00937 -0.01893 0.00546 0.01151 -0.09037 131 4XZ 0.01590 0.08714 -0.01086 -0.01802 -0.02175 132 4YZ -0.02551 0.02632 -0.00345 -0.02677 0.04484 133 15 C 1S -0.00299 0.00996 -0.02252 -0.01022 0.01709 134 2S -0.14002 -0.13381 -0.54732 -0.03832 0.60373 135 2PX -0.02475 -0.11379 -0.00431 0.02425 0.07405 136 2PY 0.00920 -0.22543 0.16743 0.10066 0.04586 137 2PZ -0.07978 0.04929 -0.06034 -0.01946 -0.10996 138 3S -0.13974 -0.42696 1.83698 0.80932 -0.80104 139 3PX -0.13523 -0.00647 0.10372 0.38333 -0.24559 140 3PY 0.08690 0.48058 -0.96902 -0.55003 0.67653 141 3PZ 0.26507 -0.05437 0.11062 -0.70129 0.47557 142 4XX -0.03556 -0.00835 -0.08461 0.03710 0.03365 143 4YY -0.00450 0.00853 -0.04066 -0.00695 0.03350 144 4ZZ 0.01943 -0.02101 0.04765 -0.02823 0.04085 145 4XY 0.02858 0.03328 -0.03617 -0.00704 -0.00336 146 4XZ -0.00383 0.03531 0.01051 -0.00258 -0.08304 147 4YZ -0.02036 -0.02626 0.02078 0.01524 0.01310 148 16 C 1S -0.00300 -0.00996 -0.02252 0.01022 -0.01709 149 2S -0.14002 0.13381 -0.54733 0.03828 -0.60374 150 2PX -0.02475 0.11379 -0.00431 -0.02425 -0.07405 151 2PY -0.00920 -0.22543 -0.16744 0.10064 0.04586 152 2PZ -0.07978 -0.04929 -0.06034 0.01946 0.10996 153 3S -0.13973 0.42694 1.83704 -0.80918 0.80105 154 3PX -0.13524 0.00648 0.10379 -0.38333 0.24560 155 3PY -0.08689 0.48056 0.96911 -0.54994 0.67653 156 3PZ 0.26507 0.05436 0.11055 0.70130 -0.47557 157 4XX -0.03556 0.00835 -0.08460 -0.03711 -0.03365 158 4YY -0.00450 -0.00853 -0.04066 0.00695 -0.03351 159 4ZZ 0.01943 0.02101 0.04765 0.02823 -0.04085 160 4XY -0.02858 0.03328 0.03617 -0.00704 -0.00336 161 4XZ -0.00383 -0.03531 0.01051 0.00258 0.08304 162 4YZ 0.02035 -0.02626 -0.02078 0.01524 0.01311 163 17 C 1S -0.01843 0.00443 0.02443 0.00404 0.00374 164 2S -0.38428 0.36213 0.47265 0.00625 -0.08752 165 2PX 0.01168 0.00809 0.01411 0.22417 -0.02381 166 2PY 0.04839 -0.26727 0.01630 0.10679 0.10427 167 2PZ -0.04648 0.10641 0.10436 0.10378 -0.03741 168 3S 1.03670 -0.31387 -1.83394 0.12229 0.04092 169 3PX -0.07773 0.41816 0.30974 -1.53447 0.56543 170 3PY -0.33732 0.64545 -0.61881 -0.66450 -0.65175 171 3PZ 0.13403 -0.65552 -0.56910 0.12261 -0.12751 172 4XX 0.01401 0.06727 0.01811 -0.00525 -0.04499 173 4YY -0.03073 -0.02378 0.06954 0.03165 0.02271 174 4ZZ -0.03752 0.01528 -0.04022 -0.01716 0.01032 175 4XY -0.00937 -0.01894 -0.00546 0.01151 -0.09037 176 4XZ 0.01590 -0.08714 -0.01086 0.01802 0.02175 177 4YZ 0.02551 0.02632 0.00346 -0.02677 0.04484 178 18 H 1S -0.10679 -0.16717 -0.12681 -0.13760 -0.12236 179 2S 0.00573 0.05932 -0.20222 0.31788 -0.12450 180 19 H 1S -0.10679 0.16717 -0.12682 0.13759 0.12236 181 2S 0.00574 -0.05931 -0.20220 -0.31790 0.12449 182 20 H 1S 0.01860 0.02685 -0.15164 0.04395 0.15033 183 2S -0.17814 0.19999 -0.49252 0.02681 0.01778 184 21 H 1S 0.01860 -0.02684 -0.15163 -0.04396 -0.15033 185 2S -0.17814 -0.19998 -0.49251 -0.02685 -0.01778 186 22 O 1S -0.00229 -0.00020 -0.01670 -0.00352 -0.00565 187 2S -0.05949 -0.09699 -0.16177 0.03422 0.02565 188 2PX 0.04910 -0.23871 -0.10154 -0.16490 -0.39005 189 2PY 0.07037 0.18734 -0.22952 -0.18124 -0.21283 190 2PZ 0.06889 -0.07059 -0.17640 -0.51867 0.21972 191 3S 0.09655 -0.02227 1.00323 0.17862 0.29455 192 3PX -0.01668 0.27542 0.11938 0.43464 0.49627 193 3PY -0.11692 -0.32630 0.14370 0.27406 0.25696 194 3PZ -0.12431 0.15718 0.32670 0.69992 -0.30757 195 4XX -0.00108 -0.00230 -0.06504 -0.00444 -0.02768 196 4YY -0.02711 -0.04302 -0.03758 0.01830 0.01701 197 4ZZ -0.00693 -0.00226 -0.10883 -0.02159 -0.01042 198 4XY 0.01033 0.02670 0.00122 -0.00786 0.05159 199 4XZ 0.01024 -0.01207 -0.06496 -0.00940 -0.02228 200 4YZ -0.00796 -0.01246 -0.01159 0.02903 -0.03549 201 23 O 1S -0.00229 0.00020 -0.01670 0.00352 0.00565 202 2S -0.05949 0.09699 -0.16176 -0.03424 -0.02565 203 2PX 0.04911 0.23871 -0.10154 0.16490 0.39006 204 2PY -0.07037 0.18733 0.22953 -0.18122 -0.21284 205 2PZ 0.06889 0.07059 -0.17644 0.51867 -0.21968 206 3S 0.09655 0.02224 1.00323 -0.17854 -0.29454 207 3PX -0.01668 -0.27542 0.11940 -0.43463 -0.49629 208 3PY 0.11691 -0.32630 -0.14372 0.27406 0.25697 209 3PZ -0.12430 -0.15718 0.32674 -0.69991 0.30751 210 4XX -0.00108 0.00230 -0.06504 0.00443 0.02768 211 4YY -0.02711 0.04302 -0.03758 -0.01831 -0.01701 212 4ZZ -0.00693 0.00226 -0.10883 0.02158 0.01042 213 4XY -0.01033 0.02670 -0.00122 -0.00786 0.05159 214 4XZ 0.01024 0.01207 -0.06496 0.00939 0.02228 215 4YZ 0.00796 -0.01247 0.01159 0.02903 -0.03549 121 122 123 124 125 V V V V V Eigenvalues -- 1.06136 1.09491 1.11592 1.14930 1.16924 1 1 C 1S -0.00460 0.01313 0.00234 -0.00365 0.01784 2 2S -0.44547 0.16939 0.18740 0.18492 0.42707 3 2PX -0.03090 -0.13506 -0.01403 0.17816 -0.06632 4 2PY 0.16335 0.08588 -0.07051 0.23430 0.08467 5 2PZ 0.01044 0.02698 -0.00135 -0.16898 -0.05079 6 3S 1.47738 0.38346 -0.23874 0.98405 -1.98096 7 3PX 0.38143 0.80879 0.00816 -0.30608 0.06271 8 3PY -0.46477 -0.67750 0.38950 -0.65681 -1.45538 9 3PZ -0.20062 -0.43419 0.12050 0.54772 -0.44696 10 4XX -0.00896 0.03868 0.02800 0.03423 0.03754 11 4YY -0.02010 0.02966 0.00336 -0.01753 -0.00052 12 4ZZ -0.01745 -0.04172 0.00057 -0.00089 -0.02341 13 4XY -0.04226 -0.03056 0.00670 -0.06925 0.03699 14 4XZ -0.01759 -0.05823 0.00696 -0.10665 -0.03555 15 4YZ -0.03154 -0.00916 0.01857 0.01198 0.06733 16 2 C 1S 0.01831 0.01635 -0.00048 -0.00702 -0.00416 17 2S 0.45536 0.49624 -0.00689 -0.28477 -0.26515 18 2PX -0.05670 -0.04797 0.01404 -0.07107 -0.01969 19 2PY -0.04112 0.00117 0.01186 -0.01787 -0.05268 20 2PZ 0.00338 0.09597 -0.02640 0.16027 -0.00466 21 3S -1.32966 -1.66623 0.07151 1.16407 0.55308 22 3PX 0.31571 0.65202 -0.02825 1.27743 -0.41524 23 3PY 0.36907 0.10997 -0.09076 -0.17284 0.44375 24 3PZ -0.17127 -0.67729 0.05805 -1.55095 0.34003 25 4XX 0.02111 0.01909 0.00445 -0.00390 -0.06282 26 4YY 0.05641 0.01951 -0.00326 -0.00757 -0.03758 27 4ZZ -0.02012 0.02077 -0.00485 -0.03372 0.08008 28 4XY -0.02959 0.00361 -0.01479 0.08071 0.05385 29 4XZ -0.01629 -0.02171 0.01093 0.00985 -0.03999 30 4YZ 0.00089 -0.00781 -0.03662 -0.06889 0.07664 31 3 C 1S 0.01831 -0.01635 -0.00048 0.00702 -0.00416 32 2S 0.45534 -0.49624 -0.00690 0.28476 -0.26515 33 2PX -0.05670 0.04797 0.01404 0.07107 -0.01969 34 2PY 0.04112 0.00117 -0.01186 -0.01786 0.05268 35 2PZ 0.00338 -0.09597 -0.02640 -0.16027 -0.00465 36 3S -1.32958 1.66624 0.07151 -1.16408 0.55308 37 3PX 0.31568 -0.65203 -0.02826 -1.27745 -0.41519 38 3PY -0.36907 0.10997 0.09077 -0.17287 -0.44372 39 3PZ -0.17126 0.67729 0.05806 1.55097 0.33996 40 4XX 0.02111 -0.01909 0.00445 0.00390 -0.06282 41 4YY 0.05641 -0.01951 -0.00326 0.00757 -0.03758 42 4ZZ -0.02013 -0.02077 -0.00485 0.03372 0.08008 43 4XY 0.02959 0.00360 0.01479 0.08071 -0.05386 44 4XZ -0.01629 0.02171 0.01093 -0.00985 -0.03999 45 4YZ -0.00089 -0.00781 0.03662 -0.06889 -0.07663 46 4 C 1S -0.00460 -0.01313 0.00234 0.00365 0.01784 47 2S -0.44547 -0.16938 0.18740 -0.18491 0.42708 48 2PX -0.03090 0.13506 -0.01403 -0.17816 -0.06632 49 2PY -0.16336 0.08588 0.07052 0.23429 -0.08467 50 2PZ 0.01044 -0.02698 -0.00135 0.16898 -0.05080 51 3S 1.47736 -0.38349 -0.23876 -0.98411 -1.98092 52 3PX 0.38141 -0.80880 0.00816 0.30609 0.06272 53 3PY 0.46479 -0.67749 -0.38954 -0.65674 1.45540 54 3PZ -0.20059 0.43419 0.12049 -0.54775 -0.44696 55 4XX -0.00897 -0.03869 0.02800 -0.03423 0.03754 56 4YY -0.02010 -0.02966 0.00336 0.01752 -0.00052 57 4ZZ -0.01745 0.04172 0.00057 0.00089 -0.02341 58 4XY 0.04226 -0.03056 -0.00670 -0.06925 -0.03699 59 4XZ -0.01759 0.05823 0.00696 0.10665 -0.03556 60 4YZ 0.03154 -0.00916 -0.01857 0.01198 -0.06733 61 5 H 1S 0.09514 -0.10802 -0.07316 -0.23473 -0.10360 62 2S -0.65012 -0.30551 0.35483 -0.41755 -0.28119 63 6 H 1S 0.04847 -0.04738 -0.00420 -0.59091 0.18077 64 2S 0.16542 -0.04276 0.02366 -0.78238 0.08821 65 7 H 1S 0.04847 0.04738 -0.00420 0.59092 0.18075 66 2S 0.16542 0.04276 0.02366 0.78239 0.08818 67 8 H 1S 0.09515 0.10802 -0.07315 0.23472 -0.10360 68 2S -0.65015 0.30551 0.35486 0.41754 -0.28120 69 9 C 1S -0.00570 0.00000 0.01514 0.00000 -0.05524 70 2S 0.28616 0.00000 0.24846 -0.00002 -0.98340 71 2PX -0.07682 0.00000 -0.01345 0.00000 0.07349 72 2PY 0.00000 0.00750 0.00000 0.01801 0.00000 73 2PZ 0.20430 0.00000 -0.07803 0.00000 -0.14073 74 3S -0.80450 0.00002 -0.70316 0.00010 4.47888 75 3PX 0.39824 0.00000 -0.20715 0.00000 0.27172 76 3PY -0.00001 -0.56217 0.00000 0.55094 0.00000 77 3PZ -0.48604 -0.00001 0.28440 -0.00002 -0.47774 78 4XX -0.05909 0.00000 0.01785 0.00000 -0.08474 79 4YY 0.04999 0.00000 -0.00168 0.00000 0.02879 80 4ZZ 0.03529 0.00000 0.01921 0.00000 -0.04478 81 4XY 0.00000 0.02955 0.00000 0.08802 0.00000 82 4XZ 0.07762 0.00000 -0.01581 0.00000 -0.05961 83 4YZ 0.00000 0.04807 0.00000 0.07102 0.00000 84 10 H 1S -0.32531 0.00000 0.09597 -0.00001 -0.18900 85 2S 1.15556 0.00000 -0.21393 -0.00001 -0.48530 86 11 H 1S -0.13185 0.00000 0.10735 0.00000 -0.22995 87 2S 0.22604 0.00000 0.00531 0.00000 -0.40105 88 12 C 1S 0.00527 0.00746 -0.00129 0.00283 0.00291 89 2S -0.01208 -0.03508 0.05159 -0.12433 0.01441 90 2PX -0.14316 0.11202 -0.06542 -0.16244 0.12794 91 2PY 0.04811 -0.09649 -0.05236 0.14401 0.20186 92 2PZ -0.06328 0.05490 0.04358 -0.06160 -0.09634 93 3S -0.40267 -0.85033 -0.92563 0.18176 -1.85094 94 3PX 0.21242 -0.55736 0.37934 0.69577 0.20553 95 3PY -0.39255 2.54063 -0.25491 -1.08159 -1.37078 96 3PZ 0.22430 -0.77030 -0.22422 -0.20094 0.18524 97 4XX -0.00575 0.08731 -0.02609 0.03667 -0.07208 98 4YY -0.01367 -0.03090 0.04041 0.00292 -0.03853 99 4ZZ 0.01655 -0.06152 -0.02434 -0.04189 0.09948 100 4XY 0.00340 -0.03219 0.03104 0.00935 -0.06011 101 4XZ 0.01975 0.04621 0.01141 0.05101 -0.05218 102 4YZ 0.01736 0.02530 -0.00924 0.00525 -0.14348 103 13 C 1S 0.00527 -0.00746 -0.00129 -0.00283 0.00291 104 2S -0.01209 0.03507 0.05160 0.12433 0.01442 105 2PX -0.14317 -0.11202 -0.06542 0.16245 0.12794 106 2PY -0.04810 -0.09648 0.05236 0.14400 -0.20186 107 2PZ -0.06328 -0.05490 0.04358 0.06159 -0.09634 108 3S -0.40259 0.85036 -0.92561 -0.18182 -1.85099 109 3PX 0.21240 0.55738 0.37934 -0.69577 0.20556 110 3PY 0.39259 2.54060 0.25494 -1.08153 1.37077 111 3PZ 0.22433 0.77030 -0.22422 0.20095 0.18523 112 4XX -0.00575 -0.08731 -0.02609 -0.03667 -0.07207 113 4YY -0.01367 0.03090 0.04041 -0.00292 -0.03853 114 4ZZ 0.01656 0.06152 -0.02434 0.04189 0.09948 115 4XY -0.00340 -0.03219 -0.03104 0.00935 0.06011 116 4XZ 0.01975 -0.04621 0.01141 -0.05101 -0.05218 117 4YZ -0.01736 0.02530 0.00924 0.00526 0.14348 118 14 C 1S -0.00002 -0.01050 0.00035 0.00878 0.00189 119 2S -0.03594 -0.36377 0.02468 0.28791 0.03102 120 2PX 0.05357 -0.13064 -0.25312 0.08031 -0.16097 121 2PY 0.04650 -0.13048 0.00381 0.05971 0.00279 122 2PZ 0.12520 0.12646 0.12557 0.04734 0.20529 123 3S 0.63321 -0.16608 -0.35396 -0.74914 -0.14172 124 3PX -0.12278 1.52407 1.64440 -0.84506 1.96122 125 3PY -0.40248 -0.84732 -0.11508 0.16377 -0.12544 126 3PZ -0.56351 -1.68644 -0.99909 0.33701 -1.70978 127 4XX 0.04796 0.03498 -0.00665 0.05050 -0.01089 128 4YY -0.01083 -0.05596 -0.00008 0.01808 -0.01354 129 4ZZ -0.02316 -0.03947 0.00352 -0.04374 0.02080 130 4XY -0.01612 0.02979 -0.07823 0.00238 0.01170 131 4XZ 0.00803 0.08646 -0.00291 -0.02249 -0.03083 132 4YZ 0.02964 0.01465 0.05148 0.01070 0.05483 133 15 C 1S 0.01187 -0.00117 -0.00938 -0.00192 -0.01580 134 2S 0.31879 0.18876 -0.28606 -0.02520 -0.11300 135 2PX 0.05708 -0.08523 -0.08039 0.05241 0.13477 136 2PY -0.07353 0.09665 -0.08457 0.01424 0.09791 137 2PZ 0.03381 0.04463 0.02546 -0.05102 -0.11648 138 3S -0.53306 -0.14920 1.41379 -0.07585 2.18235 139 3PX 0.05438 1.94706 0.45289 -0.65439 0.06800 140 3PY 0.29607 -1.36216 -0.26200 0.12726 -1.23845 141 3PZ -0.05549 -1.24251 -0.35340 0.67991 -0.01246 142 4XX -0.01507 0.00834 0.04077 -0.03389 -0.00985 143 4YY 0.02354 -0.01001 -0.05250 0.00102 0.01551 144 4ZZ 0.02901 0.03618 0.00501 0.02635 -0.01907 145 4XY 0.03199 0.03629 -0.02163 -0.01932 -0.06827 146 4XZ -0.03684 -0.03634 -0.02135 -0.00150 0.01332 147 4YZ 0.04454 -0.01949 0.02208 0.01893 0.04138 148 16 C 1S 0.01187 0.00117 -0.00938 0.00192 -0.01580 149 2S 0.31874 -0.18876 -0.28607 0.02520 -0.11300 150 2PX 0.05708 0.08523 -0.08039 -0.05240 0.13477 151 2PY 0.07354 0.09665 0.08457 0.01423 -0.09791 152 2PZ 0.03381 -0.04463 0.02546 0.05101 -0.11649 153 3S -0.53299 0.14921 1.41378 0.07590 2.18237 154 3PX 0.05437 -1.94708 0.45287 0.65438 0.06799 155 3PY -0.29605 -1.36213 0.26198 0.12728 1.23845 156 3PZ -0.05550 1.24252 -0.35339 -0.67991 -0.01244 157 4XX -0.01507 -0.00834 0.04078 0.03389 -0.00985 158 4YY 0.02354 0.01001 -0.05250 -0.00102 0.01551 159 4ZZ 0.02901 -0.03618 0.00501 -0.02635 -0.01907 160 4XY -0.03199 0.03629 0.02163 -0.01932 0.06827 161 4XZ -0.03683 0.03634 -0.02135 0.00150 0.01332 162 4YZ -0.04454 -0.01949 -0.02208 0.01893 -0.04138 163 17 C 1S -0.00002 0.01050 0.00035 -0.00878 0.00189 164 2S -0.03594 0.36378 0.02468 -0.28791 0.03104 165 2PX 0.05357 0.13064 -0.25312 -0.08031 -0.16097 166 2PY -0.04649 -0.13048 -0.00381 0.05971 -0.00280 167 2PZ 0.12520 -0.12646 0.12556 -0.04733 0.20529 168 3S 0.63321 0.16604 -0.35396 0.74916 -0.14175 169 3PX -0.12279 -1.52410 1.64439 0.84511 1.96121 170 3PY 0.40242 -0.84732 0.11505 0.16377 0.12544 171 3PZ -0.56351 1.68645 -0.99907 -0.33707 -1.70978 172 4XX 0.04795 -0.03498 -0.00665 -0.05050 -0.01089 173 4YY -0.01083 0.05596 -0.00009 -0.01808 -0.01353 174 4ZZ -0.02316 0.03946 0.00352 0.04374 0.02080 175 4XY 0.01611 0.02979 0.07823 0.00238 -0.01170 176 4XZ 0.00804 -0.08646 -0.00291 0.02249 -0.03083 177 4YZ -0.02963 0.01465 -0.05148 0.01070 -0.05483 178 18 H 1S 0.05160 -0.38642 -0.05300 -0.14201 0.23729 179 2S 0.21765 -0.38477 -0.02377 0.22621 0.24140 180 19 H 1S 0.05162 0.38642 -0.05300 0.14202 0.23728 181 2S 0.21766 0.38476 -0.02377 -0.22620 0.24141 182 20 H 1S 0.09727 0.33568 0.04821 -0.17938 -0.22395 183 2S 0.18799 0.49651 -0.00389 -0.28493 -0.40011 184 21 H 1S 0.09725 -0.33568 0.04821 0.17937 -0.22396 185 2S 0.18798 -0.49652 -0.00389 0.28492 -0.40013 186 22 O 1S 0.00792 -0.01491 -0.00180 0.00681 -0.00031 187 2S 0.08032 -0.06037 -0.05469 0.07360 -0.03294 188 2PX -0.14471 0.26489 0.48046 0.05249 -0.06226 189 2PY -0.02276 -0.11826 0.07642 0.02690 0.01613 190 2PZ -0.44155 0.07597 -0.23110 0.01933 -0.09716 191 3S -0.51430 0.62448 0.15242 -0.37158 0.05107 192 3PX 0.18400 -0.18746 -0.97654 -0.19652 -0.21498 193 3PY 0.13244 0.03268 -0.15678 0.03251 -0.04208 194 3PZ 0.67879 -0.32410 0.51537 -0.00866 0.43251 195 4XX 0.03819 -0.04185 0.00283 0.01821 -0.00475 196 4YY 0.01724 -0.03781 -0.01832 0.01731 -0.00588 197 4ZZ 0.02724 -0.04125 -0.02167 0.04766 -0.00913 198 4XY -0.00075 -0.04503 -0.07099 -0.00340 0.00102 199 4XZ 0.02056 -0.04139 -0.00390 0.02639 -0.01418 200 4YZ 0.03662 -0.01526 0.04187 0.00355 0.02986 201 23 O 1S 0.00792 0.01491 -0.00180 -0.00681 -0.00031 202 2S 0.08032 0.06037 -0.05469 -0.07359 -0.03293 203 2PX -0.14467 -0.26489 0.48046 -0.05249 -0.06226 204 2PY 0.02274 -0.11826 -0.07643 0.02690 -0.01613 205 2PZ -0.44155 -0.07597 -0.23110 -0.01934 -0.09716 206 3S -0.51433 -0.62446 0.15242 0.37157 0.05106 207 3PX 0.18395 0.18747 -0.97653 0.19653 -0.21499 208 3PY -0.13241 0.03268 0.15679 0.03251 0.04208 209 3PZ 0.67880 0.32409 0.51537 0.00868 0.43251 210 4XX 0.03819 0.04185 0.00283 -0.01821 -0.00475 211 4YY 0.01724 0.03781 -0.01833 -0.01731 -0.00588 212 4ZZ 0.02724 0.04125 -0.02167 -0.04766 -0.00913 213 4XY 0.00075 -0.04503 0.07099 -0.00340 -0.00102 214 4XZ 0.02056 0.04139 -0.00390 -0.02639 -0.01418 215 4YZ -0.03663 -0.01526 -0.04187 0.00355 -0.02986 126 127 128 129 130 V V V V V Eigenvalues -- 1.20942 1.22201 1.22416 1.23077 1.27285 1 1 C 1S -0.00476 -0.00004 -0.01596 0.01535 0.01460 2 2S -0.26392 0.10882 -0.50738 0.30676 0.08827 3 2PX -0.01078 -0.02023 0.07155 -0.04426 0.09092 4 2PY 0.13615 0.04642 -0.00350 -0.13304 0.05465 5 2PZ 0.08013 -0.01618 0.03503 -0.02477 -0.03005 6 3S 0.85821 -0.35619 1.91354 -0.56010 -1.00246 7 3PX -0.06223 0.27799 -0.25034 0.62381 -0.09932 8 3PY -1.43544 -0.42861 0.97511 1.09101 -0.52445 9 3PZ -0.10923 0.02348 -0.23661 -0.31566 0.05211 10 4XX 0.05422 0.01145 -0.04967 0.00986 -0.13696 11 4YY -0.08007 -0.03296 -0.04013 0.08112 -0.06681 12 4ZZ 0.00200 0.01906 0.05315 -0.04471 0.19078 13 4XY 0.00329 -0.00553 0.02669 -0.01240 -0.02114 14 4XZ -0.02616 -0.02749 0.00152 0.00495 -0.05922 15 4YZ 0.02755 0.01474 -0.03185 -0.04358 -0.04202 16 2 C 1S 0.02336 -0.00100 0.02409 0.00925 -0.00485 17 2S 0.61333 -0.02115 0.48741 0.03206 -0.14304 18 2PX -0.06108 0.01332 -0.06996 0.05202 -0.00782 19 2PY 0.04263 -0.07986 0.16474 -0.02057 0.00369 20 2PZ -0.01558 -0.10571 0.10085 0.00759 -0.00598 21 3S -1.05801 -0.27784 -0.73699 -1.37625 0.50127 22 3PX -0.14697 -0.22704 0.85294 0.43093 -0.23894 23 3PY 0.67385 0.48814 -0.75521 -0.88112 0.04974 24 3PZ 0.46928 0.30885 -0.65004 -0.51420 0.15877 25 4XX 0.02818 0.01874 0.05105 0.00158 0.10727 26 4YY 0.02713 -0.03844 0.11757 -0.00785 -0.03390 27 4ZZ 0.02453 0.00341 -0.13069 0.00197 -0.08788 28 4XY -0.02190 0.00380 0.01405 -0.00178 0.15083 29 4XZ -0.06457 -0.00557 -0.01143 0.02583 0.03745 30 4YZ 0.01014 0.01982 -0.02240 -0.00963 0.14803 31 3 C 1S -0.02336 -0.00100 0.02409 -0.00924 -0.00485 32 2S -0.61331 -0.02110 0.48744 -0.03199 -0.14302 33 2PX 0.06108 0.01332 -0.06996 -0.05203 -0.00783 34 2PY 0.04263 0.07986 -0.16474 -0.02059 -0.00369 35 2PZ 0.01558 -0.10571 0.10085 -0.00759 -0.00598 36 3S 1.05797 -0.27807 -0.73722 1.37612 0.50124 37 3PX 0.14699 -0.22700 0.85299 -0.43083 -0.23894 38 3PY 0.67384 -0.48808 0.75529 -0.88105 -0.04975 39 3PZ -0.46929 0.30882 -0.65009 0.51414 0.15878 40 4XX -0.02818 0.01874 0.05105 -0.00157 0.10727 41 4YY -0.02713 -0.03844 0.11757 0.00786 -0.03390 42 4ZZ -0.02453 0.00341 -0.13069 -0.00199 -0.08788 43 4XY -0.02191 -0.00380 -0.01405 -0.00178 -0.15083 44 4XZ 0.06456 -0.00557 -0.01143 -0.02583 0.03745 45 4YZ 0.01013 -0.01982 0.02240 -0.00963 -0.14803 46 4 C 1S 0.00476 -0.00004 -0.01596 -0.01536 0.01460 47 2S 0.26390 0.10883 -0.50735 -0.30681 0.08827 48 2PX 0.01079 -0.02023 0.07155 0.04426 0.09092 49 2PY 0.13614 -0.04642 0.00352 -0.13305 -0.05465 50 2PZ -0.08014 -0.01618 0.03503 0.02477 -0.03005 51 3S -0.85816 -0.35619 1.91349 0.56032 -1.00244 52 3PX 0.06224 0.27805 -0.25025 -0.62381 -0.09932 53 3PY -1.43544 0.42860 -0.97520 1.09091 0.52449 54 3PZ 0.10923 0.02344 -0.23666 0.31563 0.05212 55 4XX -0.05422 0.01146 -0.04966 -0.00986 -0.13696 56 4YY 0.08007 -0.03296 -0.04013 -0.08113 -0.06681 57 4ZZ -0.00200 0.01905 0.05314 0.04473 0.19079 58 4XY 0.00329 0.00553 -0.02669 -0.01240 0.02114 59 4XZ 0.02616 -0.02749 0.00152 -0.00496 -0.05922 60 4YZ 0.02755 -0.01474 0.03186 -0.04358 0.04202 61 5 H 1S -0.44278 -0.05915 0.14101 0.31327 0.11989 62 2S -0.64162 -0.05191 0.01944 0.53962 -0.19377 63 6 H 1S 0.32399 0.15528 -0.24845 -0.16877 0.04834 64 2S 0.44299 0.29232 -0.43186 -0.25731 0.03360 65 7 H 1S -0.32399 0.15528 -0.24845 0.16875 0.04834 66 2S -0.44299 0.29232 -0.43188 0.25727 0.03360 67 8 H 1S 0.44279 -0.05915 0.14104 -0.31326 0.11988 68 2S 0.64161 -0.05190 0.01949 -0.53962 -0.19379 69 9 C 1S 0.00000 0.00208 0.00228 0.00000 -0.02966 70 2S 0.00000 0.08894 -0.02147 0.00001 -0.58589 71 2PX 0.00000 0.12380 -0.29791 -0.00002 0.08983 72 2PY -0.13644 0.00000 0.00000 0.11018 0.00000 73 2PZ 0.00000 0.05132 -0.05006 0.00000 -0.00007 74 3S 0.00000 0.24423 -1.29472 -0.00009 1.94362 75 3PX 0.00000 -0.72612 1.35718 0.00006 -0.12917 76 3PY 0.17273 0.00002 0.00004 -0.58503 -0.00001 77 3PZ 0.00000 -0.61189 0.91273 0.00003 -0.49871 78 4XX 0.00000 -0.02680 0.10626 0.00001 -0.03907 79 4YY 0.00000 0.06034 -0.01924 0.00000 0.12613 80 4ZZ 0.00000 -0.02007 -0.12523 -0.00001 -0.15250 81 4XY 0.02771 0.00000 0.00000 0.00205 0.00000 82 4XZ 0.00000 0.06372 -0.03212 0.00000 0.09187 83 4YZ 0.01307 0.00000 0.00000 -0.00470 0.00000 84 10 H 1S 0.00000 -0.22944 0.40847 0.00002 -0.07548 85 2S 0.00000 0.03371 0.34241 0.00003 -0.32582 86 11 H 1S 0.00000 0.22320 -0.24189 -0.00001 -0.01780 87 2S 0.00000 0.32026 -0.50040 -0.00002 -0.05458 88 12 C 1S -0.00259 0.00905 0.02267 0.00155 -0.02205 89 2S 0.12622 0.34231 0.03995 -0.00076 -0.23586 90 2PX 0.05400 -0.00251 -0.06722 0.08281 -0.08477 91 2PY -0.13638 -0.16019 0.10886 0.06636 0.01791 92 2PZ -0.03115 0.06066 -0.14974 0.09441 0.11737 93 3S -0.90265 -0.69419 -1.67487 0.98755 2.19787 94 3PX -1.05940 0.56702 0.21289 -1.10319 -0.47023 95 3PY 3.02007 0.48315 -1.04320 1.60189 0.70863 96 3PZ 0.50238 -0.42740 0.10204 -0.02775 0.10116 97 4XX 0.01940 0.11316 0.10756 0.07261 0.01460 98 4YY -0.01022 0.06700 -0.05492 -0.00733 0.00568 99 4ZZ -0.00276 -0.17261 -0.00806 -0.04657 -0.04603 100 4XY -0.01076 -0.04641 -0.00563 -0.01908 -0.15329 101 4XZ 0.01141 0.05055 0.05262 -0.00592 0.02041 102 4YZ -0.03875 -0.09364 -0.14686 0.03908 -0.08352 103 13 C 1S 0.00259 0.00905 0.02267 -0.00155 -0.02205 104 2S -0.12620 0.34232 0.03995 0.00080 -0.23586 105 2PX -0.05401 -0.00250 -0.06720 -0.08281 -0.08477 106 2PY -0.13637 0.16019 -0.10886 0.06636 -0.01791 107 2PZ 0.03115 0.06066 -0.14973 -0.09443 0.11737 108 3S 0.90255 -0.69414 -1.67473 -0.98788 2.19787 109 3PX 1.05947 0.56683 0.21268 1.10331 -0.47026 110 3PY 3.02007 -0.48352 1.04285 1.60198 -0.70865 111 3PZ -0.50241 -0.42738 0.10208 0.02772 0.10118 112 4XX -0.01939 0.11317 0.10757 -0.07258 0.01460 113 4YY 0.01022 0.06700 -0.05492 0.00733 0.00568 114 4ZZ 0.00275 -0.17262 -0.00806 0.04655 -0.04603 115 4XY -0.01075 0.04641 0.00563 -0.01908 0.15329 116 4XZ -0.01141 0.05055 0.05262 0.00593 0.02041 117 4YZ -0.03873 0.09364 0.14686 0.03911 0.08352 118 14 C 1S 0.00918 -0.01385 -0.00477 -0.00149 0.01503 119 2S 0.33017 -0.46475 -0.05179 -0.10126 0.42545 120 2PX -0.15414 0.03266 -0.13460 -0.38692 0.11637 121 2PY 0.11930 -0.10240 -0.01758 0.03040 0.12915 122 2PZ 0.20320 0.02534 0.04204 0.20698 -0.05637 123 3S 0.30911 1.92196 0.42033 -0.21122 -1.94336 124 3PX 2.13624 -0.18730 1.38887 3.02246 -1.36603 125 3PY -0.21408 1.29090 -0.20112 -0.11991 -0.89090 126 3PZ -1.75690 0.09787 -0.92274 -2.14268 0.92800 127 4XX 0.06024 -0.23363 -0.14660 0.01599 -0.04570 128 4YY 0.01577 -0.00358 0.01970 -0.03729 -0.02681 129 4ZZ -0.04574 0.19575 0.13960 0.00601 0.09667 130 4XY 0.00211 0.02790 -0.00958 -0.00934 0.01195 131 4XZ -0.03409 -0.07475 -0.00905 0.02709 -0.10776 132 4YZ -0.02357 0.00510 -0.03034 0.09414 -0.01194 133 15 C 1S -0.01895 0.01418 -0.01097 -0.02988 -0.00150 134 2S -0.28158 0.28257 -0.08355 -0.76910 -0.23778 135 2PX 0.09059 0.02855 0.03173 0.01590 -0.08256 136 2PY 0.02274 0.11021 0.02839 -0.12477 -0.18339 137 2PZ -0.08964 0.04249 -0.02551 -0.01214 0.06829 138 3S 1.26391 -1.02292 1.21511 3.64494 -0.57816 139 3PX -0.25471 -0.53058 0.14044 0.52716 0.44598 140 3PY -1.76221 -0.14707 -0.62885 -0.93981 1.09480 141 3PZ 0.28720 0.36570 -0.12205 -0.53133 -0.31714 142 4XX -0.05263 0.08170 0.04677 -0.01368 0.08492 143 4YY -0.01058 0.04224 -0.00900 -0.00075 -0.03828 144 4ZZ 0.03510 -0.12859 -0.03419 -0.04130 -0.05088 145 4XY -0.05770 -0.12986 -0.10563 -0.04004 0.00743 146 4XZ 0.02505 0.03884 0.04879 0.04088 -0.02892 147 4YZ 0.04534 -0.16927 -0.10257 0.04290 -0.04141 148 16 C 1S 0.01895 0.01417 -0.01097 0.02988 -0.00150 149 2S 0.28159 0.28248 -0.08368 0.76913 -0.23778 150 2PX -0.09059 0.02855 0.03174 -0.01589 -0.08256 151 2PY 0.02274 -0.11020 -0.02838 -0.12479 0.18339 152 2PZ 0.08964 0.04249 -0.02551 0.01214 0.06829 153 3S -1.26392 -1.02246 1.21568 -3.64487 -0.57819 154 3PX 0.25468 -0.53054 0.14051 -0.52722 0.44596 155 3PY -1.76219 0.14730 0.62906 -0.93967 -1.09479 156 3PZ -0.28719 0.36566 -0.12212 0.53136 -0.31713 157 4XX 0.05264 0.08170 0.04677 0.01370 0.08492 158 4YY 0.01058 0.04224 -0.00901 0.00075 -0.03828 159 4ZZ -0.03512 -0.12859 -0.03419 0.04128 -0.05088 160 4XY -0.05769 0.12987 0.10564 -0.04001 -0.00743 161 4XZ -0.02504 0.03885 0.04880 -0.04087 -0.02892 162 4YZ 0.04536 0.16926 0.10257 0.04294 0.04141 163 17 C 1S -0.00918 -0.01385 -0.00477 0.00148 0.01503 164 2S -0.33019 -0.46474 -0.05180 0.10119 0.42545 165 2PX 0.15414 0.03261 -0.13467 0.38690 0.11636 166 2PY 0.11930 0.10239 0.01757 0.03042 -0.12915 167 2PZ -0.20319 0.02538 0.04208 -0.20697 -0.05637 168 3S -0.30898 1.92196 0.42034 0.21149 -1.94333 169 3PX -2.13621 -0.18685 1.38941 -3.02226 -1.36601 170 3PY -0.21410 -1.29087 0.20111 -0.12003 0.89090 171 3PZ 1.75687 0.09752 -0.92312 2.14254 0.92799 172 4XX -0.06026 -0.23362 -0.14659 -0.01603 -0.04570 173 4YY -0.01577 -0.00358 0.01970 0.03729 -0.02680 174 4ZZ 0.04576 0.19575 0.13960 -0.00597 0.09667 175 4XY 0.00211 -0.02789 0.00959 -0.00933 -0.01195 176 4XZ 0.03409 -0.07475 -0.00904 -0.02710 -0.10776 177 4YZ -0.02357 -0.00511 0.03033 0.09414 0.01195 178 18 H 1S -0.02672 -0.18645 0.20190 -0.13584 -0.07965 179 2S -0.22514 -0.09018 0.29161 -0.09334 -0.30898 180 19 H 1S 0.02672 -0.18646 0.20188 0.13585 -0.07964 181 2S 0.22515 -0.09021 0.29159 0.09337 -0.30898 182 20 H 1S -0.41949 -0.05976 -0.13063 -0.24416 0.27718 183 2S -0.58809 -0.12079 -0.10424 -0.34637 0.35811 184 21 H 1S 0.41949 -0.05982 -0.13068 0.24413 0.27718 185 2S 0.58809 -0.12087 -0.10431 0.34633 0.35811 186 22 O 1S 0.00097 -0.00472 0.00749 0.00443 -0.00780 187 2S -0.05427 0.15093 0.05927 0.07750 -0.28651 188 2PX 0.02721 0.02529 0.01273 -0.14178 0.00326 189 2PY 0.04712 -0.18953 0.03184 0.01856 0.14507 190 2PZ -0.01477 -0.05476 0.04391 0.14673 -0.04090 191 3S 0.14697 0.03059 -0.31566 -0.22449 0.48511 192 3PX 0.22785 0.01733 -0.25412 0.70345 0.20719 193 3PY -0.07919 0.28307 0.04830 0.08956 -0.36900 194 3PZ -0.20319 0.08973 0.06050 -0.61960 -0.09817 195 4XX -0.01109 -0.03484 -0.01448 -0.00905 -0.07527 196 4YY -0.01763 0.03556 0.01744 0.02557 -0.09258 197 4ZZ 0.01201 0.07319 0.06142 0.03758 -0.03445 198 4XY -0.00880 -0.00405 -0.02347 0.04241 0.00652 199 4XZ -0.00271 -0.02255 0.02378 0.01596 -0.03625 200 4YZ 0.02051 0.01935 -0.00313 -0.08831 -0.01785 201 23 O 1S -0.00097 -0.00472 0.00749 -0.00443 -0.00780 202 2S 0.05428 0.15093 0.05928 -0.07748 -0.28651 203 2PX -0.02721 0.02527 0.01271 0.14178 0.00326 204 2PY 0.04713 0.18952 -0.03185 0.01857 -0.14507 205 2PZ 0.01476 -0.05475 0.04393 -0.14673 -0.04090 206 3S -0.14700 0.03058 -0.31569 0.22449 0.48511 207 3PX -0.22785 0.01742 -0.25400 -0.70349 0.20719 208 3PY -0.07921 -0.28307 -0.04830 0.08954 0.36900 209 3PZ 0.20320 0.08965 0.06040 0.61962 -0.09817 210 4XX 0.01108 -0.03484 -0.01448 0.00904 -0.07527 211 4YY 0.01763 0.03556 0.01744 -0.02557 -0.09258 212 4ZZ -0.01200 0.07320 0.06143 -0.03757 -0.03445 213 4XY -0.00880 0.00405 0.02347 0.04242 -0.00652 214 4XZ 0.00270 -0.02255 0.02378 -0.01596 -0.03625 215 4YZ 0.02051 -0.01934 0.00314 -0.08831 0.01785 131 132 133 134 135 V V V V V Eigenvalues -- 1.32112 1.32562 1.39183 1.40226 1.40936 1 1 C 1S 0.00150 0.03620 0.03039 0.00010 0.01108 2 2S 0.45257 0.54956 0.26884 0.15998 0.00862 3 2PX -0.12980 -0.04697 0.01054 -0.14789 0.03584 4 2PY 0.08606 0.09216 0.10821 0.01385 -0.06989 5 2PZ -0.14522 -0.05047 -0.06283 0.00922 -0.01153 6 3S -0.53215 -1.18280 -0.97453 -2.30361 -0.35981 7 3PX -0.29679 -0.05487 -0.31238 -0.71962 -0.08278 8 3PY -0.75537 0.18441 -0.31006 -1.20630 0.21314 9 3PZ 0.56906 0.44674 0.14695 0.22218 -0.05624 10 4XX -0.12224 -0.03914 0.24335 0.03095 0.05812 11 4YY 0.00174 -0.02973 -0.03900 0.02342 0.01831 12 4ZZ 0.11139 0.13470 -0.17050 -0.09436 -0.06323 13 4XY 0.09767 -0.02662 0.06401 0.15923 0.06721 14 4XZ -0.08911 -0.02043 0.04028 0.10412 0.04677 15 4YZ 0.05642 -0.01613 0.10353 0.25319 0.02019 16 2 C 1S 0.00817 -0.00151 -0.00275 -0.05517 0.00419 17 2S 0.17257 0.06978 0.06087 -0.96625 0.09315 18 2PX -0.03179 -0.07543 -0.13252 0.03661 -0.03802 19 2PY 0.01038 0.07156 0.04835 0.02567 0.03571 20 2PZ -0.00503 0.02789 0.01851 -0.05388 0.02655 21 3S 0.24967 0.49752 0.50267 5.21589 0.10901 22 3PX -0.10928 -0.12061 -0.06439 -1.79229 0.16553 23 3PY -0.09343 -0.28330 -0.13835 1.86138 -0.28555 24 3PZ 0.20731 0.09066 0.18344 1.41349 -0.12980 25 4XX 0.07910 0.08839 -0.23185 -0.19580 -0.07674 26 4YY 0.00373 -0.01442 0.00371 0.00626 0.02014 27 4ZZ -0.07317 -0.08878 0.19759 0.16997 0.07680 28 4XY 0.01199 0.07110 -0.06634 0.00810 -0.02270 29 4XZ -0.04355 0.05272 -0.07745 0.01726 -0.03868 30 4YZ 0.00950 -0.02841 -0.24886 0.05936 -0.03627 31 3 C 1S -0.00817 -0.00151 -0.00275 0.05517 0.00420 32 2S -0.17257 0.06979 0.06079 0.96625 0.09321 33 2PX 0.03179 -0.07543 -0.13251 -0.03662 -0.03803 34 2PY 0.01037 -0.07156 -0.04836 0.02567 -0.03571 35 2PZ 0.00504 0.02789 0.01850 0.05388 0.02655 36 3S -0.24965 0.49752 0.50314 -5.21588 0.10869 37 3PX 0.10928 -0.12062 -0.06456 1.79227 0.16564 38 3PY -0.09342 0.28332 0.13818 1.86135 0.28566 39 3PZ -0.20730 0.09067 0.18358 -1.41348 -0.12989 40 4XX -0.07910 0.08840 -0.23186 0.19579 -0.07672 41 4YY -0.00373 -0.01442 0.00371 -0.00626 0.02014 42 4ZZ 0.07316 -0.08878 0.19760 -0.16996 0.07678 43 4XY 0.01199 -0.07110 0.06634 0.00811 0.02270 44 4XZ 0.04355 0.05272 -0.07744 -0.01726 -0.03868 45 4YZ 0.00950 0.02841 0.24885 0.05938 0.03627 46 4 C 1S -0.00150 0.03620 0.03039 -0.00009 0.01108 47 2S -0.45255 0.54959 0.26886 -0.15997 0.00860 48 2PX 0.12980 -0.04698 0.01053 0.14789 0.03585 49 2PY 0.08606 -0.09216 -0.10821 0.01383 0.06989 50 2PZ 0.14522 -0.05048 -0.06283 -0.00922 -0.01153 51 3S 0.53212 -1.18285 -0.97475 2.30361 -0.35965 52 3PX 0.29678 -0.05487 -0.31244 0.71959 -0.08274 53 3PY -0.75538 -0.18439 0.31017 -1.20625 -0.21321 54 3PZ -0.56904 0.44676 0.14697 -0.22216 -0.05626 55 4XX 0.12224 -0.03915 0.24335 -0.03093 0.05812 56 4YY -0.00174 -0.02973 -0.03900 -0.02342 0.01830 57 4ZZ -0.11138 0.13470 -0.17050 0.09435 -0.06322 58 4XY 0.09768 0.02662 -0.06402 0.15923 -0.06720 59 4XZ 0.08911 -0.02043 0.04029 -0.10412 0.04676 60 4YZ 0.05642 0.01613 -0.10355 0.25319 -0.02018 61 5 H 1S -0.28199 0.22460 0.14703 -0.09666 0.05890 62 2S -0.23663 0.19846 -0.08226 -0.24055 0.15311 63 6 H 1S -0.01060 0.03521 0.07184 0.21312 -0.10927 64 2S 0.03543 -0.04502 -0.05316 0.49811 -0.14059 65 7 H 1S 0.01060 0.03521 0.07186 -0.21310 -0.10928 66 2S -0.03543 -0.04503 -0.05311 -0.49810 -0.14062 67 8 H 1S 0.28200 0.22459 0.14702 0.09666 0.05891 68 2S 0.23663 0.19846 -0.08229 0.24052 0.15312 69 9 C 1S 0.00000 0.03728 -0.00667 0.00000 -0.03561 70 2S 0.00002 0.61915 0.05843 0.00003 -0.45744 71 2PX 0.00000 -0.11585 0.04314 0.00000 -0.02574 72 2PY -0.10481 0.00000 0.00000 -0.04773 0.00000 73 2PZ 0.00000 -0.15053 -0.08597 0.00000 -0.03067 74 3S -0.00004 -1.38266 0.43170 -0.00005 1.17232 75 3PX 0.00002 0.52550 0.33352 0.00001 0.12834 76 3PY 0.42147 0.00000 0.00002 -0.34620 -0.00001 77 3PZ 0.00000 0.22839 0.06357 0.00000 0.10739 78 4XX 0.00000 0.02478 0.01776 0.00000 0.01191 79 4YY 0.00000 0.10475 -0.01001 0.00000 -0.07544 80 4ZZ 0.00000 -0.03453 0.01923 0.00000 0.00535 81 4XY -0.17014 0.00000 0.00001 -0.21442 -0.00001 82 4XZ 0.00000 0.04005 -0.00399 0.00000 -0.06930 83 4YZ -0.00190 0.00000 0.00000 0.01313 0.00000 84 10 H 1S 0.00000 0.07824 -0.01724 0.00000 -0.00093 85 2S 0.00002 0.64801 0.08720 0.00002 -0.35753 86 11 H 1S 0.00000 0.05968 -0.15713 0.00000 -0.12558 87 2S 0.00000 -0.08257 -0.06224 0.00001 -0.22559 88 12 C 1S -0.02463 -0.04030 -0.02146 -0.00647 -0.00406 89 2S -0.94937 -0.63172 -0.43317 -0.26728 -0.09739 90 2PX -0.02202 0.06136 -0.09453 -0.17003 -0.14372 91 2PY -0.00048 0.01388 0.03527 -0.03507 -0.07196 92 2PZ -0.16220 -0.17209 -0.03302 -0.01384 0.06210 93 3S 4.16611 0.96514 1.41281 0.06103 0.92766 94 3PX -1.64140 0.24432 -0.05485 1.01499 0.02729 95 3PY -0.47307 0.32525 0.29253 0.40720 0.44707 96 3PZ 1.44836 0.26231 0.25702 -0.52949 -0.00698 97 4XX -0.08487 -0.00853 0.16002 0.09130 -0.15395 98 4YY -0.00622 -0.03322 -0.06463 0.00775 -0.01614 99 4ZZ 0.08250 -0.04077 -0.11067 -0.11356 0.17940 100 4XY -0.02398 0.13375 -0.06285 -0.00066 -0.05292 101 4XZ 0.04632 -0.05689 -0.00522 0.09808 0.00262 102 4YZ 0.00196 0.06294 -0.03483 0.00048 0.12783 103 13 C 1S 0.02463 -0.04030 -0.02146 0.00647 -0.00406 104 2S 0.94934 -0.63177 -0.43318 0.26725 -0.09737 105 2PX 0.02202 0.06136 -0.09455 0.17003 -0.14371 106 2PY -0.00048 -0.01388 -0.03527 -0.03508 0.07196 107 2PZ 0.16219 -0.17210 -0.03302 0.01383 0.06210 108 3S -4.16606 0.96535 1.41278 -0.06099 0.92766 109 3PX 1.64141 0.24423 -0.05476 -1.01500 0.02723 110 3PY -0.47311 -0.32524 -0.29255 0.40722 -0.44704 111 3PZ -1.44835 0.26236 0.25697 0.52952 -0.00695 112 4XX 0.08487 -0.00853 0.16003 -0.09128 -0.15396 113 4YY 0.00622 -0.03322 -0.06463 -0.00775 -0.01614 114 4ZZ -0.08251 -0.04077 -0.11068 0.11354 0.17941 115 4XY -0.02399 -0.13375 0.06285 -0.00066 0.05292 116 4XZ -0.04632 -0.05689 -0.00522 -0.09808 0.00261 117 4YZ 0.00196 -0.06294 0.03483 0.00049 -0.12783 118 14 C 1S -0.01107 -0.01394 0.00416 0.01143 0.00660 119 2S -0.30703 -0.33934 0.19811 0.21383 0.10831 120 2PX -0.06870 -0.02009 0.08084 -0.01479 0.09010 121 2PY -0.09797 -0.09116 0.01163 -0.01915 0.00694 122 2PZ -0.01155 -0.02703 -0.01593 0.07034 0.05367 123 3S 1.62511 -0.21191 -1.15596 -1.02243 -0.08332 124 3PX 1.63473 -0.13359 -0.75278 0.20020 -0.82343 125 3PY 0.66022 1.33811 -0.12739 -0.78794 -0.45852 126 3PZ -0.82976 0.13980 0.38356 -0.36294 0.19275 127 4XX -0.07036 0.01692 -0.08885 0.10770 -0.00338 128 4YY 0.04529 -0.03930 0.01157 0.01049 -0.05516 129 4ZZ 0.02912 -0.00728 0.05854 -0.13274 0.06770 130 4XY -0.00543 0.02387 -0.01148 0.04345 0.22348 131 4XZ 0.00491 -0.02607 -0.12487 0.04646 0.05124 132 4YZ -0.07290 0.13818 -0.10231 0.05344 0.25309 133 15 C 1S -0.01039 0.01315 -0.00073 -0.00801 -0.00058 134 2S -0.34819 0.26856 -0.04974 -0.06491 -0.10214 135 2PX -0.12582 0.08819 -0.00880 0.02425 -0.08126 136 2PY -0.03344 0.09567 -0.09117 0.01370 -0.06831 137 2PZ 0.09266 -0.06937 0.00210 -0.01482 0.02165 138 3S 0.93100 -0.36018 -0.30583 0.85779 -0.46869 139 3PX 0.94417 -0.66849 0.08022 0.45968 0.29208 140 3PY -0.26105 -0.50834 0.40285 -0.12984 0.56658 141 3PZ -0.86474 0.43622 -0.01985 -0.22571 -0.05464 142 4XX -0.00512 0.12311 0.01166 -0.04989 0.16516 143 4YY -0.01240 0.08719 0.02338 0.00122 -0.03701 144 4ZZ -0.01751 -0.21206 -0.03539 0.05139 -0.11164 145 4XY 0.01599 0.02217 0.00215 0.01433 -0.05305 146 4XZ 0.03984 -0.05563 -0.04874 -0.01882 0.09285 147 4YZ -0.03265 0.07067 -0.04322 0.02074 -0.12741 148 16 C 1S 0.01039 0.01315 -0.00073 0.00801 -0.00058 149 2S 0.34821 0.26853 -0.04973 0.06491 -0.10213 150 2PX 0.12582 0.08818 -0.00879 -0.02424 -0.08126 151 2PY -0.03344 -0.09567 0.09117 0.01370 0.06831 152 2PZ -0.09266 -0.06936 0.00209 0.01482 0.02165 153 3S -0.93103 -0.36007 -0.30582 -0.85778 -0.46877 154 3PX -0.94420 -0.66842 0.08022 -0.45969 0.29203 155 3PY -0.26102 0.50836 -0.40284 -0.12982 -0.56658 156 3PZ 0.86476 0.43615 -0.01984 0.22571 -0.05461 157 4XX 0.00513 0.12311 0.01165 0.04988 0.16516 158 4YY 0.01241 0.08719 0.02338 -0.00121 -0.03701 159 4ZZ 0.01750 -0.21206 -0.03539 -0.05138 -0.11164 160 4XY 0.01599 -0.02217 -0.00215 0.01433 0.05304 161 4XZ -0.03984 -0.05562 -0.04875 0.01881 0.09285 162 4YZ -0.03266 -0.07066 0.04322 0.02073 0.12741 163 17 C 1S 0.01107 -0.01394 0.00416 -0.01143 0.00660 164 2S 0.30702 -0.33936 0.19813 -0.21382 0.10830 165 2PX 0.06870 -0.02010 0.08084 0.01479 0.09010 166 2PY -0.09797 0.09117 -0.01163 -0.01915 -0.00694 167 2PZ 0.01155 -0.02703 -0.01593 -0.07035 0.05366 168 3S -1.62512 -0.21185 -1.15604 1.02234 -0.08324 169 3PX -1.63474 -0.13348 -0.75280 -0.20021 -0.82345 170 3PY 0.66018 -1.33813 0.12745 -0.78795 0.45848 171 3PZ 0.82977 0.13973 0.38355 0.36295 0.19278 172 4XX 0.07036 0.01691 -0.08884 -0.10771 -0.00339 173 4YY -0.04529 -0.03930 0.01157 -0.01048 -0.05516 174 4ZZ -0.02912 -0.00728 0.05853 0.13274 0.06771 175 4XY -0.00543 -0.02387 0.01148 0.04346 -0.22347 176 4XZ -0.00491 -0.02607 -0.12486 -0.04647 0.05123 177 4YZ -0.07291 -0.13818 0.10231 0.05347 -0.25308 178 18 H 1S 0.25828 -0.18719 -0.06579 -0.20874 -0.02793 179 2S 0.13940 -0.08631 -0.10942 -0.31903 -0.25903 180 19 H 1S -0.25829 -0.18719 -0.06580 0.20874 -0.02792 181 2S -0.13941 -0.08631 -0.10945 0.31905 -0.25901 182 20 H 1S 0.16031 -0.16522 0.06201 0.00117 0.12097 183 2S 0.28950 -0.40517 0.08194 0.03266 0.25506 184 21 H 1S -0.16032 -0.16522 0.06201 -0.00117 0.12097 185 2S -0.28952 -0.40515 0.08194 -0.03267 0.25505 186 22 O 1S -0.00571 -0.03227 -0.01198 -0.01133 0.01279 187 2S -0.14219 -0.46632 -0.29330 -0.13993 0.17229 188 2PX -0.15138 -0.03528 -0.02160 -0.00167 0.04117 189 2PY 0.02756 0.04907 0.11264 -0.02483 -0.00953 190 2PZ 0.05742 0.02586 -0.03172 -0.00635 0.00330 191 3S 0.26710 1.72164 0.73387 0.54954 -0.63070 192 3PX 0.49988 0.12402 0.14889 0.02960 0.15908 193 3PY -0.16461 -0.44581 -0.33081 -0.10201 0.18456 194 3PZ -0.17823 0.06262 -0.05084 -0.05618 0.08249 195 4XX -0.02455 -0.08988 -0.07052 -0.05868 0.00306 196 4YY -0.02952 -0.14168 -0.09957 -0.06855 0.10583 197 4ZZ -0.04671 -0.16169 -0.04425 0.01122 0.03843 198 4XY 0.07010 0.01393 -0.00703 -0.03553 0.16241 199 4XZ -0.02527 -0.06900 -0.04728 -0.01485 -0.01476 200 4YZ 0.00917 0.08231 -0.07286 -0.02393 0.17339 201 23 O 1S 0.00571 -0.03227 -0.01198 0.01133 0.01279 202 2S 0.14217 -0.46633 -0.29331 0.13990 0.17230 203 2PX 0.15138 -0.03529 -0.02160 0.00166 0.04117 204 2PY 0.02755 -0.04907 -0.11264 -0.02484 0.00953 205 2PZ -0.05742 0.02586 -0.03173 0.00634 0.00330 206 3S -0.26702 1.72165 0.73391 -0.54944 -0.63072 207 3PX -0.49988 0.12405 0.14889 -0.02960 0.15907 208 3PY -0.16459 0.44581 0.33082 -0.10197 -0.18456 209 3PZ 0.17823 0.06260 -0.05084 0.05617 0.08249 210 4XX 0.02455 -0.08988 -0.07052 0.05868 0.00306 211 4YY 0.02952 -0.14168 -0.09958 0.06854 0.10584 212 4ZZ 0.04671 -0.16169 -0.04425 -0.01123 0.03843 213 4XY 0.07010 -0.01394 0.00703 -0.03553 -0.16241 214 4XZ 0.02526 -0.06901 -0.04728 0.01484 -0.01476 215 4YZ 0.00916 -0.08230 0.07286 -0.02391 -0.17339 136 137 138 139 140 V V V V V Eigenvalues -- 1.43477 1.44658 1.46107 1.47068 1.51419 1 1 C 1S 0.01199 0.00380 0.02420 0.01453 0.00772 2 2S 0.21093 0.02732 0.30653 0.15683 0.15818 3 2PX -0.10215 0.00787 -0.05898 -0.06756 -0.01620 4 2PY 0.00674 0.06251 -0.12336 -0.11109 -0.10655 5 2PZ 0.00188 -0.00505 -0.02745 -0.02596 -0.03838 6 3S -1.51120 -0.49686 -1.00921 -0.43719 -1.09521 7 3PX -0.01506 -0.29885 0.31890 0.37050 0.21708 8 3PY -0.71556 -0.69455 0.65649 0.73321 -0.22017 9 3PZ 0.04524 0.22472 -0.06716 -0.09345 -0.44552 10 4XX 0.21892 0.06961 0.01870 0.01192 -0.09626 11 4YY 0.05214 -0.01567 0.02883 0.03720 0.01634 12 4ZZ -0.27170 -0.06022 -0.03153 -0.04731 0.04511 13 4XY -0.17679 -0.02438 0.01849 0.08140 0.09970 14 4XZ -0.04444 -0.03356 -0.00746 -0.00389 -0.05187 15 4YZ 0.01525 0.03845 -0.01652 0.01438 -0.02605 16 2 C 1S -0.02396 -0.00743 0.00980 0.00954 0.00651 17 2S -0.36382 -0.10870 0.21745 0.24648 0.05273 18 2PX -0.00422 -0.01069 -0.09411 -0.09481 0.13345 19 2PY 0.03837 0.01498 0.07698 0.07759 0.00062 20 2PZ -0.08302 -0.04663 -0.01658 -0.02511 0.06147 21 3S 2.42963 1.25882 -0.05620 -0.23857 -0.08103 22 3PX -0.91821 -0.47119 0.34406 0.43915 0.06043 23 3PY 1.23880 0.61706 -0.52177 -0.49775 -0.07758 24 3PZ 0.75379 0.48949 -0.28515 -0.32850 -0.11195 25 4XX -0.17958 -0.04869 -0.09155 -0.10248 0.21726 26 4YY 0.01108 0.00286 0.05091 0.06294 -0.01086 27 4ZZ 0.15515 0.04212 0.04455 0.03378 -0.18975 28 4XY -0.00618 0.00255 0.16562 0.13346 -0.33709 29 4XZ -0.04110 -0.02896 -0.05174 -0.08003 -0.06168 30 4YZ -0.03832 -0.01105 0.12994 0.11251 -0.25101 31 3 C 1S 0.02396 0.00743 0.00980 0.00954 0.00651 32 2S 0.36382 0.10867 0.21747 0.24650 0.05274 33 2PX 0.00423 0.01070 -0.09411 -0.09481 0.13345 34 2PY 0.03838 0.01498 -0.07697 -0.07759 -0.00062 35 2PZ 0.08302 0.04664 -0.01658 -0.02511 0.06147 36 3S -2.42963 -1.25881 -0.05637 -0.23872 -0.08113 37 3PX 0.91821 0.47116 0.34411 0.43921 0.06048 38 3PY 1.23879 0.61701 0.52185 0.49781 0.07763 39 3PZ -0.75379 -0.48946 -0.28521 -0.32855 -0.11199 40 4XX 0.17958 0.04870 -0.09154 -0.10247 0.21726 41 4YY -0.01108 -0.00286 0.05090 0.06294 -0.01086 42 4ZZ -0.15515 -0.04213 0.04455 0.03377 -0.18975 43 4XY -0.00618 0.00256 -0.16562 -0.13346 0.33709 44 4XZ 0.04110 0.02897 -0.05174 -0.08003 -0.06168 45 4YZ -0.03832 -0.01104 -0.12994 -0.11251 0.25101 46 4 C 1S -0.01199 -0.00380 0.02420 0.01453 0.00772 47 2S -0.21094 -0.02734 0.30652 0.15682 0.15818 48 2PX 0.10216 -0.00786 -0.05898 -0.06756 -0.01620 49 2PY 0.00674 0.06250 0.12337 0.11110 0.10656 50 2PZ -0.00188 0.00505 -0.02745 -0.02596 -0.03839 51 3S 1.51122 0.49695 -1.00914 -0.43711 -1.09515 52 3PX 0.01505 0.29881 0.31894 0.37053 0.21710 53 3PY -0.71555 -0.69450 -0.65657 -0.73328 0.22013 54 3PZ -0.04524 -0.22471 -0.06718 -0.09347 -0.44554 55 4XX -0.21892 -0.06962 0.01870 0.01192 -0.09626 56 4YY -0.05214 0.01567 0.02883 0.03720 0.01634 57 4ZZ 0.27170 0.06023 -0.03152 -0.04730 0.04511 58 4XY -0.17679 -0.02438 -0.01849 -0.08140 -0.09971 59 4XZ 0.04445 0.03357 -0.00746 -0.00389 -0.05186 60 4YZ 0.01525 0.03845 0.01652 -0.01437 0.02605 61 5 H 1S -0.00825 -0.11187 0.23244 0.18661 0.03555 62 2S -0.09824 -0.25144 0.47904 0.41098 0.14311 63 6 H 1S 0.17584 0.09675 -0.16525 -0.18217 -0.13601 64 2S 0.38788 0.23042 -0.25162 -0.26188 -0.03528 65 7 H 1S -0.17584 -0.09673 -0.16526 -0.18217 -0.13602 66 2S -0.38788 -0.23039 -0.25164 -0.26191 -0.03530 67 8 H 1S 0.00824 0.11185 0.23246 0.18662 0.03556 68 2S 0.09823 0.25140 0.47906 0.41100 0.14312 69 9 C 1S 0.00000 0.00000 -0.04559 -0.04445 -0.07369 70 2S 0.00000 0.00003 -0.50407 -0.57426 -0.95441 71 2PX 0.00000 0.00000 -0.08661 -0.08410 -0.13834 72 2PY -0.04972 -0.06091 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.10158 0.00326 0.03070 74 3S -0.00001 -0.00007 1.13613 1.27227 3.07380 75 3PX 0.00000 -0.00001 0.28840 -0.04142 0.47289 76 3PY -0.46409 0.08329 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00001 -0.17201 0.13566 -0.54640 78 4XX 0.00000 0.00000 -0.03781 0.00664 0.04229 79 4YY 0.00000 0.00000 -0.05320 -0.08250 0.11157 80 4ZZ 0.00000 0.00000 0.02367 -0.00417 -0.23898 81 4XY 0.38766 0.11330 0.00000 0.00000 0.00001 82 4XZ 0.00000 0.00000 0.00324 -0.08842 0.01181 83 4YZ 0.21856 0.07995 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00001 -0.19515 -0.07439 -0.27689 85 2S 0.00000 0.00000 0.17014 -0.43048 -0.03602 86 11 H 1S 0.00000 0.00001 -0.22524 -0.11181 -0.19033 87 2S 0.00000 0.00001 -0.15047 -0.26349 -0.30476 88 12 C 1S -0.00192 -0.00783 -0.01063 -0.00492 0.00066 89 2S -0.16960 -0.19412 -0.19844 -0.12320 0.10381 90 2PX -0.01677 0.01432 -0.12069 -0.14826 0.02447 91 2PY 0.02199 0.00615 -0.09013 -0.16388 -0.04797 92 2PZ -0.08312 -0.01800 0.01587 0.05610 0.04427 93 3S 0.60357 0.77787 0.46399 0.31873 -0.06260 94 3PX -0.17005 -0.32800 0.48965 0.56694 0.16549 95 3PY -0.10678 -0.24165 0.54529 0.62717 0.31833 96 3PZ 0.01036 0.04820 -0.25900 -0.46362 -0.31950 97 4XX -0.12957 -0.03560 -0.09867 -0.00643 -0.13788 98 4YY -0.01393 0.00374 0.05020 0.03410 0.09459 99 4ZZ 0.14048 0.03560 0.02511 -0.04645 -0.00718 100 4XY -0.00692 0.02226 0.00577 -0.15981 -0.10724 101 4XZ 0.00564 0.03486 -0.00850 0.07363 -0.04459 102 4YZ 0.05196 0.04268 0.10317 -0.06693 -0.03634 103 13 C 1S 0.00192 0.00783 -0.01063 -0.00492 0.00066 104 2S 0.16960 0.19414 -0.19842 -0.12319 0.10380 105 2PX 0.01678 -0.01431 -0.12069 -0.14826 0.02447 106 2PY 0.02199 0.00613 0.09013 0.16388 0.04797 107 2PZ 0.08312 0.01800 0.01587 0.05611 0.04428 108 3S -0.60359 -0.77792 0.46394 0.31870 -0.06254 109 3PX 0.17004 0.32795 0.48966 0.56695 0.16549 110 3PY -0.10676 -0.24159 -0.54531 -0.62719 -0.31835 111 3PZ -0.01036 -0.04817 -0.25901 -0.46363 -0.31951 112 4XX 0.12957 0.03560 -0.09867 -0.00643 -0.13788 113 4YY 0.01393 -0.00375 0.05020 0.03410 0.09459 114 4ZZ -0.14048 -0.03560 0.02510 -0.04645 -0.00718 115 4XY -0.00692 0.02225 -0.00577 0.15981 0.10724 116 4XZ -0.00565 -0.03486 -0.00850 0.07362 -0.04459 117 4YZ 0.05196 0.04268 -0.10317 0.06693 0.03634 118 14 C 1S -0.00264 -0.00502 -0.01029 -0.01029 -0.00908 119 2S -0.05942 -0.02607 -0.34297 -0.45078 -0.27220 120 2PX -0.04244 0.06789 -0.05051 -0.05409 0.01020 121 2PY -0.03557 -0.01472 -0.04456 -0.07126 -0.03955 122 2PZ 0.01039 0.06391 -0.03388 -0.01305 -0.02773 123 3S -0.17043 0.47289 0.57027 1.43682 0.55014 124 3PX 0.36529 -0.17021 -0.11582 -0.10375 -0.11317 125 3PY -0.01473 0.29584 0.97266 0.79100 0.78770 126 3PZ -0.22703 -0.12172 0.28933 0.34087 0.28222 127 4XX -0.10823 -0.21211 0.08578 -0.01106 0.06171 128 4YY 0.04004 -0.05293 -0.02758 -0.00893 -0.03898 129 4ZZ 0.05219 0.25924 -0.07706 0.00956 -0.04543 130 4XY -0.10897 0.22108 -0.09051 -0.02045 -0.01780 131 4XZ -0.06230 -0.08863 -0.00559 0.01704 -0.06645 132 4YZ -0.17288 0.23983 -0.03023 -0.03956 0.00672 133 15 C 1S -0.00748 0.00157 0.00907 0.00687 0.00666 134 2S -0.17371 0.08655 0.07705 0.01917 0.02298 135 2PX -0.02001 -0.03066 0.03572 -0.12263 -0.02877 136 2PY -0.02232 0.02686 0.06069 0.06692 0.04211 137 2PZ 0.04312 -0.07153 0.12239 -0.04827 0.03369 138 3S 0.87069 -0.41826 -0.53805 -0.64804 -0.45140 139 3PX 0.37269 -0.20322 -0.31357 -0.24194 -0.24272 140 3PY 0.19802 -0.01625 -0.07154 0.03360 -0.01591 141 3PZ -0.37012 0.18623 0.14963 0.20306 0.14427 142 4XX -0.03354 0.24741 -0.25149 0.10598 -0.05552 143 4YY 0.00447 0.00978 0.01875 -0.00658 0.02584 144 4ZZ 0.02419 -0.25720 0.22091 -0.09588 0.01194 145 4XY -0.00369 -0.04228 -0.19152 0.24457 0.00063 146 4XZ -0.00613 0.08443 -0.13937 0.05701 -0.07935 147 4YZ -0.01993 -0.02531 -0.23921 0.28913 0.02685 148 16 C 1S 0.00748 -0.00157 0.00907 0.00687 0.00666 149 2S 0.17371 -0.08656 0.07703 0.01917 0.02300 150 2PX 0.02001 0.03066 0.03572 -0.12263 -0.02877 151 2PY -0.02232 0.02686 -0.06069 -0.06692 -0.04211 152 2PZ -0.04312 0.07153 0.12240 -0.04827 0.03369 153 3S -0.87066 0.41831 -0.53799 -0.64804 -0.45150 154 3PX -0.37269 0.20325 -0.31353 -0.24195 -0.24277 155 3PY 0.19803 -0.01625 0.07152 -0.03359 0.01597 156 3PZ 0.37012 -0.18624 0.14960 0.20306 0.14430 157 4XX 0.03354 -0.24740 -0.25150 0.10597 -0.05552 158 4YY -0.00447 -0.00978 0.01875 -0.00658 0.02584 159 4ZZ -0.02419 0.25718 0.22093 -0.09587 0.01193 160 4XY -0.00369 -0.04229 0.19152 -0.24457 -0.00063 161 4XZ 0.00613 -0.08443 -0.13938 0.05701 -0.07935 162 4YZ -0.01993 -0.02532 0.23921 -0.28913 -0.02685 163 17 C 1S 0.00264 0.00502 -0.01029 -0.01029 -0.00908 164 2S 0.05943 0.02611 -0.34297 -0.45078 -0.27221 165 2PX 0.04244 -0.06789 -0.05051 -0.05409 0.01019 166 2PY -0.03557 -0.01472 0.04456 0.07126 0.03955 167 2PZ -0.01039 -0.06391 -0.03389 -0.01305 -0.02773 168 3S 0.17041 -0.47297 0.57021 1.43682 0.55022 169 3PX -0.36528 0.17023 -0.11581 -0.10376 -0.11315 170 3PY -0.01471 0.29592 -0.97264 -0.79099 -0.78771 171 3PZ 0.22702 0.12169 0.28933 0.34088 0.28220 172 4XX 0.10823 0.21211 0.08579 -0.01106 0.06170 173 4YY -0.04003 0.05292 -0.02758 -0.00893 -0.03897 174 4ZZ -0.05219 -0.25924 -0.07707 0.00955 -0.04543 175 4XY -0.10897 0.22108 0.09052 0.02046 0.01780 176 4XZ 0.06230 0.08863 -0.00558 0.01704 -0.06645 177 4YZ -0.17288 0.23982 0.03024 0.03957 -0.00671 178 18 H 1S -0.04961 0.00683 -0.12867 -0.13622 -0.08583 179 2S 0.01903 0.01634 -0.35501 -0.46771 -0.20248 180 19 H 1S 0.04961 -0.00682 -0.12867 -0.13622 -0.08584 181 2S -0.01902 -0.01630 -0.35502 -0.46771 -0.20250 182 20 H 1S 0.05071 0.00458 -0.02665 -0.02252 -0.01570 183 2S 0.12405 -0.04771 -0.08869 -0.03247 -0.07551 184 21 H 1S -0.05071 -0.00458 -0.02664 -0.02252 -0.01571 185 2S -0.12405 0.04771 -0.08868 -0.03247 -0.07553 186 22 O 1S 0.00111 0.00228 -0.01420 0.00156 -0.01303 187 2S 0.04867 0.03766 -0.13671 0.20275 -0.09869 188 2PX 0.00238 -0.03668 0.01132 0.02020 0.00819 189 2PY -0.02009 -0.02247 -0.05224 -0.14493 -0.04873 190 2PZ 0.06551 -0.02644 0.00299 -0.01871 -0.00007 191 3S -0.11108 -0.12313 0.72084 -0.24021 0.56652 192 3PX 0.12292 -0.06721 -0.00844 -0.03418 0.02425 193 3PY 0.05911 0.01182 -0.12433 0.25312 -0.08835 194 3PZ -0.06157 -0.10535 -0.03523 -0.04797 -0.03209 195 4XX 0.01312 0.11853 0.02431 0.03209 0.00093 196 4YY 0.04355 -0.02648 -0.06449 0.05006 -0.04439 197 4ZZ -0.02710 -0.05755 -0.07262 0.04235 -0.05094 198 4XY 0.10518 -0.12089 -0.04030 -0.02665 -0.00083 199 4XZ -0.00254 0.05420 -0.03627 -0.01914 -0.05680 200 4YZ 0.09522 -0.18239 -0.01597 -0.05322 -0.02174 201 23 O 1S -0.00111 -0.00228 -0.01420 0.00156 -0.01303 202 2S -0.04867 -0.03767 -0.13671 0.20275 -0.09869 203 2PX -0.00238 0.03668 0.01133 0.02021 0.00819 204 2PY -0.02010 -0.02248 0.05224 0.14493 0.04873 205 2PZ -0.06551 0.02644 0.00300 -0.01871 -0.00007 206 3S 0.11108 0.12311 0.72084 -0.24020 0.56654 207 3PX -0.12292 0.06722 -0.00843 -0.03418 0.02425 208 3PY 0.05912 0.01183 0.12433 -0.25312 0.08836 209 3PZ 0.06157 0.10535 -0.03523 -0.04797 -0.03209 210 4XX -0.01312 -0.11854 0.02431 0.03208 0.00093 211 4YY -0.04355 0.02648 -0.06449 0.05006 -0.04439 212 4ZZ 0.02710 0.05755 -0.07262 0.04235 -0.05095 213 4XY 0.10518 -0.12089 0.04029 0.02665 0.00082 214 4XZ 0.00254 -0.05420 -0.03627 -0.01914 -0.05680 215 4YZ 0.09522 -0.18239 0.01596 0.05322 0.02174 141 142 143 144 145 V V V V V Eigenvalues -- 1.52261 1.58382 1.63784 1.64470 1.66248 1 1 C 1S 0.01155 -0.01624 0.03218 0.01703 0.03109 2 2S 0.15395 -0.22946 0.37066 0.39234 0.54436 3 2PX -0.05255 0.07332 -0.05986 -0.15112 -0.09527 4 2PY 0.04937 -0.17141 -0.02384 -0.03997 -0.01697 5 2PZ 0.07063 0.00478 -0.05947 0.03877 -0.12977 6 3S -1.47038 0.06357 -1.59979 -2.18004 -0.31169 7 3PX -0.40269 -0.13847 0.34030 0.01428 0.53406 8 3PY -1.15247 0.07007 -0.08616 -0.72500 0.35127 9 3PZ 0.33260 -0.21918 -0.31370 0.10213 0.10823 10 4XX -0.07250 -0.00073 0.06484 -0.18232 0.16588 11 4YY 0.00261 0.10595 -0.14958 0.09000 0.10147 12 4ZZ 0.05857 -0.13173 0.09431 0.05430 -0.26312 13 4XY -0.20952 0.02076 -0.05364 -0.16695 0.11174 14 4XZ -0.07614 -0.05801 0.00953 -0.12141 -0.02428 15 4YZ -0.07458 -0.09074 0.00519 -0.01495 0.03294 16 2 C 1S -0.02200 0.00083 0.00344 -0.02732 0.03053 17 2S -0.31779 0.03310 -0.02566 -0.39342 0.52149 18 2PX 0.03897 0.03382 -0.00938 0.05860 -0.11424 19 2PY 0.03414 -0.01316 0.02489 0.01778 -0.05702 20 2PZ 0.00270 -0.04827 0.01975 -0.00879 -0.03626 21 3S 2.77942 0.01588 0.05697 2.76759 -2.37634 22 3PX -1.27081 0.20845 -0.09022 -1.30031 0.97015 23 3PY 1.34891 -0.20687 0.01617 1.39234 -1.19124 24 3PZ 1.05956 -0.14458 0.09883 1.07490 -0.72663 25 4XX 0.08327 -0.03042 -0.04177 0.12990 -0.15579 26 4YY 0.01427 0.05869 -0.03684 0.01728 -0.01846 27 4ZZ -0.07837 -0.04357 0.08348 -0.12796 0.15124 28 4XY -0.00663 -0.02277 0.01614 0.00002 -0.03231 29 4XZ 0.04120 -0.15025 0.03689 0.07166 -0.16626 30 4YZ -0.00075 0.10693 -0.13184 0.03939 -0.07307 31 3 C 1S 0.02200 0.00083 0.00345 0.02732 -0.03053 32 2S 0.31779 0.03310 -0.02561 0.39342 -0.52150 33 2PX -0.03898 0.03382 -0.00939 -0.05860 0.11424 34 2PY 0.03414 0.01316 -0.02489 0.01778 -0.05701 35 2PZ -0.00270 -0.04827 0.01976 0.00878 0.03626 36 3S -2.77941 0.01586 0.05658 -2.76759 2.37636 37 3PX 1.27081 0.20846 -0.09003 1.30033 -0.97016 38 3PY 1.34890 0.20689 -0.01597 1.39234 -1.19124 39 3PZ -1.05955 -0.14459 0.09867 -1.07492 0.72664 40 4XX -0.08328 -0.03042 -0.04178 -0.12989 0.15579 41 4YY -0.01428 0.05869 -0.03684 -0.01727 0.01846 42 4ZZ 0.07838 -0.04357 0.08349 0.12794 -0.15125 43 4XY -0.00664 0.02277 -0.01614 0.00002 -0.03230 44 4XZ -0.04119 -0.15026 0.03689 -0.07167 0.16626 45 4YZ -0.00076 -0.10693 0.13184 0.03937 -0.07308 46 4 C 1S -0.01155 -0.01623 0.03217 -0.01703 -0.03110 47 2S -0.15396 -0.22945 0.37055 -0.39241 -0.54439 48 2PX 0.05256 0.07332 -0.05982 0.15113 0.09528 49 2PY 0.04937 0.17141 0.02384 -0.03997 -0.01697 50 2PZ -0.07063 0.00477 -0.05947 -0.03876 0.12977 51 3S 1.47042 0.06356 -1.59935 2.18032 0.31178 52 3PX 0.40268 -0.13846 0.34027 -0.01435 -0.53409 53 3PY -1.15247 -0.07009 0.08604 -0.72500 0.35128 54 3PZ -0.33257 -0.21918 -0.31373 -0.10207 -0.10821 55 4XX 0.07250 -0.00073 0.06487 0.18231 -0.16589 56 4YY -0.00261 0.10595 -0.14960 -0.08997 -0.10146 57 4ZZ -0.05857 -0.13174 0.09432 -0.05432 0.26311 58 4XY -0.20951 -0.02076 0.05362 -0.16696 0.11174 59 4XZ 0.07615 -0.05801 0.00956 0.12141 0.02427 60 4YZ -0.07458 0.09074 -0.00519 -0.01495 0.03294 61 5 H 1S -0.13400 -0.15462 0.32451 -0.03524 0.04666 62 2S -0.32543 0.10062 0.20610 0.03423 0.24943 63 6 H 1S 0.25484 -0.22696 0.11191 0.24832 -0.23246 64 2S 0.55764 -0.11205 0.01512 0.56632 -0.36230 65 7 H 1S -0.25483 -0.22697 0.11187 -0.24834 0.23246 66 2S -0.55763 -0.11206 0.01503 -0.56633 0.36230 67 8 H 1S 0.13400 -0.15462 0.32451 0.03518 -0.04669 68 2S 0.32542 0.10062 0.20608 -0.03427 -0.24945 69 9 C 1S 0.00000 -0.04697 -0.05525 0.00000 0.00000 70 2S 0.00003 -0.76797 -0.81198 0.00007 0.00002 71 2PX 0.00000 0.09298 0.09515 -0.00001 0.00000 72 2PY -0.11084 0.00000 0.00000 -0.00597 -0.04491 73 2PZ 0.00000 0.25947 -0.04516 0.00001 0.00000 74 3S -0.00007 1.48170 2.84212 -0.00024 -0.00008 75 3PX 0.00000 -0.04761 -0.16425 0.00002 0.00001 76 3PY -0.00895 0.00000 -0.00005 -0.51468 -0.22472 77 3PZ 0.00002 -0.58249 -0.28567 0.00002 0.00000 78 4XX 0.00000 0.01225 0.03426 0.00000 0.00000 79 4YY 0.00000 -0.12340 0.21666 -0.00002 -0.00001 80 4ZZ 0.00000 0.09173 -0.26546 0.00002 0.00001 81 4XY 0.24108 0.00000 0.00001 0.08428 -0.01973 82 4XZ 0.00000 0.01129 0.16761 -0.00002 -0.00001 83 4YZ 0.17312 0.00000 0.00002 0.19242 -0.01104 84 10 H 1S 0.00001 -0.11928 -0.11600 0.00001 0.00000 85 2S 0.00001 -0.23121 -0.50429 0.00005 0.00002 86 11 H 1S 0.00000 -0.24086 -0.19622 0.00001 0.00001 87 2S 0.00000 0.17089 -0.16590 0.00002 0.00001 88 12 C 1S 0.03744 0.03225 -0.01139 -0.00246 0.02982 89 2S 0.28290 0.40991 0.05634 -0.19999 0.32314 90 2PX 0.03100 0.07718 -0.07126 -0.15223 0.13225 91 2PY 0.03192 0.01190 0.06516 0.08281 0.09689 92 2PZ -0.09345 0.13767 0.10552 0.08783 -0.06771 93 3S -2.33849 -1.30725 0.46177 2.83216 0.06080 94 3PX 0.51102 0.21469 0.01297 -0.50635 -1.86149 95 3PY -0.29427 -0.28150 0.08359 -1.15233 -0.61299 96 3PZ 0.31168 -0.42734 0.03057 0.16766 1.58766 97 4XX 0.12469 0.17748 0.02591 0.06089 0.04816 98 4YY -0.02765 0.07403 0.02269 -0.00222 -0.01036 99 4ZZ -0.07862 -0.24075 -0.01793 0.01021 0.03171 100 4XY 0.03627 0.27443 0.25104 -0.04429 -0.01098 101 4XZ 0.03975 -0.15430 0.16090 0.01523 -0.03067 102 4YZ -0.08180 0.15643 0.06710 0.02518 -0.15288 103 13 C 1S -0.03745 0.03224 -0.01139 0.00246 -0.02982 104 2S -0.28292 0.40990 0.05635 0.19998 -0.32314 105 2PX -0.03100 0.07718 -0.07124 0.15225 -0.13224 106 2PY 0.03191 -0.01190 -0.06513 0.08283 0.09690 107 2PZ 0.09344 0.13767 0.10551 -0.08785 0.06770 108 3S 2.33852 -1.30716 0.46124 -2.83226 -0.06086 109 3PX -0.51103 0.21466 0.01319 0.50634 1.86148 110 3PY -0.29425 0.28152 -0.08385 -1.15232 -0.61299 111 3PZ -0.31166 -0.42733 0.03043 -0.16767 -1.58766 112 4XX -0.12468 0.17747 0.02589 -0.06089 -0.04816 113 4YY 0.02765 0.07404 0.02270 0.00222 0.01035 114 4ZZ 0.07863 -0.24075 -0.01794 -0.01021 -0.03171 115 4XY 0.03627 -0.27443 -0.25105 -0.04425 -0.01097 116 4XZ -0.03975 -0.15430 0.16090 -0.01526 0.03066 117 4YZ -0.08180 -0.15643 -0.06711 0.02519 -0.15287 118 14 C 1S 0.02111 -0.01092 0.00377 -0.03607 -0.02213 119 2S 0.28664 0.03359 0.15852 -0.73600 -0.44466 120 2PX 0.11092 0.01455 0.05344 -0.15886 0.00765 121 2PY 0.00314 0.01757 0.09065 -0.07250 0.01347 122 2PZ -0.07388 0.07432 -0.06007 0.03334 -0.04115 123 3S -2.60925 -0.25347 -0.01180 4.36477 3.33052 124 3PX -0.50429 0.66012 -0.36277 -0.29109 -0.20796 125 3PY -0.97154 0.67490 -0.58538 2.56428 1.43071 126 3PZ 0.49679 -0.53284 0.23980 0.55093 0.57586 127 4XX 0.22561 -0.02492 -0.06235 0.03410 0.16435 128 4YY -0.06537 -0.03703 0.00875 0.03842 -0.03802 129 4ZZ -0.19327 0.03106 0.09005 0.00217 -0.09468 130 4XY 0.06968 0.01790 -0.15135 -0.03977 0.02745 131 4XZ 0.05652 -0.10148 0.17712 0.07774 0.05261 132 4YZ 0.13456 -0.00881 0.03589 0.04119 0.08222 133 15 C 1S -0.02921 -0.00655 0.00374 0.05934 0.02992 134 2S -0.62459 -0.08360 -0.03816 1.05208 0.45926 135 2PX -0.12045 -0.00728 -0.00917 0.15684 0.01620 136 2PY -0.03156 0.00387 0.07070 0.02085 0.03603 137 2PZ 0.09128 -0.05022 -0.00966 -0.08586 0.00198 138 3S 3.70284 0.57897 -0.08846 -7.05331 -3.40740 139 3PX 1.70176 0.06282 0.14812 -3.35192 -1.44862 140 3PY 2.04209 -0.33615 0.12164 -2.59915 -0.71750 141 3PZ -1.21415 0.01995 -0.08520 2.38529 1.01079 142 4XX -0.04434 0.07615 0.06965 0.00588 -0.02335 143 4YY 0.00804 0.02404 -0.11447 -0.02393 -0.01560 144 4ZZ 0.03351 -0.12460 0.08431 -0.02159 0.00941 145 4XY 0.05469 -0.01185 -0.02854 -0.02322 0.00073 146 4XZ -0.00538 0.06178 0.10910 -0.05615 -0.02013 147 4YZ 0.02496 0.07454 0.06414 0.02118 0.02541 148 16 C 1S 0.02921 -0.00655 0.00373 -0.05934 -0.02992 149 2S 0.62459 -0.08357 -0.03840 -1.05207 -0.45926 150 2PX 0.12045 -0.00727 -0.00920 -0.15683 -0.01620 151 2PY -0.03155 -0.00387 -0.07070 0.02087 0.03604 152 2PZ -0.09128 -0.05022 -0.00964 0.08586 -0.00198 153 3S -3.70283 0.57878 -0.08687 7.05334 3.40744 154 3PX -1.70174 0.06274 0.14887 3.35187 1.44861 155 3PY 2.04210 0.33623 -0.12219 -2.59916 -0.71750 156 3PZ 1.21414 0.02002 -0.08573 -2.38527 -1.01078 157 4XX 0.04434 0.07615 0.06965 -0.00590 0.02335 158 4YY -0.00804 0.02404 -0.11447 0.02396 0.01561 159 4ZZ -0.03351 -0.12460 0.08431 0.02157 -0.00942 160 4XY 0.05469 0.01185 0.02854 -0.02323 0.00072 161 4XZ 0.00538 0.06178 0.10911 0.05614 0.02014 162 4YZ 0.02496 -0.07454 -0.06413 0.02120 0.02542 163 17 C 1S -0.02111 -0.01093 0.00377 0.03607 0.02213 164 2S -0.28662 0.03357 0.15869 0.73598 0.44466 165 2PX -0.11092 0.01455 0.05347 0.15885 -0.00766 166 2PY 0.00314 -0.01757 -0.09067 -0.07249 0.01348 167 2PZ 0.07387 0.07432 -0.06008 -0.03332 0.04116 168 3S 2.60922 -0.25334 -0.01285 -4.36478 -3.33055 169 3PX 0.50427 0.66012 -0.36269 0.29121 0.20804 170 3PY -0.97150 -0.67498 0.58599 2.56417 1.43067 171 3PZ -0.49679 -0.53284 0.23966 -0.55099 -0.57590 172 4XX -0.22561 -0.02492 -0.06236 -0.03410 -0.16434 173 4YY 0.06537 -0.03703 0.00874 -0.03842 0.03801 174 4ZZ 0.19328 0.03106 0.09005 -0.00219 0.09467 175 4XY 0.06969 -0.01790 0.15134 -0.03980 0.02744 176 4XZ -0.05651 -0.10148 0.17710 -0.07778 -0.05262 177 4YZ 0.13457 0.00882 -0.03588 0.04120 0.08222 178 18 H 1S 0.28093 0.10746 -0.03860 0.01816 0.46778 179 2S 0.33242 -0.04675 -0.02672 -0.01036 0.84971 180 19 H 1S -0.28093 0.10746 -0.03864 -0.01815 -0.46778 181 2S -0.33241 -0.04674 -0.02678 0.01037 -0.84971 182 20 H 1S 0.31233 0.00594 0.11014 -0.45249 -0.10179 183 2S 0.68844 -0.10621 0.07112 -1.13342 -0.35062 184 21 H 1S -0.31233 0.00593 0.11023 0.45247 0.10178 185 2S -0.68844 -0.10624 0.07136 1.13341 0.35061 186 22 O 1S 0.00788 -0.02144 0.01560 0.00429 -0.00139 187 2S 0.12857 -0.38842 0.20262 -0.11014 -0.15821 188 2PX -0.07735 -0.01125 -0.07542 0.00935 -0.02937 189 2PY -0.03023 0.06714 -0.03879 0.09215 0.11101 190 2PZ -0.00964 -0.01472 0.03117 -0.05397 -0.05095 191 3S -0.32615 1.23326 -0.74592 -0.23431 0.16551 192 3PX 0.01935 -0.03764 0.10182 -0.07000 -0.02552 193 3PY 0.21343 -0.39762 0.20326 -0.22346 -0.24500 194 3PZ 0.02995 0.13819 -0.08929 0.13537 0.14866 195 4XX -0.07766 -0.10901 -0.01228 -0.02932 -0.11087 196 4YY 0.00211 -0.13140 0.05193 -0.01575 -0.05259 197 4ZZ 0.16775 -0.03164 0.13017 0.01297 0.07277 198 4XY -0.05283 -0.00398 -0.11324 -0.01401 -0.08711 199 4XZ 0.02976 -0.04284 0.16026 -0.03448 -0.01589 200 4YZ -0.07788 0.04443 0.06632 0.00525 -0.03662 201 23 O 1S -0.00788 -0.02144 0.01560 -0.00430 0.00139 202 2S -0.12856 -0.38842 0.20265 0.11009 0.15819 203 2PX 0.07735 -0.01125 -0.07542 -0.00933 0.02938 204 2PY -0.03023 -0.06714 0.03881 0.09215 0.11100 205 2PZ 0.00964 -0.01472 0.03118 0.05396 0.05095 206 3S 0.32611 1.23326 -0.74586 0.23447 -0.16544 207 3PX -0.01934 -0.03763 0.10184 0.06997 0.02550 208 3PY 0.21342 0.39763 -0.20332 -0.22341 -0.24498 209 3PZ -0.02995 0.13819 -0.08933 -0.13535 -0.14865 210 4XX 0.07766 -0.10900 -0.01227 0.02932 0.11086 211 4YY -0.00211 -0.13140 0.05193 0.01574 0.05259 212 4ZZ -0.16775 -0.03164 0.13017 -0.01299 -0.07278 213 4XY -0.05283 0.00398 0.11323 -0.01403 -0.08712 214 4XZ -0.02975 -0.04284 0.16027 0.03445 0.01588 215 4YZ -0.07788 -0.04443 -0.06632 0.00527 -0.03662 146 147 148 149 150 V V V V V Eigenvalues -- 1.70208 1.77005 1.77206 1.79798 1.82734 1 1 C 1S 0.01543 0.00389 0.01523 0.01249 -0.00473 2 2S 0.26195 -0.00759 0.09678 -0.00848 0.08194 3 2PX -0.05165 -0.02631 0.00310 0.01183 -0.01634 4 2PY -0.03937 -0.02603 -0.01117 -0.02804 0.05662 5 2PZ -0.03017 -0.01384 -0.04089 0.01765 0.01765 6 3S -0.82645 -0.45908 -0.52200 -0.78144 -0.25249 7 3PX 0.32029 -0.10930 -0.10791 -0.27546 -0.13267 8 3PY 0.18830 -0.31022 -0.31018 -0.36943 -0.23721 9 3PZ -0.06402 0.00210 0.19466 -0.16439 0.06541 10 4XX -0.02377 -0.00725 -0.04969 0.05797 0.00455 11 4YY -0.04133 0.03483 0.01927 -0.01676 -0.03281 12 4ZZ 0.06219 -0.05904 0.01492 -0.04095 0.02651 13 4XY -0.00402 -0.14050 0.06436 -0.36597 0.04622 14 4XZ -0.00373 -0.14592 -0.07058 -0.13137 0.02403 15 4YZ -0.03157 -0.03702 0.15213 -0.02910 -0.09956 16 2 C 1S -0.00058 -0.00503 -0.00205 0.00291 -0.00556 17 2S -0.03727 -0.12722 0.06252 -0.18995 -0.17194 18 2PX 0.02781 -0.00332 -0.02805 -0.04203 0.03871 19 2PY 0.03146 -0.05860 0.01545 -0.10874 -0.01599 20 2PZ 0.00584 0.01576 -0.01028 0.10136 -0.01803 21 3S 0.07546 0.24001 0.34925 0.22451 0.70692 22 3PX -0.03661 -0.17308 -0.16277 -0.23384 -0.24154 23 3PY -0.10597 0.14382 0.12924 0.28135 0.15227 24 3PZ -0.05116 0.13288 0.23667 0.15096 0.13075 25 4XX 0.06108 -0.04355 0.00878 -0.04705 0.00201 26 4YY -0.04393 0.08235 0.01252 0.18550 -0.02187 27 4ZZ -0.00872 -0.07944 -0.02841 -0.15771 0.01479 28 4XY -0.00172 0.05479 0.02494 0.14262 -0.01960 29 4XZ 0.02811 -0.05216 -0.02449 0.11563 -0.00970 30 4YZ -0.01123 -0.09792 0.01292 -0.21386 0.00876 31 3 C 1S -0.00058 -0.00503 0.00205 0.00291 0.00556 32 2S -0.03726 -0.12720 -0.06255 -0.18995 0.17194 33 2PX 0.02781 -0.00333 0.02805 -0.04203 -0.03871 34 2PY -0.03146 0.05860 0.01546 0.10874 -0.01600 35 2PZ 0.00584 0.01575 0.01028 0.10136 0.01803 36 3S 0.07545 0.24006 -0.34920 0.22450 -0.70692 37 3PX -0.03661 -0.17310 0.16274 -0.23383 0.24155 38 3PY 0.10597 -0.14383 0.12922 -0.28135 0.15227 39 3PZ -0.05116 0.13292 -0.23665 0.15096 -0.13075 40 4XX 0.06108 -0.04355 -0.00878 -0.04705 -0.00201 41 4YY -0.04393 0.08235 -0.01251 0.18550 0.02187 42 4ZZ -0.00872 -0.07944 0.02839 -0.15771 -0.01479 43 4XY 0.00172 -0.05480 0.02493 -0.14262 -0.01960 44 4XZ 0.02810 -0.05217 0.02448 0.11563 0.00970 45 4YZ 0.01123 0.09791 0.01294 0.21386 0.00876 46 4 C 1S 0.01543 0.00390 -0.01523 0.01249 0.00473 47 2S 0.26197 -0.00756 -0.09678 -0.00848 -0.08194 48 2PX -0.05165 -0.02631 -0.00310 0.01183 0.01634 49 2PY 0.03937 0.02603 -0.01117 0.02804 0.05662 50 2PZ -0.03017 -0.01385 0.04088 0.01765 -0.01765 51 3S -0.82651 -0.45919 0.52193 -0.78143 0.25249 52 3PX 0.32031 -0.10932 0.10789 -0.27546 0.13267 53 3PY -0.18830 0.31028 -0.31013 0.36942 -0.23721 54 3PZ -0.06401 0.00215 -0.19465 -0.16439 -0.06542 55 4XX -0.02377 -0.00726 0.04968 0.05797 -0.00455 56 4YY -0.04132 0.03483 -0.01926 -0.01676 0.03281 57 4ZZ 0.06218 -0.05904 -0.01494 -0.04095 -0.02650 58 4XY 0.00402 0.14048 0.06438 0.36597 0.04623 59 4XZ -0.00374 -0.14593 0.07056 -0.13137 -0.02403 60 4YZ 0.03158 0.03699 0.15214 0.02911 -0.09956 61 5 H 1S 0.15169 -0.00268 -0.04233 0.06607 -0.03188 62 2S 0.22092 -0.11877 -0.01242 -0.05622 -0.08993 63 6 H 1S -0.01550 0.09781 0.03568 0.30964 -0.02758 64 2S -0.04042 0.05265 0.09489 0.04621 0.03800 65 7 H 1S -0.01550 0.09782 -0.03567 0.30964 0.02758 66 2S -0.04042 0.05267 -0.09488 0.04621 -0.03800 67 8 H 1S 0.15169 -0.00269 0.04232 0.06607 0.03188 68 2S 0.22093 -0.11877 0.01240 -0.05622 0.08993 69 9 C 1S -0.02085 -0.00776 0.00000 -0.01070 0.00000 70 2S -0.26803 -0.33434 -0.00003 -0.52763 0.00000 71 2PX 0.02015 0.00992 0.00000 -0.08369 0.00000 72 2PY 0.00000 0.00000 0.03376 0.00000 -0.08494 73 2PZ -0.00795 0.05287 0.00000 0.09109 0.00000 74 3S 0.87896 0.94745 0.00008 1.42940 0.00000 75 3PX -0.13725 0.30314 0.00002 1.05757 0.00000 76 3PY 0.00001 0.00000 -0.01453 0.00000 0.09906 77 3PZ -0.13121 -0.22205 -0.00002 -0.19495 0.00000 78 4XX 0.03298 -0.11172 -0.00001 -0.20664 0.00000 79 4YY 0.08932 0.03580 0.00000 0.02321 0.00000 80 4ZZ -0.11499 0.08458 0.00001 0.19142 0.00000 81 4XY 0.00000 0.00002 -0.14180 0.00000 0.06371 82 4XZ 0.09662 -0.02571 0.00000 -0.02343 0.00000 83 4YZ 0.00000 -0.00001 0.12177 0.00000 -0.13077 84 10 H 1S -0.13286 0.12951 0.00001 0.28064 0.00000 85 2S -0.02403 -0.09788 -0.00001 0.14296 0.00000 86 11 H 1S -0.06570 -0.09292 0.00000 -0.26384 0.00000 87 2S -0.03923 -0.10745 -0.00001 -0.34228 0.00000 88 12 C 1S -0.00102 -0.00542 0.01066 0.00257 -0.00783 89 2S -0.16403 -0.05900 0.36161 -0.02751 0.06956 90 2PX 0.12931 0.01370 -0.11809 0.04066 -0.13369 91 2PY -0.17925 0.00298 -0.06411 -0.01329 -0.02446 92 2PZ -0.04990 0.00526 0.09931 -0.00616 0.01912 93 3S -0.17333 0.28255 0.09148 -0.12329 0.42162 94 3PX 0.08222 -0.09199 -0.42524 -0.12432 0.36435 95 3PY 0.18389 0.09832 0.19111 -0.14429 -0.06886 96 3PZ 0.00054 -0.01352 0.10223 0.13534 -0.15817 97 4XX 0.09228 0.09336 -0.04004 -0.11214 -0.15764 98 4YY -0.11270 0.03890 0.02979 0.05634 0.04843 99 4ZZ 0.03127 -0.15258 0.05391 0.01689 0.10146 100 4XY -0.01122 -0.02416 -0.00173 -0.01713 -0.03064 101 4XZ -0.08043 0.04899 0.05507 -0.03659 0.03443 102 4YZ 0.12791 -0.08128 -0.02285 0.12754 0.06267 103 13 C 1S -0.00102 -0.00541 -0.01066 0.00257 0.00783 104 2S -0.16402 -0.05892 -0.36162 -0.02753 -0.06956 105 2PX 0.12932 0.01367 0.11809 0.04066 0.13369 106 2PY 0.17924 -0.00296 -0.06411 0.01329 -0.02446 107 2PZ -0.04990 0.00528 -0.09930 -0.00617 -0.01912 108 3S -0.17324 0.28259 -0.09144 -0.12326 -0.42163 109 3PX 0.08216 -0.09211 0.42523 -0.12432 -0.36435 110 3PY -0.18384 -0.09835 0.19108 0.14433 -0.06885 111 3PZ 0.00059 -0.01348 -0.10224 0.13535 0.15817 112 4XX 0.09228 0.09335 0.04006 -0.11214 0.15763 113 4YY -0.11270 0.03891 -0.02978 0.05634 -0.04843 114 4ZZ 0.03127 -0.15256 -0.05394 0.01689 -0.10146 115 4XY 0.01122 0.02416 -0.00173 0.01713 -0.03064 116 4XZ -0.08043 0.04900 -0.05506 -0.03660 -0.03443 117 4YZ -0.12790 0.08128 -0.02283 -0.12754 0.06267 118 14 C 1S -0.00535 0.00065 -0.02428 -0.00114 0.00542 119 2S 0.02526 0.04836 -0.50159 -0.10477 0.14306 120 2PX -0.25013 0.00686 -0.02956 -0.04576 -0.06766 121 2PY 0.07532 0.02139 -0.17209 -0.02363 -0.02470 122 2PZ 0.12586 -0.00886 0.01625 -0.02874 0.04255 123 3S -0.18164 -0.09425 0.03537 0.55972 -1.32608 124 3PX 0.87223 -0.15609 0.29326 0.04740 0.67541 125 3PY 0.39755 -0.09222 2.49956 -0.46933 0.43621 126 3PZ -0.49717 0.10176 -0.04312 -0.07813 -0.46021 127 4XX 0.02356 0.10666 0.08494 -0.03916 -0.03532 128 4YY -0.03854 0.00632 -0.08507 0.04033 0.02315 129 4ZZ 0.04906 -0.11069 0.03984 -0.00872 0.02174 130 4XY 0.18095 -0.00492 0.04966 0.02899 0.13776 131 4XZ 0.13753 0.07570 -0.13197 -0.07440 0.12649 132 4YZ -0.21343 -0.00295 -0.08508 -0.02558 -0.12415 133 15 C 1S -0.00603 0.00055 0.00078 -0.00275 -0.01236 134 2S 0.25540 0.01896 0.06252 -0.03722 0.08199 135 2PX 0.12484 -0.00344 0.00146 -0.02900 0.08474 136 2PY -0.13098 -0.00534 -0.08179 -0.02282 -0.06395 137 2PZ -0.06556 -0.00731 -0.01149 0.00980 -0.12159 138 3S 0.26563 -0.09968 -1.13175 0.04213 0.18008 139 3PX -0.22482 0.02596 -0.66733 0.05635 0.20026 140 3PY -0.19497 0.06708 -0.38398 0.10009 -0.63578 141 3PZ 0.10403 0.06246 0.50909 -0.02544 -0.04732 142 4XX -0.12831 0.14805 -0.00818 0.03388 0.12282 143 4YY 0.11298 -0.01440 0.03377 0.01052 0.02796 144 4ZZ 0.01134 -0.12286 -0.03375 -0.04959 -0.12204 145 4XY 0.17837 -0.02837 -0.00094 0.04843 0.03968 146 4XZ 0.24497 0.06713 0.00852 -0.07538 0.15132 147 4YZ -0.15477 -0.09346 0.02045 -0.01942 -0.03894 148 16 C 1S -0.00603 0.00056 -0.00078 -0.00275 0.01236 149 2S 0.25543 0.01898 -0.06251 -0.03721 -0.08199 150 2PX 0.12484 -0.00344 -0.00146 -0.02900 -0.08474 151 2PY 0.13098 0.00536 -0.08179 0.02282 -0.06395 152 2PZ -0.06556 -0.00731 0.01149 0.00980 0.12159 153 3S 0.26537 -0.09996 1.13173 0.04209 -0.18007 154 3PX -0.22494 0.02581 0.66733 0.05634 -0.20026 155 3PY 0.19506 -0.06698 -0.38400 -0.10008 -0.63578 156 3PZ 0.10411 0.06258 -0.50907 -0.02543 0.04732 157 4XX -0.12832 0.14805 0.00821 0.03388 -0.12281 158 4YY 0.11298 -0.01439 -0.03377 0.01052 -0.02796 159 4ZZ 0.01134 -0.12287 0.03373 -0.04959 0.12203 160 4XY -0.17837 0.02837 -0.00094 -0.04843 0.03968 161 4XZ 0.24497 0.06713 -0.00851 -0.07538 -0.15132 162 4YZ 0.15477 0.09345 0.02047 0.01942 -0.03894 163 17 C 1S -0.00536 0.00064 0.02428 -0.00114 -0.00542 164 2S 0.02522 0.04825 0.50160 -0.10476 -0.14307 165 2PX -0.25014 0.00685 0.02956 -0.04576 0.06766 166 2PY -0.07532 -0.02135 -0.17210 0.02363 -0.02470 167 2PZ 0.12586 -0.00886 -0.01625 -0.02874 -0.04255 168 3S -0.18145 -0.09421 -0.03540 0.55976 1.32609 169 3PX 0.87222 -0.15603 -0.29326 0.04738 -0.67541 170 3PY -0.39767 0.09167 2.49955 0.46935 0.43623 171 3PZ -0.49714 0.10176 0.04313 -0.07811 0.46020 172 4XX 0.02356 0.10668 -0.08492 -0.03916 0.03532 173 4YY -0.03854 0.00630 0.08507 0.04034 -0.02316 174 4ZZ 0.04906 -0.11068 -0.03987 -0.00872 -0.02174 175 4XY -0.18095 0.00491 0.04966 -0.02898 0.13776 176 4XZ 0.13753 0.07568 0.13198 -0.07439 -0.12649 177 4YZ 0.21343 0.00297 -0.08508 0.02558 -0.12415 178 18 H 1S -0.00263 -0.02908 0.04976 0.11533 -0.05095 179 2S -0.08280 -0.02180 -0.01789 0.06152 -0.10728 180 19 H 1S -0.00262 -0.02907 -0.04976 0.11533 0.05096 181 2S -0.08277 -0.02180 0.01789 0.06152 0.10729 182 20 H 1S -0.12215 -0.01110 -0.06437 -0.05142 -0.03435 183 2S -0.07433 0.01948 -0.17783 0.04101 -0.06404 184 21 H 1S -0.12217 -0.01112 0.06436 -0.05142 0.03434 185 2S -0.07437 0.01944 0.17784 0.04100 0.06404 186 22 O 1S -0.00784 0.00117 0.04915 0.01178 0.01515 187 2S -0.11618 0.03644 0.89608 0.26606 0.33474 188 2PX 0.12950 0.01529 -0.02043 0.03088 -0.06338 189 2PY -0.02142 -0.00599 -0.07168 -0.01854 -0.07655 190 2PZ -0.11209 -0.00760 0.04513 -0.01026 0.06341 191 3S 0.52885 -0.09989 -3.16221 -0.89876 -1.13165 192 3PX -0.29748 0.00071 -0.04072 -0.07988 0.15007 193 3PY -0.14030 0.03096 0.87463 0.27233 0.37088 194 3PZ 0.23104 -0.00823 -0.13793 -0.00383 -0.17297 195 4XX -0.07580 0.43581 0.02580 -0.14100 -0.27118 196 4YY -0.03688 0.02388 0.31983 0.08397 0.09130 197 4ZZ 0.04669 -0.44243 0.18827 0.19435 0.37582 198 4XY 0.09444 0.09069 -0.06844 -0.02158 -0.17002 199 4XZ 0.08401 0.21035 0.34291 -0.16409 -0.33551 200 4YZ -0.11232 -0.04157 0.10839 -0.07649 0.09226 201 23 O 1S -0.00784 0.00118 -0.04915 0.01178 -0.01515 202 2S -0.11618 0.03663 -0.89608 0.26604 -0.33473 203 2PX 0.12950 0.01529 0.02043 0.03088 0.06338 204 2PY 0.02142 0.00600 -0.07168 0.01854 -0.07655 205 2PZ -0.11209 -0.00759 -0.04513 -0.01027 -0.06341 206 3S 0.52883 -0.10058 3.16223 -0.89870 1.13163 207 3PX -0.29748 0.00070 0.04073 -0.07989 -0.15006 208 3PY 0.14031 -0.03115 0.87463 -0.27231 0.37088 209 3PZ 0.23105 -0.00826 0.13793 -0.00382 0.17297 210 4XX -0.07581 0.43581 -0.02571 -0.14101 0.27118 211 4YY -0.03688 0.02395 -0.31983 0.08397 -0.09130 212 4ZZ 0.04669 -0.44239 -0.18837 0.19435 -0.37582 213 4XY -0.09443 -0.09068 -0.06847 0.02158 -0.17002 214 4XZ 0.08401 0.21042 -0.34286 -0.16410 0.33551 215 4YZ 0.11232 0.04154 0.10841 0.07650 0.09226 151 152 153 154 155 V V V V V Eigenvalues -- 1.83856 1.84605 1.87610 1.89140 1.89570 1 1 C 1S 0.00337 0.00387 -0.00940 0.02909 0.00481 2 2S -0.00640 -0.18106 0.26653 0.32463 0.38861 3 2PX -0.07912 0.04206 -0.09939 -0.08145 -0.06308 4 2PY -0.05159 -0.01254 0.12694 -0.04246 0.16578 5 2PZ 0.02767 -0.02561 0.13274 0.00258 0.05905 6 3S -0.34015 0.39386 -0.49874 -1.64338 -1.40348 7 3PX -0.01054 -0.08615 0.06680 -0.11438 -0.42235 8 3PY -0.15478 -0.03451 -0.69434 -0.97319 -1.09507 9 3PZ 0.19836 0.01659 -0.21604 0.45108 0.30054 10 4XX -0.04233 -0.00430 0.04036 -0.10268 0.01801 11 4YY 0.06517 0.00957 -0.02331 0.14428 -0.11999 12 4ZZ -0.07819 0.02232 -0.02512 -0.10706 0.06539 13 4XY 0.00781 -0.03151 0.06352 0.14942 0.17929 14 4XZ -0.21043 -0.01015 0.13960 -0.19275 -0.02107 15 4YZ -0.00851 0.11018 -0.30041 -0.10080 -0.09802 16 2 C 1S -0.01199 -0.00074 -0.00200 -0.01691 -0.00887 17 2S -0.13178 0.12300 -0.26514 -0.03769 -0.36078 18 2PX 0.02175 -0.04396 0.05478 -0.01069 0.07178 19 2PY -0.05269 0.04064 -0.11067 0.00848 -0.06648 20 2PZ -0.03578 0.02629 -0.02210 -0.00641 -0.08473 21 3S 0.29225 -0.26680 1.06517 0.85510 2.21542 22 3PX -0.21686 0.16626 -0.34473 -0.48141 -0.84717 23 3PY 0.08851 -0.05885 0.61710 -0.00453 0.75802 24 3PZ 0.16251 -0.07600 0.19939 0.29901 0.77355 25 4XX 0.00275 -0.02549 0.05782 0.18477 -0.00761 26 4YY 0.05018 0.03386 -0.07122 -0.13591 -0.08007 27 4ZZ -0.12419 -0.00887 0.03018 -0.08522 0.07929 28 4XY 0.07211 0.03666 -0.11123 0.02922 -0.01766 29 4XZ -0.18043 0.00703 -0.01926 -0.21251 -0.07588 30 4YZ -0.07838 -0.00218 0.01050 -0.03505 0.02296 31 3 C 1S -0.01199 0.00074 0.00200 -0.01691 0.00887 32 2S -0.13178 -0.12300 0.26515 -0.03763 0.36078 33 2PX 0.02175 0.04396 -0.05478 -0.01070 -0.07177 34 2PY 0.05269 0.04064 -0.11067 -0.00850 -0.06647 35 2PZ -0.03578 -0.02628 0.02210 -0.00640 0.08473 36 3S 0.29219 0.26680 -1.06522 0.85475 -2.21553 37 3PX -0.21684 -0.16626 0.34476 -0.48128 0.84724 38 3PY -0.08849 -0.05885 0.61711 0.00467 0.75800 39 3PZ 0.16249 0.07600 -0.19941 0.29891 -0.77359 40 4XX 0.00275 0.02549 -0.05784 0.18476 0.00758 41 4YY 0.05018 -0.03386 0.07122 -0.13589 0.08009 42 4ZZ -0.12419 0.00887 -0.03017 -0.08523 -0.07928 43 4XY -0.07211 0.03665 -0.11123 -0.02923 -0.01764 44 4XZ -0.18043 -0.00703 0.01928 -0.21250 0.07590 45 4YZ 0.07838 -0.00217 0.01050 0.03506 0.02295 46 4 C 1S 0.00337 -0.00387 0.00940 0.02909 -0.00482 47 2S -0.00640 0.18106 -0.26655 0.32456 -0.38868 48 2PX -0.07912 -0.04206 0.09939 -0.08143 0.06310 49 2PY 0.05160 -0.01254 0.12694 0.04248 0.16577 50 2PZ 0.02767 0.02561 -0.13274 0.00256 -0.05906 51 3S -0.34012 -0.39386 0.49884 -1.64317 1.40375 52 3PX -0.01052 0.08615 -0.06679 -0.11433 0.42233 53 3PY 0.15475 -0.03451 -0.69441 0.97301 -1.09521 54 3PZ 0.19835 -0.01660 0.21601 0.45106 -0.30059 55 4XX -0.04232 0.00430 -0.04035 -0.10268 -0.01799 56 4YY 0.06517 -0.00957 0.02330 0.14429 0.11997 57 4ZZ -0.07819 -0.02232 0.02513 -0.10707 -0.06539 58 4XY -0.00781 -0.03151 0.06352 -0.14940 0.17931 59 4XZ -0.21043 0.01015 -0.13959 -0.19276 0.02108 60 4YZ 0.00851 0.11018 -0.30041 0.10077 -0.09804 61 5 H 1S -0.08126 0.01905 -0.15809 -0.24173 -0.13480 62 2S -0.02119 -0.12304 -0.17193 -0.20715 -0.22557 63 6 H 1S 0.02673 0.02420 -0.03939 -0.04592 0.01697 64 2S 0.08667 -0.04845 0.15772 0.12637 0.32533 65 7 H 1S 0.02673 -0.02419 0.03939 -0.04592 -0.01698 66 2S 0.08666 0.04845 -0.15773 0.12632 -0.32534 67 8 H 1S -0.08126 -0.01905 0.15811 -0.24170 0.13482 68 2S -0.02119 0.12305 0.17194 -0.20711 0.22560 69 9 C 1S 0.01133 0.00000 0.00000 -0.01333 0.00000 70 2S 0.07863 -0.00001 0.00000 0.08346 0.00000 71 2PX -0.03345 0.00000 0.00000 0.02086 0.00000 72 2PY 0.00000 0.07735 -0.29913 -0.00002 -0.23421 73 2PZ 0.04735 0.00000 0.00000 -0.08355 0.00001 74 3S -0.25392 0.00001 -0.00003 0.98521 -0.00011 75 3PX 0.11116 0.00000 -0.00001 0.31344 -0.00002 76 3PY 0.00000 0.02426 0.01516 0.00000 0.18421 77 3PZ -0.25573 0.00000 0.00002 -0.67648 0.00003 78 4XX -0.09237 0.00000 0.00001 -0.14745 0.00000 79 4YY 0.00448 0.00000 0.00000 -0.12125 0.00002 80 4ZZ 0.07872 0.00000 -0.00001 0.25797 -0.00002 81 4XY 0.00000 -0.13027 0.16228 0.00001 0.20086 82 4XZ -0.09994 0.00000 0.00001 -0.20622 0.00001 83 4YZ 0.00000 0.09672 -0.36565 -0.00002 -0.19408 84 10 H 1S 0.00480 0.00000 0.00000 -0.05460 0.00001 85 2S 0.27348 0.00000 -0.00001 0.26387 0.00000 86 11 H 1S 0.10466 0.00000 0.00000 0.04155 0.00001 87 2S 0.02583 0.00000 0.00000 0.00629 0.00001 88 12 C 1S -0.02122 0.00640 -0.00907 -0.03773 0.02528 89 2S -0.21104 -0.11874 -0.14791 -0.38419 -0.05736 90 2PX -0.02371 0.09665 -0.11646 -0.10654 0.03402 91 2PY -0.00088 -0.05783 0.00200 -0.00141 -0.13660 92 2PZ -0.05070 -0.07080 0.03387 -0.02058 -0.07882 93 3S 1.06567 -0.79533 0.15413 1.68371 0.21035 94 3PX -0.06053 0.25254 0.22982 0.02057 0.18132 95 3PY 0.49047 0.28089 0.69064 0.43433 -0.99983 96 3PZ -0.10563 -0.35394 -0.24470 0.45867 0.14177 97 4XX 0.12535 -0.03925 0.03037 -0.09720 0.08234 98 4YY -0.00311 -0.03254 0.00614 -0.13454 0.00737 99 4ZZ -0.10494 0.06042 -0.00604 0.26630 -0.07134 100 4XY 0.07398 0.02521 0.02289 0.06188 -0.11181 101 4XZ 0.02190 -0.15070 0.12563 0.03646 -0.09021 102 4YZ -0.28106 0.07281 0.02888 0.08152 0.01030 103 13 C 1S -0.02122 -0.00640 0.00907 -0.03773 -0.02527 104 2S -0.21105 0.11874 0.14792 -0.38419 0.05748 105 2PX -0.02371 -0.09665 0.11647 -0.10654 -0.03402 106 2PY 0.00088 -0.05782 0.00199 0.00140 -0.13660 107 2PZ -0.05070 0.07080 -0.03387 -0.02057 0.07884 108 3S 1.06568 0.79531 -0.15420 1.68377 -0.21078 109 3PX -0.06055 -0.25254 -0.22982 0.02051 -0.18124 110 3PY -0.49046 0.28089 0.69066 -0.43435 -0.99976 111 3PZ -0.10561 0.35394 0.24467 0.45871 -0.14189 112 4XX 0.12535 0.03924 -0.03036 -0.09721 -0.08236 113 4YY -0.00311 0.03254 -0.00613 -0.13454 -0.00735 114 4ZZ -0.10494 -0.06042 0.00602 0.26631 0.07132 115 4XY -0.07399 0.02522 0.02289 -0.06189 -0.11180 116 4XZ 0.02191 0.15070 -0.12564 0.03646 0.09025 117 4YZ 0.28106 0.07280 0.02889 -0.08152 0.01030 118 14 C 1S -0.00256 -0.00382 -0.01503 0.00886 -0.00606 119 2S 0.22602 -0.03805 -0.35015 0.25588 -0.07303 120 2PX 0.07968 0.09556 -0.05233 0.03257 0.06183 121 2PY 0.06709 -0.00481 -0.06764 0.03080 -0.11018 122 2PZ 0.03306 -0.03531 -0.02437 -0.05473 -0.03865 123 3S -0.69490 0.52569 1.81108 -0.74194 -0.81468 124 3PX -0.35579 -1.06148 0.03735 -0.96542 -0.92339 125 3PY 0.17006 -0.49378 -0.78009 -0.62359 2.28900 126 3PZ 0.61473 0.50174 -0.06622 0.10416 0.91540 127 4XX -0.03694 -0.07041 0.00608 -0.13390 -0.02861 128 4YY -0.00016 0.02809 0.07935 0.11406 0.02786 129 4ZZ 0.03731 0.02420 -0.07942 -0.00913 0.05395 130 4XY 0.07643 -0.21835 0.04126 -0.10696 -0.19841 131 4XZ 0.13052 -0.14591 -0.15982 0.07225 0.15738 132 4YZ 0.13243 0.14444 0.01306 -0.07981 0.13009 133 15 C 1S 0.00106 0.01244 0.00355 -0.00195 0.01853 134 2S 0.11804 -0.12422 0.06850 0.06447 0.01870 135 2PX 0.01724 -0.14859 -0.01119 0.02943 -0.05339 136 2PY -0.01772 0.06171 0.00503 -0.00495 -0.06258 137 2PZ 0.01590 0.06648 0.00008 0.01146 0.04248 138 3S -0.38437 -0.13381 0.18115 -0.22597 -2.40484 139 3PX -0.21691 -0.11327 -0.20171 0.10204 -1.06268 140 3PY 0.12916 0.58986 0.57739 0.21311 -0.87885 141 3PZ -0.02561 0.25440 0.18330 0.04587 0.75232 142 4XX -0.27395 0.14956 0.04017 0.21725 0.02448 143 4YY -0.00890 -0.03344 0.00756 -0.05749 -0.06107 144 4ZZ 0.28245 -0.14411 -0.07160 -0.15017 0.02662 145 4XY 0.15764 -0.08005 -0.01889 -0.02609 0.00962 146 4XZ -0.05031 -0.12873 -0.06388 -0.00814 -0.11265 147 4YZ -0.00146 -0.00011 0.00684 -0.10818 -0.01379 148 16 C 1S 0.00106 -0.01244 -0.00355 -0.00195 -0.01854 149 2S 0.11804 0.12422 -0.06850 0.06447 -0.01870 150 2PX 0.01724 0.14859 0.01119 0.02944 0.05337 151 2PY 0.01772 0.06171 0.00503 0.00494 -0.06259 152 2PZ 0.01590 -0.06648 -0.00008 0.01145 -0.04247 153 3S -0.38438 0.13382 -0.18115 -0.22582 2.40496 154 3PX -0.21692 0.11328 0.20171 0.10213 1.06261 155 3PY -0.12917 0.58986 0.57738 -0.21313 -0.87869 156 3PZ -0.02561 -0.25440 -0.18331 0.04579 -0.75228 157 4XX -0.27396 -0.14956 -0.04019 0.21724 -0.02448 158 4YY -0.00890 0.03344 -0.00755 -0.05749 0.06107 159 4ZZ 0.28246 0.14411 0.07161 -0.15017 -0.02661 160 4XY -0.15764 -0.08005 -0.01889 0.02609 0.00957 161 4XZ -0.05032 0.12873 0.06388 -0.00812 0.11262 162 4YZ 0.00146 -0.00011 0.00683 0.10818 -0.01377 163 17 C 1S -0.00256 0.00382 0.01502 0.00886 0.00606 164 2S 0.22601 0.03805 0.35014 0.25590 0.07301 165 2PX 0.07968 -0.09556 0.05233 0.03256 -0.06184 166 2PY -0.06709 -0.00480 -0.06764 -0.03081 -0.11018 167 2PZ 0.03306 0.03531 0.02437 -0.05472 0.03866 168 3S -0.69484 -0.52568 -1.81103 -0.74195 0.81469 169 3PX -0.35579 1.06148 -0.03731 -0.96532 0.92364 170 3PY -0.17004 -0.49379 -0.78010 0.62371 2.28862 171 3PZ 0.61474 -0.50175 0.06622 0.10408 -0.91549 172 4XX -0.03694 0.07041 -0.00607 -0.13390 0.02862 173 4YY -0.00016 -0.02809 -0.07936 0.11405 -0.02788 174 4ZZ 0.03731 -0.02420 0.07941 -0.00913 -0.05393 175 4XY -0.07643 -0.21835 0.04125 0.10695 -0.19840 176 4XZ 0.13052 0.14590 0.15981 0.07225 -0.15736 177 4YZ -0.13243 0.14444 0.01305 0.07982 0.13009 178 18 H 1S -0.31240 -0.11844 -0.11596 -0.14409 0.11737 179 2S -0.15849 -0.18469 -0.23582 -0.13506 0.07943 180 19 H 1S -0.31240 0.11844 0.11596 -0.14409 -0.11732 181 2S -0.15848 0.18469 0.23583 -0.13504 -0.07942 182 20 H 1S -0.05913 -0.02715 -0.00358 -0.02678 -0.21253 183 2S 0.01293 0.02674 0.02033 0.06327 -0.36436 184 21 H 1S -0.05913 0.02715 0.00359 -0.02676 0.21243 185 2S 0.01293 -0.02674 -0.02033 0.06330 0.36432 186 22 O 1S -0.00728 -0.01091 -0.02339 0.00907 0.03876 187 2S -0.13037 -0.16505 -0.39471 0.10232 0.77015 188 2PX 0.04306 0.13189 -0.01450 -0.06966 0.10875 189 2PY 0.03742 0.01046 -0.00296 0.04558 -0.09480 190 2PZ 0.06427 -0.07015 0.00564 -0.06099 -0.08113 191 3S 0.49758 0.72891 1.61123 -0.48715 -2.84678 192 3PX 0.00219 -0.31113 0.08555 0.20907 -0.37384 193 3PY -0.17067 -0.21075 -0.47574 0.10652 0.77482 194 3PZ -0.15433 0.18277 0.02113 0.06104 0.17772 195 4XX -0.16783 -0.42939 -0.17533 -0.05891 0.17018 196 4YY 0.01936 -0.03551 -0.10733 0.02247 0.25773 197 4ZZ 0.06202 0.36282 0.06710 0.08740 -0.00134 198 4XY 0.10303 0.13447 0.02762 -0.14033 0.12263 199 4XZ -0.01791 0.00945 0.31392 0.04549 -0.08419 200 4YZ 0.19038 -0.07651 0.08363 -0.14962 -0.13210 201 23 O 1S -0.00728 0.01091 0.02339 0.00907 -0.03877 202 2S -0.13038 0.16506 0.39471 0.10228 -0.77026 203 2PX 0.04306 -0.13189 0.01451 -0.06967 -0.10875 204 2PY -0.03742 0.01047 -0.00296 -0.04560 -0.09480 205 2PZ 0.06427 0.07014 -0.00563 -0.06099 0.08113 206 3S 0.49763 -0.72892 -1.61123 -0.48703 2.84721 207 3PX 0.00219 0.31113 -0.08557 0.20911 0.37384 208 3PY 0.17068 -0.21076 -0.47574 -0.10648 0.77493 209 3PZ -0.15432 -0.18277 -0.02114 0.06102 -0.17771 210 4XX -0.16783 0.42939 0.17534 -0.05891 -0.17018 211 4YY 0.01936 0.03551 0.10733 0.02245 -0.25777 212 4ZZ 0.06201 -0.36282 -0.06710 0.08739 0.00131 213 4XY -0.10303 0.13446 0.02761 0.14035 0.12261 214 4XZ -0.01791 -0.00945 -0.31391 0.04548 0.08417 215 4YZ -0.19037 -0.07651 0.08362 0.14962 -0.13212 156 157 158 159 160 V V V V V Eigenvalues -- 1.89791 1.90943 1.93126 1.95697 1.98325 1 1 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01427 2 2S -0.16875 0.07903 0.07455 -0.44108 0.35243 3 2PX 0.10255 0.01043 0.10048 -0.15543 0.12805 4 2PY 0.00723 -0.01621 0.00250 -0.04039 0.08591 5 2PZ -0.03931 -0.07777 -0.11059 0.19700 -0.06191 6 3S 0.59382 -0.11656 -0.33391 0.98688 -1.18215 7 3PX -0.17798 0.09060 -0.30439 0.06388 -0.34701 8 3PY 0.15281 0.05315 -0.20631 0.20915 -0.81884 9 3PZ -0.04770 0.09791 0.40448 -0.33457 0.12525 10 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02105 11 4YY 0.01016 0.05105 0.11817 -0.11833 0.04092 12 4ZZ -0.02307 0.03270 0.01307 -0.03770 -0.05326 13 4XY -0.05349 -0.03284 -0.04735 0.07132 -0.02384 14 4XZ -0.00289 -0.06252 -0.06267 -0.04845 0.19939 15 4YZ 0.06848 0.11265 0.15287 -0.12295 -0.01401 16 2 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 17 2S 0.00223 -0.06442 -0.04488 -0.05813 0.29014 18 2PX 0.04060 0.03119 -0.02274 0.03135 -0.15702 19 2PY -0.02518 -0.05970 -0.10958 0.08729 -0.04191 20 2PZ -0.04830 -0.03123 0.00636 0.01192 0.08821 21 3S -0.17859 0.03717 0.36200 -0.40247 0.21081 22 3PX 0.12648 -0.01071 -0.11077 -0.05933 0.00269 23 3PY 0.03501 0.07680 0.09960 0.06868 0.03879 24 3PZ -0.01643 0.00814 0.08273 0.07146 0.02168 25 4XX -0.09274 -0.08650 -0.10184 0.16944 0.03596 26 4YY 0.05641 0.07926 0.15456 -0.16944 0.06227 27 4ZZ 0.04737 -0.00787 -0.08177 0.02770 -0.10286 28 4XY -0.09791 -0.10405 -0.10695 0.27207 -0.05291 29 4XZ 0.00299 -0.03823 0.02246 -0.03523 0.20536 30 4YZ 0.08993 0.06033 0.02743 -0.21664 0.01613 31 3 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 32 2S 0.00217 -0.06442 -0.04487 -0.05814 0.29014 33 2PX 0.04061 0.03119 -0.02274 0.03135 -0.15703 34 2PY 0.02519 0.05970 0.10958 -0.08729 0.04191 35 2PZ -0.04832 -0.03123 0.00636 0.01192 0.08821 36 3S -0.17821 0.03718 0.36196 -0.40239 0.21087 37 3PX 0.12633 -0.01072 -0.11076 -0.05936 0.00267 38 3PY -0.03514 -0.07680 -0.09958 -0.06871 -0.03880 39 3PZ -0.01629 0.00815 0.08272 0.07148 0.02170 40 4XX -0.09274 -0.08651 -0.10185 0.16944 0.03596 41 4YY 0.05640 0.07926 0.15456 -0.16944 0.06227 42 4ZZ 0.04739 -0.00787 -0.08177 0.02770 -0.10286 43 4XY 0.09791 0.10405 0.10695 -0.27207 0.05291 44 4XZ 0.00298 -0.03823 0.02246 -0.03523 0.20536 45 4YZ -0.08993 -0.06033 -0.02743 0.21664 -0.01613 46 4 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01427 47 2S -0.16869 0.07903 0.07454 -0.44106 0.35245 48 2PX 0.10254 0.01043 0.10048 -0.15544 0.12806 49 2PY -0.00725 0.01621 -0.00250 0.04038 -0.08591 50 2PZ -0.03931 -0.07777 -0.11059 0.19700 -0.06191 51 3S 0.59357 -0.11657 -0.33387 0.98681 -1.18222 52 3PX -0.17807 0.09059 -0.30439 0.06386 -0.34702 53 3PY -0.15262 -0.05314 0.20629 -0.20910 0.81889 54 3PZ -0.04764 0.09791 0.40448 -0.33455 0.12527 55 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02105 56 4YY 0.01014 0.05104 0.11817 -0.11832 0.04093 57 4ZZ -0.02306 0.03271 0.01307 -0.03770 -0.05326 58 4XY 0.05346 0.03284 0.04735 -0.07132 0.02384 59 4XZ -0.00289 -0.06253 -0.06267 -0.04845 0.19939 60 4YZ -0.06847 -0.11265 -0.15287 0.12295 0.01401 61 5 H 1S -0.02725 0.02040 -0.09205 -0.05270 -0.10284 62 2S 0.03381 0.04496 -0.01252 0.03161 -0.14565 63 6 H 1S -0.08507 -0.08722 -0.04740 0.27532 0.04663 64 2S 0.03122 0.04942 0.06526 0.01443 -0.01651 65 7 H 1S -0.08506 -0.08722 -0.04740 0.27533 0.04663 66 2S 0.03127 0.04943 0.06526 0.01444 -0.01651 67 8 H 1S -0.02727 0.02040 -0.09205 -0.05271 -0.10284 68 2S 0.03377 0.04497 -0.01251 0.03159 -0.14566 69 9 C 1S 0.01261 0.01504 0.02914 -0.00850 -0.03572 70 2S 0.02033 -0.04525 0.05780 0.26326 -0.34112 71 2PX 0.01859 -0.03308 -0.10198 -0.01360 -0.02904 72 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.07868 0.02978 0.05806 -0.05693 0.03961 74 3S -0.61984 -0.12625 -0.50674 -0.61673 1.64889 75 3PX -0.06146 -0.15510 0.29519 -0.06163 0.70290 76 3PY -0.00001 0.00000 -0.00001 0.00000 0.00000 77 3PZ -0.02950 -0.11565 -0.27715 0.40026 -0.75067 78 4XX -0.04789 -0.11757 -0.26666 0.17558 0.00573 79 4YY 0.12152 0.21935 0.11020 -0.23323 -0.34032 80 4ZZ -0.08851 -0.12272 0.13074 0.02622 0.34861 81 4XY -0.00001 0.00000 0.00000 0.00000 0.00001 82 4XZ 0.03319 -0.10136 -0.27279 -0.00127 -0.05823 83 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.05625 0.02978 0.12055 -0.10292 -0.11869 85 2S 0.10521 -0.01497 0.22667 0.04471 0.34869 86 11 H 1S 0.08257 0.22034 0.26670 -0.06021 -0.24540 87 2S 0.11167 -0.00026 -0.04856 -0.03133 -0.02465 88 12 C 1S 0.02432 0.00933 0.00692 0.03490 -0.01830 89 2S 0.47158 0.18976 -0.15557 0.44593 -0.11400 90 2PX -0.07553 -0.01014 -0.02076 0.05474 -0.00709 91 2PY 0.00404 -0.08139 -0.07668 -0.00969 0.10526 92 2PZ 0.09718 -0.01025 -0.02591 0.03817 -0.01542 93 3S -1.49407 -0.22684 0.30043 -1.57745 0.64666 94 3PX 0.48943 0.07405 0.18729 0.15311 0.30853 95 3PY -0.15795 -0.00003 0.46432 -0.26000 0.30417 96 3PZ -0.44556 0.05944 0.00366 -0.28380 -0.20982 97 4XX -0.13977 0.15509 0.00569 -0.08237 -0.27945 98 4YY 0.06844 -0.22622 0.00630 0.04372 0.18686 99 4ZZ 0.04497 0.13658 0.05057 0.01857 0.03903 100 4XY -0.02809 0.09153 -0.10228 -0.09512 0.15722 101 4XZ 0.23042 0.13400 0.21280 0.21072 -0.05734 102 4YZ 0.04344 0.02412 0.11336 0.07244 -0.26288 103 13 C 1S 0.02433 0.00933 0.00692 0.03490 -0.01829 104 2S 0.47157 0.18975 -0.15559 0.44594 -0.11395 105 2PX -0.07553 -0.01014 -0.02076 0.05474 -0.00709 106 2PY -0.00401 0.08139 0.07668 0.00969 -0.10525 107 2PZ 0.09717 -0.01025 -0.02591 0.03817 -0.01542 108 3S -1.49403 -0.22678 0.30052 -1.57752 0.64638 109 3PX 0.48946 0.07403 0.18726 0.15313 0.30859 110 3PY 0.15812 0.00007 -0.46427 0.25999 -0.30425 111 3PZ -0.44553 0.05947 0.00370 -0.28382 -0.20989 112 4XX -0.13976 0.15509 0.00569 -0.08237 -0.27946 113 4YY 0.06844 -0.22622 0.00630 0.04372 0.18687 114 4ZZ 0.04496 0.13657 0.05057 0.01857 0.03903 115 4XY 0.02811 -0.09154 0.10228 0.09512 -0.15720 116 4XZ 0.23040 0.13400 0.21280 0.21072 -0.05733 117 4YZ -0.04345 -0.02412 -0.11336 -0.07244 0.26288 118 14 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 119 2S 0.06290 -0.11569 0.01135 -0.18255 0.21496 120 2PX -0.03346 0.01129 0.05512 -0.00332 0.12674 121 2PY 0.01618 0.01564 -0.01070 -0.01973 0.14003 122 2PZ 0.08172 -0.00969 -0.01602 0.01377 -0.03461 123 3S -0.44573 0.86667 -1.29697 0.07579 -0.31866 124 3PX 0.78928 -0.24849 -0.12365 0.59462 -0.65586 125 3PY 1.70527 -0.23192 1.47716 1.49928 0.85233 126 3PZ -0.50511 0.13945 0.12348 -0.16042 0.30580 127 4XX -0.03053 0.02245 0.10968 0.16163 -0.00861 128 4YY -0.00714 -0.02278 -0.21041 -0.21010 -0.10560 129 4ZZ 0.05063 0.06832 0.16197 0.15338 0.13951 130 4XY -0.07217 0.00344 -0.03715 -0.03114 -0.07032 131 4XZ 0.10861 0.04359 -0.01436 0.01748 0.07260 132 4YZ -0.00317 -0.02097 -0.04737 -0.01799 -0.03612 133 15 C 1S -0.00876 0.01325 0.00638 0.01460 0.01387 134 2S 0.04121 0.18679 -0.07394 0.06402 0.21475 135 2PX -0.11723 0.02474 0.03070 -0.02413 0.01549 136 2PY 0.08783 -0.02026 0.01364 0.06209 0.01325 137 2PZ 0.08011 -0.01233 -0.01646 -0.00263 -0.00148 138 3S 0.67867 -0.76094 -0.05583 -0.08720 -0.83544 139 3PX -0.32132 -0.01286 -0.14288 -0.22344 -0.26102 140 3PY -0.95068 0.44085 -0.25570 -0.39207 0.16445 141 3PZ 0.24046 0.01613 0.09556 0.14379 0.23913 142 4XX 0.15467 -0.00657 -0.11202 -0.02796 -0.00404 143 4YY -0.05470 -0.06921 0.12924 0.00187 -0.00457 144 4ZZ -0.06993 0.08962 -0.03118 0.05963 -0.00343 145 4XY 0.31408 -0.03141 -0.17975 -0.03785 0.03564 146 4XZ -0.24433 0.17490 0.13393 0.13461 0.21947 147 4YZ -0.21685 0.01568 0.13117 0.06136 -0.05103 148 16 C 1S -0.00875 0.01325 0.00638 0.01460 0.01387 149 2S 0.04121 0.18680 -0.07393 0.06402 0.21473 150 2PX -0.11724 0.02474 0.03070 -0.02413 0.01549 151 2PY -0.08781 0.02026 -0.01365 -0.06209 -0.01324 152 2PZ 0.08012 -0.01233 -0.01646 -0.00263 -0.00148 153 3S 0.67826 -0.76105 -0.05592 -0.08719 -0.83526 154 3PX -0.32148 -0.01291 -0.14291 -0.22344 -0.26097 155 3PY 0.95085 -0.44080 0.25573 0.39207 -0.16453 156 3PZ 0.24058 0.01616 0.09558 0.14379 0.23911 157 4XX 0.15467 -0.00657 -0.11202 -0.02795 -0.00403 158 4YY -0.05470 -0.06921 0.12924 0.00186 -0.00457 159 4ZZ -0.06993 0.08963 -0.03118 0.05963 -0.00344 160 4XY -0.31408 0.03141 0.17975 0.03785 -0.03565 161 4XZ -0.24435 0.17490 0.13393 0.13460 0.21946 162 4YZ 0.21685 -0.01568 -0.13118 -0.06136 0.05103 163 17 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 164 2S 0.06290 -0.11570 0.01135 -0.18255 0.21499 165 2PX -0.03345 0.01129 0.05512 -0.00332 0.12674 166 2PY -0.01616 -0.01564 0.01070 0.01974 -0.14003 167 2PZ 0.08172 -0.00969 -0.01602 0.01377 -0.03461 168 3S -0.44591 0.86669 -1.29695 0.07574 -0.31879 169 3PX 0.78910 -0.24849 -0.12367 0.59457 -0.65592 170 3PY -1.70569 0.23183 -1.47725 -1.49929 -0.85218 171 3PZ -0.50496 0.13946 0.12349 -0.16041 0.30580 172 4XX -0.03054 0.02245 0.10968 0.16163 -0.00862 173 4YY -0.00714 -0.02279 -0.21041 -0.21010 -0.10557 174 4ZZ 0.05064 0.06833 0.16197 0.15337 0.13949 175 4XY 0.07221 -0.00344 0.03715 0.03114 0.07032 176 4XZ 0.10864 0.04360 -0.01435 0.01748 0.07260 177 4YZ 0.00315 0.02097 0.04737 0.01799 0.03612 178 18 H 1S 0.14646 0.03205 0.06184 0.24196 -0.36795 179 2S -0.06239 0.08099 -0.10559 0.12331 -0.15558 180 19 H 1S 0.14648 0.03205 0.06185 0.24196 -0.36794 181 2S -0.06238 0.08101 -0.10558 0.12330 -0.15560 182 20 H 1S -0.61583 0.20854 0.15950 0.02711 0.07697 183 2S -0.21392 0.14105 -0.14117 -0.11770 -0.02201 184 21 H 1S -0.61587 0.20853 0.15950 0.02710 0.07696 185 2S -0.21398 0.14103 -0.14119 -0.11770 -0.02199 186 22 O 1S -0.02979 0.01252 -0.03347 -0.02280 -0.01666 187 2S -0.56645 0.10296 -0.45311 -0.40085 -0.23928 188 2PX -0.03704 -0.00252 0.00380 0.01007 -0.00922 189 2PY 0.05045 -0.01314 -0.10434 -0.09226 -0.05937 190 2PZ 0.00519 -0.00252 0.00876 0.02473 -0.02129 191 3S 2.13862 -0.54309 2.10046 1.69608 1.08394 192 3PX 0.03025 0.01474 0.09153 -0.02145 0.15285 193 3PY -0.58210 0.15187 -0.53732 -0.41604 -0.27175 194 3PZ 0.10560 -0.02163 0.03587 0.03238 0.03006 195 4XX -0.06852 0.22585 -0.14712 0.05486 0.02451 196 4YY -0.17379 0.00139 -0.17054 -0.17718 -0.08450 197 4ZZ -0.07109 -0.11659 0.08553 -0.03184 -0.05195 198 4XY 0.03447 -0.06230 0.00025 0.03578 0.00361 199 4XZ -0.02902 -0.48628 0.25450 -0.13418 -0.10425 200 4YZ -0.00434 -0.02170 0.04287 0.01978 -0.09504 201 23 O 1S -0.02978 0.01252 -0.03347 -0.02280 -0.01666 202 2S -0.56631 0.10299 -0.45309 -0.40084 -0.23928 203 2PX -0.03703 -0.00252 0.00380 0.01007 -0.00922 204 2PY -0.05043 0.01314 0.10434 0.09227 0.05939 205 2PZ 0.00518 -0.00252 0.00876 0.02473 -0.02129 206 3S 2.13809 -0.54318 2.10039 1.69605 1.08402 207 3PX 0.03019 0.01473 0.09154 -0.02145 0.15285 208 3PY 0.58196 -0.15189 0.53730 0.41603 0.27175 209 3PZ 0.10563 -0.02163 0.03587 0.03239 0.03006 210 4XX -0.06849 0.22585 -0.14712 0.05486 0.02452 211 4YY -0.17374 0.00140 -0.17053 -0.17717 -0.08451 212 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05195 213 4XY -0.03449 0.06230 -0.00025 -0.03579 -0.00361 214 4XZ -0.02903 -0.48628 0.25449 -0.13418 -0.10425 215 4YZ 0.00436 0.02171 -0.04287 -0.01977 0.09503 161 162 163 164 165 V V V V V Eigenvalues -- 1.98965 2.03350 2.05074 2.06064 2.07008 1 1 C 1S 0.03562 -0.06186 0.01641 0.01277 -0.01191 2 2S 0.24767 -0.67218 0.24139 0.41807 -0.15642 3 2PX 0.03353 -0.04995 0.03184 0.02428 0.02934 4 2PY -0.02123 -0.03334 -0.01714 0.05901 -0.04970 5 2PZ -0.04436 0.04817 -0.05658 -0.04651 -0.02012 6 3S -1.05189 2.76233 -1.16102 -1.37627 0.70308 7 3PX -0.20081 0.73214 -0.08940 -0.03271 -0.06048 8 3PY -0.60076 2.02411 -0.65016 -0.70596 0.05872 9 3PZ 0.33161 -0.81757 -0.11334 0.05104 -0.08916 10 4XX -0.03681 0.16678 -0.04364 -0.01499 -0.07231 11 4YY 0.14875 -0.40999 0.03804 0.05156 0.21073 12 4ZZ -0.07428 0.19335 -0.01237 -0.06965 -0.10671 13 4XY -0.07429 0.03890 -0.07019 -0.05854 -0.03878 14 4XZ 0.05813 -0.16792 0.06933 0.08622 0.12304 15 4YZ -0.00994 0.09393 -0.13302 -0.04614 -0.08109 16 2 C 1S -0.00778 0.01435 0.00830 0.00037 -0.00222 17 2S 0.06944 0.08705 0.25302 0.09250 0.07142 18 2PX -0.09276 0.15971 -0.09498 -0.08704 -0.06112 19 2PY 0.00952 0.12856 0.06647 -0.03478 -0.06192 20 2PZ 0.05420 -0.07820 0.09153 0.08099 0.05150 21 3S 0.73621 -2.94025 0.10183 0.29361 -0.24947 22 3PX -0.24857 1.07729 -0.00014 -0.14766 0.25234 23 3PY 0.02828 -0.86220 -0.08249 0.08645 0.01347 24 3PZ 0.09894 -0.78790 -0.03275 0.00644 -0.27477 25 4XX 0.01654 -0.07430 0.10393 0.11448 0.01466 26 4YY 0.03835 0.01659 -0.14693 0.01135 0.00650 27 4ZZ -0.03617 -0.02367 0.07517 -0.12748 -0.00793 28 4XY -0.07677 0.25706 -0.02049 -0.01889 -0.12991 29 4XZ 0.01875 -0.06500 0.13976 0.18105 0.03265 30 4YZ -0.03549 -0.03133 -0.04520 -0.01224 0.03516 31 3 C 1S 0.00778 -0.01435 0.00830 0.00037 0.00222 32 2S -0.06942 -0.08705 0.25303 0.09250 -0.07142 33 2PX 0.09275 -0.15971 -0.09498 -0.08705 0.06113 34 2PY 0.00952 0.12856 -0.06647 0.03478 -0.06192 35 2PZ -0.05419 0.07820 0.09153 0.08100 -0.05150 36 3S -0.73621 2.94027 0.10180 0.29365 0.24947 37 3PX 0.24858 -1.07730 -0.00014 -0.14768 -0.25233 38 3PY 0.02828 -0.86220 0.08250 -0.08645 0.01348 39 3PZ -0.09894 0.78791 -0.03275 0.00645 0.27477 40 4XX -0.01653 0.07430 0.10393 0.11448 -0.01467 41 4YY -0.03835 -0.01659 -0.14693 0.01135 -0.00650 42 4ZZ 0.03617 0.02367 0.07517 -0.12748 0.00793 43 4XY -0.07677 0.25707 0.02048 0.01890 -0.12991 44 4XZ -0.01874 0.06499 0.13976 0.18105 -0.03266 45 4YZ -0.03549 -0.03133 0.04520 0.01224 0.03516 46 4 C 1S -0.03562 0.06187 0.01641 0.01277 0.01191 47 2S -0.24766 0.67218 0.24138 0.41808 0.15641 48 2PX -0.03352 0.04995 0.03184 0.02428 -0.02934 49 2PY -0.02123 -0.03334 0.01714 -0.05901 -0.04970 50 2PZ 0.04436 -0.04817 -0.05658 -0.04651 0.02012 51 3S 1.05184 -2.76235 -1.16101 -1.37631 -0.70306 52 3PX 0.20079 -0.73214 -0.08940 -0.03272 0.06048 53 3PY -0.60072 2.02413 0.65015 0.70599 0.05870 54 3PZ -0.33161 0.81758 -0.11335 0.05105 0.08916 55 4XX 0.03682 -0.16678 -0.04363 -0.01500 0.07231 56 4YY -0.14875 0.41000 0.03803 0.05156 -0.21074 57 4ZZ 0.07428 -0.19335 -0.01236 -0.06965 0.10671 58 4XY -0.07429 0.03890 0.07020 0.05854 -0.03878 59 4XZ -0.05811 0.16792 0.06933 0.08623 -0.12305 60 4YZ -0.00994 0.09392 0.13302 0.04614 -0.08108 61 5 H 1S -0.08829 0.48643 -0.05879 -0.04818 -0.20554 62 2S -0.18137 0.47323 -0.11154 -0.08850 0.00329 63 6 H 1S -0.03044 0.04006 0.05137 0.07200 -0.09057 64 2S 0.01478 -0.37743 -0.06482 -0.00558 -0.06699 65 7 H 1S 0.03045 -0.04006 0.05137 0.07200 0.09057 66 2S -0.01478 0.37743 -0.06483 -0.00557 0.06699 67 8 H 1S 0.08829 -0.48643 -0.05879 -0.04819 0.20555 68 2S 0.18136 -0.47323 -0.11154 -0.08851 -0.00329 69 9 C 1S 0.00000 0.00000 -0.05874 -0.03867 0.00000 70 2S -0.00001 0.00000 -0.55213 -0.41977 0.00001 71 2PX 0.00000 0.00000 0.00501 -0.02741 0.00000 72 2PY -0.05469 0.26077 0.00000 0.00000 -0.02378 73 2PZ 0.00000 0.00000 -0.00863 0.05092 0.00000 74 3S 0.00005 -0.00001 2.41371 1.90517 -0.00003 75 3PX 0.00002 0.00000 0.57852 0.43092 0.00000 76 3PY -0.15654 0.18345 0.00000 0.00000 0.09619 77 3PZ -0.00002 0.00000 -0.71159 -0.76595 0.00001 78 4XX 0.00000 0.00000 -0.12724 0.08721 0.00000 79 4YY -0.00001 0.00000 -0.12837 -0.25360 0.00000 80 4ZZ 0.00001 0.00000 0.24648 0.18614 0.00000 81 4XY -0.21022 0.18769 0.00000 0.00000 -0.04672 82 4XZ 0.00000 0.00000 -0.03885 -0.02484 0.00000 83 4YZ 0.08245 -0.10885 0.00000 0.00000 0.01663 84 10 H 1S -0.00001 0.00000 0.00287 -0.22551 0.00000 85 2S 0.00001 0.00000 -0.06764 0.27542 0.00000 86 11 H 1S -0.00001 0.00000 -0.25848 -0.20214 0.00000 87 2S 0.00000 0.00000 -0.09087 -0.00996 0.00000 88 12 C 1S 0.04392 -0.03516 -0.00676 -0.01484 -0.01323 89 2S 0.63813 -0.36650 0.26792 0.13972 -0.21097 90 2PX 0.04423 -0.02070 -0.05815 -0.01169 -0.02281 91 2PY -0.09062 -0.04986 -0.09361 -0.16182 -0.08492 92 2PZ 0.05336 -0.02453 0.11544 0.08828 -0.07700 93 3S -3.60335 2.19720 0.37083 0.20737 0.74852 94 3PX 0.78509 -0.09710 0.04786 0.08791 0.31537 95 3PY 0.84036 -0.29969 0.33400 0.46182 -0.22098 96 3PZ -0.81249 0.89329 -0.12350 -0.11504 0.33972 97 4XX -0.15712 -0.16612 0.13319 0.25113 -0.25948 98 4YY 0.02753 0.03256 -0.22828 -0.26278 0.06088 99 4ZZ 0.06957 0.15466 0.08167 0.01431 0.21282 100 4XY -0.23210 -0.07248 -0.03257 -0.14354 -0.03566 101 4XZ 0.18079 0.22978 0.05469 -0.00266 -0.05571 102 4YZ 0.00023 0.04073 0.04294 0.09410 0.14275 103 13 C 1S -0.04392 0.03516 -0.00676 -0.01484 0.01323 104 2S -0.63813 0.36650 0.26792 0.13973 0.21096 105 2PX -0.04423 0.02070 -0.05815 -0.01169 0.02281 106 2PY -0.09063 -0.04986 0.09361 0.16182 -0.08493 107 2PZ -0.05336 0.02453 0.11545 0.08828 0.07700 108 3S 3.60336 -2.19716 0.37084 0.20733 -0.74852 109 3PX -0.78506 0.09710 0.04784 0.08791 -0.31538 110 3PY 0.84036 -0.29970 -0.33401 -0.46183 -0.22097 111 3PZ 0.81248 -0.89328 -0.12349 -0.11506 -0.33971 112 4XX 0.15710 0.16612 0.13320 0.25114 0.25948 113 4YY -0.02751 -0.03256 -0.22828 -0.26278 -0.06088 114 4ZZ -0.06957 -0.15466 0.08166 0.01431 -0.21282 115 4XY -0.23211 -0.07249 0.03257 0.14353 -0.03566 116 4XZ -0.18079 -0.22978 0.05470 -0.00266 0.05571 117 4YZ 0.00025 0.04073 -0.04294 -0.09410 0.14275 118 14 C 1S -0.00140 -0.01892 -0.00335 0.01230 0.00253 119 2S 0.22623 -0.32287 0.04926 -0.13277 0.07094 120 2PX -0.01155 -0.05721 -0.06089 0.01129 0.05392 121 2PY -0.14481 -0.07812 0.05574 -0.21881 -0.00989 122 2PZ -0.01907 0.03178 0.07150 0.02094 0.08983 123 3S -1.40564 1.83842 0.11994 -0.54498 -0.17465 124 3PX -0.60599 0.56627 -0.48162 0.15431 0.23288 125 3PY -1.64238 0.18927 -0.21197 0.67873 0.22980 126 3PZ 0.14861 0.15649 0.42220 0.01590 0.41547 127 4XX -0.21926 0.03788 -0.13976 -0.15852 -0.09953 128 4YY 0.46191 0.15144 -0.01731 0.13234 0.00599 129 4ZZ -0.32728 -0.16359 0.14139 0.02341 0.11508 130 4XY 0.03263 0.07595 0.00529 0.03023 0.03989 131 4XZ -0.01820 -0.00588 -0.07424 0.07956 0.08080 132 4YZ 0.07568 0.04457 0.02878 0.00853 0.02094 133 15 C 1S -0.01707 0.00398 -0.01177 0.00756 0.00040 134 2S -0.25918 0.11585 -0.33213 0.30597 0.07152 135 2PX 0.01899 0.02840 -0.12093 0.07926 0.04230 136 2PY -0.13760 0.00927 -0.14707 0.18997 -0.03034 137 2PZ -0.01208 0.01168 0.05745 -0.04834 -0.01836 138 3S 2.12703 -0.72104 -0.20398 0.02649 -0.28603 139 3PX 0.47244 -0.55555 0.05883 -0.15134 -0.35005 140 3PY 1.05285 -0.22938 0.52022 -0.57321 -0.10245 141 3PZ -0.21362 0.14907 -0.06627 0.02083 -0.20981 142 4XX 0.17030 -0.14030 -0.27522 0.16651 -0.40643 143 4YY -0.04274 0.01041 0.30829 -0.36570 -0.01364 144 4ZZ -0.10125 0.10887 -0.11378 0.29963 0.41414 145 4XY 0.14678 0.02507 0.16812 -0.08412 -0.05368 146 4XZ -0.19031 -0.10085 -0.07859 -0.12140 -0.08315 147 4YZ -0.03065 -0.00056 -0.03103 0.12074 -0.12148 148 16 C 1S 0.01707 -0.00398 -0.01177 0.00756 -0.00040 149 2S 0.25919 -0.11585 -0.33213 0.30597 -0.07152 150 2PX -0.01899 -0.02840 -0.12093 0.07925 -0.04230 151 2PY -0.13760 0.00927 0.14707 -0.18997 -0.03034 152 2PZ 0.01208 -0.01168 0.05745 -0.04834 0.01836 153 3S -2.12709 0.72103 -0.20398 0.02651 0.28604 154 3PX -0.47245 0.55555 0.05883 -0.15133 0.35005 155 3PY 1.05285 -0.22940 -0.52022 0.57321 -0.10245 156 3PZ 0.21364 -0.14907 -0.06626 0.02083 0.20981 157 4XX -0.17031 0.14029 -0.27521 0.16652 0.40643 158 4YY 0.04274 -0.01041 0.30830 -0.36571 0.01363 159 4ZZ 0.10126 -0.10888 -0.11378 0.29963 -0.41414 160 4XY 0.14678 0.02507 -0.16812 0.08412 -0.05368 161 4XZ 0.19032 0.10085 -0.07859 -0.12140 0.08315 162 4YZ -0.03065 -0.00056 0.03103 -0.12074 -0.12148 163 17 C 1S 0.00140 0.01892 -0.00335 0.01230 -0.00253 164 2S -0.22622 0.32287 0.04926 -0.13276 -0.07094 165 2PX 0.01155 0.05721 -0.06089 0.01130 -0.05392 166 2PY -0.14482 -0.07812 -0.05574 0.21881 -0.00989 167 2PZ 0.01907 -0.03178 0.07150 0.02094 -0.08984 168 3S 1.40564 -1.83843 0.11998 -0.54500 0.17464 169 3PX 0.60595 -0.56629 -0.48161 0.15430 -0.23286 170 3PY -1.64245 0.18928 0.21198 -0.67873 0.22980 171 3PZ -0.14859 -0.15648 0.42219 0.01590 -0.41547 172 4XX 0.21926 -0.03788 -0.13976 -0.15852 0.09953 173 4YY -0.46192 -0.15144 -0.01731 0.13235 -0.00600 174 4ZZ 0.32729 0.16359 0.14139 0.02341 -0.11508 175 4XY 0.03263 0.07595 -0.00529 -0.03022 0.03989 176 4XZ 0.01821 0.00588 -0.07425 0.07956 -0.08080 177 4YZ 0.07568 0.04457 -0.02878 -0.00853 0.02094 178 18 H 1S 0.16651 0.05792 -0.01791 0.01044 -0.05352 179 2S -0.17055 0.09148 -0.15907 -0.19289 0.00952 180 19 H 1S -0.16653 -0.05792 -0.01790 0.01044 0.05353 181 2S 0.17054 -0.09148 -0.15907 -0.19289 -0.00952 182 20 H 1S -0.17093 -0.07751 -0.02523 -0.06260 0.00011 183 2S 0.18262 -0.13471 0.13544 -0.12202 -0.04259 184 21 H 1S 0.17094 0.07751 -0.02523 -0.06260 -0.00011 185 2S -0.18263 0.13471 0.13544 -0.12202 0.04259 186 22 O 1S -0.01697 -0.01031 0.00128 -0.00319 0.00368 187 2S 0.05776 -0.08185 0.08605 -0.28024 0.11993 188 2PX 0.04603 -0.00980 -0.04111 0.01051 -0.03637 189 2PY -0.33444 -0.08219 -0.02037 0.12693 -0.03510 190 2PZ 0.02051 -0.02262 0.05822 -0.01136 -0.07169 191 3S 0.80124 0.53738 -0.26788 0.82741 -0.39185 192 3PX -0.08053 0.12948 0.13222 -0.03242 0.09776 193 3PY -0.02733 -0.17515 0.07471 -0.25125 0.14227 194 3PZ 0.03741 0.09246 -0.16849 0.02094 0.19790 195 4XX 0.13252 -0.03404 0.14013 -0.01168 -0.05273 196 4YY -0.02812 -0.03799 0.03117 -0.07398 -0.01254 197 4ZZ -0.02853 0.04336 -0.14367 -0.02565 0.11594 198 4XY 0.02123 -0.02016 -0.24112 0.12668 -0.13709 199 4XZ -0.04015 0.02959 0.03564 0.07681 0.10286 200 4YZ 0.00274 -0.14296 0.24177 0.02424 -0.28561 201 23 O 1S 0.01697 0.01031 0.00128 -0.00319 -0.00368 202 2S -0.05778 0.08185 0.08605 -0.28024 -0.11993 203 2PX -0.04603 0.00980 -0.04111 0.01051 0.03637 204 2PY -0.33444 -0.08219 0.02037 -0.12692 -0.03510 205 2PZ -0.02051 0.02262 0.05822 -0.01136 0.07169 206 3S -0.80117 -0.53738 -0.26786 0.82740 0.39186 207 3PX 0.08054 -0.12948 0.13222 -0.03242 -0.09776 208 3PY -0.02731 -0.17515 -0.07471 0.25125 0.14228 209 3PZ -0.03741 -0.09246 -0.16849 0.02094 -0.19790 210 4XX -0.13251 0.03404 0.14014 -0.01168 0.05273 211 4YY 0.02811 0.03800 0.03117 -0.07397 0.01254 212 4ZZ 0.02853 -0.04336 -0.14367 -0.02565 -0.11594 213 4XY 0.02122 -0.02015 0.24111 -0.12668 -0.13710 214 4XZ 0.04014 -0.02959 0.03564 0.07681 -0.10287 215 4YZ 0.00275 -0.14296 -0.24177 -0.02424 -0.28560 166 167 168 169 170 V V V V V Eigenvalues -- 2.07442 2.09048 2.11483 2.13015 2.17998 1 1 C 1S 0.00118 0.03710 -0.01408 -0.02893 -0.01805 2 2S -0.17320 0.56535 -0.24318 -0.46913 -0.74344 3 2PX 0.11985 -0.06392 0.00413 0.03450 0.00963 4 2PY -0.10572 0.17285 0.01702 -0.17306 -0.19770 5 2PZ -0.05451 0.01724 0.08427 -0.02327 0.02452 6 3S 0.23189 -2.19240 0.68842 1.66430 1.67658 7 3PX -0.40713 -0.47449 -0.07864 0.47715 0.27717 8 3PY 0.24955 -1.14493 0.52089 1.11126 1.09766 9 3PZ -0.25231 0.28189 0.01593 -0.21695 -0.12856 10 4XX 0.05130 0.11928 0.14815 -0.13396 -0.25986 11 4YY -0.01875 -0.18885 -0.08738 0.13740 0.03286 12 4ZZ -0.02622 0.04476 -0.00578 0.01107 0.33188 13 4XY -0.25093 -0.27990 -0.06237 0.26826 0.19164 14 4XZ -0.10288 -0.06469 0.01682 -0.05247 0.02067 15 4YZ -0.23940 -0.01521 -0.04793 0.07052 0.19660 16 2 C 1S 0.01379 -0.01471 -0.01364 0.00997 0.02524 17 2S 0.27646 -0.12541 -0.44250 0.06588 0.22683 18 2PX 0.03301 -0.03203 0.10353 0.06319 -0.03833 19 2PY 0.17646 0.15100 -0.18389 -0.08850 0.09473 20 2PZ -0.02458 -0.00649 -0.07534 -0.01251 0.06933 21 3S -0.16306 2.10418 0.12927 -1.79089 -0.95533 22 3PX 0.29356 -0.87796 -0.16024 0.72994 0.52276 23 3PY -0.39337 0.59234 0.28303 -0.62256 -0.25388 24 3PZ -0.09973 0.80893 0.16648 -0.62865 -0.34350 25 4XX -0.02694 -0.11162 -0.16944 0.03613 -0.11220 26 4YY -0.26138 0.08658 0.30287 -0.05951 -0.05594 27 4ZZ 0.33272 0.06363 -0.16904 -0.02479 0.23189 28 4XY -0.14547 0.09462 0.04972 0.00798 0.17098 29 4XZ -0.07914 0.05509 -0.11371 -0.11171 0.13962 30 4YZ 0.07262 -0.19585 -0.01514 0.20794 -0.24248 31 3 C 1S 0.01379 0.01471 -0.01364 -0.00997 0.02524 32 2S 0.27646 0.12542 -0.44250 -0.06587 0.22680 33 2PX 0.03301 0.03203 0.10353 -0.06319 -0.03832 34 2PY -0.17645 0.15100 0.18389 -0.08851 -0.09473 35 2PZ -0.02458 0.00649 -0.07535 0.01251 0.06932 36 3S -0.16313 -2.10420 0.12931 1.79090 -0.95518 37 3PX 0.29359 0.87796 -0.16026 -0.72994 0.52269 38 3PY 0.39339 0.59233 -0.28304 -0.62255 0.25382 39 3PZ -0.09976 -0.80894 0.16650 0.62866 -0.34345 40 4XX -0.02694 0.11162 -0.16944 -0.03613 -0.11219 41 4YY -0.26138 -0.08659 0.30287 0.05951 -0.05594 42 4ZZ 0.33272 -0.06363 -0.16904 0.02479 0.23189 43 4XY 0.14548 0.09461 -0.04973 0.00798 -0.17098 44 4XZ -0.07914 -0.05509 -0.11371 0.11171 0.13961 45 4YZ -0.07263 -0.19585 0.01513 0.20793 0.24248 46 4 C 1S 0.00117 -0.03710 -0.01408 0.02893 -0.01805 47 2S -0.17321 -0.56535 -0.24318 0.46914 -0.74342 48 2PX 0.11985 0.06392 0.00413 -0.03450 0.00962 49 2PY 0.10573 0.17285 -0.01702 -0.17306 0.19770 50 2PZ -0.05451 -0.01724 0.08427 0.02327 0.02452 51 3S 0.23196 2.19242 0.68839 -1.66433 1.67647 52 3PX -0.40712 0.47450 -0.07864 -0.47715 0.27717 53 3PY -0.24958 -1.14493 -0.52087 1.11128 -1.09762 54 3PZ -0.25232 -0.28188 0.01593 0.21694 -0.12855 55 4XX 0.05130 -0.11928 0.14815 0.13396 -0.25986 56 4YY -0.01875 0.18885 -0.08738 -0.13740 0.03286 57 4ZZ -0.02623 -0.04476 -0.00578 -0.01107 0.33188 58 4XY 0.25092 -0.27991 0.06237 0.26827 -0.19164 59 4XZ -0.10287 0.06469 0.01682 0.05247 0.02065 60 4YZ 0.23940 -0.01522 0.04793 0.07052 -0.19659 61 5 H 1S -0.01811 0.13827 0.08945 -0.02858 0.04817 62 2S 0.11327 -0.34067 0.14144 0.30169 0.30353 63 6 H 1S -0.18842 0.22401 0.02663 -0.19978 0.19119 64 2S -0.11015 0.24937 0.14106 -0.22958 -0.24017 65 7 H 1S -0.18842 -0.22401 0.02664 0.19978 0.19119 66 2S -0.11016 -0.24937 0.14106 0.22958 -0.24014 67 8 H 1S -0.01811 -0.13827 0.08945 0.02858 0.04817 68 2S 0.11328 0.34066 0.14143 -0.30169 0.30352 69 9 C 1S -0.02170 0.00000 0.01672 0.00000 0.02210 70 2S 0.03417 0.00000 0.26519 0.00000 -0.42976 71 2PX 0.03418 0.00000 0.06901 0.00000 -0.03818 72 2PY 0.00000 -0.05991 0.00000 0.14060 0.00000 73 2PZ -0.06166 0.00000 0.02797 0.00000 0.29882 74 3S -0.08681 0.00000 -1.26278 0.00001 -1.20530 75 3PX 1.09774 -0.00001 -0.81835 0.00001 -0.67723 76 3PY -0.00001 -0.32730 0.00000 0.10466 0.00001 77 3PZ 0.13581 0.00000 0.49046 0.00000 -0.34231 78 4XX -0.45952 0.00000 0.30386 0.00000 -0.23654 79 4YY 0.28602 0.00000 -0.07862 0.00000 0.11960 80 4ZZ 0.10005 0.00000 -0.22840 0.00000 0.20180 81 4XY 0.00000 -0.35873 0.00000 0.40581 0.00000 82 4XZ 0.24014 0.00000 0.12315 0.00000 -0.20622 83 4YZ 0.00000 -0.22941 0.00000 0.26683 0.00000 84 10 H 1S 0.59076 0.00000 -0.15397 0.00000 -0.00121 85 2S 0.25525 0.00000 -0.28780 0.00000 -0.04434 86 11 H 1S -0.29782 0.00000 0.08084 0.00000 0.32361 87 2S -0.17641 0.00000 0.19442 0.00000 0.32483 88 12 C 1S 0.00396 0.01163 0.00350 -0.00557 0.00982 89 2S 0.11472 0.01232 0.52861 -0.10917 0.36827 90 2PX -0.01814 0.10582 -0.00064 0.14697 -0.03939 91 2PY -0.07032 -0.09248 -0.22815 -0.15002 -0.05964 92 2PZ -0.02535 -0.03979 0.04846 -0.05220 0.04222 93 3S -0.25490 -1.01962 0.16419 -0.53152 -0.39791 94 3PX 0.20493 0.08516 0.01323 0.02523 0.04707 95 3PY 0.32888 0.24958 0.98926 0.37533 0.34773 96 3PZ -0.33677 -0.35270 -0.41466 0.00876 -0.40643 97 4XX -0.07896 -0.02893 -0.10100 -0.00626 0.01193 98 4YY -0.02450 0.07908 -0.24044 0.12876 -0.03113 99 4ZZ 0.10736 -0.05949 0.31879 -0.11217 -0.02790 100 4XY -0.07833 -0.12772 -0.05648 -0.12529 -0.00781 101 4XZ -0.13027 -0.16158 -0.21773 -0.02251 -0.26856 102 4YZ -0.14117 -0.02019 -0.12254 -0.00180 -0.04052 103 13 C 1S 0.00396 -0.01163 0.00350 0.00557 0.00982 104 2S 0.11472 -0.01233 0.52863 0.10916 0.36831 105 2PX -0.01814 -0.10583 -0.00064 -0.14697 -0.03939 106 2PY 0.07032 -0.09249 0.22814 -0.15002 0.05964 107 2PZ -0.02535 0.03979 0.04846 0.05220 0.04222 108 3S -0.25489 1.01961 0.16413 0.53152 -0.39809 109 3PX 0.20494 -0.08516 0.01324 -0.02523 0.04709 110 3PY -0.32888 0.24962 -0.98927 0.37534 -0.34780 111 3PZ -0.33677 0.35271 -0.41469 -0.00876 -0.40651 112 4XX -0.07896 0.02893 -0.10100 0.00626 0.01193 113 4YY -0.02450 -0.07908 -0.24044 -0.12875 -0.03113 114 4ZZ 0.10736 0.05948 0.31880 0.11216 -0.02791 115 4XY 0.07833 -0.12772 0.05648 -0.12529 0.00780 116 4XZ -0.13026 0.16159 -0.21773 0.02251 -0.26857 117 4YZ 0.14117 -0.02020 0.12254 -0.00180 0.04051 118 14 C 1S 0.00587 0.01299 -0.00330 0.00304 -0.00592 119 2S -0.20674 0.34249 -0.05941 0.34531 -0.05725 120 2PX 0.02296 0.01211 -0.00026 -0.01542 -0.05082 121 2PY -0.11329 0.12726 -0.09790 0.15475 -0.06941 122 2PZ -0.05567 0.00112 -0.03720 -0.00144 0.04255 123 3S -0.10060 -0.52606 -0.41160 0.15239 0.12201 124 3PX 0.06684 -0.28489 -0.61459 -0.13928 -0.09276 125 3PY 1.22828 -0.89956 1.16896 -1.50314 0.69117 126 3PZ 0.16119 0.01100 0.51485 -0.09770 0.12301 127 4XX 0.04704 -0.09436 -0.01199 -0.10360 0.03174 128 4YY -0.01993 0.02112 0.05674 0.10297 0.06553 129 4ZZ 0.04332 0.08836 -0.04452 -0.03313 -0.11231 130 4XY 0.01850 -0.01552 0.01401 0.01112 -0.02033 131 4XZ 0.07742 0.30035 0.05187 0.27898 0.06690 132 4YZ 0.00808 -0.03324 0.00764 -0.02321 0.00199 133 15 C 1S 0.00656 0.00068 0.00182 -0.00059 0.00270 134 2S 0.10441 0.13078 -0.06177 0.11818 0.13127 135 2PX 0.02487 0.10062 -0.03191 0.10697 0.01110 136 2PY 0.07636 -0.14927 0.00310 -0.13534 0.07865 137 2PZ -0.02969 -0.08854 0.01169 -0.08584 0.01817 138 3S -0.26161 0.37182 -0.56448 0.78982 -0.26495 139 3PX -0.21683 0.06823 -0.17057 0.19968 -0.20664 140 3PY -0.28630 0.36277 0.07793 0.61301 -0.17331 141 3PZ 0.15429 0.03339 0.18663 -0.02034 0.15596 142 4XX 0.04336 0.05971 0.00917 0.11565 0.09158 143 4YY -0.06520 -0.10193 0.07737 -0.09949 -0.08239 144 4ZZ 0.04361 0.02863 -0.09296 -0.02928 -0.01971 145 4XY -0.10002 0.06894 -0.04640 0.09891 0.02784 146 4XZ 0.05102 0.11865 0.05310 0.13817 0.01672 147 4YZ 0.09344 -0.06545 0.02571 -0.04406 -0.05086 148 16 C 1S 0.00656 -0.00068 0.00182 0.00059 0.00270 149 2S 0.10440 -0.13079 -0.06178 -0.11818 0.13125 150 2PX 0.02487 -0.10062 -0.03191 -0.10697 0.01109 151 2PY -0.07637 -0.14927 -0.00311 -0.13534 -0.07865 152 2PZ -0.02969 0.08854 0.01169 0.08584 0.01817 153 3S -0.26160 -0.37180 -0.56444 -0.78982 -0.26480 154 3PX -0.21682 -0.06822 -0.17054 -0.19967 -0.20658 155 3PY 0.28629 0.36277 -0.07794 0.61301 0.17327 156 3PZ 0.15429 -0.03339 0.18662 0.02034 0.15591 157 4XX 0.04336 -0.05971 0.00917 -0.11565 0.09157 158 4YY -0.06520 0.10193 0.07737 0.09949 -0.08239 159 4ZZ 0.04362 -0.02863 -0.09297 0.02928 -0.01970 160 4XY 0.10002 0.06893 0.04640 0.09891 -0.02784 161 4XZ 0.05101 -0.11866 0.05310 -0.13817 0.01671 162 4YZ -0.09344 -0.06545 -0.02572 -0.04406 0.05087 163 17 C 1S 0.00587 -0.01299 -0.00330 -0.00304 -0.00592 164 2S -0.20675 -0.34249 -0.05941 -0.34531 -0.05724 165 2PX 0.02296 -0.01211 -0.00026 0.01542 -0.05082 166 2PY 0.11329 0.12725 0.09791 0.15474 0.06941 167 2PZ -0.05567 -0.00112 -0.03720 0.00144 0.04255 168 3S -0.10059 0.52607 -0.41166 -0.15239 0.12192 169 3PX 0.06683 0.28489 -0.61461 0.13927 -0.09276 170 3PY -1.22827 -0.89952 -1.16895 -1.50313 -0.69108 171 3PZ 0.16120 -0.01102 0.51485 0.09769 0.12299 172 4XX 0.04704 0.09436 -0.01198 0.10360 0.03173 173 4YY -0.01993 -0.02112 0.05673 -0.10297 0.06553 174 4ZZ 0.04332 -0.08836 -0.04452 0.03313 -0.11231 175 4XY -0.01850 -0.01552 -0.01401 0.01112 0.02033 176 4XZ 0.07741 -0.30036 0.05185 -0.27899 0.06689 177 4YZ -0.00808 -0.03323 -0.00764 -0.02321 -0.00200 178 18 H 1S -0.20712 -0.00553 -0.36107 0.03189 -0.18192 179 2S -0.11592 -0.07577 -0.16769 0.00192 -0.04825 180 19 H 1S -0.20713 0.00554 -0.36108 -0.03189 -0.18193 181 2S -0.11592 0.07578 -0.16770 -0.00191 -0.04827 182 20 H 1S 0.04922 0.01603 0.04897 0.03138 -0.07150 183 2S -0.13304 0.04165 -0.04458 0.09187 -0.08484 184 21 H 1S 0.04922 -0.01603 0.04898 -0.03138 -0.07150 185 2S -0.13304 -0.04164 -0.04457 -0.09187 -0.08483 186 22 O 1S -0.01670 -0.00827 -0.01229 -0.01902 -0.00339 187 2S -0.28624 -0.11209 -0.35211 -0.26463 -0.19463 188 2PX 0.02677 -0.00601 -0.04222 0.01574 -0.02860 189 2PY 0.00296 -0.01747 0.06075 -0.06360 0.05336 190 2PZ 0.00930 0.00038 -0.00164 0.01466 -0.01002 191 3S 1.24075 0.58438 1.28233 1.38518 0.62404 192 3PX -0.00475 -0.00413 0.20591 0.00668 0.09011 193 3PY -0.29879 -0.09558 -0.32831 -0.29359 -0.15581 194 3PZ -0.00080 0.01441 -0.03414 0.00127 0.00317 195 4XX -0.05554 -0.05921 0.00037 -0.09620 -0.00481 196 4YY -0.10948 -0.04596 -0.13907 -0.08430 -0.07399 197 4ZZ 0.02447 0.04701 -0.00707 0.06802 0.01372 198 4XY 0.00868 0.00186 -0.20814 0.07116 -0.09727 199 4XZ -0.00326 0.26788 0.08733 0.25422 0.00567 200 4YZ -0.02905 0.03613 0.05269 0.05330 0.05207 201 23 O 1S -0.01670 0.00827 -0.01229 0.01902 -0.00339 202 2S -0.28625 0.11210 -0.35211 0.26463 -0.19464 203 2PX 0.02677 0.00601 -0.04222 -0.01574 -0.02860 204 2PY -0.00296 -0.01746 -0.06075 -0.06360 -0.05336 205 2PZ 0.00930 -0.00038 -0.00164 -0.01466 -0.01002 206 3S 1.24076 -0.58443 1.28232 -1.38519 0.62408 207 3PX -0.00474 0.00412 0.20592 -0.00668 0.09012 208 3PY 0.29879 -0.09559 0.32831 -0.29359 0.15581 209 3PZ -0.00079 -0.01441 -0.03414 -0.00127 0.00317 210 4XX -0.05554 0.05921 0.00038 0.09620 -0.00481 211 4YY -0.10948 0.04596 -0.13908 0.08430 -0.07399 212 4ZZ 0.02447 -0.04701 -0.00708 -0.06802 0.01372 213 4XY -0.00868 0.00186 0.20814 0.07115 0.09728 214 4XZ -0.00326 -0.26788 0.08732 -0.25423 0.00566 215 4YZ 0.02905 0.03613 -0.05269 0.05330 -0.05208 171 172 173 174 175 V V V V V Eigenvalues -- 2.18849 2.22719 2.25616 2.25653 2.28320 1 1 C 1S -0.01483 0.00361 -0.02098 0.00407 -0.03352 2 2S -0.11844 0.01560 -0.27596 0.44623 -0.61980 3 2PX 0.13930 0.10618 0.04710 0.00795 0.01794 4 2PY 0.04926 0.02712 -0.04519 0.12691 -0.11547 5 2PZ -0.11400 -0.09361 -0.01823 -0.01918 0.03542 6 3S 1.50765 0.75598 1.19601 -1.14870 1.36111 7 3PX -0.14283 0.05691 0.27998 -0.28079 0.03165 8 3PY 0.54054 0.52927 0.86356 -0.94511 0.78751 9 3PZ -0.15564 -0.01322 0.09867 -0.01266 -0.17788 10 4XX -0.03867 0.07376 0.36999 -0.22233 0.27569 11 4YY -0.03168 -0.10544 0.04923 0.02535 -0.00054 12 4ZZ 0.13783 0.07434 -0.39901 0.09795 -0.23376 13 4XY -0.10946 -0.04073 -0.04597 -0.02737 0.06001 14 4XZ 0.33060 0.22045 -0.10663 0.01859 0.00039 15 4YZ 0.00965 0.09795 0.32168 -0.19661 0.05348 16 2 C 1S 0.02253 0.02643 0.02103 -0.01346 -0.00602 17 2S 0.47230 0.46190 0.20446 -0.03968 -0.14745 18 2PX -0.14744 -0.11329 -0.00224 -0.03192 0.04240 19 2PY -0.01639 0.00504 0.15858 -0.08537 0.02242 20 2PZ 0.11916 0.05380 -0.05997 0.05044 -0.08393 21 3S -2.14903 -2.11736 -0.68148 0.54794 -0.31479 22 3PX 1.04014 0.75601 0.32103 -0.24156 -0.10433 23 3PY -0.91325 -0.94794 -0.24933 0.20417 0.04884 24 3PZ -0.74670 -0.56943 -0.39636 0.24300 -0.30562 25 4XX -0.14339 -0.02488 0.36806 -0.17422 0.28606 26 4YY 0.01879 0.00460 -0.16992 0.06337 0.01730 27 4ZZ 0.13739 0.01129 -0.14790 0.05707 -0.30469 28 4XY -0.03728 -0.06726 0.02323 -0.08513 -0.32172 29 4XZ 0.21797 0.16332 0.22199 -0.03248 -0.00131 30 4YZ 0.06857 -0.07489 0.12449 -0.02528 -0.39405 31 3 C 1S -0.02253 -0.02643 0.02104 -0.01346 0.00602 32 2S -0.47231 -0.46190 0.20447 -0.03968 0.14744 33 2PX 0.14744 0.11329 -0.00224 -0.03192 -0.04240 34 2PY -0.01638 0.00504 -0.15858 0.08537 0.02243 35 2PZ -0.11916 -0.05380 -0.05996 0.05044 0.08393 36 3S 2.14908 2.11738 -0.68151 0.54794 0.31484 37 3PX -1.04017 -0.75602 0.32105 -0.24156 0.10431 38 3PY -0.91325 -0.94794 0.24935 -0.20417 0.04884 39 3PZ 0.74672 0.56943 -0.39637 0.24299 0.30563 40 4XX 0.14340 0.02488 0.36805 -0.17422 -0.28606 41 4YY -0.01879 -0.00461 -0.16992 0.06337 -0.01730 42 4ZZ -0.13740 -0.01129 -0.14789 0.05707 0.30469 43 4XY -0.03727 -0.06725 -0.02323 0.08514 -0.32172 44 4XZ -0.21798 -0.16332 0.22199 -0.03248 0.00130 45 4YZ 0.06856 -0.07490 -0.12450 0.02529 -0.39405 46 4 C 1S 0.01483 -0.00361 -0.02098 0.00407 0.03352 47 2S 0.11847 -0.01558 -0.27595 0.44622 0.61982 48 2PX -0.13930 -0.10618 0.04710 0.00795 -0.01794 49 2PY 0.04925 0.02712 0.04519 -0.12690 -0.11548 50 2PZ 0.11400 0.09361 -0.01824 -0.01918 -0.03542 51 3S -1.50774 -0.75603 1.19601 -1.14868 -1.36121 52 3PX 0.14281 -0.05691 0.27998 -0.28079 -0.03166 53 3PY 0.54060 0.52930 -0.86356 0.94510 0.78756 54 3PZ 0.15565 0.01322 0.09868 -0.01267 0.17788 55 4XX 0.03869 -0.07376 0.36998 -0.22233 -0.27569 56 4YY 0.03167 0.10545 0.04922 0.02535 0.00054 57 4ZZ -0.13785 -0.07435 -0.39900 0.09794 0.23377 58 4XY -0.10945 -0.04073 0.04597 0.02737 0.06001 59 4XZ -0.33060 -0.22045 -0.10663 0.01858 -0.00039 60 4YZ 0.00965 0.09795 -0.32168 0.19661 0.05349 61 5 H 1S 0.01686 0.15346 0.11555 -0.14647 0.01786 62 2S 0.06956 0.08344 0.20070 -0.23408 0.19490 63 6 H 1S -0.05263 0.00984 -0.00202 -0.00365 0.02493 64 2S -0.41406 -0.31863 -0.15459 0.10112 -0.00036 65 7 H 1S 0.05261 -0.00984 -0.00202 -0.00365 -0.02494 66 2S 0.41407 0.31863 -0.15459 0.10112 0.00037 67 8 H 1S -0.01686 -0.15346 0.11555 -0.14647 -0.01786 68 2S -0.06957 -0.08344 0.20070 -0.23408 -0.19491 69 9 C 1S 0.00000 0.00000 0.02733 -0.02303 0.00000 70 2S 0.00001 0.00000 -0.25770 0.01099 0.00000 71 2PX 0.00000 0.00000 -0.08496 0.04421 0.00000 72 2PY 0.06177 0.08284 0.00000 0.00000 0.07226 73 2PZ -0.00001 0.00000 0.16569 -0.09541 0.00000 74 3S 0.00002 0.00002 -1.01033 1.37925 0.00004 75 3PX 0.00002 0.00001 -0.15439 0.36889 0.00001 76 3PY 0.25242 0.04132 0.00000 0.00000 0.20040 77 3PZ 0.00001 -0.00001 0.38358 -0.30681 -0.00001 78 4XX 0.00000 0.00000 0.07464 0.12226 -0.00001 79 4YY 0.00000 0.00000 0.15164 -0.25649 0.00000 80 4ZZ -0.00001 0.00000 -0.15223 0.12289 0.00001 81 4XY 0.11474 0.13272 0.00000 0.00000 -0.09854 82 4XZ 0.00000 0.00000 -0.04756 0.11180 0.00000 83 4YZ 0.03341 0.09814 0.00000 0.00000 0.04587 84 10 H 1S 0.00000 0.00000 0.04227 -0.06269 0.00000 85 2S 0.00000 0.00000 -0.06034 0.01876 0.00000 86 11 H 1S -0.00001 0.00000 0.09544 -0.23996 0.00000 87 2S -0.00001 0.00000 -0.11541 -0.00856 0.00000 88 12 C 1S -0.02106 -0.00613 -0.00630 -0.01993 -0.01956 89 2S -0.49771 -0.28158 0.02942 -0.12515 -0.45998 90 2PX -0.02197 0.05254 -0.04499 -0.06143 -0.02610 91 2PY -0.04342 -0.06009 -0.05190 0.06645 -0.08230 92 2PZ -0.07380 -0.06299 -0.00445 0.00134 -0.08377 93 3S 2.29262 1.74354 0.54579 0.76147 2.05716 94 3PX -0.03273 -1.03035 -0.07060 -0.23830 0.13933 95 3PY -0.96675 -0.76791 0.44188 0.08677 -1.35510 96 3PZ 0.88754 1.04643 -0.09646 0.18865 0.62774 97 4XX -0.14514 0.32674 0.09874 0.23294 0.06316 98 4YY 0.04128 0.05025 -0.04888 -0.02165 0.07960 99 4ZZ 0.20419 -0.30013 -0.06075 -0.22895 -0.03981 100 4XY -0.18175 0.01254 -0.05192 -0.20249 0.07360 101 4XZ 0.12753 0.26193 -0.04132 0.10045 0.15324 102 4YZ -0.17025 -0.07064 -0.07024 -0.03781 0.21446 103 13 C 1S 0.02106 0.00613 -0.00630 -0.01994 0.01956 104 2S 0.49768 0.28157 0.02942 -0.12515 0.45996 105 2PX 0.02197 -0.05254 -0.04498 -0.06143 0.02610 106 2PY -0.04342 -0.06009 0.05190 -0.06644 -0.08231 107 2PZ 0.07380 0.06299 -0.00445 0.00134 0.08377 108 3S -2.29257 -1.74351 0.54578 0.76149 -2.05711 109 3PX 0.03272 1.03034 -0.07061 -0.23830 -0.13935 110 3PY -0.96675 -0.76791 -0.44187 -0.08674 -1.35509 111 3PZ -0.88751 -1.04641 -0.09645 0.18866 -0.62772 112 4XX 0.14513 -0.32674 0.09874 0.23295 -0.06315 113 4YY -0.04128 -0.05025 -0.04888 -0.02165 -0.07959 114 4ZZ -0.20418 0.30012 -0.06075 -0.22896 0.03980 115 4XY -0.18176 0.01254 0.05192 0.20248 0.07361 116 4XZ -0.12752 -0.26193 -0.04132 0.10046 -0.15323 117 4YZ -0.17025 -0.07064 0.07024 0.03781 0.21445 118 14 C 1S -0.00193 -0.00908 -0.00923 0.00593 -0.00603 119 2S -0.13650 -0.12215 -0.02452 0.04857 -0.00712 120 2PX -0.00266 -0.03091 -0.01809 -0.06372 0.02640 121 2PY -0.01729 -0.02123 -0.01260 0.01273 0.00518 122 2PZ 0.03936 -0.05155 0.01168 0.07342 0.00804 123 3S 1.02262 1.18785 0.10266 -0.16118 0.63321 124 3PX -0.28363 0.16687 -0.59457 -0.67220 -0.60316 125 3PY 1.35645 1.02319 0.18992 -0.14533 0.95449 126 3PZ 0.40836 0.00990 0.47286 0.42433 0.55862 127 4XX 0.25045 -0.21356 0.19839 0.38602 0.06679 128 4YY -0.12168 0.08401 0.04015 -0.02894 -0.02742 129 4ZZ -0.06955 0.15920 -0.26173 -0.35410 -0.02991 130 4XY -0.04247 0.04953 -0.05014 -0.11854 0.00847 131 4XZ 0.09956 0.02551 0.06089 0.16164 0.12385 132 4YZ -0.03098 -0.00868 0.02815 0.04197 0.02562 133 15 C 1S 0.01600 0.00184 0.00931 0.01310 0.01303 134 2S 0.27668 0.10964 -0.02083 0.03507 0.21876 135 2PX 0.02322 -0.01275 -0.02919 0.00008 0.03710 136 2PY 0.11454 -0.03725 0.00534 0.02825 0.03199 137 2PZ 0.02615 -0.06206 0.04673 0.06155 0.01212 138 3S -2.16579 -1.10073 -0.61028 -0.53789 -1.65398 139 3PX -0.74506 -0.61214 -0.09239 -0.10580 -0.66615 140 3PY -0.62947 -0.43162 0.27949 0.23743 -0.18938 141 3PZ 0.70338 0.20538 0.12421 0.14853 0.61706 142 4XX 0.08897 -0.08375 0.07012 0.14341 0.00704 143 4YY 0.07226 -0.02458 0.03873 0.00631 0.01975 144 4ZZ -0.18635 0.07607 -0.09696 -0.13132 -0.05000 145 4XY 0.05571 -0.21774 -0.01164 -0.00690 0.12596 146 4XZ 0.16072 -0.07150 0.10500 0.13209 0.09958 147 4YZ 0.22766 -0.38918 -0.08255 -0.16669 0.18958 148 16 C 1S -0.01600 -0.00184 0.00931 0.01310 -0.01303 149 2S -0.27669 -0.10964 -0.02083 0.03508 -0.21875 150 2PX -0.02322 0.01275 -0.02919 0.00008 -0.03710 151 2PY 0.11455 -0.03725 -0.00535 -0.02825 0.03199 152 2PZ -0.02615 0.06206 0.04673 0.06155 -0.01212 153 3S 2.16580 1.10072 -0.61028 -0.53793 1.65396 154 3PX 0.74506 0.61214 -0.09239 -0.10582 0.66614 155 3PY -0.62949 -0.43163 -0.27950 -0.23743 -0.18940 156 3PZ -0.70338 -0.20538 0.12421 0.14855 -0.61706 157 4XX -0.08897 0.08375 0.07012 0.14341 -0.00704 158 4YY -0.07226 0.02458 0.03873 0.00631 -0.01976 159 4ZZ 0.18635 -0.07607 -0.09696 -0.13133 0.05000 160 4XY 0.05571 -0.21775 0.01164 0.00690 0.12595 161 4XZ -0.16072 0.07150 0.10500 0.13210 -0.09958 162 4YZ 0.22766 -0.38918 0.08256 0.16669 0.18958 163 17 C 1S 0.00193 0.00908 -0.00923 0.00593 0.00603 164 2S 0.13650 0.12215 -0.02452 0.04857 0.00712 165 2PX 0.00267 0.03091 -0.01809 -0.06372 -0.02641 166 2PY -0.01730 -0.02123 0.01260 -0.01273 0.00518 167 2PZ -0.03937 0.05156 0.01168 0.07342 -0.00803 168 3S -1.02263 -1.18785 0.10265 -0.16117 -0.63321 169 3PX 0.28364 -0.16688 -0.59458 -0.67222 0.60315 170 3PY 1.35649 1.02321 -0.18992 0.14532 0.95452 171 3PZ -0.40835 -0.00990 0.47287 0.42435 -0.55861 172 4XX -0.25045 0.21356 0.19838 0.38602 -0.06679 173 4YY 0.12168 -0.08401 0.04015 -0.02894 0.02742 174 4ZZ 0.06955 -0.15921 -0.26173 -0.35410 0.02991 175 4XY -0.04247 0.04953 0.05013 0.11853 0.00847 176 4XZ -0.09957 -0.02551 0.06089 0.16164 -0.12385 177 4YZ -0.03098 -0.00868 -0.02815 -0.04197 0.02562 178 18 H 1S -0.00316 0.34171 -0.11289 0.10561 0.13713 179 2S 0.15093 0.35324 -0.10079 -0.01941 0.20288 180 19 H 1S 0.00317 -0.34171 -0.11289 0.10561 -0.13712 181 2S -0.15093 -0.35324 -0.10079 -0.01941 -0.20288 182 20 H 1S 0.04158 -0.09644 0.05055 0.01184 0.01168 183 2S -0.27461 -0.15286 0.03647 0.00887 -0.18767 184 21 H 1S -0.04158 0.09644 0.05055 0.01184 -0.01168 185 2S 0.27462 0.15286 0.03647 0.00887 0.18767 186 22 O 1S 0.00873 0.00337 0.00166 -0.00061 0.00456 187 2S 0.12000 0.15200 -0.06051 0.03531 0.11934 188 2PX 0.02785 0.00183 -0.03207 -0.02531 0.02970 189 2PY 0.08093 -0.04649 0.02374 -0.01962 0.01216 190 2PZ -0.03439 0.02281 0.01224 0.03524 -0.01277 191 3S -0.78613 -0.52740 0.12838 -0.08592 -0.57120 192 3PX -0.14609 -0.01204 0.14535 0.15415 -0.17397 193 3PY 0.10929 0.09280 -0.02785 0.02070 0.09449 194 3PZ 0.10467 -0.06163 -0.09609 -0.14082 0.07564 195 4XX -0.00888 -0.09747 -0.07819 -0.17804 -0.04090 196 4YY 0.07758 0.05994 -0.02005 0.00385 0.06572 197 4ZZ -0.04749 0.09765 0.09382 0.18284 0.00467 198 4XY 0.15198 0.05334 -0.10685 -0.14172 0.14443 199 4XZ 0.04323 -0.02884 -0.01412 -0.10686 0.01580 200 4YZ -0.15217 0.08090 0.08843 0.13643 -0.04405 201 23 O 1S -0.00873 -0.00337 0.00166 -0.00061 -0.00456 202 2S -0.11999 -0.15199 -0.06051 0.03532 -0.11933 203 2PX -0.02785 -0.00183 -0.03207 -0.02531 -0.02970 204 2PY 0.08094 -0.04649 -0.02374 0.01962 0.01216 205 2PZ 0.03439 -0.02281 0.01224 0.03524 0.01277 206 3S 0.78609 0.52738 0.12837 -0.08593 0.57117 207 3PX 0.14609 0.01205 0.14535 0.15414 0.17397 208 3PY 0.10928 0.09279 0.02784 -0.02071 0.09448 209 3PZ -0.10467 0.06163 -0.09609 -0.14082 -0.07564 210 4XX 0.00888 0.09747 -0.07819 -0.17804 0.04091 211 4YY -0.07758 -0.05994 -0.02005 0.00385 -0.06572 212 4ZZ 0.04748 -0.09765 0.09382 0.18284 -0.00467 213 4XY 0.15198 0.05334 0.10685 0.14172 0.14443 214 4XZ -0.04323 0.02884 -0.01412 -0.10687 -0.01581 215 4YZ -0.15216 0.08090 -0.08843 -0.13643 -0.04405 176 177 178 179 180 V V V V V Eigenvalues -- 2.30653 2.32435 2.37547 2.37589 2.40383 1 1 C 1S -0.00161 0.00485 0.00477 0.00343 -0.05211 2 2S -0.07746 0.02821 -0.18864 0.04636 -0.76496 3 2PX -0.03507 0.02267 0.03835 -0.02285 0.07548 4 2PY -0.05865 0.05406 -0.04844 -0.01907 -0.11515 5 2PZ 0.05413 0.03557 -0.03254 0.02769 0.04893 6 3S -0.61823 -0.07552 0.48789 -0.36031 2.23879 7 3PX -0.16095 -0.24543 -0.27726 0.07278 -0.19885 8 3PY -0.18340 -0.09711 0.18132 0.06536 1.15572 9 3PZ 0.09107 0.28299 -0.05929 0.13626 -0.30281 10 4XX -0.02067 0.06016 -0.17827 0.08183 0.26872 11 4YY 0.12184 -0.05844 0.08723 -0.20336 0.19043 12 4ZZ -0.11788 0.00369 0.15602 0.09507 -0.36276 13 4XY -0.02859 0.03169 -0.16847 0.23749 -0.15338 14 4XZ -0.19731 -0.04618 -0.00559 0.09449 -0.00759 15 4YZ -0.11087 0.10517 -0.16368 0.25307 -0.10489 16 2 C 1S -0.01863 -0.01344 -0.00246 -0.00947 -0.00304 17 2S -0.38720 -0.23817 0.23406 -0.26553 0.02650 18 2PX 0.09334 0.05390 -0.04742 0.05314 0.06035 19 2PY -0.00333 -0.05675 -0.01781 -0.06229 0.02949 20 2PZ -0.05058 -0.03372 0.03594 -0.04270 -0.01442 21 3S 1.62528 0.50328 -0.56921 0.34507 -1.03769 22 3PX -0.64824 -0.28107 0.47213 -0.24573 0.56109 23 3PY 0.61192 0.07405 -0.25668 0.03605 -0.18851 24 3PZ 0.48340 0.13938 0.07451 0.07893 -0.21266 25 4XX 0.03777 0.05106 -0.33930 0.12586 0.09269 26 4YY -0.00764 0.05515 0.01642 0.09446 0.08892 27 4ZZ -0.00163 -0.10367 0.25463 -0.19469 -0.19344 28 4XY 0.05796 -0.05583 0.07206 0.00526 0.27711 29 4XZ -0.08892 -0.09989 -0.17965 -0.08709 -0.00686 30 4YZ 0.05981 0.04884 0.10654 0.01219 0.41265 31 3 C 1S 0.01863 -0.01344 0.00246 -0.00947 0.00304 32 2S 0.38720 -0.23817 -0.23385 -0.26572 -0.02649 33 2PX -0.09334 0.05390 0.04738 0.05318 -0.06035 34 2PY -0.00333 0.05675 -0.01786 0.06228 0.02949 35 2PZ 0.05058 -0.03372 -0.03590 -0.04273 0.01443 36 3S -1.62529 0.50328 0.56895 0.34554 1.03772 37 3PX 0.64825 -0.28108 -0.47194 -0.24611 -0.56110 38 3PY 0.61191 -0.07405 -0.25665 -0.03625 -0.18851 39 3PZ -0.48340 0.13937 -0.07457 0.07888 0.21267 40 4XX -0.03777 0.05107 0.33921 0.12612 -0.09269 41 4YY 0.00764 0.05515 -0.01649 0.09445 -0.08892 42 4ZZ 0.00163 -0.10367 -0.25449 -0.19488 0.19344 43 4XY 0.05796 0.05583 0.07206 -0.00520 0.27711 44 4XZ 0.08892 -0.09988 0.17972 -0.08695 0.00686 45 4YZ 0.05981 -0.04883 0.10655 -0.01209 0.41265 46 4 C 1S 0.00161 0.00485 -0.00477 0.00342 0.05211 47 2S 0.07746 0.02820 0.18861 0.04653 0.76497 48 2PX 0.03507 0.02267 -0.03833 -0.02288 -0.07548 49 2PY -0.05865 -0.05406 -0.04845 0.01903 -0.11515 50 2PZ -0.05413 0.03557 0.03251 0.02772 -0.04893 51 3S 0.61825 -0.07551 -0.48765 -0.36075 -2.23887 52 3PX 0.16095 -0.24543 0.27721 0.07300 0.19885 53 3PY -0.18341 0.09710 0.18138 -0.06519 1.15576 54 3PZ -0.09108 0.28299 0.05919 0.13631 0.30280 55 4XX 0.02067 0.06017 0.17821 0.08196 -0.26872 56 4YY -0.12184 -0.05844 -0.08708 -0.20343 -0.19043 57 4ZZ 0.11788 0.00369 -0.15609 0.09496 0.36276 58 4XY -0.02859 -0.03170 -0.16829 -0.23762 -0.15337 59 4XZ 0.19731 -0.04618 0.00552 0.09449 0.00760 60 4YZ -0.11087 -0.10517 -0.16348 -0.25320 -0.10487 61 5 H 1S -0.09630 0.03000 -0.07530 0.16754 -0.12249 62 2S 0.03506 -0.09313 0.02725 0.00989 0.32127 63 6 H 1S 0.00426 -0.07352 -0.08575 -0.04553 -0.06341 64 2S 0.24860 0.10548 -0.05606 0.07695 -0.07437 65 7 H 1S -0.00426 -0.07351 0.08579 -0.04546 0.06341 66 2S -0.24860 0.10548 0.05600 0.07699 0.07437 67 8 H 1S 0.09630 0.03001 0.07517 0.16760 0.12249 68 2S -0.03506 -0.09313 -0.02726 0.00986 -0.32128 69 9 C 1S 0.00000 0.03914 0.00000 0.00382 0.00000 70 2S 0.00000 0.52144 0.00004 -0.12621 0.00000 71 2PX 0.00000 -0.00770 -0.00003 0.08425 0.00000 72 2PY -0.03029 0.00000 0.00216 0.00000 0.09671 73 2PZ 0.00000 -0.04850 0.00000 -0.00664 0.00000 74 3S -0.00001 -1.37387 -0.00005 0.20966 0.00005 75 3PX 0.00000 0.35873 0.00007 -0.18722 0.00001 76 3PY -0.00760 0.00000 0.14737 0.00006 0.50122 77 3PZ 0.00000 0.31661 -0.00002 0.01885 -0.00002 78 4XX 0.00000 -0.17746 0.00018 -0.46005 0.00000 79 4YY 0.00000 -0.02768 0.00004 -0.08764 0.00001 80 4ZZ 0.00000 0.16108 -0.00023 0.60317 -0.00001 81 4XY -0.20429 0.00000 -0.15711 -0.00006 -0.24500 82 4XZ 0.00000 0.20084 -0.00025 0.63971 -0.00002 83 4YZ -0.07328 0.00000 0.03493 0.00001 -0.21768 84 10 H 1S 0.00000 0.26325 -0.00018 0.46095 -0.00001 85 2S 0.00000 0.37984 0.00018 -0.45791 0.00001 86 11 H 1S 0.00000 -0.07085 0.00016 -0.39839 0.00001 87 2S 0.00000 -0.01814 -0.00006 0.15497 0.00000 88 12 C 1S 0.01274 -0.03971 -0.02480 -0.00386 -0.03337 89 2S 0.55284 -0.51718 -0.12416 0.21062 -0.77605 90 2PX -0.04861 -0.03598 0.03777 0.02979 0.05838 91 2PY -0.11827 0.19552 -0.15217 -0.04684 0.00273 92 2PZ 0.10339 -0.02021 -0.04330 0.04468 -0.12948 93 3S -2.13235 1.96120 1.82094 -0.31010 3.47671 94 3PX 1.40543 -0.68075 -0.94695 -0.02161 -0.67730 95 3PY -0.78553 0.42049 -1.02737 -0.10036 -1.02641 96 3PZ -0.98629 0.64099 0.79371 -0.06137 1.45694 97 4XX -0.10144 -0.06130 0.06521 0.04920 0.14617 98 4YY 0.19657 0.17498 0.19656 -0.11201 -0.06363 99 4ZZ -0.16858 -0.09841 -0.24409 -0.01345 0.05154 100 4XY -0.23111 -0.25460 0.29342 0.01967 0.03636 101 4XZ 0.18860 -0.18407 0.11988 0.05904 0.13728 102 4YZ -0.16611 0.22519 0.35318 -0.01424 -0.02525 103 13 C 1S -0.01274 -0.03971 0.02480 -0.00384 0.03337 104 2S -0.55284 -0.51718 0.12401 0.21073 0.77604 105 2PX 0.04861 -0.03599 -0.03779 0.02976 -0.05837 106 2PY -0.11828 -0.19552 -0.15221 0.04673 0.00273 107 2PZ -0.10339 -0.02021 0.04326 0.04472 0.12948 108 3S 2.13237 1.96119 -1.82071 -0.31160 -3.47670 109 3PX -1.40544 -0.68073 0.94696 -0.02085 0.67730 110 3PY -0.78552 -0.42046 -1.02745 0.09954 -1.02641 111 3PZ 0.98629 0.64099 -0.79366 -0.06202 -1.45693 112 4XX 0.10144 -0.06130 -0.06524 0.04915 -0.14617 113 4YY -0.19656 0.17498 -0.19648 -0.11216 0.06363 114 4ZZ 0.16858 -0.09841 0.24409 -0.01326 -0.05155 115 4XY -0.23111 0.25461 0.29344 -0.01945 0.03636 116 4XZ -0.18861 -0.18407 -0.11992 0.05895 -0.13727 117 4YZ -0.16611 -0.22519 0.35317 0.01451 -0.02525 118 14 C 1S 0.00354 -0.00394 -0.01169 0.02052 0.00080 119 2S 0.12953 -0.01794 -0.14408 -0.00400 0.01704 120 2PX -0.06562 -0.20077 0.00677 0.03325 0.07922 121 2PY 0.02134 -0.00506 -0.00368 -0.02441 -0.05938 122 2PZ -0.00069 0.12019 0.00530 -0.04748 -0.00891 123 3S -0.93930 -0.03075 1.20649 -0.35456 0.73493 124 3PX -1.87112 -1.82693 -0.28267 0.55296 0.49636 125 3PY -0.46282 -0.03960 1.29405 -0.37547 1.41643 126 3PZ 1.17022 1.21607 0.19366 -0.28843 -0.16796 127 4XX -0.03416 -0.17768 -0.07434 0.08019 0.08258 128 4YY -0.06211 0.03066 0.03929 -0.04065 -0.02639 129 4ZZ 0.04661 0.13958 0.05518 0.01709 -0.03785 130 4XY 0.08117 -0.13503 0.14340 0.03832 -0.08914 131 4XZ -0.11573 -0.13071 0.04098 0.16404 0.13922 132 4YZ -0.03978 0.14133 0.05561 -0.05266 -0.00014 133 15 C 1S 0.01223 0.05232 0.00284 -0.02380 0.00307 134 2S 0.26063 0.37821 0.20856 -0.20478 -0.04039 135 2PX -0.00653 -0.05209 0.04383 0.02955 -0.02643 136 2PY 0.25679 0.19956 0.05295 -0.10281 -0.09947 137 2PZ -0.03211 0.04064 0.01029 -0.03393 0.00521 138 3S -0.42567 -1.91546 -1.54229 0.82072 -1.19142 139 3PX -0.40695 -0.59085 -0.67972 0.30875 -0.25753 140 3PY 1.22385 0.51450 -0.34345 -0.10650 -0.96549 141 3PZ 0.32000 0.43144 0.63193 -0.22341 0.19113 142 4XX -0.18446 -0.00800 -0.10347 0.00735 0.16194 143 4YY 0.27812 -0.18172 0.07199 0.07714 -0.14501 144 4ZZ -0.03474 0.26198 -0.00408 -0.09242 -0.05660 145 4XY -0.24771 0.21585 0.21615 -0.09204 -0.02967 146 4XZ 0.27315 0.29874 -0.02207 -0.14263 -0.06857 147 4YZ -0.07801 -0.12424 0.22257 0.06739 -0.09636 148 16 C 1S -0.01223 0.05232 -0.00282 -0.02381 -0.00307 149 2S -0.26062 0.37821 -0.20840 -0.20493 0.04040 150 2PX 0.00653 -0.05210 -0.04385 0.02952 0.02643 151 2PY 0.25679 -0.19956 0.05287 0.10285 -0.09947 152 2PZ 0.03211 0.04064 -0.01026 -0.03394 -0.00521 153 3S 0.42564 -1.91548 1.54167 0.82193 1.19141 154 3PX 0.40695 -0.59086 0.67948 0.30928 0.25751 155 3PY 1.22384 -0.51451 -0.34353 0.10620 -0.96549 156 3PZ -0.32000 0.43145 -0.63176 -0.22390 -0.19113 157 4XX 0.18446 -0.00801 0.10347 0.00742 -0.16194 158 4YY -0.27812 -0.18171 -0.07205 0.07708 0.14501 159 4ZZ 0.03474 0.26198 0.00415 -0.09241 0.05660 160 4XY -0.24772 -0.21585 0.21608 0.09221 -0.02967 161 4XZ -0.27314 0.29875 0.02218 -0.14261 0.06857 162 4YZ -0.07800 0.12423 0.22262 -0.06723 -0.09636 163 17 C 1S -0.00354 -0.00394 0.01167 0.02053 -0.00080 164 2S -0.12953 -0.01794 0.14408 -0.00389 -0.01704 165 2PX 0.06561 -0.20077 -0.00680 0.03324 -0.07922 166 2PY 0.02134 0.00506 -0.00370 0.02440 -0.05938 167 2PZ 0.00069 0.12019 -0.00527 -0.04749 0.00891 168 3S 0.93930 -0.03076 -1.20620 -0.35551 -0.73491 169 3PX 1.87109 -1.82696 0.28227 0.55316 -0.49634 170 3PY -0.46285 0.03962 1.29376 0.37650 1.41645 171 3PZ -1.17020 1.21609 -0.19345 -0.28857 0.16796 172 4XX 0.03417 -0.17768 0.07429 0.08025 -0.08258 173 4YY 0.06211 0.03066 -0.03926 -0.04068 0.02639 174 4ZZ -0.04661 0.13958 -0.05520 0.01705 0.03785 175 4XY 0.08117 0.13503 0.14343 -0.03821 -0.08913 176 4XZ 0.11573 -0.13071 -0.04110 0.16400 -0.13922 177 4YZ -0.03978 -0.14133 0.05557 0.05271 -0.00013 178 18 H 1S 0.06752 0.08586 0.32660 0.04904 0.08800 179 2S -0.17722 0.10171 0.29123 -0.01607 0.37170 180 19 H 1S -0.06752 0.08586 -0.32664 0.04879 -0.08800 181 2S 0.17723 0.10170 -0.29123 -0.01630 -0.37170 182 20 H 1S 0.27931 0.06678 -0.07168 -0.01433 -0.12229 183 2S 0.03550 -0.04770 -0.20425 0.04633 -0.15460 184 21 H 1S -0.27931 0.06678 0.07169 -0.01427 0.12229 185 2S -0.03550 -0.04770 0.20422 0.04649 0.15460 186 22 O 1S -0.00134 0.00137 0.00987 0.00090 0.00461 187 2S -0.04376 -0.01269 0.17798 0.09532 0.18899 188 2PX 0.05297 -0.07949 0.00771 0.02234 -0.00868 189 2PY 0.02057 0.01608 -0.02812 -0.03116 0.01421 190 2PZ -0.03313 0.05600 0.00533 -0.00177 0.00449 191 3S 0.15471 -0.05206 -0.75844 -0.25760 -0.91364 192 3PX -0.39698 0.43273 -0.13627 -0.13796 0.06354 193 3PY -0.02319 0.02018 0.14532 0.06753 0.16723 194 3PZ 0.23551 -0.28810 -0.02221 0.04069 -0.06289 195 4XX -0.07660 0.09973 -0.01666 -0.00470 -0.01540 196 4YY 0.02000 -0.02450 0.05907 0.01200 0.08901 197 4ZZ 0.03130 -0.07794 0.04791 0.01663 -0.05407 198 4XY 0.36591 -0.26905 0.19799 0.06683 -0.09146 199 4XZ -0.05870 0.03487 -0.02263 -0.04041 0.01990 200 4YZ -0.17775 0.15529 0.03570 -0.02553 0.02687 201 23 O 1S 0.00134 0.00137 -0.00987 0.00090 -0.00461 202 2S 0.04375 -0.01269 -0.17806 0.09518 -0.18898 203 2PX -0.05297 -0.07949 -0.00773 0.02234 0.00867 204 2PY 0.02057 -0.01608 -0.02814 0.03113 0.01421 205 2PZ 0.03313 0.05600 -0.00533 -0.00178 -0.00449 206 3S -0.15470 -0.05207 0.75864 -0.25699 0.91363 207 3PX 0.39699 0.43273 0.13638 -0.13786 -0.06353 208 3PY -0.02319 -0.02019 0.14537 -0.06741 0.16723 209 3PZ -0.23551 -0.28809 0.02218 0.04071 0.06289 210 4XX 0.07660 0.09974 0.01667 -0.00469 0.01539 211 4YY -0.02001 -0.02451 -0.05908 0.01196 -0.08901 212 4ZZ -0.03130 -0.07794 -0.04792 0.01660 0.05407 213 4XY 0.36592 0.26905 0.19804 -0.06668 -0.09147 214 4XZ 0.05869 0.03487 0.02266 -0.04039 -0.01990 215 4YZ -0.17775 -0.15529 0.03568 0.02556 0.02687 181 182 183 184 185 V V V V V Eigenvalues -- 2.45157 2.45285 2.52411 2.57313 2.58327 1 1 C 1S 0.06908 -0.04744 -0.01492 0.01531 -0.02164 2 2S 0.12604 -0.99855 -0.01291 -0.08101 -0.43435 3 2PX -0.05781 0.00507 -0.06339 -0.00381 0.04425 4 2PY -0.17535 -0.22057 0.00787 -0.04129 -0.12111 5 2PZ -0.06307 0.02026 0.05348 0.02633 -0.04184 6 3S -2.35331 2.26920 0.43301 -0.38826 1.33088 7 3PX -0.09950 -0.01185 0.10912 -0.09372 0.25379 8 3PY -1.03727 1.33011 0.33853 -0.25073 0.84484 9 3PZ -0.08770 -0.71573 -0.09664 -0.10284 -0.44470 10 4XX 0.27969 -0.18186 -0.15411 -0.02094 0.06776 11 4YY -0.32568 0.11083 0.08378 -0.01319 -0.00358 12 4ZZ 0.10991 0.22016 0.03098 0.08397 -0.00166 13 4XY -0.03441 -0.07531 -0.02671 -0.01985 0.03605 14 4XZ 0.45256 -0.13448 -0.01494 0.03208 -0.10207 15 4YZ -0.22004 -0.21049 0.12411 -0.04884 -0.16328 16 2 C 1S -0.02725 -0.00728 0.00625 -0.00807 0.03437 17 2S -0.10331 -0.20833 0.17821 -0.06900 -0.07947 18 2PX -0.09004 0.10918 -0.03192 -0.00208 0.09292 19 2PY -0.09342 -0.01521 0.02771 -0.01875 -0.13429 20 2PZ 0.05535 -0.04259 0.01693 0.00627 -0.03812 21 3S 0.89819 -0.86749 -0.39634 0.52402 -1.77725 22 3PX -0.47283 0.44187 0.19228 -0.16862 0.47861 23 3PY 0.07946 -0.05781 -0.07378 0.21292 -0.60852 24 3PZ 0.29821 -0.27386 -0.06707 0.22984 -0.40572 25 4XX 0.16354 -0.25407 -0.02504 -0.03096 0.08990 26 4YY -0.01327 0.00549 -0.04743 -0.02151 -0.25697 27 4ZZ -0.17093 0.25994 0.06398 0.05353 0.19783 28 4XY 0.03741 -0.25028 0.03041 -0.01732 -0.01709 29 4XZ -0.24072 -0.23741 -0.01983 -0.11441 0.07652 30 4YZ -0.00081 -0.24932 -0.04741 0.01374 -0.04738 31 3 C 1S -0.02725 0.00730 0.00625 0.00807 -0.03437 32 2S -0.10319 0.20839 0.17821 0.06900 0.07947 33 2PX -0.09010 -0.10913 -0.03192 0.00208 -0.09292 34 2PY 0.09341 -0.01526 -0.02771 -0.01875 -0.13429 35 2PZ 0.05537 0.04256 0.01693 -0.00627 0.03812 36 3S 0.89865 0.86698 -0.39630 -0.52401 1.77725 37 3PX -0.47307 -0.44160 0.19226 0.16862 -0.47861 38 3PY -0.07948 -0.05776 0.07377 0.21292 -0.60852 39 3PZ 0.29836 0.27369 -0.06706 -0.22984 0.40572 40 4XX 0.16369 0.25397 -0.02504 0.03096 -0.08990 41 4YY -0.01327 -0.00548 -0.04743 0.02151 0.25697 42 4ZZ -0.17109 -0.25984 0.06398 -0.05353 -0.19783 43 4XY -0.03756 -0.25026 -0.03041 -0.01731 -0.01709 44 4XZ -0.24059 0.23755 -0.01983 0.11441 -0.07652 45 4YZ 0.00066 -0.24933 0.04741 0.01374 -0.04738 46 4 C 1S 0.06910 0.04740 -0.01492 -0.01531 0.02164 47 2S 0.12658 0.99848 -0.01290 0.08101 0.43435 48 2PX -0.05781 -0.00504 -0.06340 0.00381 -0.04425 49 2PY 0.17523 -0.22067 -0.00787 -0.04129 -0.12111 50 2PZ -0.06308 -0.02023 0.05348 -0.02632 0.04184 51 3S -2.35452 -2.26786 0.43296 0.38826 -1.33089 52 3PX -0.09950 0.01191 0.10912 0.09372 -0.25379 53 3PY 1.03799 1.32953 -0.33851 -0.25074 0.84485 54 3PZ -0.08731 0.71578 -0.09663 0.10284 0.44470 55 4XX 0.27981 0.18170 -0.15411 0.02094 -0.06776 56 4YY -0.32574 -0.11064 0.08378 0.01319 0.00358 57 4ZZ 0.10977 -0.22022 0.03098 -0.08397 0.00166 58 4XY 0.03437 -0.07533 0.02671 -0.01985 0.03605 59 4XZ 0.45264 0.13422 -0.01494 -0.03209 0.10207 60 4YZ 0.21992 -0.21062 -0.12411 -0.04884 -0.16328 61 5 H 1S 0.16790 -0.06700 0.00851 -0.00361 0.00659 62 2S -0.17628 0.40712 0.11780 -0.05476 0.24432 63 6 H 1S -0.06337 -0.10277 0.02286 -0.02736 0.01909 64 2S 0.12313 -0.06372 -0.03187 0.09714 -0.18552 65 7 H 1S -0.06331 0.10280 0.02286 0.02736 -0.01909 66 2S 0.12317 0.06365 -0.03187 -0.09714 0.18552 67 8 H 1S 0.16794 0.06690 0.00851 0.00361 -0.00659 68 2S -0.17650 -0.40702 0.11779 0.05477 -0.24432 69 9 C 1S -0.09095 0.00003 0.00976 0.00000 0.00000 70 2S -0.25821 0.00007 -0.12695 0.00000 0.00000 71 2PX 0.12986 -0.00004 -0.04453 0.00000 0.00000 72 2PY 0.00004 0.14840 0.00000 -0.03016 0.02592 73 2PZ -0.23380 0.00007 0.09937 0.00000 0.00000 74 3S 2.91907 -0.00083 -0.25394 -0.00001 0.00000 75 3PX 0.23408 -0.00007 -0.04602 0.00000 0.00000 76 3PY 0.00003 0.14674 0.00001 -0.20587 -0.05670 77 3PZ -1.39080 0.00040 0.18193 0.00000 0.00000 78 4XX -0.55100 0.00016 0.04771 0.00000 0.00000 79 4YY 0.34722 -0.00010 -0.14211 0.00000 0.00000 80 4ZZ 0.11257 -0.00003 0.10906 0.00000 0.00000 81 4XY -0.00004 -0.15330 0.00000 -0.08875 -0.13336 82 4XZ -0.53606 0.00015 0.31425 0.00000 0.00000 83 4YZ 0.00003 0.10460 0.00000 0.09184 0.16474 84 10 H 1S -0.07975 0.00002 0.07844 0.00000 0.00000 85 2S 0.01939 0.00000 -0.05402 0.00000 0.00000 86 11 H 1S 0.24428 -0.00007 -0.19384 0.00000 0.00000 87 2S 0.08081 -0.00002 0.02837 0.00000 0.00000 88 12 C 1S 0.01061 -0.04663 0.04785 0.05094 -0.02221 89 2S 0.20790 -0.67034 0.35079 0.15413 -0.34808 90 2PX 0.08672 -0.01540 0.12312 0.03479 0.01297 91 2PY -0.05536 0.00759 -0.21656 0.19760 -0.02321 92 2PZ 0.02757 -0.03718 -0.05981 0.02178 -0.03869 93 3S -0.49140 2.90261 -1.89775 -2.08818 1.32969 94 3PX 0.14082 0.16720 0.82217 0.47814 -0.05369 95 3PY -0.07555 -0.33159 -0.16081 1.24145 -0.12490 96 3PZ -0.19579 0.72684 -0.61202 -0.47652 0.44242 97 4XX 0.04104 0.02109 -0.10588 0.17338 0.17350 98 4YY -0.03980 -0.04723 -0.05247 -0.42735 0.05206 99 4ZZ -0.03672 0.09753 0.13642 0.21367 -0.14303 100 4XY 0.04341 -0.04171 0.18989 -0.32102 -0.12997 101 4XZ 0.09636 0.05324 0.34271 0.20801 0.08965 102 4YZ -0.04593 -0.09562 -0.13180 0.09353 -0.41213 103 13 C 1S 0.01063 0.04662 0.04785 -0.05094 0.02221 104 2S 0.20825 0.67021 0.35080 -0.15413 0.34808 105 2PX 0.08673 0.01535 0.12312 -0.03479 -0.01296 106 2PY 0.05536 0.00755 0.21656 0.19760 -0.02321 107 2PZ 0.02759 0.03717 -0.05981 -0.02178 0.03869 108 3S -0.49287 -2.90231 -1.89778 2.08820 -1.32970 109 3PX 0.14069 -0.16728 0.82218 -0.47814 0.05369 110 3PY 0.07542 -0.33164 0.16079 1.24145 -0.12490 111 3PZ -0.19614 -0.72672 -0.61204 0.47652 -0.44242 112 4XX 0.04103 -0.02111 -0.10589 -0.17338 -0.17350 113 4YY -0.03976 0.04725 -0.05246 0.42736 -0.05205 114 4ZZ -0.03678 -0.09751 0.13642 -0.21368 0.14303 115 4XY -0.04344 -0.04169 -0.18989 -0.32101 -0.12997 116 4XZ 0.09633 -0.05329 0.34270 -0.20801 -0.08965 117 4YZ 0.04587 -0.09565 0.13180 0.09353 -0.41213 118 14 C 1S -0.03278 0.00639 -0.10132 0.00090 0.01827 119 2S -0.04014 0.04555 -0.47001 0.11521 0.07229 120 2PX 0.01130 0.03319 0.01965 0.00080 0.04034 121 2PY 0.04628 -0.06223 0.11337 0.02370 -0.05358 122 2PZ 0.03789 -0.00534 -0.04168 -0.05861 0.02043 123 3S 0.79268 0.09967 2.67717 -0.30071 -0.43851 124 3PX 0.13271 0.80669 0.60044 -0.07608 0.72749 125 3PY 0.18378 0.46261 1.49404 -0.35845 -0.26585 126 3PZ -0.05306 -0.39412 -0.23543 -0.11733 -0.37187 127 4XX 0.05844 0.19294 0.02167 -0.12812 -0.27953 128 4YY 0.05897 -0.03286 0.21189 -0.07614 -0.01154 129 4ZZ -0.20704 -0.14327 -0.34241 0.17941 0.32068 130 4XY -0.01757 -0.08382 0.13447 -0.08284 -0.03818 131 4XZ -0.14314 0.08745 -0.50529 -0.06308 -0.05992 132 4YZ -0.02254 -0.05108 0.16964 0.36893 -0.23041 133 15 C 1S 0.00957 -0.00600 0.03541 0.04325 -0.02773 134 2S 0.10399 -0.10473 0.12077 0.04456 -0.21507 135 2PX -0.00827 -0.03027 -0.10576 -0.01745 0.02739 136 2PY 0.06187 -0.05952 0.15056 -0.19597 -0.01839 137 2PZ 0.03707 -0.01275 0.07274 0.01941 0.03203 138 3S -0.25992 -0.04288 -0.82265 -1.23730 1.43932 139 3PX -0.15481 0.12668 -0.51710 -0.12001 0.64861 140 3PY -0.02647 -0.72777 -0.16165 -0.72625 0.02913 141 3PZ 0.09456 -0.21694 0.37897 0.11582 -0.48820 142 4XX 0.02312 0.18111 -0.06861 -0.01413 -0.04926 143 4YY -0.04531 -0.09321 0.00711 -0.35128 0.00295 144 4ZZ 0.00840 -0.11149 0.08903 0.34975 0.04901 145 4XY 0.04710 -0.21175 0.10454 -0.09808 0.32609 146 4XZ 0.07505 -0.06883 0.26445 0.20518 -0.23732 147 4YZ -0.06486 -0.26593 -0.06528 0.26372 0.28899 148 16 C 1S 0.00957 0.00600 0.03541 -0.04325 0.02773 149 2S 0.10405 0.10467 0.12077 -0.04456 0.21507 150 2PX -0.00825 0.03028 -0.10576 0.01745 -0.02739 151 2PY -0.06190 -0.05948 -0.15056 -0.19596 -0.01839 152 2PZ 0.03708 0.01273 0.07274 -0.01941 -0.03203 153 3S -0.25996 0.04302 -0.82263 1.23731 -1.43932 154 3PX -0.15490 -0.12660 -0.51709 0.12001 -0.64861 155 3PY 0.02610 -0.72779 0.16164 -0.72625 0.02914 156 3PZ 0.09470 0.21688 0.37896 -0.11582 0.48820 157 4XX 0.02302 -0.18113 -0.06861 0.01413 0.04927 158 4YY -0.04526 0.09324 0.00711 0.35128 -0.00296 159 4ZZ 0.00846 0.11148 0.08903 -0.34976 -0.04901 160 4XY -0.04722 -0.21172 -0.10454 -0.09808 0.32608 161 4XZ 0.07508 0.06878 0.26445 -0.20518 0.23732 162 4YZ 0.06471 -0.26596 0.06528 0.26372 0.28899 163 17 C 1S -0.03278 -0.00637 -0.10132 -0.00090 -0.01827 164 2S -0.04017 -0.04553 -0.47001 -0.11521 -0.07229 165 2PX 0.01128 -0.03319 0.01964 -0.00080 -0.04034 166 2PY -0.04631 -0.06220 -0.11338 0.02370 -0.05358 167 2PZ 0.03789 0.00532 -0.04167 0.05861 -0.02043 168 3S 0.79267 -0.10013 2.67717 0.30067 0.43853 169 3PX 0.13228 -0.80677 0.60043 0.07607 -0.72749 170 3PY -0.18359 0.46273 -1.49403 -0.35844 -0.26585 171 3PZ -0.05284 0.39416 -0.23543 0.11733 0.37186 172 4XX 0.05834 -0.19298 0.02167 0.12811 0.27953 173 4YY 0.05899 0.03282 0.21189 0.07615 0.01154 174 4ZZ -0.20696 0.14339 -0.34241 -0.17941 -0.32068 175 4XY 0.01752 -0.08383 -0.13447 -0.08284 -0.03819 176 4XZ -0.14318 -0.08736 -0.50530 0.06309 0.05991 177 4YZ 0.02252 -0.05109 -0.16963 0.36893 -0.23042 178 18 H 1S 0.04272 -0.18003 0.00015 0.09916 -0.11228 179 2S -0.07189 0.01086 -0.10445 -0.34706 0.11125 180 19 H 1S 0.04282 0.18000 0.00014 -0.09916 0.11228 181 2S -0.07188 -0.01082 -0.10445 0.34706 -0.11125 182 20 H 1S -0.01772 -0.07994 0.01272 0.19596 -0.11129 183 2S -0.03290 -0.05184 -0.16389 -0.19251 0.18822 184 21 H 1S -0.01768 0.07995 0.01272 -0.19596 0.11129 185 2S -0.03288 0.05186 -0.16389 0.19251 -0.18822 186 22 O 1S 0.00663 -0.00066 0.00904 -0.00133 0.00039 187 2S -0.03233 0.03058 -0.29676 -0.05840 -0.07281 188 2PX -0.00770 -0.02194 0.00989 0.02084 -0.02084 189 2PY 0.03656 0.01884 0.12539 0.01717 0.02458 190 2PZ -0.00900 0.00617 -0.02012 -0.01171 0.01114 191 3S -0.08207 -0.26129 0.57446 0.21377 0.14368 192 3PX -0.02371 0.16676 -0.08229 -0.04508 0.19602 193 3PY 0.01550 0.03125 -0.14991 -0.06117 -0.04237 194 3PZ -0.00343 -0.06519 0.12570 -0.12060 0.00271 195 4XX -0.03714 0.02041 -0.06366 -0.05361 -0.10378 196 4YY 0.04027 0.05088 0.06445 0.04060 -0.00329 197 4ZZ 0.02780 -0.09060 0.01529 -0.00208 0.10270 198 4XY 0.03295 -0.12224 0.00211 -0.06385 -0.16198 199 4XZ 0.01104 0.03111 0.10130 -0.04282 -0.00931 200 4YZ 0.05799 -0.00619 -0.13731 0.35544 -0.15037 201 23 O 1S 0.00663 0.00066 0.00904 0.00133 -0.00039 202 2S -0.03234 -0.03056 -0.29676 0.05839 0.07282 203 2PX -0.00769 0.02195 0.00989 -0.02084 0.02084 204 2PY -0.03655 0.01886 -0.12539 0.01716 0.02458 205 2PZ -0.00901 -0.00616 -0.02012 0.01171 -0.01114 206 3S -0.08196 0.26133 0.57447 -0.21376 -0.14369 207 3PX -0.02380 -0.16675 -0.08229 0.04508 -0.19602 208 3PY -0.01549 0.03126 0.14991 -0.06116 -0.04238 209 3PZ -0.00339 0.06519 0.12570 0.12060 -0.00270 210 4XX -0.03715 -0.02039 -0.06366 0.05361 0.10377 211 4YY 0.04024 -0.05090 0.06445 -0.04060 0.00330 212 4ZZ 0.02785 0.09059 0.01529 0.00208 -0.10270 213 4XY -0.03302 -0.12222 -0.00211 -0.06385 -0.16198 214 4XZ 0.01102 -0.03112 0.10130 0.04282 0.00931 215 4YZ -0.05799 -0.00616 0.13731 0.35544 -0.15036 186 187 188 189 190 V V V V V Eigenvalues -- 2.59382 2.61406 2.62376 2.63840 2.66181 1 1 C 1S 0.00450 0.04157 0.00222 -0.06172 0.03191 2 2S 0.00806 0.20372 -0.05970 -0.40545 0.06083 3 2PX 0.02989 -0.23347 0.02745 0.07131 -0.23737 4 2PY 0.00212 -0.01693 -0.00960 0.05151 -0.01883 5 2PZ -0.04130 0.16462 -0.01884 0.00895 0.20598 6 3S -0.22631 -2.69035 -0.01941 2.01065 -1.13438 7 3PX -0.02561 -0.73127 -0.03222 0.08258 -0.79650 8 3PY -0.29156 -1.16256 -0.12626 1.00247 -0.37848 9 3PZ -0.00866 0.52136 -0.05284 -0.05563 0.62088 10 4XX 0.05502 -0.06678 0.03216 -0.08796 -0.36439 11 4YY -0.02859 -0.01681 0.02135 0.19184 0.51184 12 4ZZ -0.01418 0.08675 -0.02198 -0.03022 -0.20544 13 4XY 0.04364 -0.17036 0.05071 0.00436 -0.28997 14 4XZ 0.03210 0.32217 0.04171 -0.20364 0.52823 15 4YZ -0.05856 0.11098 -0.06328 0.13088 0.23187 16 2 C 1S -0.00137 -0.11504 0.00223 -0.00685 -0.04852 17 2S 0.00606 -0.41232 0.00534 0.00060 0.01844 18 2PX -0.00527 -0.08700 -0.00359 0.07639 -0.31348 19 2PY -0.00647 0.32167 -0.00372 0.20762 -0.16465 20 2PZ -0.00396 0.06304 0.00196 -0.04233 0.21746 21 3S 0.07616 5.45857 -0.00895 -0.57879 1.37963 22 3PX -0.03953 -1.70559 0.01820 0.44636 -0.64871 23 3PY 0.04858 1.93289 0.01040 0.08728 -0.14130 24 3PZ 0.01892 1.28409 -0.00848 -0.48765 0.49646 25 4XX 0.00282 -0.14675 -0.01074 -0.19312 0.22656 26 4YY 0.00719 0.63369 0.01870 0.38629 -0.12977 27 4ZZ -0.03468 -0.44607 -0.00938 -0.13743 -0.03026 28 4XY -0.00881 -0.02302 0.01559 -0.12116 0.26710 29 4XZ 0.03304 -0.53766 0.03022 0.13330 -0.42871 30 4YZ 0.01126 0.00585 -0.00625 -0.03632 -0.18450 31 3 C 1S -0.00137 0.11504 0.00224 0.00685 -0.04852 32 2S 0.00606 0.41233 0.00535 -0.00060 0.01843 33 2PX -0.00527 0.08699 -0.00359 -0.07639 -0.31348 34 2PY 0.00647 0.32167 0.00373 0.20761 0.16466 35 2PZ -0.00396 -0.06304 0.00196 0.04233 0.21746 36 3S 0.07617 -5.45856 -0.00910 0.57878 1.37972 37 3PX -0.03953 1.70559 0.01825 -0.44636 -0.64875 38 3PY -0.04859 1.93288 -0.01035 0.08728 0.14128 39 3PZ 0.01892 -1.28410 -0.00852 0.48765 0.49649 40 4XX 0.00282 0.14676 -0.01074 0.19312 0.22657 41 4YY 0.00719 -0.63370 0.01868 -0.38629 -0.12977 42 4ZZ -0.03469 0.44607 -0.00937 0.13743 -0.03026 43 4XY 0.00881 -0.02302 -0.01559 -0.12116 -0.26710 44 4XZ 0.03304 0.53766 0.03024 -0.13329 -0.42872 45 4YZ -0.01126 0.00585 0.00625 -0.03631 0.18449 46 4 C 1S 0.00450 -0.04157 0.00222 0.06172 0.03192 47 2S 0.00806 -0.20372 -0.05972 0.40545 0.06084 48 2PX 0.02989 0.23346 0.02746 -0.07130 -0.23737 49 2PY -0.00212 -0.01693 0.00960 0.05151 0.01884 50 2PZ -0.04130 -0.16462 -0.01884 -0.00895 0.20598 51 3S -0.22631 2.69033 -0.01931 -2.01064 -1.13446 52 3PX -0.02561 0.73126 -0.03220 -0.08257 -0.79651 53 3PY 0.29156 -1.16256 0.12622 1.00247 0.37853 54 3PZ -0.00866 -0.52135 -0.05286 0.05561 0.62088 55 4XX 0.05502 0.06678 0.03216 0.08796 -0.36438 56 4YY -0.02859 0.01682 0.02135 -0.19185 0.51183 57 4ZZ -0.01418 -0.08675 -0.02198 0.03023 -0.20543 58 4XY -0.04364 -0.17036 -0.05071 0.00436 0.28997 59 4XZ 0.03210 -0.32217 0.04170 0.20363 0.52824 60 4YZ 0.05856 0.11097 0.06329 0.13089 -0.23187 61 5 H 1S -0.01709 0.03938 -0.04009 -0.06537 -0.17221 62 2S -0.12362 -0.22700 -0.04056 0.23790 -0.09051 63 6 H 1S 0.00954 -0.13859 0.01636 -0.02885 -0.00162 64 2S 0.00778 0.65586 -0.01596 -0.11229 0.15571 65 7 H 1S 0.00954 0.13858 0.01636 0.02886 -0.00162 66 2S 0.00778 -0.65586 -0.01598 0.11228 0.15572 67 8 H 1S -0.01709 -0.03938 -0.04009 0.06537 -0.17221 68 2S -0.12362 0.22700 -0.04055 -0.23790 -0.09053 69 9 C 1S -0.01378 0.00000 -0.00981 0.00000 0.04375 70 2S -0.07782 0.00000 -0.04436 0.00000 0.11160 71 2PX 0.02938 0.00000 0.01692 0.00000 -0.02825 72 2PY 0.00000 -0.10792 0.00000 0.24166 0.00000 73 2PZ -0.02381 0.00000 -0.00783 0.00000 0.07894 74 3S 0.51481 0.00000 0.25434 0.00001 -0.52924 75 3PX 0.05363 0.00000 0.03558 0.00000 0.03924 76 3PY 0.00000 -0.11963 0.00000 0.69691 0.00001 77 3PZ -0.31190 0.00000 -0.18775 -0.00001 0.24274 78 4XX -0.05908 0.00000 -0.05689 0.00000 0.08394 79 4YY 0.05768 0.00000 0.08838 0.00000 0.15157 80 4ZZ 0.01425 0.00000 -0.02521 0.00000 -0.21335 81 4XY 0.00000 0.07954 0.00000 0.20791 0.00001 82 4XZ -0.09625 0.00000 -0.05433 0.00000 0.26808 83 4YZ 0.00000 -0.01554 0.00000 -0.42497 -0.00001 84 10 H 1S -0.03911 0.00000 -0.02055 0.00000 0.09840 85 2S 0.06876 0.00000 0.05215 0.00000 -0.08551 86 11 H 1S 0.04559 0.00000 0.03881 0.00000 -0.01617 87 2S 0.03274 0.00000 0.03257 0.00000 -0.02081 88 12 C 1S 0.00025 -0.00572 -0.01338 -0.03638 -0.01570 89 2S -0.00325 -0.10912 0.16534 -0.25826 -0.09258 90 2PX 0.00321 -0.08476 -0.10524 0.03512 -0.00881 91 2PY -0.00641 0.04210 0.16074 -0.10808 0.04059 92 2PZ -0.01046 0.01072 0.08291 -0.00595 0.00574 93 3S 0.01471 0.34669 -0.09645 1.46547 0.61080 94 3PX -0.08549 0.28250 0.05195 0.20056 -0.20427 95 3PY -0.10467 -0.21360 -0.05487 -0.46924 0.13021 96 3PZ 0.08424 -0.20784 -0.08685 0.16130 0.19969 97 4XX 0.16230 0.13454 -0.09986 -0.20778 0.01022 98 4YY -0.05343 -0.04009 0.17615 0.23411 0.00410 99 4ZZ -0.09795 -0.08466 -0.20712 0.01917 -0.02242 100 4XY 0.03086 -0.14117 -0.18882 -0.00702 -0.05915 101 4XZ -0.00919 -0.07546 0.10784 -0.02262 -0.04117 102 4YZ -0.02612 -0.11901 0.12071 -0.25063 0.01670 103 13 C 1S 0.00025 0.00572 -0.01338 0.03638 -0.01570 104 2S -0.00325 0.10912 0.16534 0.25827 -0.09259 105 2PX 0.00321 0.08476 -0.10524 -0.03512 -0.00881 106 2PY 0.00641 0.04210 -0.16074 -0.10808 -0.04059 107 2PZ -0.01046 -0.01072 0.08291 0.00595 0.00574 108 3S 0.01473 -0.34669 -0.09645 -1.46548 0.61079 109 3PX -0.08548 -0.28251 0.05195 -0.20056 -0.20427 110 3PY 0.10467 -0.21359 0.05486 -0.46923 -0.13022 111 3PZ 0.08424 0.20784 -0.08684 -0.16130 0.19969 112 4XX 0.16230 -0.13453 -0.09986 0.20778 0.01022 113 4YY -0.05343 0.04008 0.17614 -0.23411 0.00409 114 4ZZ -0.09795 0.08467 -0.20711 -0.01918 -0.02242 115 4XY -0.03086 -0.14117 0.18882 -0.00702 0.05915 116 4XZ -0.00919 0.07546 0.10785 0.02262 -0.04117 117 4YZ 0.02612 -0.11901 -0.12071 -0.25063 -0.01670 118 14 C 1S 0.01442 -0.00400 -0.00875 0.03223 0.02268 119 2S 0.17156 0.04784 -0.11822 0.13174 0.20103 120 2PX -0.08223 0.03159 -0.00291 -0.01344 0.00102 121 2PY -0.01344 0.00845 0.01071 -0.11611 -0.04033 122 2PZ -0.09853 0.01563 -0.02679 -0.08876 0.00793 123 3S -0.22679 -0.33261 -0.41424 -1.04672 -0.87418 124 3PX -0.05066 0.00468 0.05066 0.48248 -0.31081 125 3PY -0.30506 0.10479 0.29479 -0.34093 -0.16228 126 3PZ -0.24935 0.00782 -0.06713 -0.48080 0.07489 127 4XX 0.17146 -0.08890 -0.36772 0.00205 -0.01767 128 4YY -0.29497 0.01060 0.47840 -0.13593 -0.05285 129 4ZZ 0.11887 0.07061 -0.16031 0.16739 0.06562 130 4XY 0.33840 -0.02741 0.16788 0.32074 -0.00746 131 4XZ 0.04322 -0.09650 0.39019 0.13767 0.08532 132 4YZ 0.51917 -0.14253 0.16813 0.27925 0.01116 133 15 C 1S -0.00160 -0.00990 -0.02416 -0.03329 -0.00451 134 2S -0.03910 0.00377 0.11289 -0.27465 -0.04679 135 2PX -0.02253 0.00590 0.11430 -0.00599 0.01300 136 2PY 0.02815 0.09233 -0.16031 -0.03039 -0.02159 137 2PZ 0.01044 0.01110 -0.09834 -0.01504 -0.01716 138 3S 0.23759 0.38456 0.13679 1.64474 0.13365 139 3PX 0.11876 0.05654 -0.04302 0.81759 0.09240 140 3PY -0.05670 0.17509 -0.02089 -0.02162 0.01412 141 3PZ -0.07056 -0.03352 0.02759 -0.59715 -0.02669 142 4XX -0.00235 -0.08023 -0.21875 -0.02560 0.02312 143 4YY -0.05758 0.15320 0.16882 -0.02869 0.00417 144 4ZZ 0.08260 -0.05536 -0.10656 0.05752 -0.01299 145 4XY 0.05219 0.09820 -0.18332 0.04166 -0.01982 146 4XZ -0.10633 -0.00969 0.05487 -0.30426 -0.02853 147 4YZ -0.04233 0.05639 0.15215 0.05767 0.00624 148 16 C 1S -0.00161 0.00990 -0.02416 0.03329 -0.00451 149 2S -0.03911 -0.00377 0.11289 0.27465 -0.04678 150 2PX -0.02253 -0.00591 0.11430 0.00599 0.01300 151 2PY -0.02815 0.09233 0.16031 -0.03039 0.02158 152 2PZ 0.01044 -0.01110 -0.09834 0.01504 -0.01716 153 3S 0.23763 -0.38457 0.13676 -1.64474 0.13367 154 3PX 0.11878 -0.05654 -0.04302 -0.81759 0.09240 155 3PY 0.05669 0.17509 0.02090 -0.02161 -0.01412 156 3PZ -0.07057 0.03352 0.02760 0.59715 -0.02669 157 4XX -0.00235 0.08024 -0.21874 0.02559 0.02312 158 4YY -0.05758 -0.15320 0.16881 0.02869 0.00417 159 4ZZ 0.08260 0.05537 -0.10655 -0.05752 -0.01299 160 4XY -0.05219 0.09819 0.18333 0.04166 0.01982 161 4XZ -0.10633 0.00969 0.05487 0.30426 -0.02853 162 4YZ 0.04233 0.05639 -0.15215 0.05766 -0.00624 163 17 C 1S 0.01443 0.00400 -0.00875 -0.03223 0.02268 164 2S 0.17157 -0.04783 -0.11822 -0.13174 0.20103 165 2PX -0.08223 -0.03159 -0.00292 0.01344 0.00102 166 2PY 0.01344 0.00845 -0.01071 -0.11611 0.04033 167 2PZ -0.09853 -0.01563 -0.02679 0.08876 0.00793 168 3S -0.22681 0.33263 -0.41423 1.04673 -0.87420 169 3PX -0.05065 -0.00468 0.05065 -0.48248 -0.31080 170 3PY 0.30507 0.10479 -0.29479 -0.34093 0.16229 171 3PZ -0.24935 -0.00782 -0.06713 0.48080 0.07489 172 4XX 0.17145 0.08891 -0.36772 -0.00204 -0.01767 173 4YY -0.29497 -0.01062 0.47840 0.13593 -0.05285 174 4ZZ 0.11888 -0.07060 -0.16031 -0.16739 0.06562 175 4XY -0.33840 -0.02741 -0.16787 0.32074 0.00746 176 4XZ 0.04321 0.09648 0.39019 -0.13766 0.08532 177 4YZ -0.51917 -0.14253 -0.16815 0.27925 -0.01116 178 18 H 1S 0.02827 -0.09322 0.14930 -0.19245 -0.00329 179 2S 0.05609 -0.05741 -0.08947 0.05111 0.02296 180 19 H 1S 0.02827 0.09322 0.14930 0.19245 -0.00329 181 2S 0.05609 0.05741 -0.08947 -0.05111 0.02296 182 20 H 1S -0.07235 -0.02134 0.13371 -0.09178 -0.00456 183 2S 0.04965 0.03996 -0.11119 0.19953 0.01110 184 21 H 1S -0.07236 0.02133 0.13372 0.09178 -0.00456 185 2S 0.04966 -0.03995 -0.11119 -0.19953 0.01110 186 22 O 1S 0.00385 0.00092 -0.00339 -0.00007 -0.00376 187 2S 0.17306 0.04115 -0.49661 -0.08556 0.01329 188 2PX 0.00141 -0.01043 -0.02642 -0.02187 -0.00213 189 2PY -0.08810 0.00579 0.28206 0.02317 -0.01928 190 2PZ 0.00480 0.00195 -0.01794 0.00675 0.00942 191 3S -0.38072 -0.19343 0.89541 0.12857 0.09856 192 3PX 0.16165 0.04973 0.07983 0.00346 0.06431 193 3PY 0.19043 0.06048 -0.41297 -0.08390 -0.01836 194 3PZ 0.24716 0.03353 0.09992 -0.21989 -0.01586 195 4XX 0.10318 -0.01387 -0.06177 -0.09559 0.01565 196 4YY -0.16413 -0.01695 0.01038 0.15445 -0.05509 197 4ZZ 0.13202 0.02869 -0.11448 -0.06219 0.01882 198 4XY -0.35473 -0.07347 -0.11528 0.21698 -0.03272 199 4XZ 0.08505 -0.00651 -0.08520 -0.05938 -0.00644 200 4YZ -0.51599 -0.11094 -0.16211 0.32134 -0.00432 201 23 O 1S 0.00385 -0.00092 -0.00339 0.00007 -0.00376 202 2S 0.17306 -0.04114 -0.49661 0.08555 0.01329 203 2PX 0.00141 0.01043 -0.02642 0.02187 -0.00213 204 2PY 0.08810 0.00580 -0.28206 0.02316 0.01927 205 2PZ 0.00480 -0.00195 -0.01794 -0.00675 0.00942 206 3S -0.38072 0.19340 0.89542 -0.12857 0.09855 207 3PX 0.16165 -0.04973 0.07982 -0.00346 0.06431 208 3PY -0.19043 0.06047 0.41297 -0.08390 0.01836 209 3PZ 0.24716 -0.03353 0.09992 0.21989 -0.01586 210 4XX 0.10318 0.01387 -0.06177 0.09560 0.01565 211 4YY -0.16414 0.01695 0.01038 -0.15445 -0.05509 212 4ZZ 0.13202 -0.02868 -0.11448 0.06219 0.01882 213 4XY 0.35473 -0.07347 0.11527 0.21698 0.03271 214 4XZ 0.08506 0.00651 -0.08520 0.05938 -0.00644 215 4YZ 0.51599 -0.11094 0.16210 0.32134 0.00432 191 192 193 194 195 V V V V V Eigenvalues -- 2.66452 2.69005 2.71291 2.76348 2.84391 1 1 C 1S -0.07859 0.01440 0.04716 0.01079 0.04271 2 2S -0.32601 -0.00956 0.50539 0.22195 0.36114 3 2PX 0.11740 -0.10116 -0.07085 0.04982 -0.01170 4 2PY 0.09626 0.01313 0.02166 0.06304 0.06920 5 2PZ 0.00941 0.10248 0.00978 -0.01007 0.07496 6 3S 2.78754 -0.42105 -2.34281 -0.41846 -1.98878 7 3PX 0.38390 -0.37855 -0.23157 0.08658 -0.24467 8 3PY 1.49253 -0.02400 -1.09666 -0.41748 -1.13911 9 3PZ -0.16738 0.33676 0.42954 0.17054 0.42967 10 4XX -0.19191 -0.01211 -0.02050 -0.05487 -0.10065 11 4YY 0.23548 -0.32486 -0.08421 0.01781 0.03132 12 4ZZ -0.01687 0.35477 0.00724 0.01043 0.06076 13 4XY -0.00198 -0.43378 0.00931 0.07472 0.01193 14 4XZ -0.33545 -0.05444 0.11797 -0.09363 -0.01434 15 4YZ 0.20580 0.38719 -0.02343 0.04627 0.07267 16 2 C 1S 0.02263 -0.02361 -0.03194 0.00643 -0.02232 17 2S 0.27897 0.02058 -0.20441 0.06514 -0.23106 18 2PX 0.06993 -0.04455 -0.04615 0.00488 -0.03003 19 2PY 0.14629 0.06372 0.04478 0.03585 0.02090 20 2PZ -0.05374 0.06334 0.02899 -0.00711 0.02052 21 3S -2.36558 0.65809 2.46781 0.08481 2.34364 22 3PX 1.09084 -0.25693 -0.95089 -0.01531 -0.89131 23 3PY -0.41948 -0.18705 0.63329 0.04358 0.72030 24 3PZ -0.83040 0.19454 0.61822 0.00352 0.59659 25 4XX -0.26869 0.12305 0.04960 -0.05287 0.02637 26 4YY 0.29440 -0.22239 0.06925 0.05603 0.05167 27 4ZZ -0.01554 0.11138 -0.09913 -0.00283 -0.01235 28 4XY -0.12948 -0.13504 0.05083 0.00410 -0.01015 29 4XZ 0.23958 -0.33711 -0.10202 0.07609 -0.07714 30 4YZ -0.02076 0.06484 -0.01379 0.01950 -0.00958 31 3 C 1S -0.02263 -0.02361 0.03194 -0.00643 0.02232 32 2S -0.27897 0.02058 0.20441 -0.06514 0.23106 33 2PX -0.06992 -0.04455 0.04615 -0.00488 0.03003 34 2PY 0.14629 -0.06372 0.04478 0.03585 0.02090 35 2PZ 0.05374 0.06334 -0.02899 0.00711 -0.02052 36 3S 2.36556 0.65810 -2.46781 -0.08481 -2.34365 37 3PX -1.09083 -0.25693 0.95089 0.01531 0.89131 38 3PY -0.41948 0.18705 0.63328 0.04358 0.72029 39 3PZ 0.83039 0.19455 -0.61822 -0.00353 -0.59659 40 4XX 0.26869 0.12305 -0.04960 0.05287 -0.02637 41 4YY -0.29440 -0.22239 -0.06925 -0.05603 -0.05167 42 4ZZ 0.01554 0.11138 0.09913 0.00283 0.01235 43 4XY -0.12948 0.13504 0.05083 0.00410 -0.01015 44 4XZ -0.23957 -0.33711 0.10202 -0.07609 0.07714 45 4YZ -0.02076 -0.06484 -0.01379 0.01950 -0.00958 46 4 C 1S 0.07859 0.01440 -0.04716 -0.01079 -0.04271 47 2S 0.32601 -0.00956 -0.50539 -0.22195 -0.36113 48 2PX -0.11739 -0.10116 0.07085 -0.04982 0.01170 49 2PY 0.09626 -0.01313 0.02166 0.06304 0.06920 50 2PZ -0.00941 0.10247 -0.00978 0.01007 -0.07496 51 3S -2.78751 -0.42106 2.34282 0.41847 1.98878 52 3PX -0.38389 -0.37855 0.23157 -0.08658 0.24467 53 3PY 1.49252 0.02401 -1.09666 -0.41749 -1.13912 54 3PZ 0.16736 0.33675 -0.42954 -0.17054 -0.42966 55 4XX 0.19191 -0.01211 0.02050 0.05487 0.10065 56 4YY -0.23548 -0.32487 0.08421 -0.01781 -0.03132 57 4ZZ 0.01687 0.35477 -0.00724 -0.01043 -0.06076 58 4XY -0.00199 0.43378 0.00931 0.07471 0.01193 59 4XZ 0.33544 -0.05444 -0.11797 0.09363 0.01434 60 4YZ 0.20580 -0.38719 -0.02343 0.04627 0.07267 61 5 H 1S -0.06523 0.31013 0.02829 -0.03061 -0.03787 62 2S 0.45076 -0.17160 -0.26443 -0.16759 -0.28065 63 6 H 1S 0.00306 -0.19316 0.00462 0.02283 0.00085 64 2S -0.27103 0.09525 0.24785 -0.00177 0.28304 65 7 H 1S -0.00306 -0.19316 -0.00462 -0.02283 -0.00085 66 2S 0.27103 0.09526 -0.24785 0.00177 -0.28304 67 8 H 1S 0.06523 0.31013 -0.02829 0.03061 0.03787 68 2S -0.45076 -0.17160 0.26443 0.16759 0.28066 69 9 C 1S 0.00000 0.03242 0.00000 0.00000 0.00000 70 2S 0.00000 -0.09915 0.00000 0.00000 0.00000 71 2PX 0.00000 -0.02397 0.00000 0.00000 0.00000 72 2PY 0.33626 0.00000 -0.16601 -0.01477 -0.07792 73 2PZ 0.00000 0.12064 0.00000 0.00000 0.00000 74 3S 0.00000 -0.44716 0.00000 0.00000 0.00000 75 3PX 0.00000 -0.09207 0.00000 0.00000 0.00000 76 3PY 0.91936 0.00000 -0.37736 -0.00653 -0.15434 77 3PZ 0.00000 0.00699 0.00000 0.00000 0.00000 78 4XX 0.00000 0.43685 0.00000 0.00000 0.00000 79 4YY 0.00000 -0.63244 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.25583 0.00000 0.00000 0.00000 81 4XY 0.28435 0.00000 -0.03340 0.04172 -0.00413 82 4XZ 0.00000 -0.24563 0.00000 0.00000 0.00000 83 4YZ -0.64186 0.00000 0.18009 -0.05773 -0.05715 84 10 H 1S 0.00000 -0.26765 0.00000 0.00000 0.00000 85 2S 0.00000 0.08848 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00816 0.00000 0.00000 0.00000 87 2S 0.00000 0.07802 0.00000 0.00000 0.00000 88 12 C 1S -0.01441 -0.00486 0.02077 0.05520 0.11595 89 2S -0.02728 0.00991 0.65140 0.72312 1.04750 90 2PX 0.04444 -0.02377 0.00926 0.09813 0.05265 91 2PY 0.00948 0.01082 -0.23161 0.08844 0.18931 92 2PZ 0.00881 0.02139 0.02359 0.02981 0.07544 93 3S 1.12984 0.16301 -2.31744 -4.98346 -7.01247 94 3PX -0.52419 -0.03867 1.04504 0.72706 2.33633 95 3PY -0.43562 0.05069 -0.33581 2.26006 0.48647 96 3PZ 0.54458 0.01125 -1.23979 -1.13057 -2.39509 97 4XX 0.14272 0.01349 -0.37940 0.02290 -0.05620 98 4YY -0.06872 0.00684 0.47552 -0.22769 -0.43946 99 4ZZ -0.13166 -0.03247 -0.21770 -0.01455 0.28085 100 4XY 0.01431 -0.01588 0.17291 -0.31489 0.37173 101 4XZ 0.12207 -0.02429 0.22820 0.18793 0.31442 102 4YZ 0.06486 0.01135 -0.02078 0.39904 -0.15382 103 13 C 1S 0.01441 -0.00486 -0.02077 -0.05520 -0.11595 104 2S 0.02728 0.00991 -0.65140 -0.72311 -1.04750 105 2PX -0.04444 -0.02378 -0.00926 -0.09813 -0.05265 106 2PY 0.00948 -0.01082 -0.23161 0.08844 0.18931 107 2PZ -0.00881 0.02139 -0.02359 -0.02981 -0.07544 108 3S -1.12984 0.16301 2.31744 4.98346 7.01247 109 3PX 0.52419 -0.03867 -1.04505 -0.72704 -2.33633 110 3PY -0.43562 -0.05069 -0.33579 2.26007 0.48649 111 3PZ -0.54458 0.01125 1.23979 1.13057 2.39509 112 4XX -0.14272 0.01349 0.37941 -0.02291 0.05621 113 4YY 0.06872 0.00684 -0.47552 0.22769 0.43945 114 4ZZ 0.13166 -0.03247 0.21770 0.01455 -0.28085 115 4XY 0.01432 0.01588 0.17290 -0.31489 0.37174 116 4XZ -0.12207 -0.02429 -0.22820 -0.18793 -0.31442 117 4YZ 0.06486 -0.01135 -0.02078 0.39905 -0.15382 118 14 C 1S -0.02628 0.00974 0.07489 0.07996 0.05701 119 2S -0.24754 0.08602 0.17172 0.75273 0.58518 120 2PX 0.04317 -0.00218 0.00082 0.11531 -0.28832 121 2PY 0.04521 0.00281 -0.26167 -0.16496 -0.25891 122 2PZ 0.04158 -0.00187 -0.01690 -0.10335 0.16459 123 3S 1.45193 -0.44768 -2.69072 -3.64996 -2.51490 124 3PX -0.12024 0.01467 -0.43120 0.56960 -2.83675 125 3PY 0.96179 -0.16026 -1.22252 -3.00435 -1.99220 126 3PZ 0.31178 -0.09745 0.08350 -0.75614 1.53875 127 4XX -0.08624 -0.04201 -0.00952 0.06787 -0.08090 128 4YY 0.13371 0.01521 -0.04900 -0.17039 -0.00436 129 4ZZ -0.04634 0.00849 0.13990 0.15811 0.11786 130 4XY -0.26386 0.03289 -0.12379 -0.02805 -0.21316 131 4XZ -0.12760 0.08445 0.21421 0.15114 0.07562 132 4YZ -0.18937 0.03356 -0.13097 -0.18077 0.08975 133 15 C 1S 0.04287 -0.00927 0.00386 -0.09482 0.02932 134 2S 0.12555 -0.03321 -0.25221 -0.45791 0.00442 135 2PX -0.02303 0.01777 0.01978 0.01802 0.04224 136 2PY -0.11364 -0.04632 -0.35038 0.28526 -0.09255 137 2PZ 0.03306 -0.01406 -0.01196 -0.02314 -0.04008 138 3S -2.31530 0.24162 0.55514 6.39728 0.33801 139 3PX -0.73104 0.11916 0.82849 2.28442 -0.28824 140 3PY -0.66886 -0.00685 -0.39663 1.89110 1.79787 141 3PZ 0.58001 -0.08283 -0.58611 -1.66335 0.41115 142 4XX 0.10975 -0.01659 0.32662 -0.11706 0.11871 143 4YY -0.20759 0.02543 -0.55831 0.51249 -0.15282 144 4ZZ 0.10682 -0.02884 0.18831 -0.33796 0.10850 145 4XY -0.03122 -0.03440 -0.37739 -0.07702 0.41386 146 4XZ 0.21164 -0.04064 -0.15092 -0.31754 0.08886 147 4YZ 0.13270 0.02233 0.25415 0.02166 -0.33395 148 16 C 1S -0.04287 -0.00927 -0.00386 0.09482 -0.02932 149 2S -0.12555 -0.03321 0.25221 0.45791 -0.00442 150 2PX 0.02303 0.01778 -0.01978 -0.01802 -0.04224 151 2PY -0.11364 0.04632 -0.35038 0.28526 -0.09255 152 2PZ -0.03306 -0.01406 0.01196 0.02314 0.04008 153 3S 2.31530 0.24162 -0.55514 -6.39727 -0.33801 154 3PX 0.73104 0.11917 -0.82849 -2.28440 0.28825 155 3PY -0.66886 0.00685 -0.39662 1.89113 1.79787 156 3PZ -0.58001 -0.08284 0.58611 1.66335 -0.41115 157 4XX -0.10975 -0.01659 -0.32662 0.11706 -0.11870 158 4YY 0.20759 0.02543 0.55831 -0.51249 0.15281 159 4ZZ -0.10682 -0.02884 -0.18831 0.33796 -0.10850 160 4XY -0.03121 0.03440 -0.37738 -0.07702 0.41387 161 4XZ -0.21164 -0.04064 0.15092 0.31754 -0.08886 162 4YZ 0.13271 -0.02233 0.25415 0.02166 -0.33395 163 17 C 1S 0.02628 0.00974 -0.07489 -0.07996 -0.05701 164 2S 0.24754 0.08602 -0.17172 -0.75273 -0.58518 165 2PX -0.04317 -0.00218 -0.00082 -0.11532 0.28832 166 2PY 0.04521 -0.00281 -0.26167 -0.16496 -0.25891 167 2PZ -0.04158 -0.00187 0.01690 0.10335 -0.16459 168 3S -1.45191 -0.44768 2.69072 3.64996 2.51490 169 3PX 0.12026 0.01468 0.43118 -0.56963 2.83672 170 3PY 0.96179 0.16026 -1.22252 -3.00433 -1.99222 171 3PZ -0.31178 -0.09746 -0.08350 0.75614 -1.53874 172 4XX 0.08624 -0.04201 0.00952 -0.06787 0.08090 173 4YY -0.13371 0.01521 0.04900 0.17039 0.00437 174 4ZZ 0.04635 0.00849 -0.13990 -0.15811 -0.11787 175 4XY -0.26387 -0.03289 -0.12379 -0.02805 -0.21316 176 4XZ 0.12760 0.08444 -0.21422 -0.15114 -0.07562 177 4YZ -0.18937 -0.03356 -0.13097 -0.18077 0.08975 178 18 H 1S 0.17236 -0.00007 0.03246 0.27453 -0.05894 179 2S 0.12067 -0.03859 -0.17902 -0.47035 -0.46885 180 19 H 1S -0.17236 -0.00007 -0.03246 -0.27453 0.05894 181 2S -0.12067 -0.03859 0.17903 0.47035 0.46886 182 20 H 1S 0.08878 0.00524 0.16914 0.02455 -0.11629 183 2S -0.26191 0.03028 0.06935 0.71424 0.18928 184 21 H 1S -0.08878 0.00524 -0.16914 -0.02455 0.11629 185 2S 0.26191 0.03028 -0.06935 -0.71424 -0.18928 186 22 O 1S 0.00146 0.00043 0.00432 0.01343 0.00854 187 2S 0.11839 -0.03132 -0.24821 -0.47163 -0.36363 188 2PX 0.01143 -0.00524 0.00232 -0.02928 0.07337 189 2PY -0.02875 0.01585 0.04244 0.09051 0.01488 190 2PZ -0.00603 -0.00854 -0.00031 0.02262 -0.04332 191 3S -0.39020 0.04208 0.52987 1.36794 1.12675 192 3PX 0.04228 0.01609 -0.00024 0.23199 -0.49648 193 3PY 0.11140 -0.03158 -0.16802 -0.38990 -0.43065 194 3PZ 0.14428 0.05204 0.06763 -0.08245 0.36568 195 4XX 0.05018 0.00523 0.00652 -0.02819 -0.10732 196 4YY -0.11321 -0.00665 0.08299 0.22723 0.32709 197 4ZZ 0.07496 -0.00283 -0.04445 -0.05055 -0.05434 198 4XY -0.20447 -0.02117 -0.09638 -0.15966 0.14707 199 4XZ 0.01467 -0.00200 -0.01786 0.05336 0.02030 200 4YZ -0.21216 -0.05428 -0.09340 -0.02155 -0.17002 201 23 O 1S -0.00146 0.00043 -0.00432 -0.01343 -0.00854 202 2S -0.11839 -0.03132 0.24821 0.47163 0.36363 203 2PX -0.01143 -0.00524 -0.00232 0.02928 -0.07337 204 2PY -0.02875 -0.01585 0.04245 0.09051 0.01488 205 2PZ 0.00603 -0.00854 0.00031 -0.02262 0.04332 206 3S 0.39019 0.04208 -0.52988 -1.36795 -1.12676 207 3PX -0.04228 0.01609 0.00024 -0.23200 0.49648 208 3PY 0.11139 0.03159 -0.16802 -0.38990 -0.43066 209 3PZ -0.14428 0.05204 -0.06763 0.08245 -0.36568 210 4XX -0.05019 0.00523 -0.00652 0.02819 0.10733 211 4YY 0.11321 -0.00665 -0.08299 -0.22723 -0.32709 212 4ZZ -0.07496 -0.00283 0.04446 0.05055 0.05434 213 4XY -0.20446 0.02117 -0.09638 -0.15966 0.14707 214 4XZ -0.01467 -0.00200 0.01786 -0.05336 -0.02030 215 4YZ -0.21216 0.05428 -0.09340 -0.02155 -0.17003 196 197 198 199 200 V V V V V Eigenvalues -- 2.92097 2.95086 2.96445 2.97527 3.02389 1 1 C 1S 0.00617 -0.00083 -0.00196 -0.00149 0.02406 2 2S 0.25584 -0.25139 0.01423 -0.12697 0.04538 3 2PX 0.24762 -0.05315 0.00563 0.01206 -0.00705 4 2PY 0.01968 -0.02913 0.01388 -0.01339 0.02462 5 2PZ -0.24774 0.05059 -0.00120 0.01614 0.07080 6 3S -0.11847 0.53938 -0.01296 0.22780 -1.03722 7 3PX 0.75774 0.11509 -0.09638 -0.12089 -0.33030 8 3PY -0.58500 0.28923 -0.07598 0.13783 -0.66236 9 3PZ -0.79544 -0.22019 0.05183 0.01223 0.27511 10 4XX 0.32469 -0.18189 -0.00258 0.02235 -0.07090 11 4YY -0.33280 0.35667 0.00946 0.02870 0.10432 12 4ZZ 0.01796 -0.10764 -0.02467 0.00606 0.02449 13 4XY 0.33388 0.28844 -0.00277 -0.01282 0.03557 14 4XZ -0.25635 0.19513 0.00318 0.02009 0.03771 15 4YZ -0.43959 -0.26598 0.01413 0.00774 0.02523 16 2 C 1S -0.00096 0.00148 -0.00228 0.00120 -0.01317 17 2S -0.02269 0.16262 0.04260 -0.04503 -0.19253 18 2PX 0.20146 0.02355 -0.01374 0.00241 -0.01392 19 2PY 0.39184 0.09145 0.00167 -0.00766 0.00935 20 2PZ -0.14936 -0.01577 0.00199 0.00203 0.01282 21 3S 0.42207 -0.60181 0.06031 0.02993 1.55274 22 3PX 0.53019 0.31194 -0.01306 0.00170 -0.62292 23 3PY 1.22595 -0.10701 -0.01159 -0.02086 0.42962 24 3PZ -0.32413 -0.16970 0.03100 0.00458 0.43940 25 4XX -0.43168 -0.16335 -0.00725 0.01155 0.03708 26 4YY 0.68329 0.28321 -0.01385 0.01234 0.05182 27 4ZZ -0.22008 -0.11772 -0.00733 0.01192 -0.00202 28 4XY -0.26937 0.63438 -0.00096 0.01213 0.08508 29 4XZ 0.35856 0.16551 -0.01120 -0.00424 -0.05032 30 4YZ 0.24757 -0.51316 0.00229 -0.01265 -0.08084 31 3 C 1S 0.00096 -0.00148 -0.00228 0.00120 0.01317 32 2S 0.02269 -0.16262 0.04260 -0.04503 0.19253 33 2PX -0.20146 -0.02355 -0.01373 0.00241 0.01392 34 2PY 0.39184 0.09145 -0.00167 0.00766 0.00935 35 2PZ 0.14936 0.01577 0.00199 0.00203 -0.01282 36 3S -0.42206 0.60181 0.06030 0.02991 -1.55274 37 3PX -0.53019 -0.31194 -0.01305 0.00171 0.62292 38 3PY 1.22595 -0.10701 0.01160 0.02086 0.42961 39 3PZ 0.32412 0.16970 0.03099 0.00458 -0.43940 40 4XX 0.43168 0.16335 -0.00725 0.01155 -0.03708 41 4YY -0.68328 -0.28321 -0.01385 0.01235 -0.05182 42 4ZZ 0.22007 0.11772 -0.00733 0.01192 0.00202 43 4XY -0.26937 0.63438 0.00096 -0.01214 0.08508 44 4XZ -0.35856 -0.16551 -0.01120 -0.00424 0.05032 45 4YZ 0.24757 -0.51316 -0.00230 0.01265 -0.08084 46 4 C 1S -0.00617 0.00083 -0.00196 -0.00149 -0.02406 47 2S -0.25584 0.25139 0.01423 -0.12698 -0.04538 48 2PX -0.24762 0.05315 0.00563 0.01206 0.00705 49 2PY 0.01968 -0.02913 -0.01388 0.01340 0.02461 50 2PZ 0.24774 -0.05059 -0.00120 0.01614 -0.07080 51 3S 0.11847 -0.53938 -0.01295 0.22781 1.03722 52 3PX -0.75775 -0.11509 -0.09638 -0.12089 0.33030 53 3PY -0.58500 0.28923 0.07597 -0.13784 -0.66237 54 3PZ 0.79545 0.22019 0.05183 0.01222 -0.27511 55 4XX -0.32469 0.18189 -0.00258 0.02235 0.07090 56 4YY 0.33279 -0.35668 0.00946 0.02870 -0.10432 57 4ZZ -0.01795 0.10764 -0.02467 0.00606 -0.02449 58 4XY 0.33388 0.28844 0.00278 0.01282 0.03557 59 4XZ 0.25635 -0.19514 0.00317 0.02009 -0.03771 60 4YZ -0.43960 -0.26598 -0.01413 -0.00773 0.02523 61 5 H 1S 0.00210 -0.23250 -0.01784 -0.02452 -0.09871 62 2S -0.08643 0.19747 -0.03591 0.06580 -0.13717 63 6 H 1S -0.04324 0.37830 -0.00429 0.00300 0.05064 64 2S 0.06813 -0.24525 0.00915 -0.00884 0.17277 65 7 H 1S 0.04324 -0.37830 -0.00429 0.00301 -0.05063 66 2S -0.06813 0.24524 0.00915 -0.00884 -0.17277 67 8 H 1S -0.00210 0.23250 -0.01784 -0.02453 0.09871 68 2S 0.08643 -0.19747 -0.03591 0.06580 0.13717 69 9 C 1S 0.00000 0.00000 -0.00015 0.00803 0.00000 70 2S 0.00000 0.00000 0.05708 0.05514 0.00000 71 2PX 0.00000 0.00000 -0.00897 -0.00610 0.00000 72 2PY -0.28536 -0.09009 0.00000 0.00000 -0.04114 73 2PZ 0.00000 0.00000 0.00049 0.02631 0.00000 74 3S 0.00000 0.00000 -0.09002 -0.44299 0.00000 75 3PX 0.00000 0.00000 0.08797 -0.00003 0.00000 76 3PY -1.00878 -0.08433 0.00000 0.00000 0.00547 77 3PZ 0.00000 0.00000 -0.00660 0.09149 0.00000 78 4XX 0.00000 0.00000 -0.00041 0.01119 0.00000 79 4YY 0.00000 0.00000 -0.03009 0.01065 0.00000 80 4ZZ 0.00000 0.00000 -0.00791 -0.02205 0.00000 81 4XY -0.23674 0.06539 0.00000 0.00000 -0.01938 82 4XZ 0.00000 0.00000 -0.00359 -0.00384 0.00000 83 4YZ 0.56268 0.17564 0.00000 0.00000 -0.03851 84 10 H 1S 0.00000 0.00000 -0.00410 0.00039 0.00000 85 2S 0.00000 0.00000 0.08139 0.06498 0.00000 86 11 H 1S 0.00000 0.00000 0.00182 0.02607 0.00000 87 2S 0.00000 0.00000 -0.01430 0.01947 0.00000 88 12 C 1S 0.01730 -0.01019 0.01643 -0.01465 0.07944 89 2S 0.16939 -0.16848 -0.16347 0.23714 0.58334 90 2PX -0.01272 -0.00056 0.12288 -0.05533 0.04679 91 2PY 0.02207 -0.00502 0.00487 -0.00147 0.03356 92 2PZ 0.01687 -0.00724 -0.08546 0.05340 0.02842 93 3S -1.11026 0.88442 0.05111 -0.06363 -4.65642 94 3PX 0.26394 -0.25117 0.09358 -0.10249 1.66788 95 3PY 0.50324 -0.07796 -0.01172 0.13877 0.89491 96 3PZ -0.36539 0.29797 -0.06517 -0.01351 -1.52891 97 4XX 0.01174 0.04836 -0.14253 0.07215 -0.05100 98 4YY -0.07440 -0.00537 0.14384 -0.15230 -0.19571 99 4ZZ 0.02581 0.00231 -0.00380 -0.01379 0.18706 100 4XY 0.04940 -0.00841 0.10840 -0.08393 0.10072 101 4XZ -0.00249 -0.01268 0.16633 -0.13731 0.23770 102 4YZ -0.00307 0.00407 -0.08551 0.04942 -0.05191 103 13 C 1S -0.01730 0.01019 0.01643 -0.01465 -0.07944 104 2S -0.16939 0.16849 -0.16347 0.23713 -0.58334 105 2PX 0.01272 0.00056 0.12288 -0.05533 -0.04679 106 2PY 0.02207 -0.00502 -0.00487 0.00147 0.03356 107 2PZ -0.01687 0.00724 -0.08546 0.05340 -0.02842 108 3S 1.11026 -0.88442 0.05111 -0.06359 4.65642 109 3PX -0.26394 0.25117 0.09358 -0.10250 -1.66788 110 3PY 0.50324 -0.07797 0.01172 -0.13876 0.89492 111 3PZ 0.36539 -0.29797 -0.06517 -0.01350 1.52891 112 4XX -0.01174 -0.04836 -0.14253 0.07215 0.05100 113 4YY 0.07440 0.00537 0.14384 -0.15230 0.19571 114 4ZZ -0.02582 -0.00231 -0.00380 -0.01379 -0.18706 115 4XY 0.04940 -0.00841 -0.10840 0.08393 0.10072 116 4XZ 0.00249 0.01268 0.16633 -0.13732 -0.23770 117 4YZ -0.00307 0.00407 0.08551 -0.04942 -0.05191 118 14 C 1S -0.00341 -0.01327 -0.00921 -0.00487 0.05003 119 2S -0.14763 0.05538 -0.34966 -0.76269 -0.49317 120 2PX -0.04448 -0.00426 0.12099 0.03665 0.04914 121 2PY 0.06223 -0.07701 0.39909 0.78621 0.72862 122 2PZ 0.02147 0.00353 -0.02074 0.08817 0.08255 123 3S 0.05515 0.87931 -0.57607 -1.29956 -4.91117 124 3PX -0.16925 0.08051 -0.11252 0.09043 -0.74334 125 3PY -0.22622 0.38664 0.43765 0.75379 -1.04012 126 3PZ 0.17803 -0.01894 0.08560 0.01591 0.25243 127 4XX 0.02357 -0.03128 0.19898 0.22019 0.19137 128 4YY -0.00172 0.06244 -0.30996 -0.52255 -0.54883 129 4ZZ 0.01846 -0.05864 0.07119 0.31358 0.39251 130 4XY -0.05393 -0.01435 0.59994 -0.39044 -0.15603 131 4XZ -0.01150 -0.04146 0.00684 0.03621 0.21677 132 4YZ 0.00988 0.03463 -0.46762 0.16708 -0.07169 133 15 C 1S 0.00608 0.01093 -0.00847 0.00555 -0.04850 134 2S 0.06080 0.09063 0.16181 -0.03763 -0.31907 135 2PX 0.00568 -0.00221 0.11398 -0.05891 -0.00561 136 2PY 0.00158 0.00806 0.02147 0.00745 0.01888 137 2PZ 0.00063 0.00508 -0.08080 0.04456 -0.01560 138 3S -0.09287 -0.85339 -0.05857 0.08477 3.43988 139 3PX -0.16867 -0.35043 0.03382 -0.04597 1.32992 140 3PY 0.21108 -0.31757 -0.15723 -0.10768 1.38908 141 3PZ 0.08370 0.25622 -0.02451 0.02493 -0.89254 142 4XX -0.02448 -0.01506 0.17261 -0.03622 0.00504 143 4YY 0.00466 -0.00736 -0.18499 0.02444 0.10960 144 4ZZ 0.01061 0.00880 0.07160 -0.00766 -0.09934 145 4XY 0.02840 0.02064 -0.11460 0.04215 -0.01568 146 4XZ 0.04261 0.05499 -0.18264 0.05972 -0.16230 147 4YZ -0.03221 -0.01065 0.07493 -0.03364 -0.01752 148 16 C 1S -0.00608 -0.01093 -0.00847 0.00555 0.04850 149 2S -0.06080 -0.09063 0.16181 -0.03763 0.31907 150 2PX -0.00568 0.00221 0.11398 -0.05891 0.00561 151 2PY 0.00158 0.00806 -0.02147 -0.00745 0.01888 152 2PZ -0.00063 -0.00508 -0.08080 0.04456 0.01560 153 3S 0.09288 0.85339 -0.05857 0.08476 -3.43988 154 3PX 0.16867 0.35043 0.03382 -0.04598 -1.32991 155 3PY 0.21108 -0.31758 0.15723 0.10769 1.38909 156 3PZ -0.08370 -0.25622 -0.02451 0.02493 0.89253 157 4XX 0.02448 0.01506 0.17261 -0.03622 -0.00504 158 4YY -0.00466 0.00736 -0.18499 0.02444 -0.10960 159 4ZZ -0.01061 -0.00880 0.07160 -0.00766 0.09934 160 4XY 0.02840 0.02064 0.11460 -0.04215 -0.01568 161 4XZ -0.04261 -0.05499 -0.18264 0.05972 0.16230 162 4YZ -0.03221 -0.01065 -0.07493 0.03364 -0.01752 163 17 C 1S 0.00341 0.01327 -0.00921 -0.00487 -0.05003 164 2S 0.14763 -0.05539 -0.34966 -0.76269 0.49317 165 2PX 0.04448 0.00426 0.12099 0.03664 -0.04913 166 2PY 0.06223 -0.07701 -0.39909 -0.78622 0.72863 167 2PZ -0.02147 -0.00353 -0.02074 0.08817 -0.08255 168 3S -0.05516 -0.87932 -0.57606 -1.29954 4.91117 169 3PX 0.16925 -0.08051 -0.11253 0.09043 0.74333 170 3PY -0.22623 0.38664 -0.43764 -0.75381 -1.04012 171 3PZ -0.17803 0.01894 0.08560 0.01590 -0.25242 172 4XX -0.02357 0.03129 0.19896 0.22019 -0.19137 173 4YY 0.00172 -0.06245 -0.30994 -0.52256 0.54883 174 4ZZ -0.01846 0.05864 0.07119 0.31358 -0.39251 175 4XY -0.05392 -0.01435 -0.59995 0.39043 -0.15602 176 4XZ 0.01150 0.04147 0.00685 0.03621 -0.21677 177 4YZ 0.00988 0.03463 0.46762 -0.16708 -0.07169 178 18 H 1S -0.03807 0.00727 -0.01428 0.00005 -0.03272 179 2S -0.14202 0.01596 -0.04997 0.05387 -0.45108 180 19 H 1S 0.03807 -0.00727 -0.01428 0.00005 0.03272 181 2S 0.14202 -0.01596 -0.04997 0.05387 0.45109 182 20 H 1S 0.00536 -0.01438 -0.02178 -0.01829 0.03091 183 2S -0.00954 -0.12824 0.04404 -0.03413 0.50481 184 21 H 1S -0.00536 0.01438 -0.02178 -0.01829 -0.03091 185 2S 0.00954 0.12824 0.04404 -0.03413 -0.50481 186 22 O 1S 0.00267 -0.00542 -0.00322 -0.00869 0.01459 187 2S 0.00327 -0.02054 -0.27724 -0.53218 0.52764 188 2PX 0.00805 0.00154 0.02239 0.00775 0.00406 189 2PY 0.00289 -0.02403 -0.09268 -0.19834 0.18526 190 2PZ -0.00700 -0.00172 -0.00454 0.02388 -0.01508 191 3S 0.06408 0.10066 1.00758 1.98524 -1.83172 192 3PX -0.03065 0.02259 0.29549 0.00925 -0.24482 193 3PY 0.04091 -0.11967 -0.57831 -1.17728 1.29047 194 3PZ 0.04736 0.00394 -0.11078 0.15650 -0.04675 195 4XX 0.04287 -0.05677 -0.09427 -0.35898 0.34950 196 4YY -0.07765 0.10500 0.45433 0.98402 -0.97757 197 4ZZ 0.04690 -0.05913 -0.19490 -0.30752 0.35905 198 4XY 0.00272 -0.03003 -0.49949 0.05829 0.17019 199 4XZ 0.01308 0.00321 0.01661 0.01490 0.00664 200 4YZ -0.01214 -0.00134 0.23827 -0.25809 0.10023 201 23 O 1S -0.00267 0.00542 -0.00322 -0.00869 -0.01459 202 2S -0.00327 0.02053 -0.27725 -0.53217 -0.52763 203 2PX -0.00805 -0.00154 0.02239 0.00776 -0.00406 204 2PY 0.00289 -0.02403 0.09268 0.19834 0.18526 205 2PZ 0.00700 0.00172 -0.00454 0.02388 0.01508 206 3S -0.06407 -0.10065 1.00759 1.98523 1.83172 207 3PX 0.03065 -0.02259 0.29550 0.00926 0.24484 208 3PY 0.04092 -0.11966 0.57831 1.17728 1.29047 209 3PZ -0.04736 -0.00394 -0.11077 0.15650 0.04675 210 4XX -0.04287 0.05677 -0.09426 -0.35898 -0.34950 211 4YY 0.07765 -0.10499 0.45432 0.98402 0.97756 212 4ZZ -0.04690 0.05913 -0.19490 -0.30752 -0.35906 213 4XY 0.00272 -0.03004 0.49950 -0.05827 0.17021 214 4XZ -0.01308 -0.00321 0.01660 0.01490 -0.00664 215 4YZ -0.01214 -0.00134 -0.23827 0.25809 0.10023 201 202 203 204 205 V V V V V Eigenvalues -- 3.18323 3.25169 4.03095 4.03775 4.10316 1 1 C 1S -0.00636 -0.01704 0.06055 0.05855 0.00147 2 2S -0.00493 -0.00452 -0.49619 -0.44062 -0.04525 3 2PX -0.02201 -0.01379 0.03229 0.06949 0.01665 4 2PY -0.01992 -0.01427 0.01830 0.01941 0.00620 5 2PZ -0.00433 -0.02555 -0.01069 -0.02555 -0.00565 6 3S 0.04314 0.44539 -0.14076 -0.23811 0.23553 7 3PX -0.00099 0.06250 -0.33443 -0.25885 0.04883 8 3PY 0.19718 0.29886 -0.05778 -0.05495 0.26495 9 3PZ 0.01454 -0.09938 0.09297 0.12846 0.02383 10 4XX -0.00908 -0.00187 0.27891 0.26485 0.03727 11 4YY -0.02011 -0.03898 0.27929 0.26052 0.02927 12 4ZZ -0.00824 -0.04276 0.23790 0.23255 0.01095 13 4XY -0.03607 -0.01334 -0.02002 0.00764 0.00995 14 4XZ 0.01423 0.01849 0.03331 -0.01445 -0.04701 15 4YZ -0.00236 -0.02012 0.00608 -0.01102 0.00384 16 2 C 1S -0.00384 -0.00040 0.00938 -0.05515 -0.05201 17 2S -0.06350 0.09073 -0.03818 0.36416 0.36514 18 2PX -0.00126 -0.00478 0.00187 0.01727 0.02199 19 2PY -0.00282 -0.00845 0.00607 0.01979 0.03136 20 2PZ 0.00574 -0.00528 -0.01913 -0.02086 -0.01903 21 3S 0.08792 -0.50289 0.14347 0.35492 0.03344 22 3PX -0.05548 0.21454 -0.06181 -0.05264 0.06620 23 3PY -0.03810 -0.14053 -0.08561 -0.05162 -0.05498 24 3PZ -0.03042 -0.12494 0.15929 0.07758 -0.04082 25 4XX 0.03122 -0.02140 0.01634 -0.24883 -0.23496 26 4YY -0.01086 -0.02502 0.02814 -0.19534 -0.19143 27 4ZZ -0.00058 -0.02098 0.03179 -0.22167 -0.20907 28 4XY -0.01571 0.00614 0.00891 -0.01544 -0.00322 29 4XZ -0.01563 0.01532 0.00955 0.01450 0.01452 30 4YZ -0.00224 -0.00081 0.00132 0.00642 0.00944 31 3 C 1S 0.00384 0.00040 -0.00938 -0.05515 -0.05201 32 2S 0.06350 -0.09073 0.03824 0.36415 0.36515 33 2PX 0.00126 0.00478 -0.00187 0.01727 0.02199 34 2PY -0.00282 -0.00845 0.00606 -0.01979 -0.03136 35 2PZ -0.00574 0.00528 0.01913 -0.02086 -0.01903 36 3S -0.08792 0.50289 -0.14341 0.35494 0.03344 37 3PX 0.05548 -0.21454 0.06181 -0.05265 0.06621 38 3PY -0.03810 -0.14053 -0.08560 0.05163 0.05498 39 3PZ 0.03042 0.12494 -0.15928 0.07760 -0.04083 40 4XX -0.03122 0.02140 -0.01638 -0.24882 -0.23496 41 4YY 0.01086 0.02502 -0.02817 -0.19533 -0.19143 42 4ZZ 0.00058 0.02099 -0.03183 -0.22166 -0.20907 43 4XY -0.01571 0.00614 0.00892 0.01544 0.00323 44 4XZ 0.01563 -0.01532 -0.00955 0.01451 0.01452 45 4YZ -0.00224 -0.00081 0.00131 -0.00642 -0.00944 46 4 C 1S 0.00636 0.01704 -0.06054 0.05855 0.00147 47 2S 0.00493 0.00452 0.49612 -0.44070 -0.04524 48 2PX 0.02201 0.01379 -0.03228 0.06950 0.01665 49 2PY -0.01992 -0.01427 0.01830 -0.01941 -0.00620 50 2PZ 0.00433 0.02555 0.01068 -0.02556 -0.00565 51 3S -0.04314 -0.44539 0.14072 -0.23814 0.23554 52 3PX 0.00100 -0.06250 0.33439 -0.25890 0.04883 53 3PY 0.19718 0.29886 -0.05777 0.05497 -0.26496 54 3PZ -0.01455 0.09938 -0.09295 0.12848 0.02383 55 4XX 0.00908 0.00187 -0.27887 0.26489 0.03727 56 4YY 0.02011 0.03898 -0.27925 0.26056 0.02927 57 4ZZ 0.00824 0.04276 -0.23786 0.23259 0.01095 58 4XY -0.03607 -0.01334 -0.02002 -0.00764 -0.00995 59 4XZ -0.01423 -0.01849 -0.03331 -0.01445 -0.04701 60 4YZ -0.00236 -0.02012 0.00608 0.01102 -0.00384 61 5 H 1S 0.02989 0.01885 -0.06601 -0.05341 0.02272 62 2S 0.07307 0.09197 0.02147 0.03916 0.08205 63 6 H 1S -0.02009 0.00622 0.00355 0.01343 0.01456 64 2S -0.01245 -0.06723 0.02591 -0.02956 -0.06391 65 7 H 1S 0.02009 -0.00622 -0.00355 0.01343 0.01456 66 2S 0.01245 0.06723 -0.02592 -0.02956 -0.06391 67 8 H 1S -0.02989 -0.01885 0.06600 -0.05342 0.02272 68 2S -0.07308 -0.09197 -0.02146 0.03916 0.08205 69 9 C 1S 0.00000 0.00000 0.00000 0.04835 0.01792 70 2S 0.00000 0.00000 -0.00001 -0.15096 0.00923 71 2PX 0.00000 0.00000 0.00000 -0.00591 -0.01909 72 2PY 0.01448 0.01027 0.04840 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.05943 -0.03345 74 3S 0.00000 0.00000 -0.00003 -0.53077 -0.33132 75 3PX 0.00000 0.00000 0.00001 0.11294 -0.10908 76 3PY 0.03659 0.03983 0.07642 -0.00001 0.00000 77 3PZ 0.00000 0.00000 -0.00002 -0.17067 0.40790 78 4XX 0.00000 0.00000 0.00001 0.15899 0.05127 79 4YY 0.00000 0.00000 0.00001 0.10117 0.03516 80 4ZZ 0.00000 0.00000 0.00001 0.14501 0.01641 81 4XY 0.00738 0.00715 -0.01000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 -0.00523 0.03871 83 4YZ -0.00125 0.01656 -0.04466 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.06406 0.08039 85 2S 0.00000 0.00000 0.00003 0.34126 -0.30000 86 11 H 1S 0.00000 0.00000 0.00000 0.02076 -0.02251 87 2S 0.00000 0.00000 0.00001 0.13073 -0.09868 88 12 C 1S -0.01550 -0.06417 -0.04043 -0.05267 -0.11749 89 2S -0.17390 -0.14210 -0.14886 0.55521 0.77790 90 2PX 0.10054 -0.06789 -0.07649 0.04582 -0.04153 91 2PY -0.28366 -0.09134 0.01264 -0.06178 -0.03279 92 2PZ -0.08390 0.00578 -0.01263 0.00644 0.01236 93 3S 1.45823 2.77277 1.73402 -0.03500 0.21058 94 3PX 0.21257 -0.64861 -0.48502 0.27199 0.10693 95 3PY -1.13059 -0.78727 -0.70572 0.36668 0.14511 96 3PZ -0.00054 0.73639 0.71359 -0.31927 -0.07510 97 4XX -0.33172 -0.13652 0.03972 -0.32864 -0.43488 98 4YY 0.57069 0.37285 -0.05070 -0.23049 -0.43055 99 4ZZ -0.16091 -0.29488 -0.07038 -0.23832 -0.42808 100 4XY 0.13512 -0.40287 -0.07066 0.00017 -0.05224 101 4XZ 0.19850 -0.02459 -0.12274 0.09940 -0.00068 102 4YZ -0.13078 0.26349 0.02907 -0.02430 0.03327 103 13 C 1S 0.01550 0.06417 0.04043 -0.05267 -0.11749 104 2S 0.17390 0.14210 0.14893 0.55518 0.77790 105 2PX -0.10055 0.06789 0.07649 0.04581 -0.04153 106 2PY -0.28366 -0.09134 0.01265 0.06178 0.03279 107 2PZ 0.08390 -0.00578 0.01263 0.00644 0.01236 108 3S -1.45823 -2.77277 -1.73403 -0.03475 0.21057 109 3PX -0.21258 0.64860 0.48505 0.27191 0.10693 110 3PY -1.13059 -0.78728 -0.70578 -0.36658 -0.14511 111 3PZ 0.00054 -0.73639 -0.71364 -0.31916 -0.07510 112 4XX 0.33172 0.13652 -0.03976 -0.32863 -0.43488 113 4YY -0.57069 -0.37284 0.05067 -0.23049 -0.43055 114 4ZZ 0.16091 0.29488 0.07035 -0.23832 -0.42808 115 4XY 0.13511 -0.40288 -0.07066 -0.00016 0.05224 116 4XZ -0.19850 0.02459 0.12276 0.09938 -0.00068 117 4YZ -0.13078 0.26349 0.02908 0.02430 -0.03327 118 14 C 1S 0.00106 -0.05535 0.18114 0.09390 -0.17922 119 2S -0.04599 -0.18786 -1.50067 -0.93577 1.01671 120 2PX -0.10519 0.01077 0.05577 0.04125 -0.03298 121 2PY -0.00161 0.25208 -0.06937 -0.00232 0.12385 122 2PZ 0.06724 0.02445 -0.01955 0.00247 0.01304 123 3S 0.17842 2.13327 -0.41345 -1.75775 -0.11538 124 3PX -0.13493 0.14466 0.10395 0.11348 0.10372 125 3PY 0.09237 1.18026 1.97362 2.13428 0.54482 126 3PZ 0.15269 0.10971 0.13915 0.10081 0.07423 127 4XX -0.04678 0.36693 0.83172 0.50536 -0.57110 128 4YY 0.02629 -0.53512 0.94247 0.54700 -0.78520 129 4ZZ 0.06268 0.06218 0.78115 0.49328 -0.59572 130 4XY -0.62505 -0.00713 0.07689 0.04706 -0.05354 131 4XZ -0.02209 -0.42917 0.00010 -0.00044 -0.05676 132 4YZ 0.44287 -0.02427 -0.01007 -0.00900 0.00521 133 15 C 1S 0.00423 0.06234 0.16561 0.05046 -0.24532 134 2S -0.02551 -0.06270 -0.78656 -0.08235 1.65396 135 2PX -0.10230 -0.00890 -0.02277 0.01140 0.00620 136 2PY 0.33755 -0.17187 0.13955 0.05699 0.07743 137 2PZ 0.07742 0.02041 0.01152 0.00638 -0.02837 138 3S 0.85498 -2.68362 -2.23066 -0.20769 0.55955 139 3PX -0.22364 -0.85828 -0.66313 -0.40404 -0.10949 140 3PY 0.90232 -0.89083 -0.85327 -0.44941 -0.17011 141 3PZ 0.17368 0.58418 0.48285 0.25753 0.09878 142 4XX -0.26909 0.29452 0.51968 0.10494 -0.94887 143 4YY 0.54264 -0.41443 0.68755 0.10750 -0.92289 144 4ZZ -0.15616 0.26532 0.56490 0.16223 -0.94123 145 4XY 0.19912 0.45349 0.03735 0.00846 -0.03382 146 4XZ 0.22526 0.00751 0.09959 0.09187 0.00515 147 4YZ -0.13063 -0.36202 -0.03805 -0.01093 0.03228 148 16 C 1S -0.00423 -0.06234 -0.16560 0.05049 -0.24532 149 2S 0.02551 0.06270 0.78654 -0.08248 1.65397 150 2PX 0.10230 0.00890 0.02277 0.01140 0.00620 151 2PY 0.33755 -0.17187 0.13955 -0.05701 -0.07743 152 2PZ -0.07742 -0.02041 -0.01152 0.00638 -0.02837 153 3S -0.85499 2.68362 2.23063 -0.20802 0.55958 154 3PX 0.22365 0.85828 0.66306 -0.40413 -0.10948 155 3PY 0.90232 -0.89084 -0.85321 0.44954 0.17010 156 3PZ -0.17368 -0.58418 -0.48281 0.25760 0.09877 157 4XX 0.26910 -0.29451 -0.51966 0.10503 -0.94887 158 4YY -0.54265 0.41442 -0.68753 0.10760 -0.92290 159 4ZZ 0.15616 -0.26532 -0.56487 0.16231 -0.94124 160 4XY 0.19911 0.45350 0.03734 -0.00846 0.03382 161 4XZ -0.22526 -0.00751 -0.09958 0.09188 0.00515 162 4YZ -0.13063 -0.36202 -0.03804 0.01093 -0.03228 163 17 C 1S -0.00106 0.05535 -0.18112 0.09393 -0.17922 164 2S 0.04599 0.18787 1.50051 -0.93599 1.01673 165 2PX 0.10519 -0.01077 -0.05577 0.04126 -0.03298 166 2PY -0.00161 0.25208 -0.06937 0.00233 -0.12385 167 2PZ -0.06724 -0.02445 0.01955 0.00247 0.01304 168 3S -0.17842 -2.13326 0.41319 -1.75783 -0.11537 169 3PX 0.13493 -0.14465 -0.10391 0.11347 0.10372 170 3PY 0.09236 1.18026 1.97330 -2.13457 -0.54481 171 3PZ -0.15268 -0.10971 -0.13913 0.10083 0.07423 172 4XX 0.04677 -0.36693 -0.83164 0.50548 -0.57111 173 4YY -0.02627 0.53512 -0.94238 0.54715 -0.78521 174 4ZZ -0.06268 -0.06218 -0.78106 0.49340 -0.59572 175 4XY -0.62505 -0.00712 0.07688 -0.04708 0.05354 176 4XZ 0.02210 0.42917 -0.00010 -0.00044 -0.05676 177 4YZ 0.44287 -0.02427 -0.01006 0.00900 -0.00520 178 18 H 1S -0.02744 0.17639 0.04235 -0.00218 0.04719 179 2S 0.05898 0.08389 0.21026 -0.24185 -0.16513 180 19 H 1S 0.02744 -0.17639 -0.04235 -0.00217 0.04719 181 2S -0.05898 -0.08389 -0.21030 -0.24182 -0.16513 182 20 H 1S -0.01272 -0.25452 -0.09246 -0.04825 0.10410 183 2S 0.02707 -0.13756 -0.15147 -0.24680 -0.30680 184 21 H 1S 0.01272 0.25452 0.09245 -0.04826 0.10410 185 2S -0.02707 0.13756 0.15144 -0.24682 -0.30680 186 22 O 1S 0.00282 -0.01657 0.25119 -0.36095 -0.07401 187 2S -0.02251 -0.11578 0.34507 -0.45186 -0.03412 188 2PX 0.00048 -0.02435 0.01818 -0.02082 0.01089 189 2PY 0.01199 0.21746 -0.22024 0.21990 -0.07798 190 2PZ -0.00478 -0.01946 0.01228 -0.01619 0.01298 191 3S -0.00215 -0.06865 -3.57136 5.07423 1.10477 192 3PX 0.25797 -0.00811 -0.08670 0.13047 0.01157 193 3PY -0.00912 0.01781 0.68513 -1.13542 -0.35465 194 3PZ -0.16526 0.02329 -0.03928 0.08935 -0.00216 195 4XX 0.07231 -0.01277 0.84276 -1.23999 -0.27326 196 4YY -0.01697 -0.26991 0.83148 -1.05240 -0.07153 197 4ZZ -0.03260 -0.04249 0.84000 -1.22200 -0.26118 198 4XY -0.39550 0.05199 0.02281 -0.03818 -0.01142 199 4XZ 0.00127 -0.07787 -0.01405 0.02559 0.01947 200 4YZ 0.27664 -0.00729 -0.00343 -0.01499 -0.00406 201 23 O 1S -0.00282 0.01657 -0.25125 -0.36091 -0.07401 202 2S 0.02251 0.11578 -0.34514 -0.45180 -0.03413 203 2PX -0.00048 0.02435 -0.01819 -0.02082 0.01089 204 2PY 0.01199 0.21746 -0.22027 -0.21987 0.07798 205 2PZ 0.00478 0.01946 -0.01228 -0.01619 0.01298 206 3S 0.00216 0.06865 3.57212 5.07369 1.10479 207 3PX -0.25797 0.00811 0.08673 0.13047 0.01158 208 3PY -0.00911 0.01781 0.68529 1.13531 0.35466 209 3PZ 0.16526 -0.02329 0.03929 0.08935 -0.00216 210 4XX -0.07232 0.01277 -0.84295 -1.23986 -0.27327 211 4YY 0.01698 0.26991 -0.83164 -1.05228 -0.07154 212 4ZZ 0.03260 0.04249 -0.84018 -1.22188 -0.26119 213 4XY -0.39550 0.05199 0.02282 0.03818 0.01143 214 4XZ -0.00126 0.07787 0.01406 0.02559 0.01947 215 4YZ 0.27664 -0.00729 -0.00342 0.01499 0.00406 206 207 208 209 210 V V V V V Eigenvalues -- 4.16793 4.22067 4.31874 4.35932 4.36358 1 1 C 1S -0.09384 -0.10991 0.22412 -0.17315 -0.00317 2 2S 0.52380 0.59345 -0.94590 0.74636 -0.07003 3 2PX 0.06637 -0.07419 -0.07053 0.00733 0.03626 4 2PY 0.01829 -0.02100 0.06017 -0.02789 0.02405 5 2PZ -0.02240 0.08374 -0.00659 0.04911 -0.00867 6 3S 0.32467 0.57233 -1.14177 0.85758 -0.07041 7 3PX 0.04816 0.14698 0.04864 -0.00176 -0.23594 8 3PY 0.17528 0.17000 -0.43676 0.16588 -0.06323 9 3PZ 0.02104 -0.13359 0.17105 -0.17352 0.13485 10 4XX -0.27027 -0.50013 0.75245 -0.59059 0.03019 11 4YY -0.35756 -0.34937 0.74098 -0.59798 0.03284 12 4ZZ -0.29455 -0.42381 0.77247 -0.56585 0.00788 13 4XY 0.04020 -0.07455 -0.03224 -0.02831 0.00579 14 4XZ -0.09416 0.02811 0.07406 0.01503 -0.02221 15 4YZ 0.01578 0.11699 0.05898 0.09768 -0.00442 16 2 C 1S -0.26187 0.20211 0.24076 -0.05899 -0.08103 17 2S 1.63602 -1.03723 -1.29088 0.40317 0.43804 18 2PX 0.05755 -0.10276 -0.03587 -0.02111 0.01938 19 2PY 0.05864 -0.02839 0.17018 -0.00743 -0.05109 20 2PZ -0.01671 0.05570 -0.00830 0.03194 -0.01507 21 3S 0.58970 -0.93429 -1.17401 -0.13827 0.80460 22 3PX -0.02330 0.28893 0.06141 0.11050 -0.17127 23 3PY -0.02807 -0.08073 -0.35059 0.00069 0.15602 24 3PZ -0.04057 -0.18174 0.02932 -0.08948 0.15161 25 4XX -1.03076 0.79105 0.85938 -0.19594 -0.30948 26 4YY -0.92952 0.66508 1.07936 -0.22603 -0.36377 27 4ZZ -1.03163 0.78508 0.87066 -0.21890 -0.30325 28 4XY 0.01184 0.03251 -0.00466 0.04938 -0.00198 29 4XZ 0.02433 -0.03456 0.04063 -0.01808 0.00602 30 4YZ -0.00478 -0.03111 0.03725 -0.04721 -0.00258 31 3 C 1S -0.26187 0.20211 -0.24076 -0.05898 0.08104 32 2S 1.63602 -1.03723 1.29088 0.40312 -0.43810 33 2PX 0.05755 -0.10276 0.03587 -0.02112 -0.01938 34 2PY -0.05864 0.02839 0.17018 0.00743 -0.05109 35 2PZ -0.01671 0.05570 0.00830 0.03194 0.01507 36 3S 0.58970 -0.93429 1.17402 -0.13837 -0.80458 37 3PX -0.02330 0.28893 -0.06141 0.11052 0.17125 38 3PY 0.02807 0.08073 -0.35059 -0.00067 0.15602 39 3PZ -0.04057 -0.18174 -0.02931 -0.08951 -0.15159 40 4XX -1.03075 0.79105 -0.85938 -0.19590 0.30952 41 4YY -0.92952 0.66508 -1.07936 -0.22599 0.36381 42 4ZZ -1.03162 0.78508 -0.87066 -0.21886 0.30329 43 4XY -0.01184 -0.03251 -0.00466 -0.04938 -0.00197 44 4XZ 0.02433 -0.03456 -0.04063 -0.01808 -0.00602 45 4YZ 0.00477 0.03111 0.03725 0.04721 -0.00258 46 4 C 1S -0.09384 -0.10991 -0.22411 -0.17315 0.00320 47 2S 0.52379 0.59345 0.94588 0.74638 0.06992 48 2PX 0.06637 -0.07419 0.07054 0.00733 -0.03626 49 2PY -0.01829 0.02100 0.06017 0.02789 0.02404 50 2PZ -0.02240 0.08374 0.00659 0.04911 0.00867 51 3S 0.32467 0.57233 1.14176 0.85761 0.07027 52 3PX 0.04816 0.14698 -0.04865 -0.00173 0.23595 53 3PY -0.17528 -0.17000 -0.43676 -0.16590 -0.06321 54 3PZ 0.02104 -0.13359 -0.17104 -0.17354 -0.13482 55 4XX -0.27027 -0.50013 -0.75244 -0.59061 -0.03010 56 4YY -0.35756 -0.34937 -0.74097 -0.59800 -0.03275 57 4ZZ -0.29455 -0.42381 -0.77246 -0.56586 -0.00779 58 4XY -0.04020 0.07455 -0.03224 0.02831 0.00579 59 4XZ -0.09416 0.02810 -0.07407 0.01503 0.02221 60 4YZ -0.01578 -0.11699 0.05898 -0.09768 -0.00441 61 5 H 1S 0.07394 0.06463 -0.07120 0.07775 -0.03464 62 2S -0.03479 -0.02117 0.00750 -0.10804 0.00773 63 6 H 1S 0.12141 -0.08851 -0.08858 0.05255 0.03399 64 2S -0.21759 0.06019 0.15170 -0.08832 -0.00128 65 7 H 1S 0.12141 -0.08851 0.08858 0.05255 -0.03400 66 2S -0.21758 0.06019 -0.15170 -0.08833 0.00129 67 8 H 1S 0.07394 0.06463 0.07120 0.07776 0.03463 68 2S -0.03479 -0.02117 -0.00750 -0.10804 -0.00771 69 9 C 1S -0.06911 -0.27726 0.00000 -0.26602 0.00002 70 2S 0.61051 1.49950 -0.00001 1.26703 -0.00010 71 2PX 0.00021 -0.04558 0.00000 0.04091 0.00000 72 2PY 0.00000 0.00000 0.03135 0.00000 -0.01333 73 2PZ -0.01297 0.04052 0.00000 0.06024 0.00000 74 3S -0.24745 1.08330 -0.00001 1.16337 -0.00008 75 3PX -0.11627 0.25612 0.00000 -0.32467 0.00003 76 3PY 0.00000 0.00000 -0.16540 0.00002 0.21233 77 3PZ 0.23886 0.01185 0.00000 0.00451 0.00000 78 4XX -0.34513 -1.04885 0.00001 -0.98050 0.00007 79 4YY -0.24247 -1.02002 0.00000 -0.91440 0.00007 80 4ZZ -0.32798 -1.02450 0.00001 -0.95476 0.00007 81 4XY 0.00000 0.00000 0.06599 0.00000 -0.02072 82 4XZ 0.00509 -0.05807 0.00000 -0.03082 0.00000 83 4YZ 0.00000 0.00000 -0.09208 0.00000 -0.04302 84 10 H 1S 0.04456 0.08362 0.00000 0.07885 -0.00001 85 2S -0.05018 -0.08481 0.00000 -0.58419 0.00004 86 11 H 1S 0.08177 0.05764 0.00000 0.09903 -0.00001 87 2S -0.13480 -0.36130 0.00000 -0.18297 0.00001 88 12 C 1S -0.12198 -0.14480 -0.09339 0.10583 0.08442 89 2S 0.69393 0.93619 0.60024 -0.30248 -0.59499 90 2PX 0.02746 -0.04417 0.02193 0.03259 -0.04076 91 2PY -0.01658 -0.04557 0.05589 -0.02485 -0.10627 92 2PZ -0.02605 -0.01082 -0.02684 0.02874 -0.01047 93 3S 0.53684 0.24348 0.74179 -0.48145 0.73042 94 3PX -0.26546 0.24665 -0.75809 -0.16264 -0.14908 95 3PY 0.02102 0.12679 0.07674 -0.04477 -0.71154 96 3PZ 0.15709 -0.17622 0.26965 -0.15484 0.41203 97 4XX -0.46087 -0.58303 -0.38082 0.29759 0.34207 98 4YY -0.41236 -0.51344 -0.39743 0.28535 0.44482 99 4ZZ -0.46403 -0.59252 -0.40149 0.32166 0.33712 100 4XY -0.01558 0.00924 -0.01438 0.05575 0.01696 101 4XZ -0.04786 -0.00078 -0.05183 -0.01678 -0.01856 102 4YZ 0.03083 -0.00248 0.03153 -0.03631 -0.03517 103 13 C 1S -0.12198 -0.14480 0.09339 0.10582 -0.08444 104 2S 0.69394 0.93620 -0.60023 -0.30241 0.59504 105 2PX 0.02746 -0.04417 -0.02193 0.03259 0.04076 106 2PY 0.01658 0.04557 0.05589 0.02483 -0.10627 107 2PZ -0.02605 -0.01082 0.02684 0.02874 0.01047 108 3S 0.53684 0.24347 -0.74178 -0.48160 -0.73035 109 3PX -0.26546 0.24665 0.75809 -0.16260 0.14911 110 3PY -0.02101 -0.12679 0.07673 0.04466 -0.71155 111 3PZ 0.15709 -0.17622 -0.26965 -0.15491 -0.41201 112 4XX -0.46087 -0.58303 0.38081 0.29754 -0.34212 113 4YY -0.41236 -0.51345 0.39742 0.28530 -0.44486 114 4ZZ -0.46403 -0.59252 0.40148 0.32162 -0.33717 115 4XY 0.01558 -0.00924 -0.01438 -0.05575 0.01697 116 4XZ -0.04786 -0.00078 0.05183 -0.01677 0.01856 117 4YZ -0.03083 0.00248 0.03153 0.03630 -0.03517 118 14 C 1S -0.04060 -0.07435 0.01511 0.18496 -0.09879 119 2S 0.36592 0.32904 -0.21539 -1.02222 0.06305 120 2PX 0.03332 0.06086 -0.05097 -0.03421 -0.00200 121 2PY 0.00923 0.04112 -0.01780 -0.05726 0.08862 122 2PZ -0.03715 -0.02745 0.02198 0.03085 0.03559 123 3S 0.17229 -0.00082 0.70822 -0.67366 -1.50271 124 3PX -0.16207 0.03813 0.37137 0.13069 0.17996 125 3PY -0.46579 0.72949 0.14800 -0.42691 2.52442 126 3PZ 0.10583 0.01316 -0.24041 -0.13310 0.17929 127 4XX -0.20715 -0.23046 0.11003 0.72699 -0.11097 128 4YY -0.22565 -0.28234 0.12943 0.83469 -0.33623 129 4ZZ -0.19123 -0.23913 0.09107 0.68205 -0.17399 130 4XY 0.04910 0.06988 -0.04909 -0.04159 -0.05683 131 4XZ 0.02444 0.00188 -0.05493 -0.04775 -0.09845 132 4YZ -0.04818 -0.04939 0.04183 0.07271 0.01846 133 15 C 1S 0.13135 0.08490 -0.12984 -0.16751 -0.22035 134 2S -0.85584 -0.47386 0.80123 0.88218 1.27311 135 2PX 0.04110 0.03983 -0.02968 -0.09178 -0.04325 136 2PY -0.05917 -0.01151 -0.10952 0.04465 -0.23947 137 2PZ -0.02823 -0.03086 0.02430 0.05073 0.02761 138 3S -0.40653 -0.34836 0.53336 0.89512 0.23139 139 3PX 0.01913 -0.17505 -0.02157 0.27675 -0.32562 140 3PY 0.12906 -0.13351 -0.11812 0.00510 -0.47893 141 3PZ -0.02146 0.13682 -0.00281 -0.15163 0.17859 142 4XX 0.53742 0.33822 -0.51905 -0.65529 -0.84810 143 4YY 0.48885 0.29770 -0.67333 -0.58618 -1.10395 144 4ZZ 0.53239 0.33756 -0.50201 -0.67231 -0.81649 145 4XY -0.01663 -0.02626 0.03744 0.05301 -0.00046 146 4XZ -0.02629 0.00344 0.02836 0.02978 0.03080 147 4YZ 0.01523 0.02014 -0.02557 -0.04114 -0.01302 148 16 C 1S 0.13134 0.08490 0.12984 -0.16747 0.22038 149 2S -0.85583 -0.47386 -0.80125 0.88196 -1.27325 150 2PX 0.04110 0.03983 0.02968 -0.09178 0.04326 151 2PY 0.05917 0.01152 -0.10952 -0.04469 -0.23946 152 2PZ -0.02823 -0.03086 -0.02430 0.05072 -0.02762 153 3S -0.40653 -0.34835 -0.53338 0.89506 -0.23153 154 3PX 0.01913 -0.17505 0.02157 0.27680 0.32557 155 3PY -0.12907 0.13351 -0.11812 -0.00518 -0.47893 156 3PZ -0.02146 0.13682 0.00281 -0.15165 -0.17856 157 4XX 0.53742 0.33822 0.51907 -0.65514 0.84820 158 4YY 0.48884 0.29769 0.67334 -0.58599 1.10404 159 4ZZ 0.53238 0.33755 0.50202 -0.67217 0.81659 160 4XY 0.01663 0.02626 0.03744 -0.05301 -0.00045 161 4XZ -0.02630 0.00343 -0.02836 0.02977 -0.03081 162 4YZ -0.01523 -0.02014 -0.02557 0.04114 -0.01303 163 17 C 1S -0.04060 -0.07435 -0.01511 0.18498 0.09876 164 2S 0.36593 0.32904 0.21541 -1.02222 -0.06288 165 2PX 0.03332 0.06086 0.05097 -0.03421 0.00200 166 2PY -0.00923 -0.04112 -0.01780 0.05727 0.08861 167 2PZ -0.03715 -0.02745 -0.02198 0.03085 -0.03560 168 3S 0.17229 -0.00083 -0.70820 -0.67345 1.50283 169 3PX -0.16206 0.03812 -0.37137 0.13066 -0.17995 170 3PY 0.46579 -0.72949 0.14800 0.42730 2.52436 171 3PZ 0.10583 0.01315 0.24042 -0.13311 -0.17927 172 4XX -0.20715 -0.23047 -0.11005 0.72700 0.11085 173 4YY -0.22565 -0.28234 -0.12945 0.83474 0.33609 174 4ZZ -0.19123 -0.23913 -0.09108 0.68208 0.17387 175 4XY -0.04910 -0.06987 -0.04909 0.04158 -0.05683 176 4XZ 0.02444 0.00188 0.05493 -0.04773 0.09845 177 4YZ 0.04817 0.04939 0.04183 -0.07271 0.01847 178 18 H 1S 0.07968 0.01510 0.12105 -0.03006 -0.02282 179 2S -0.04649 -0.22281 0.00166 0.08309 0.26383 180 19 H 1S 0.07968 0.01510 -0.12105 -0.03006 0.02282 181 2S -0.04649 -0.22281 -0.00166 0.08305 -0.26385 182 20 H 1S -0.04095 -0.04295 0.03030 0.05081 0.04901 183 2S 0.13745 -0.04221 -0.14285 -0.03766 -0.35967 184 21 H 1S -0.04095 -0.04294 -0.03030 0.05080 -0.04902 185 2S 0.13745 -0.04221 0.14285 -0.03760 0.35967 186 22 O 1S 0.05925 -0.07900 -0.01608 0.01109 0.30446 187 2S 0.08972 -0.11442 -0.04296 0.01911 0.51082 188 2PX 0.00734 0.00369 -0.00594 -0.01557 0.01003 189 2PY -0.05043 0.00022 -0.00318 0.09342 -0.07431 190 2PZ 0.00333 -0.00745 0.00251 -0.00562 0.00504 191 3S -0.87874 1.25345 0.27892 -0.33443 -5.00676 192 3PX -0.00830 0.03607 0.07996 -0.02366 -0.12877 193 3PY 0.17536 -0.32613 -0.12753 0.19656 1.29176 194 3PZ -0.03366 0.04243 -0.02906 0.00596 -0.09080 195 4XX 0.20393 -0.27230 -0.05371 0.05133 1.06680 196 4YY 0.19372 -0.17134 -0.00489 -0.12006 0.70808 197 4ZZ 0.19323 -0.27018 -0.07002 0.05423 1.03674 198 4XY -0.00056 -0.02195 -0.02747 0.02159 0.03672 199 4XZ -0.00520 0.00766 -0.00317 0.01441 -0.04702 200 4YZ 0.00818 -0.00956 0.00394 0.00336 0.02243 201 23 O 1S 0.05925 -0.07900 0.01608 0.01105 -0.30446 202 2S 0.08972 -0.11442 0.04296 0.01904 -0.51082 203 2PX 0.00734 0.00369 0.00594 -0.01557 -0.01003 204 2PY 0.05042 -0.00022 -0.00318 -0.09343 -0.07429 205 2PZ 0.00333 -0.00745 -0.00251 -0.00562 -0.00504 206 3S -0.87874 1.25345 -0.27892 -0.33367 5.00681 207 3PX -0.00830 0.03608 -0.07996 -0.02365 0.12879 208 3PY -0.17536 0.32613 -0.12753 -0.19636 1.29179 209 3PZ -0.03366 0.04243 0.02906 0.00597 0.09080 210 4XX 0.20393 -0.27230 0.05371 0.05116 -1.06681 211 4YY 0.19372 -0.17134 0.00490 -0.12017 -0.70806 212 4ZZ 0.19323 -0.27017 0.07002 0.05407 -1.03675 213 4XY 0.00056 0.02196 -0.02747 -0.02159 0.03672 214 4XZ -0.00520 0.00766 0.00317 0.01442 0.04702 215 4YZ -0.00818 0.00956 0.00394 -0.00335 0.02243 211 212 213 214 215 V V V V V Eigenvalues -- 4.46113 4.52092 4.63747 4.64169 4.90997 1 1 C 1S -0.00478 0.19621 -0.33403 -0.21949 -0.12060 2 2S 0.36304 -1.19829 1.09131 0.81023 -0.08159 3 2PX -0.05000 0.01170 0.00091 0.00021 -0.01332 4 2PY -0.01563 0.07544 -0.15991 -0.11202 -0.06400 5 2PZ 0.03392 -0.00902 0.06031 0.03424 -0.01116 6 3S 0.04075 -1.62225 3.76562 2.12792 2.30269 7 3PX 0.26549 0.07647 0.04141 -0.03075 -0.11491 8 3PY -0.06050 -0.18080 1.28039 0.64058 0.96457 9 3PZ 0.06787 -0.17588 -0.41913 -0.18858 -0.37734 10 4XX -0.19676 0.81146 -1.19334 -0.72257 -0.24229 11 4YY -0.12131 0.89039 -1.07342 -0.83968 -0.26674 12 4ZZ -0.12656 0.84838 -1.16851 -0.74240 -0.29671 13 4XY -0.01951 -0.02017 -0.05773 -0.00762 -0.04330 14 4XZ 0.04987 -0.06246 0.10175 0.06545 0.07653 15 4YZ 0.04655 0.07219 -0.00198 -0.00573 -0.03483 16 2 C 1S 0.21128 -0.04990 0.14996 -0.00720 0.02773 17 2S -1.07323 0.34123 -0.73868 0.09999 -0.08064 18 2PX -0.08358 0.06491 -0.09858 -0.01168 -0.00642 19 2PY 0.11811 0.03223 0.03648 -0.00719 -0.00543 20 2PZ 0.04525 -0.04580 0.08777 0.02560 0.00537 21 3S -1.73214 0.38811 -3.05138 -0.62657 -1.45404 22 3PX 0.26903 -0.06142 0.89054 0.28352 0.57552 23 3PY -0.36869 -0.04430 -0.66637 -0.01180 -0.31186 24 3PZ -0.16216 0.02606 -0.60540 -0.17134 -0.32686 25 4XX 0.78908 -0.26210 0.62997 -0.01282 0.09790 26 4YY 0.96728 -0.19499 0.68065 -0.03947 0.10633 27 4ZZ 0.79344 -0.26065 0.61507 0.00214 0.10638 28 4XY 0.03062 -0.03878 0.06678 0.05968 0.01409 29 4XZ -0.03843 0.09457 -0.12831 -0.03457 -0.02196 30 4YZ 0.00342 0.00644 -0.06257 -0.04757 -0.02883 31 3 C 1S -0.21128 -0.04990 -0.14996 -0.00717 -0.02773 32 2S 1.07324 0.34123 0.73870 0.09986 0.08064 33 2PX 0.08358 0.06492 0.09858 -0.01170 0.00642 34 2PY 0.11811 -0.03223 0.03648 0.00718 -0.00543 35 2PZ -0.04526 -0.04580 -0.08776 0.02562 -0.00537 36 3S 1.73214 0.38811 3.05126 -0.62713 1.45404 37 3PX -0.26903 -0.06142 -0.89049 0.28369 -0.57552 38 3PY -0.36869 0.04430 -0.66637 0.01192 -0.31186 39 3PZ 0.16217 0.02606 0.60537 -0.17145 0.32686 40 4XX -0.78908 -0.26210 -0.62997 -0.01271 -0.09790 41 4YY -0.96728 -0.19499 -0.68066 -0.03935 -0.10633 42 4ZZ -0.79344 -0.26065 -0.61507 0.00225 -0.10637 43 4XY 0.03062 0.03878 0.06677 -0.05969 0.01409 44 4XZ 0.03843 0.09457 0.12831 -0.03460 0.02196 45 4YZ 0.00342 -0.00644 -0.06256 0.04758 -0.02883 46 4 C 1S 0.00478 0.19621 0.33399 -0.21955 0.12060 47 2S -0.36303 -1.19829 -1.09116 0.81044 0.08159 48 2PX 0.05000 0.01170 -0.00091 0.00021 0.01332 49 2PY -0.01563 -0.07544 -0.15989 0.11205 -0.06400 50 2PZ -0.03392 -0.00902 -0.06030 0.03425 0.01116 51 3S -0.04074 -1.62225 -3.76524 2.12863 -2.30268 52 3PX -0.26549 0.07647 -0.04141 -0.03075 0.11492 53 3PY -0.06050 0.18080 1.28027 -0.64082 0.96457 54 3PZ -0.06787 -0.17588 0.41908 -0.18866 0.37733 55 4XX 0.19676 0.81146 1.19321 -0.72279 0.24228 56 4YY 0.12130 0.89039 1.07327 -0.83989 0.26673 57 4ZZ 0.12655 0.84838 1.16838 -0.74262 0.29670 58 4XY -0.01951 0.02017 -0.05773 0.00763 -0.04330 59 4XZ -0.04987 -0.06246 -0.10174 0.06547 -0.07653 60 4YZ 0.04656 -0.07219 -0.00198 0.00573 -0.03483 61 5 H 1S 0.03046 -0.03133 0.06067 0.07645 -0.00693 62 2S -0.02166 0.26663 0.01105 -0.05073 0.17856 63 6 H 1S -0.07859 0.02646 -0.06484 0.03527 -0.00746 64 2S 0.11606 -0.07970 -0.10479 -0.07272 -0.12386 65 7 H 1S 0.07859 0.02646 0.06485 0.03526 0.00746 66 2S -0.11606 -0.07970 0.10477 -0.07274 0.12386 67 8 H 1S -0.03046 -0.03133 -0.06065 0.07646 0.00693 68 2S 0.02166 0.26663 -0.01106 -0.05073 -0.17856 69 9 C 1S 0.00000 -0.33923 0.00001 0.07236 0.00000 70 2S 0.00000 1.64410 -0.00004 -0.47027 0.00000 71 2PX 0.00000 -0.04063 0.00000 0.03451 0.00000 72 2PY -0.02253 0.00000 0.04662 0.00000 0.06433 73 2PZ 0.00000 0.13303 0.00000 0.04069 0.00000 74 3S 0.00000 2.93118 -0.00015 -1.67006 -0.00001 75 3PX 0.00000 0.01176 -0.00003 -0.34199 0.00000 76 3PY -0.02121 0.00000 0.57730 -0.00005 0.40845 77 3PZ 0.00000 -0.39144 0.00001 0.16452 0.00000 78 4XX 0.00000 -1.23543 0.00002 0.26054 0.00000 79 4YY 0.00000 -1.40069 0.00004 0.40770 0.00000 80 4ZZ 0.00000 -1.28808 0.00003 0.33546 0.00000 81 4XY -0.00103 0.00000 -0.06941 0.00001 -0.02256 82 4XZ 0.00000 0.10323 0.00000 -0.03477 0.00000 83 4YZ 0.01743 0.00000 0.11826 -0.00001 0.00749 84 10 H 1S 0.00000 0.02076 0.00000 -0.00617 0.00000 85 2S 0.00000 -0.48278 0.00001 0.07785 0.00000 86 11 H 1S 0.00000 -0.02115 0.00001 0.07616 0.00000 87 2S 0.00000 -0.25766 0.00002 0.23215 0.00000 88 12 C 1S 0.23437 0.14534 -0.08795 0.24843 -0.32899 89 2S -0.96486 -0.71727 -0.14338 -0.80376 0.76418 90 2PX 0.02921 -0.02035 0.02151 -0.04217 0.00616 91 2PY -0.13073 -0.00383 0.01845 0.00202 0.05135 92 2PZ 0.03910 0.08229 -0.03244 0.09547 -0.12815 93 3S -1.77739 -0.81484 1.82037 -2.17410 7.43366 94 3PX -0.33980 0.27648 -0.09423 0.33631 -1.29467 95 3PY 0.13446 0.11837 -0.10406 0.09893 -1.72130 96 3PZ -0.06115 -0.28566 0.75361 -0.65161 1.94899 97 4XX 0.77567 0.59996 -0.09016 0.82384 -0.99544 98 4YY 0.95884 0.49047 -0.22125 0.77749 -1.24267 99 4ZZ 0.81205 0.56028 -0.15899 0.86796 -1.01594 100 4XY 0.05097 -0.02560 -0.05682 -0.09699 0.09926 101 4XZ 0.02076 -0.00005 -0.00109 -0.05536 0.02059 102 4YZ 0.01846 0.01873 0.02134 0.01292 -0.10701 103 13 C 1S -0.23437 0.14534 0.08799 0.24841 0.32899 104 2S 0.96487 -0.71727 0.14323 -0.80379 -0.76418 105 2PX -0.02921 -0.02035 -0.02152 -0.04217 -0.00616 106 2PY -0.13073 0.00383 0.01845 -0.00202 0.05135 107 2PZ -0.03910 0.08229 0.03246 0.09547 0.12815 108 3S 1.77739 -0.81483 -1.82078 -2.17375 -7.43365 109 3PX 0.33980 0.27648 0.09430 0.33630 1.29466 110 3PY 0.13446 -0.11837 -0.10408 -0.09892 -1.72132 111 3PZ 0.06115 -0.28565 -0.75373 -0.65146 -1.94899 112 4XX -0.77567 0.59996 0.09031 0.82383 0.99544 113 4YY -0.95884 0.49046 0.22140 0.77744 1.24267 114 4ZZ -0.81205 0.56028 0.15915 0.86793 1.01594 115 4XY 0.05097 0.02561 -0.05680 0.09700 0.09926 116 4XZ -0.02076 -0.00005 0.00108 -0.05536 -0.02059 117 4YZ 0.01846 -0.01873 0.02133 -0.01293 -0.10701 118 14 C 1S -0.15602 -0.11102 0.13839 -0.18220 -0.24144 119 2S 0.65416 0.47724 -0.70845 0.66517 0.60882 120 2PX 0.05189 -0.01939 0.03538 -0.01285 0.02581 121 2PY 0.05170 0.03288 -0.00790 0.08966 0.06985 122 2PZ -0.03793 0.02412 0.01340 0.03968 0.03052 123 3S 0.20372 0.46899 -0.32907 0.14834 2.53027 124 3PX -0.24258 0.25775 0.39825 0.56058 0.94548 125 3PY 1.11893 0.75444 -0.06161 2.28873 4.08699 126 3PZ 0.25384 -0.05457 -0.27847 -0.07700 -0.06159 127 4XX -0.51292 -0.41940 0.56617 -0.64923 -0.77683 128 4YY -0.64504 -0.46083 0.63580 -0.76317 -0.89845 129 4ZZ -0.52063 -0.40695 0.51210 -0.59872 -0.76163 130 4XY 0.06800 -0.04269 0.00522 -0.06826 -0.04108 131 4XZ -0.00201 0.07390 -0.04274 0.10857 0.12529 132 4YZ -0.08448 0.01440 0.04696 0.03569 0.03083 133 15 C 1S 0.12651 0.01860 -0.09885 0.05036 0.09472 134 2S -0.64786 -0.15530 0.49859 -0.22923 -0.30577 135 2PX 0.04406 0.01514 -0.04684 0.02664 0.01688 136 2PY 0.05989 -0.01434 -0.05228 0.00683 0.03530 137 2PZ -0.03738 -0.01996 0.03371 -0.02890 -0.00929 138 3S -1.78074 -0.11475 1.05058 -0.31750 -3.96126 139 3PX -0.48765 -0.11220 0.30768 -0.38956 -1.29626 140 3PY -0.36949 -0.12255 -0.05308 -0.46047 -1.82115 141 3PZ 0.36019 0.09451 -0.21076 0.26371 0.83421 142 4XX 0.49195 0.09775 -0.38374 0.19198 0.30797 143 4YY 0.59835 0.10090 -0.49186 0.20268 0.43310 144 4ZZ 0.48284 0.08544 -0.38100 0.19492 0.31784 145 4XY -0.07479 -0.02879 0.06606 -0.05448 -0.08893 146 4XZ -0.03893 -0.01521 0.04423 0.00203 -0.02776 147 4YZ 0.04937 0.02869 -0.04556 0.05777 0.08401 148 16 C 1S -0.12652 0.01860 0.09886 0.05034 -0.09472 149 2S 0.64787 -0.15528 -0.49863 -0.22914 0.30577 150 2PX -0.04406 0.01514 0.04685 0.02663 -0.01688 151 2PY 0.05989 0.01434 -0.05228 -0.00682 0.03530 152 2PZ 0.03738 -0.01996 -0.03371 -0.02889 0.00929 153 3S 1.78075 -0.11472 -1.05064 -0.31731 3.96126 154 3PX 0.48765 -0.11219 -0.30776 -0.38949 1.29625 155 3PY -0.36950 0.12255 -0.05299 0.46049 -1.82117 156 3PZ -0.36019 0.09451 0.21081 0.26367 -0.83421 157 4XX -0.49196 0.09774 0.38378 0.19191 -0.30797 158 4YY -0.59836 0.10088 0.49190 0.20259 -0.43310 159 4ZZ -0.48284 0.08543 0.38104 0.19485 -0.31784 160 4XY -0.07480 0.02879 0.06608 0.05447 -0.08893 161 4XZ 0.03893 -0.01521 -0.04423 0.00203 0.02776 162 4YZ 0.04937 -0.02869 -0.04557 -0.05776 0.08401 163 17 C 1S 0.15602 -0.11102 -0.13842 -0.18218 0.24144 164 2S -0.65417 0.47722 0.70858 0.66503 -0.60882 165 2PX -0.05189 -0.01939 -0.03538 -0.01284 -0.02581 166 2PY 0.05171 -0.03288 -0.00792 -0.08966 0.06985 167 2PZ 0.03793 0.02412 -0.01339 0.03968 -0.03052 168 3S -0.20373 0.46898 0.32911 0.14827 -2.53026 169 3PX 0.24260 0.25775 -0.39814 0.56063 -0.94544 170 3PY 1.11894 -0.75444 -0.06203 -2.28873 4.08699 171 3PZ -0.25384 -0.05458 0.27846 -0.07705 0.06160 172 4XX 0.51293 -0.41938 -0.56629 -0.64912 0.77683 173 4YY 0.64505 -0.46082 -0.63594 -0.76305 0.89844 174 4ZZ 0.52064 -0.40694 -0.51222 -0.59862 0.76162 175 4XY 0.06800 0.04269 0.00523 0.06826 -0.04107 176 4XZ 0.00201 0.07390 0.04276 0.10856 -0.12529 177 4YZ -0.08448 -0.01441 0.04695 -0.03570 0.03083 178 18 H 1S 0.03236 -0.06877 -0.00169 -0.06559 0.02906 179 2S 0.25110 -0.03531 0.03835 0.09350 0.22478 180 19 H 1S -0.03236 -0.06877 0.00168 -0.06560 -0.02906 181 2S -0.25110 -0.03532 -0.03834 0.09351 -0.22479 182 20 H 1S -0.04382 -0.02024 0.01809 -0.05720 -0.09617 183 2S -0.04771 -0.05538 -0.02772 -0.19898 -0.43613 184 21 H 1S 0.04382 -0.02024 -0.01810 -0.05720 0.09617 185 2S 0.04771 -0.05538 0.02768 -0.19898 0.43613 186 22 O 1S 0.10050 -0.05302 0.01029 -0.20709 0.21764 187 2S 0.17868 -0.11592 0.02663 -0.47079 0.56835 188 2PX 0.00016 0.00398 0.00929 -0.00499 -0.00529 189 2PY 0.03555 -0.02386 -0.08073 0.01076 0.00401 190 2PZ -0.00170 -0.00119 0.00949 0.00350 -0.00332 191 3S -1.75529 0.99260 -0.07673 3.76364 -4.43933 192 3PX -0.11509 -0.01663 0.03996 0.05528 -0.01523 193 3PY 0.51449 -0.32056 -0.07815 -1.08365 1.17555 194 3PZ 0.00244 0.04890 -0.04702 0.11293 -0.13583 195 4XX 0.35609 -0.19248 0.01446 -0.71848 0.73542 196 4YY 0.14479 -0.04159 0.15220 -0.36012 0.37794 197 4ZZ 0.35381 -0.19570 0.02235 -0.73684 0.75720 198 4XY 0.04207 0.00121 -0.00924 -0.02466 0.02296 199 4XZ -0.00689 -0.01164 -0.00921 -0.01534 0.01431 200 4YZ -0.00207 -0.02526 0.00505 -0.05348 0.05476 201 23 O 1S -0.10050 -0.05302 -0.01033 -0.20709 -0.21764 202 2S -0.17868 -0.11592 -0.02672 -0.47078 -0.56835 203 2PX -0.00016 0.00399 -0.00929 -0.00498 0.00529 204 2PY 0.03555 0.02386 -0.08073 -0.01075 0.00401 205 2PZ 0.00170 -0.00119 -0.00949 0.00350 0.00332 206 3S 1.75529 0.99260 0.07743 3.76361 4.43933 207 3PX 0.11510 -0.01663 -0.03995 0.05530 0.01525 208 3PY 0.51449 0.32056 -0.07795 1.08366 1.17555 209 3PZ -0.00244 0.04890 0.04704 0.11292 0.13583 210 4XX -0.35609 -0.19248 -0.01459 -0.71847 -0.73542 211 4YY -0.14479 -0.04159 -0.15226 -0.36009 -0.37794 212 4ZZ -0.35381 -0.19570 -0.02249 -0.73684 -0.75720 213 4XY 0.04208 -0.00121 -0.00923 0.02467 0.02296 214 4XZ 0.00689 -0.01164 0.00921 -0.01534 -0.01431 215 4YZ -0.00207 0.02526 0.00506 0.05348 0.05476 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05588 2 2S -0.06347 0.33136 3 2PX -0.00188 0.00585 0.36493 4 2PY 0.00383 0.00245 0.01259 0.42724 5 2PZ -0.00083 0.00299 -0.05574 -0.00473 0.35262 6 3S -0.20651 0.31272 -0.02760 -0.02673 -0.02525 7 3PX 0.00614 -0.01452 0.19121 -0.01420 0.03487 8 3PY -0.01021 -0.00362 0.00868 0.13562 -0.00838 9 3PZ 0.00534 -0.00134 0.02110 -0.00760 0.16583 10 4XX -0.01198 -0.01143 0.01109 0.00331 -0.00456 11 4YY -0.01922 0.00304 -0.00899 -0.01392 0.00980 12 4ZZ -0.01278 -0.00997 -0.00512 0.00565 -0.00433 13 4XY -0.00142 0.00304 0.00718 -0.00491 -0.00270 14 4XZ 0.00284 -0.00630 -0.00562 -0.00313 0.00386 15 4YZ 0.00101 -0.00194 -0.00287 0.01289 0.00898 16 2 C 1S 0.01661 -0.03093 -0.06078 -0.02178 0.04384 17 2S -0.03337 0.05743 0.12959 0.03983 -0.09115 18 2PX 0.06376 -0.12764 -0.08145 -0.07812 0.23182 19 2PY 0.02727 -0.06242 -0.11176 -0.01340 0.07213 20 2PZ -0.03648 0.07600 0.25156 0.03700 0.00976 21 3S 0.01473 0.00770 0.05527 0.07070 -0.06900 22 3PX 0.00613 -0.02920 0.03262 -0.03497 0.10232 23 3PY 0.00667 -0.01128 -0.07570 0.02112 0.03896 24 3PZ 0.00610 0.00234 0.10301 0.00814 0.04228 25 4XX -0.00286 0.00532 -0.00576 0.00508 -0.00738 26 4YY 0.00245 -0.00591 -0.00620 -0.01054 0.00518 27 4ZZ -0.00068 0.00089 0.00259 0.00208 0.00936 28 4XY -0.00310 0.00586 0.00403 -0.00533 -0.00570 29 4XZ 0.00415 -0.00779 -0.00543 -0.00702 -0.00061 30 4YZ 0.00245 -0.00443 -0.00626 0.00480 0.00117 31 3 C 1S -0.00481 0.01206 0.00706 0.01466 -0.00217 32 2S 0.01159 -0.02776 -0.02539 -0.03290 0.00853 33 2PX -0.00660 0.01693 -0.00238 0.01893 0.00602 34 2PY -0.01019 0.03248 0.03181 0.02053 -0.02544 35 2PZ 0.00881 -0.01684 -0.01121 -0.01383 -0.00561 36 3S 0.00543 -0.03023 0.05690 -0.11051 -0.00834 37 3PX 0.00288 0.00142 -0.05259 0.01439 0.00605 38 3PY -0.00290 0.01487 -0.00910 0.03735 -0.01099 39 3PZ -0.00091 -0.00175 0.02061 -0.00538 -0.02113 40 4XX 0.00029 -0.00032 0.00222 -0.00025 0.00216 41 4YY -0.00146 0.00318 0.00361 0.00440 -0.00305 42 4ZZ -0.00027 0.00094 -0.00230 0.00072 -0.00105 43 4XY -0.00212 0.00454 0.00154 0.00488 -0.00886 44 4XZ 0.00020 -0.00064 -0.00035 -0.00074 0.00032 45 4YZ 0.00113 -0.00238 -0.01048 -0.00275 -0.00218 46 4 C 1S -0.00485 0.00907 0.00095 0.01325 -0.00701 47 2S 0.00907 -0.02458 0.00302 -0.03580 0.01297 48 2PX 0.00095 0.00302 -0.07821 0.00337 -0.05018 49 2PY -0.01325 0.03580 -0.00337 0.03928 0.00104 50 2PZ -0.00701 0.01296 -0.05018 -0.00104 -0.07580 51 3S 0.02225 -0.03448 -0.05579 -0.05706 0.05607 52 3PX -0.00221 0.00760 -0.09068 0.02306 -0.05081 53 3PY -0.01002 0.01433 0.03457 0.01047 0.00167 54 3PZ -0.00587 0.00786 -0.04061 -0.01625 -0.05625 55 4XX 0.00060 -0.00170 0.00064 -0.00310 -0.00113 56 4YY -0.00299 0.00643 -0.00321 0.01255 0.00349 57 4ZZ 0.00080 -0.00256 0.00277 -0.00549 -0.00251 58 4XY -0.00042 0.00108 -0.00037 0.00100 -0.00120 59 4XZ -0.00034 0.00056 0.00009 0.00165 0.00117 60 4YZ 0.00007 0.00038 -0.00110 0.00053 -0.00121 61 5 H 1S -0.06339 0.11899 -0.04898 -0.25521 0.05993 62 2S -0.01474 0.02691 -0.01754 -0.20899 0.05506 63 6 H 1S 0.01289 -0.02687 -0.03861 0.00372 0.02926 64 2S 0.01717 -0.02960 -0.07837 0.01894 0.05448 65 7 H 1S -0.00892 0.02090 0.02527 0.01546 -0.01355 66 2S -0.01359 0.02920 0.05793 0.02838 -0.02455 67 8 H 1S -0.00895 0.02085 -0.01221 0.02911 0.00808 68 2S -0.01155 0.02975 -0.03652 0.05780 -0.00213 69 9 C 1S 0.01239 -0.02252 0.02049 -0.04745 -0.03706 70 2S -0.02352 0.04064 -0.04682 0.09464 0.07546 71 2PX -0.01370 0.02561 0.00589 0.04870 0.06089 72 2PY 0.05293 -0.11431 0.08426 -0.17875 -0.17360 73 2PZ 0.04216 -0.08692 0.07960 -0.13634 -0.08152 74 3S 0.00484 0.01016 -0.02402 0.11341 0.07383 75 3PX -0.00078 0.00570 0.01762 0.02014 0.03020 76 3PY 0.00832 -0.02930 0.04888 -0.08053 -0.09345 77 3PZ 0.00745 -0.02434 0.02088 -0.05972 -0.04275 78 4XX 0.00201 -0.00424 0.00658 -0.00374 -0.00424 79 4YY -0.00355 0.00604 -0.00459 -0.00468 0.00594 80 4ZZ -0.00031 -0.00008 0.00112 0.00241 -0.00544 81 4XY 0.00221 -0.00436 -0.00845 -0.00456 -0.00719 82 4XZ 0.00203 -0.00388 -0.00382 -0.00486 0.00064 83 4YZ -0.00495 0.01002 -0.00632 0.00988 0.00069 84 10 H 1S 0.00787 -0.01726 0.01653 -0.01558 -0.02926 85 2S 0.01093 -0.01961 0.04844 -0.02670 -0.03364 86 11 H 1S 0.00924 -0.02396 0.01836 -0.01690 -0.00363 87 2S 0.01403 -0.03102 0.01334 -0.03576 -0.02834 88 12 C 1S -0.00138 0.00437 -0.00315 0.00497 -0.00052 89 2S 0.00253 -0.00366 0.00497 -0.00682 0.00329 90 2PX 0.00949 -0.02429 0.02520 -0.01736 0.01188 91 2PY -0.00180 0.00626 -0.01756 0.01273 -0.01603 92 2PZ 0.00909 -0.02179 0.02282 -0.01634 0.00966 93 3S 0.00499 -0.02606 0.02359 -0.03920 -0.01840 94 3PX 0.00828 -0.02023 0.01785 -0.01730 0.02271 95 3PY -0.00116 0.00858 -0.00607 0.01190 -0.00137 96 3PZ 0.00706 -0.02279 0.03727 -0.01643 0.00765 97 4XX -0.00030 0.00071 0.00033 0.00050 0.00042 98 4YY 0.00008 -0.00004 -0.00010 0.00007 -0.00024 99 4ZZ -0.00017 0.00036 0.00065 0.00033 0.00098 100 4XY 0.00035 -0.00037 0.00478 -0.00108 0.00404 101 4XZ 0.00011 -0.00032 0.00159 -0.00031 0.00206 102 4YZ 0.00041 -0.00049 0.00437 -0.00093 0.00447 103 13 C 1S -0.00219 0.00171 0.00623 -0.00161 0.00550 104 2S 0.00203 -0.01398 -0.00577 -0.00146 -0.00901 105 2PX -0.00550 0.00685 -0.09400 0.01402 -0.07591 106 2PY -0.00058 0.00215 0.01782 -0.01101 0.01524 107 2PZ -0.00731 0.01154 -0.08418 0.01057 -0.09388 108 3S 0.01382 0.00283 -0.01791 0.01923 0.00294 109 3PX 0.00214 -0.00357 -0.05487 0.00742 -0.07226 110 3PY -0.00408 0.01196 -0.00248 0.01152 0.01413 111 3PZ 0.00083 0.00779 -0.07719 0.01177 -0.06000 112 4XX -0.00105 0.00174 -0.00071 0.00089 -0.00358 113 4YY -0.00018 -0.00109 0.00191 -0.00182 0.00143 114 4ZZ -0.00061 0.00031 -0.00310 0.00148 0.00071 115 4XY 0.00072 -0.00165 0.00283 0.00076 0.00181 116 4XZ -0.00107 0.00311 -0.00443 0.00126 -0.00248 117 4YZ 0.00083 -0.00180 0.00284 0.00050 0.00250 118 14 C 1S -0.00136 0.00342 -0.00461 -0.00026 -0.00036 119 2S 0.00291 -0.00666 0.01563 0.00254 0.00200 120 2PX 0.00504 -0.01265 0.00602 0.00777 -0.01040 121 2PY 0.00171 -0.00175 0.01170 -0.00197 0.00275 122 2PZ 0.00135 -0.00214 -0.02295 0.00875 -0.01907 123 3S 0.00388 -0.00965 0.00580 -0.00777 -0.00870 124 3PX 0.00155 -0.00923 0.00139 0.00454 -0.00455 125 3PY 0.00137 -0.00999 0.02081 -0.00169 -0.01380 126 3PZ 0.00324 -0.00500 -0.00652 0.00257 -0.00212 127 4XX -0.00072 0.00069 -0.00499 -0.00018 -0.00423 128 4YY -0.00005 -0.00011 0.00236 -0.00016 0.00095 129 4ZZ -0.00006 0.00028 0.00253 0.00022 0.00263 130 4XY -0.00032 0.00044 -0.00246 -0.00022 -0.00248 131 4XZ -0.00062 0.00118 -0.00309 -0.00033 -0.00156 132 4YZ -0.00055 0.00090 -0.00507 0.00076 -0.00349 133 15 C 1S 0.00011 -0.00011 0.00092 -0.00064 -0.00015 134 2S 0.00061 -0.00051 -0.00056 0.00066 -0.00003 135 2PX 0.00046 0.00204 0.00238 0.00368 0.00493 136 2PY -0.00055 0.00017 0.00031 -0.00156 0.00051 137 2PZ -0.00024 0.00213 0.00642 0.00319 0.00730 138 3S -0.00447 0.00919 -0.01942 0.01023 0.00946 139 3PX -0.00235 0.00619 -0.00102 0.00539 0.00873 140 3PY -0.00081 0.00505 -0.00496 0.00090 0.00687 141 3PZ 0.00076 0.00007 0.00685 0.00242 0.00323 142 4XX 0.00030 -0.00043 0.00017 0.00032 -0.00061 143 4YY 0.00003 -0.00001 -0.00026 -0.00002 0.00000 144 4ZZ 0.00013 0.00002 0.00094 -0.00044 0.00072 145 4XY -0.00006 0.00019 0.00049 -0.00025 0.00062 146 4XZ 0.00001 -0.00006 -0.00062 -0.00003 -0.00056 147 4YZ -0.00016 0.00035 -0.00001 -0.00020 0.00030 148 16 C 1S 0.00004 0.00024 -0.00001 0.00017 -0.00100 149 2S -0.00036 0.00026 -0.00137 0.00040 0.00290 150 2PX -0.00020 0.00217 0.00908 -0.00102 0.01207 151 2PY 0.00058 -0.00109 0.00280 0.00071 0.00201 152 2PZ -0.00074 0.00434 0.01031 -0.00217 0.01056 153 3S 0.00350 -0.01065 0.00889 -0.00380 -0.00513 154 3PX 0.00079 -0.00045 0.00491 -0.00175 0.00320 155 3PY -0.00049 0.00219 -0.00536 0.00275 0.00697 156 3PZ -0.00196 0.00539 0.00536 -0.00222 0.00827 157 4XX 0.00014 -0.00020 0.00015 -0.00008 -0.00016 158 4YY 0.00001 -0.00010 0.00003 -0.00005 0.00018 159 4ZZ -0.00011 0.00030 -0.00059 0.00033 -0.00027 160 4XY -0.00005 -0.00012 0.00002 -0.00017 0.00001 161 4XZ 0.00009 -0.00022 0.00062 -0.00036 0.00013 162 4YZ 0.00002 -0.00001 -0.00022 -0.00010 -0.00034 163 17 C 1S 0.00056 -0.00121 0.00340 -0.00124 0.00207 164 2S -0.00120 0.00285 -0.01021 0.00432 -0.00746 165 2PX 0.00080 0.00142 -0.00147 -0.00079 -0.00417 166 2PY 0.00124 -0.00433 0.01044 -0.00491 0.00707 167 2PZ 0.00310 -0.00735 0.02074 -0.00873 0.01612 168 3S -0.00158 0.00600 -0.01740 0.00717 0.00617 169 3PX 0.00117 -0.00093 -0.00523 0.00145 0.00552 170 3PY 0.00182 -0.00563 0.00365 0.00156 -0.00606 171 3PZ 0.00067 -0.00123 0.01495 -0.00599 0.00566 172 4XX 0.00057 -0.00098 0.00081 -0.00036 0.00043 173 4YY 0.00008 0.00019 -0.00040 0.00025 0.00029 174 4ZZ -0.00023 0.00075 -0.00078 0.00058 -0.00058 175 4XY -0.00029 0.00059 -0.00095 0.00068 -0.00043 176 4XZ 0.00028 -0.00067 0.00160 -0.00070 0.00072 177 4YZ -0.00058 0.00129 -0.00261 0.00118 -0.00161 178 18 H 1S -0.00158 0.00449 -0.01094 0.00486 -0.01167 179 2S -0.00255 0.00427 -0.00741 0.00757 -0.01515 180 19 H 1S 0.00453 -0.01158 0.00920 0.00213 0.02062 181 2S 0.00361 -0.00775 -0.00274 0.00487 0.02496 182 20 H 1S 0.00024 -0.00040 0.00237 0.00035 0.00135 183 2S -0.00025 0.00095 0.00527 -0.00077 0.00440 184 21 H 1S -0.00010 0.00050 -0.00128 0.00069 -0.00120 185 2S -0.00006 0.00073 -0.00297 0.00146 -0.00545 186 22 O 1S -0.00011 0.00021 -0.00057 0.00070 -0.00022 187 2S 0.00048 -0.00094 0.00105 -0.00114 0.00031 188 2PX -0.00182 0.00683 -0.01243 0.00553 -0.00511 189 2PY -0.00067 0.00327 -0.00712 0.00369 -0.00549 190 2PZ -0.00585 0.01209 -0.03065 0.01292 -0.02075 191 3S -0.00064 0.00183 0.00419 -0.00617 0.00327 192 3PX -0.00159 0.00518 -0.00805 0.00351 -0.00402 193 3PY -0.00031 0.00188 -0.00620 0.00431 -0.00380 194 3PZ -0.00465 0.00982 -0.02597 0.01102 -0.01675 195 4XX 0.00012 -0.00011 -0.00001 0.00039 0.00009 196 4YY 0.00006 -0.00033 0.00020 -0.00011 -0.00013 197 4ZZ 0.00000 0.00009 -0.00054 0.00045 -0.00035 198 4XY 0.00007 -0.00032 0.00042 -0.00010 0.00038 199 4XZ -0.00001 0.00004 0.00013 -0.00001 0.00013 200 4YZ 0.00015 -0.00028 0.00065 -0.00028 0.00029 201 23 O 1S -0.00019 0.00028 -0.00148 -0.00181 0.00029 202 2S 0.00108 -0.00053 0.00084 0.00453 0.00116 203 2PX 0.00677 -0.01462 0.04253 0.01206 0.02660 204 2PY -0.00171 0.00124 -0.00639 -0.00043 -0.00376 205 2PZ 0.00658 -0.01323 0.05132 -0.00224 0.03228 206 3S -0.00118 -0.00582 0.01868 0.00656 -0.01053 207 3PX 0.00374 -0.00786 0.03153 0.00786 0.01944 208 3PY -0.00170 -0.00017 -0.00019 0.00155 -0.00543 209 3PZ 0.00415 -0.00879 0.04076 -0.00289 0.02474 210 4XX 0.00028 0.00037 -0.00151 -0.00056 0.00028 211 4YY 0.00030 0.00014 -0.00096 0.00050 0.00042 212 4ZZ 0.00054 0.00011 -0.00032 -0.00004 0.00125 213 4XY 0.00037 -0.00084 0.00214 0.00084 0.00074 214 4XZ -0.00004 0.00006 -0.00009 -0.00030 0.00005 215 4YZ 0.00027 -0.00066 0.00154 0.00026 0.00063 6 7 8 9 10 6 3S 0.34826 7 3PX -0.02863 0.12345 8 3PY 0.00098 0.00060 0.05500 9 3PZ -0.01743 0.04274 -0.00415 0.08841 10 4XX -0.01294 0.00519 -0.00008 -0.00041 0.00154 11 4YY 0.00628 -0.00208 -0.00352 0.00334 -0.00081 12 4ZZ -0.00800 -0.00349 0.00209 -0.00282 0.00022 13 4XY 0.00332 0.00275 -0.00110 -0.00016 0.00001 14 4XZ -0.00569 -0.00165 -0.00176 0.00100 0.00009 15 4YZ -0.00441 -0.00057 0.00286 0.00322 0.00006 16 2 C 1S -0.00856 -0.01218 -0.00926 0.00654 -0.00330 17 2S 0.03679 0.03680 0.02391 -0.01741 0.00590 18 2PX -0.16445 0.00115 -0.04968 0.10591 0.00717 19 2PY -0.01462 -0.04881 0.02217 0.02986 -0.00463 20 2PZ 0.03328 0.13173 -0.00429 0.03363 0.01059 21 3S -0.03004 -0.00989 0.01881 -0.01507 0.00778 22 3PX -0.04555 0.04186 -0.01923 0.05577 0.00510 23 3PY 0.00302 -0.03888 0.01219 0.01165 -0.00277 24 3PZ -0.03366 0.05937 -0.01419 0.03289 0.00766 25 4XX 0.00594 -0.00453 0.00107 -0.00487 -0.00029 26 4YY -0.00498 -0.00198 -0.00297 0.00213 -0.00018 27 4ZZ -0.00067 0.00330 -0.00017 0.00447 -0.00004 28 4XY 0.00785 0.00115 -0.00216 -0.00268 0.00013 29 4XZ -0.00508 -0.00191 -0.00177 -0.00090 -0.00005 30 4YZ -0.00803 -0.00470 -0.00037 -0.00044 0.00038 31 3 C 1S 0.01071 0.00449 0.00304 -0.00116 0.00006 32 2S -0.03497 -0.01699 -0.01205 0.00372 -0.00024 33 2PX 0.04385 -0.00150 -0.00833 -0.00614 0.00646 34 2PY -0.00130 0.01818 -0.02630 -0.02220 0.00128 35 2PZ -0.09318 -0.03877 -0.04483 -0.00821 0.00796 36 3S -0.02762 0.03815 -0.03542 0.00418 0.00250 37 3PX 0.00073 -0.03561 -0.01019 -0.00835 0.00306 38 3PY -0.00414 -0.01171 -0.00165 -0.01052 0.00066 39 3PZ -0.03717 -0.00684 -0.02569 -0.01163 0.00663 40 4XX -0.00086 0.00327 0.00008 0.00124 -0.00010 41 4YY 0.00462 0.00050 0.00262 -0.00033 0.00017 42 4ZZ 0.00077 -0.00186 -0.00089 -0.00169 -0.00009 43 4XY 0.00771 -0.00016 0.00284 -0.00481 -0.00036 44 4XZ 0.00031 -0.00013 0.00053 0.00076 0.00011 45 4YZ -0.00203 -0.00694 -0.00063 -0.00190 -0.00037 46 4 C 1S 0.02225 -0.00221 0.01002 -0.00587 0.00060 47 2S -0.03448 0.00760 -0.01433 0.00786 -0.00170 48 2PX -0.05579 -0.09069 -0.03457 -0.04061 0.00064 49 2PY 0.05706 -0.02306 0.01047 0.01625 0.00310 50 2PZ 0.05607 -0.05081 -0.00167 -0.05625 -0.00113 51 3S -0.03039 -0.01283 -0.01145 0.02699 -0.00491 52 3PX -0.01283 -0.08253 -0.01229 -0.04128 -0.00034 53 3PY 0.01145 0.01229 -0.00374 0.00866 0.00320 54 3PZ 0.02699 -0.04128 -0.00866 -0.03855 -0.00068 55 4XX -0.00491 -0.00034 -0.00320 -0.00068 0.00069 56 4YY 0.00857 -0.00228 0.00519 0.00160 -0.00038 57 4ZZ -0.00106 0.00255 -0.00078 -0.00101 -0.00012 58 4XY 0.00206 0.00104 0.00058 -0.00110 -0.00002 59 4XZ 0.00103 0.00030 0.00020 0.00052 0.00019 60 4YZ 0.00086 -0.00153 0.00086 0.00060 0.00005 61 5 H 1S 0.13648 -0.00946 -0.07951 0.02550 -0.00857 62 2S 0.04306 0.01126 -0.05456 0.02621 -0.00561 63 6 H 1S -0.05788 -0.02140 -0.00933 0.01195 0.00248 64 2S -0.05989 -0.03823 -0.00846 0.01559 0.00025 65 7 H 1S 0.04296 0.02338 0.00293 -0.01060 -0.00009 66 2S 0.04959 0.03988 0.00922 -0.01230 0.00043 67 8 H 1S 0.04281 -0.01646 0.01299 0.01188 -0.00009 68 2S 0.05261 -0.03535 0.02475 0.00168 -0.00140 69 9 C 1S -0.00121 0.00107 -0.01027 -0.00275 0.00197 70 2S 0.02020 -0.00793 0.02774 0.01298 -0.00497 71 2PX 0.02819 0.00323 0.01176 0.01871 -0.00769 72 2PY -0.07463 0.04034 -0.04571 -0.08014 0.00363 73 2PZ -0.09527 0.02687 -0.04875 -0.02725 0.00562 74 3S -0.02468 0.00393 0.02365 0.01055 -0.00145 75 3PX -0.00055 0.00695 0.00044 0.01148 -0.00249 76 3PY -0.00571 0.02095 -0.01963 -0.04240 0.00141 77 3PZ -0.01528 0.00289 -0.01042 -0.01664 -0.00079 78 4XX -0.00672 0.00246 -0.00200 -0.00108 0.00070 79 4YY 0.00846 -0.00170 -0.00116 0.00276 -0.00050 80 4ZZ -0.00006 -0.00013 0.00112 -0.00269 -0.00015 81 4XY -0.00361 -0.00634 -0.00210 -0.00496 -0.00008 82 4XZ -0.00170 -0.00124 -0.00136 -0.00037 -0.00026 83 4YZ 0.00934 -0.00529 0.00247 -0.00051 -0.00027 84 10 H 1S -0.03687 0.00848 -0.00796 -0.01133 0.00497 85 2S -0.04455 0.01891 -0.01766 -0.00531 0.00637 86 11 H 1S -0.03165 0.00839 -0.00939 -0.00847 -0.00180 87 2S -0.03246 0.00469 -0.01610 -0.01497 0.00055 88 12 C 1S -0.00204 -0.00196 -0.00255 -0.00021 -0.00061 89 2S -0.00498 0.00329 -0.00104 0.00214 0.00105 90 2PX -0.02385 0.03415 -0.00745 0.01414 0.00574 91 2PY -0.00561 -0.02262 -0.01962 -0.01360 0.00133 92 2PZ -0.03620 0.04063 -0.00690 0.00862 0.00424 93 3S -0.03013 0.01035 -0.01258 -0.01339 0.00341 94 3PX -0.02537 0.02736 -0.00766 0.01665 0.00381 95 3PY 0.00051 -0.00683 -0.00961 0.00028 0.00158 96 3PZ -0.03115 0.04063 -0.00803 0.00951 0.00426 97 4XX 0.00082 0.00024 0.00046 0.00030 -0.00024 98 4YY 0.00020 0.00010 0.00049 0.00001 0.00005 99 4ZZ 0.00037 0.00047 -0.00053 0.00063 0.00011 100 4XY 0.00045 0.00315 0.00040 0.00310 -0.00004 101 4XZ 0.00022 0.00233 0.00099 0.00139 -0.00009 102 4YZ -0.00088 0.00400 0.00043 0.00262 -0.00019 103 13 C 1S 0.01599 -0.00175 0.00381 -0.00314 -0.00129 104 2S -0.01073 0.00447 0.00250 0.00128 0.00225 105 2PX -0.00311 -0.05779 -0.00800 -0.05632 0.00173 106 2PY 0.01239 0.01569 0.01863 0.00853 -0.00209 107 2PZ 0.01790 -0.06835 -0.00622 -0.05215 0.00414 108 3S -0.00436 -0.00234 -0.00873 0.01416 0.00430 109 3PX -0.00432 -0.03930 -0.00559 -0.04660 0.00214 110 3PY 0.01641 0.00220 0.01047 0.00819 -0.00189 111 3PZ 0.00596 -0.05621 -0.00928 -0.03786 0.00262 112 4XX 0.00293 -0.00136 0.00047 -0.00205 -0.00025 113 4YY -0.00112 0.00130 -0.00007 0.00093 0.00004 114 4ZZ -0.00104 -0.00190 -0.00048 -0.00023 0.00002 115 4XY -0.00142 0.00243 0.00020 0.00165 0.00033 116 4XZ 0.00442 -0.00321 0.00073 -0.00197 -0.00031 117 4YZ -0.00285 0.00372 -0.00009 0.00144 0.00019 118 14 C 1S -0.00371 -0.00522 -0.00388 -0.00102 -0.00088 119 2S -0.00012 0.00885 0.00114 0.00612 0.00152 120 2PX -0.02680 -0.01253 0.00130 0.00399 0.00360 121 2PY -0.01249 0.01094 -0.00159 -0.00073 0.00099 122 2PZ -0.03183 -0.02535 0.00027 -0.01375 0.00137 123 3S 0.00325 0.00164 0.00059 -0.00178 0.00045 124 3PX -0.01674 -0.00539 0.00374 -0.00144 0.00116 125 3PY -0.00368 0.00850 0.00422 -0.00399 0.00033 126 3PZ -0.02075 -0.01175 -0.00167 0.00002 0.00153 127 4XX 0.00060 -0.00304 -0.00101 -0.00296 0.00018 128 4YY 0.00008 0.00113 0.00117 0.00074 -0.00009 129 4ZZ -0.00093 0.00222 -0.00014 0.00149 -0.00012 130 4XY 0.00273 -0.00126 -0.00186 0.00033 0.00014 131 4XZ 0.00185 -0.00220 -0.00025 -0.00119 -0.00006 132 4YZ 0.00094 -0.00259 -0.00046 -0.00350 -0.00004 133 15 C 1S 0.00069 -0.00062 -0.00193 0.00238 0.00020 134 2S -0.00457 0.00229 0.00310 -0.00537 -0.00027 135 2PX -0.01399 0.00442 -0.00482 0.00157 -0.00078 136 2PY 0.00857 -0.00179 -0.00082 0.00383 0.00000 137 2PZ -0.00471 0.00082 -0.00838 0.01735 -0.00057 138 3S -0.00443 -0.00564 0.01143 -0.01310 -0.00132 139 3PX -0.00569 0.00246 -0.00230 0.00385 -0.00083 140 3PY 0.00604 -0.00383 0.00252 0.00153 -0.00031 141 3PZ -0.00252 0.00271 -0.00462 0.01044 -0.00051 142 4XX -0.00130 -0.00026 -0.00012 -0.00009 0.00015 143 4YY 0.00049 -0.00024 -0.00010 0.00022 -0.00002 144 4ZZ 0.00076 0.00086 0.00005 0.00045 -0.00007 145 4XY 0.00035 0.00049 -0.00044 0.00083 -0.00004 146 4XZ -0.00023 -0.00057 -0.00023 -0.00025 0.00003 147 4YZ 0.00044 0.00051 -0.00055 0.00027 -0.00008 148 16 C 1S -0.00218 -0.00017 -0.00066 -0.00121 -0.00005 149 2S 0.00447 -0.00121 -0.00005 0.00342 -0.00002 150 2PX -0.00184 0.00786 -0.00997 0.01491 -0.00056 151 2PY -0.00360 0.00195 -0.00015 0.00226 0.00033 152 2PZ -0.00386 0.01071 -0.00872 0.01193 -0.00131 153 3S -0.00372 0.00579 -0.00731 0.00774 0.00138 154 3PX -0.00197 0.00439 -0.00706 0.00703 -0.00037 155 3PY 0.00023 -0.00203 0.00435 -0.00018 -0.00023 156 3PZ 0.00212 0.00706 -0.00608 0.00885 -0.00126 157 4XX -0.00084 0.00015 -0.00048 -0.00004 0.00007 158 4YY 0.00011 0.00016 0.00025 -0.00006 -0.00001 159 4ZZ 0.00037 -0.00060 0.00024 -0.00030 -0.00007 160 4XY 0.00067 -0.00013 0.00014 0.00010 0.00004 161 4XZ -0.00030 0.00055 -0.00014 0.00019 0.00007 162 4YZ 0.00006 -0.00011 0.00034 -0.00082 0.00001 163 17 C 1S -0.00022 0.00341 0.00030 0.00217 0.00040 164 2S -0.00031 -0.00941 -0.00189 -0.00671 -0.00055 165 2PX -0.01433 -0.00069 -0.01152 -0.00639 0.00023 166 2PY 0.00282 0.01262 0.00821 0.00386 0.00048 167 2PZ -0.00300 0.01882 -0.00303 0.01383 0.00140 168 3S 0.00526 -0.00968 0.00125 0.00081 -0.00164 169 3PX -0.00541 -0.00099 -0.00135 0.00038 -0.00014 170 3PY -0.00367 0.00209 -0.00127 -0.00238 0.00108 171 3PZ -0.00125 0.00983 -0.00394 0.00521 0.00098 172 4XX -0.00146 0.00108 -0.00051 0.00027 0.00029 173 4YY 0.00080 -0.00014 0.00093 0.00007 -0.00011 174 4ZZ 0.00052 -0.00120 -0.00055 -0.00010 -0.00012 175 4XY 0.00092 -0.00134 0.00002 -0.00020 -0.00008 176 4XZ -0.00056 0.00182 0.00026 0.00063 0.00011 177 4YZ 0.00228 -0.00312 0.00120 -0.00200 -0.00033 178 18 H 1S 0.00848 -0.01954 -0.00611 -0.00674 0.00074 179 2S 0.01079 -0.01494 -0.00418 -0.00641 0.00049 180 19 H 1S -0.02325 0.01705 -0.00468 0.00976 0.00033 181 2S -0.02170 0.00906 -0.00254 0.00713 -0.00076 182 20 H 1S 0.00006 0.00064 0.00098 0.00285 0.00013 183 2S 0.00211 0.00180 -0.00112 0.00736 0.00030 184 21 H 1S -0.00134 -0.00040 0.00146 -0.00242 -0.00021 185 2S -0.00305 -0.00268 0.00138 -0.00654 -0.00043 186 22 O 1S -0.00056 -0.00044 -0.00039 -0.00027 -0.00002 187 2S 0.00135 0.00154 0.00156 0.00028 0.00003 188 2PX 0.00139 -0.01369 -0.00280 -0.00344 -0.00122 189 2PY -0.00251 -0.01065 -0.00890 -0.00242 0.00002 190 2PZ 0.02649 -0.03503 0.01186 -0.02332 -0.00285 191 3S 0.00031 0.00215 -0.00086 0.00244 -0.00035 192 3PX 0.00260 -0.00986 -0.00109 -0.00225 -0.00099 193 3PY -0.00022 -0.00745 -0.00427 -0.00203 0.00003 194 3PZ 0.02025 -0.02846 0.00946 -0.01842 -0.00240 195 4XX -0.00011 0.00007 -0.00006 0.00009 0.00005 196 4YY 0.00005 0.00045 0.00046 -0.00016 0.00001 197 4ZZ 0.00032 -0.00047 0.00004 -0.00024 -0.00001 198 4XY 0.00029 0.00053 0.00043 0.00035 0.00005 199 4XZ 0.00016 0.00010 0.00011 0.00007 -0.00001 200 4YZ -0.00102 0.00087 -0.00046 0.00054 0.00009 201 23 O 1S 0.00539 0.00134 -0.00306 0.00104 0.00007 202 2S -0.00709 -0.00499 0.00752 -0.00132 -0.00037 203 2PX -0.04732 0.01494 0.03252 0.00074 0.00005 204 2PY 0.02927 -0.00199 -0.00191 0.00436 -0.00061 205 2PZ -0.02953 0.01997 0.00175 0.03813 0.00192 206 3S -0.01885 0.00055 0.01197 -0.00682 0.00007 207 3PX -0.02998 0.01243 0.02331 0.00021 -0.00036 208 3PY 0.01540 0.00010 -0.00053 0.00135 -0.00019 209 3PZ -0.01711 0.01810 0.00200 0.02829 0.00103 210 4XX 0.00005 -0.00072 -0.00032 -0.00020 -0.00001 211 4YY 0.00212 -0.00011 -0.00023 0.00056 -0.00003 212 4ZZ -0.00032 0.00015 -0.00021 0.00066 -0.00002 213 4XY -0.00253 0.00031 0.00138 0.00019 0.00010 214 4XZ -0.00014 -0.00026 0.00009 0.00002 0.00000 215 4YZ -0.00207 0.00007 0.00019 0.00113 0.00012 11 12 13 14 15 11 4YY 0.00174 12 4ZZ -0.00043 0.00111 13 4XY 0.00010 -0.00025 0.00062 14 4XZ 0.00020 0.00008 -0.00005 0.00068 15 4YZ -0.00029 0.00027 -0.00046 0.00010 0.00095 16 2 C 1S 0.00285 -0.00003 -0.00282 0.00455 0.00200 17 2S -0.00619 -0.00054 0.00566 -0.00869 -0.00420 18 2PX 0.00444 -0.00132 -0.00467 0.00687 0.00690 19 2PY 0.00939 -0.00022 0.00687 0.00404 -0.00524 20 2PZ -0.00538 -0.01107 0.00707 0.00017 -0.00128 21 3S -0.01008 0.00325 0.00258 -0.00620 -0.00069 22 3PX 0.00163 -0.00357 -0.00020 0.00256 0.00192 23 3PY 0.00248 0.00104 0.00116 0.00177 -0.00013 24 3PZ -0.00298 -0.00530 0.00205 0.00192 0.00094 25 4XX -0.00024 0.00017 -0.00034 -0.00002 0.00014 26 4YY 0.00074 -0.00004 0.00016 0.00023 -0.00032 27 4ZZ 0.00006 -0.00016 -0.00024 0.00013 0.00049 28 4XY -0.00006 -0.00039 0.00034 0.00012 -0.00033 29 4XZ 0.00028 0.00018 0.00006 0.00044 -0.00027 30 4YZ -0.00020 0.00017 -0.00026 0.00012 0.00039 31 3 C 1S -0.00137 0.00033 -0.00168 -0.00002 0.00158 32 2S 0.00342 -0.00019 0.00324 -0.00005 -0.00346 33 2PX -0.00372 -0.00349 0.00009 0.00359 0.00332 34 2PY -0.00662 0.00092 -0.00814 0.00046 0.00660 35 2PZ -0.00094 -0.00422 0.00180 0.00303 0.00060 36 3S 0.00368 -0.00294 0.00464 0.00054 -0.00576 37 3PX -0.00113 -0.00131 -0.00054 0.00290 0.00202 38 3PY -0.00399 0.00157 -0.00302 -0.00038 0.00296 39 3PZ -0.00248 -0.00314 0.00117 0.00182 0.00036 40 4XX 0.00008 -0.00003 -0.00033 0.00007 0.00013 41 4YY -0.00041 0.00007 0.00031 -0.00034 -0.00016 42 4ZZ 0.00003 -0.00005 -0.00021 0.00013 0.00031 43 4XY -0.00004 0.00000 0.00008 -0.00020 -0.00013 44 4XZ -0.00023 0.00018 0.00010 0.00001 -0.00012 45 4YZ 0.00012 0.00047 -0.00016 -0.00007 -0.00009 46 4 C 1S -0.00299 0.00080 0.00042 -0.00034 -0.00007 47 2S 0.00643 -0.00256 -0.00108 0.00056 -0.00038 48 2PX -0.00321 0.00277 0.00037 0.00009 0.00110 49 2PY -0.01255 0.00549 0.00100 -0.00165 0.00053 50 2PZ 0.00349 -0.00251 0.00120 0.00117 0.00121 51 3S 0.00857 -0.00106 -0.00206 0.00103 -0.00086 52 3PX -0.00228 0.00255 -0.00104 0.00030 0.00154 53 3PY -0.00519 0.00078 0.00058 -0.00020 0.00086 54 3PZ 0.00160 -0.00101 0.00110 0.00052 -0.00060 55 4XX -0.00038 -0.00012 0.00002 0.00019 -0.00005 56 4YY -0.00010 0.00001 0.00001 -0.00022 0.00033 57 4ZZ 0.00001 0.00033 0.00006 0.00001 -0.00016 58 4XY -0.00001 -0.00006 -0.00038 -0.00007 0.00017 59 4XZ -0.00022 0.00001 0.00007 0.00031 0.00011 60 4YZ -0.00033 0.00016 0.00017 -0.00011 -0.00036 61 5 H 1S 0.01352 -0.00743 0.00359 0.00054 -0.00746 62 2S 0.01161 -0.00495 0.00315 0.00096 -0.00642 63 6 H 1S -0.00235 0.00349 -0.00496 -0.00238 0.00423 64 2S -0.00069 0.00325 -0.00590 -0.00011 0.00553 65 7 H 1S -0.00184 -0.00045 -0.00181 0.00009 0.00180 66 2S -0.00218 -0.00148 -0.00159 -0.00035 0.00196 67 8 H 1S -0.00369 0.00170 0.00058 -0.00092 0.00042 68 2S -0.00398 0.00255 0.00069 -0.00156 0.00061 69 9 C 1S -0.00265 -0.00113 0.00236 0.00125 -0.00514 70 2S 0.00463 0.00172 -0.00467 -0.00242 0.00961 71 2PX 0.00327 0.00244 0.00428 0.00654 0.00465 72 2PY 0.00682 -0.00305 0.00320 0.00182 -0.00847 73 2PZ -0.00833 0.01001 0.00474 0.00062 -0.00352 74 3S 0.00116 0.00223 -0.00649 -0.00161 0.01206 75 3PX 0.00081 0.00101 0.00250 0.00317 0.00239 76 3PY 0.00284 -0.00211 0.00205 0.00034 -0.00439 77 3PZ -0.00182 0.00499 0.00260 -0.00109 -0.00266 78 4XX -0.00051 0.00016 0.00010 -0.00025 -0.00014 79 4YY 0.00060 -0.00049 0.00005 0.00009 -0.00016 80 4ZZ -0.00019 0.00036 0.00011 0.00009 -0.00008 81 4XY 0.00025 0.00016 -0.00008 0.00017 -0.00015 82 4XZ -0.00007 0.00065 0.00010 0.00052 0.00009 83 4YZ -0.00048 0.00015 -0.00008 -0.00019 0.00029 84 10 H 1S -0.00263 0.00063 -0.00275 -0.00505 0.00003 85 2S -0.00351 -0.00087 -0.00026 -0.00360 -0.00169 86 11 H 1S -0.00181 0.00740 0.00218 0.00249 0.00300 87 2S -0.00312 0.00601 0.00230 0.00373 0.00017 88 12 C 1S 0.00000 0.00029 0.00031 -0.00050 0.00040 89 2S -0.00032 -0.00014 -0.00029 0.00081 -0.00049 90 2PX -0.00179 -0.00093 -0.00060 0.00515 -0.00108 91 2PY -0.00057 0.00060 0.00101 0.00091 0.00134 92 2PZ -0.00177 0.00025 -0.00046 0.00443 -0.00110 93 3S -0.00018 -0.00080 0.00040 0.00209 -0.00129 94 3PX -0.00131 -0.00021 -0.00032 0.00373 -0.00051 95 3PY -0.00144 0.00016 0.00032 0.00107 0.00082 96 3PZ -0.00149 -0.00033 -0.00002 0.00348 -0.00073 97 4XX 0.00010 0.00007 0.00003 -0.00016 0.00000 98 4YY -0.00011 0.00001 0.00000 0.00006 -0.00002 99 4ZZ 0.00006 -0.00013 0.00001 0.00002 0.00005 100 4XY 0.00012 -0.00016 0.00004 -0.00021 0.00001 101 4XZ 0.00013 -0.00008 -0.00007 -0.00005 -0.00004 102 4YZ 0.00012 0.00001 0.00007 -0.00014 0.00002 103 13 C 1S 0.00043 -0.00073 0.00010 -0.00116 -0.00010 104 2S -0.00208 0.00042 -0.00034 0.00307 -0.00021 105 2PX -0.00353 0.00380 -0.00145 0.00573 -0.00087 106 2PY 0.00136 -0.00071 -0.00104 -0.00240 -0.00149 107 2PZ -0.00324 0.00031 -0.00123 0.00370 -0.00138 108 3S -0.00466 0.00026 -0.00070 0.00475 0.00120 109 3PX -0.00315 0.00258 -0.00052 0.00385 -0.00098 110 3PY 0.00057 0.00013 -0.00067 -0.00166 -0.00003 111 3PZ -0.00280 0.00123 -0.00123 0.00339 -0.00022 112 4XX 0.00007 0.00008 0.00005 -0.00027 -0.00006 113 4YY 0.00007 -0.00005 0.00002 0.00000 -0.00006 114 4ZZ 0.00002 0.00004 -0.00005 0.00009 0.00012 115 4XY -0.00009 -0.00013 -0.00001 0.00015 0.00003 116 4XZ 0.00011 0.00001 -0.00011 -0.00016 -0.00005 117 4YZ -0.00011 0.00006 -0.00003 0.00021 0.00004 118 14 C 1S 0.00007 0.00015 -0.00026 0.00012 -0.00007 119 2S -0.00044 -0.00077 0.00060 -0.00001 0.00033 120 2PX -0.00203 -0.00124 0.00059 0.00175 0.00066 121 2PY 0.00009 -0.00036 0.00055 -0.00019 0.00006 122 2PZ -0.00126 0.00121 -0.00007 0.00173 0.00002 123 3S 0.00066 -0.00046 0.00067 -0.00073 -0.00040 124 3PX -0.00048 -0.00012 0.00026 0.00058 0.00008 125 3PY -0.00030 0.00013 0.00047 -0.00073 -0.00050 126 3PZ -0.00089 0.00001 0.00005 0.00108 0.00038 127 4XX -0.00015 0.00010 -0.00005 0.00031 -0.00005 128 4YY 0.00005 -0.00006 -0.00002 -0.00012 -0.00004 129 4ZZ 0.00009 0.00001 0.00004 -0.00011 0.00005 130 4XY -0.00008 -0.00002 -0.00007 0.00014 -0.00004 131 4XZ 0.00002 0.00000 -0.00007 -0.00001 -0.00005 132 4YZ -0.00008 0.00019 -0.00007 0.00012 -0.00005 133 15 C 1S -0.00003 -0.00012 -0.00007 -0.00001 -0.00007 134 2S 0.00013 0.00044 0.00018 0.00017 -0.00004 135 2PX 0.00054 0.00095 0.00054 -0.00030 0.00000 136 2PY -0.00003 -0.00040 -0.00011 0.00014 -0.00002 137 2PZ 0.00036 -0.00011 0.00047 -0.00020 0.00023 138 3S 0.00003 0.00102 -0.00021 0.00001 0.00040 139 3PX 0.00039 0.00054 0.00020 -0.00025 0.00019 140 3PY 0.00001 -0.00036 -0.00009 -0.00028 0.00028 141 3PZ 0.00028 0.00007 0.00034 -0.00036 0.00009 142 4XX -0.00009 -0.00002 0.00001 0.00006 0.00001 143 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 144 4ZZ 0.00006 -0.00004 0.00001 -0.00007 -0.00001 145 4XY 0.00004 -0.00003 0.00001 -0.00001 0.00000 146 4XZ -0.00004 0.00002 -0.00003 0.00003 -0.00001 147 4YZ 0.00006 0.00004 0.00002 -0.00004 -0.00002 148 16 C 1S -0.00004 0.00010 0.00002 -0.00021 -0.00002 149 2S 0.00005 -0.00009 0.00001 0.00051 0.00007 150 2PX 0.00072 0.00008 0.00046 0.00013 0.00001 151 2PY -0.00004 -0.00011 0.00005 0.00003 0.00005 152 2PZ 0.00096 0.00032 0.00063 -0.00088 -0.00005 153 3S 0.00021 -0.00043 -0.00015 0.00110 -0.00039 154 3PX 0.00070 0.00002 0.00024 -0.00006 -0.00011 155 3PY -0.00006 0.00004 -0.00007 0.00002 0.00018 156 3PZ 0.00078 0.00026 0.00038 -0.00067 -0.00005 157 4XX -0.00003 0.00001 0.00001 0.00004 0.00000 158 4YY 0.00000 0.00000 0.00001 0.00003 0.00000 159 4ZZ 0.00001 0.00002 0.00000 -0.00005 0.00001 160 4XY -0.00002 -0.00004 -0.00001 0.00004 0.00000 161 4XZ -0.00002 -0.00003 -0.00001 0.00001 -0.00002 162 4YZ -0.00001 0.00001 -0.00001 -0.00002 -0.00001 163 17 C 1S 0.00013 -0.00010 -0.00015 0.00006 -0.00015 164 2S -0.00020 0.00055 0.00031 0.00012 0.00034 165 2PX -0.00020 0.00088 0.00052 0.00022 0.00016 166 2PY -0.00012 -0.00081 -0.00018 -0.00004 -0.00031 167 2PZ -0.00015 -0.00069 0.00016 0.00114 -0.00025 168 3S 0.00012 0.00103 0.00012 -0.00036 0.00045 169 3PX 0.00013 0.00038 0.00011 0.00019 0.00009 170 3PY -0.00005 -0.00044 -0.00010 0.00043 -0.00001 171 3PZ -0.00024 -0.00058 0.00034 0.00036 -0.00004 172 4XX -0.00012 -0.00001 -0.00002 0.00025 -0.00001 173 4YY 0.00003 -0.00002 -0.00005 -0.00009 -0.00001 174 4ZZ 0.00007 0.00002 0.00001 -0.00011 0.00003 175 4XY 0.00005 0.00000 0.00000 -0.00007 0.00002 176 4XZ -0.00002 -0.00005 -0.00002 0.00005 -0.00005 177 4YZ 0.00006 0.00008 0.00001 -0.00028 0.00006 178 18 H 1S -0.00014 -0.00037 0.00019 0.00003 0.00042 179 2S -0.00004 -0.00034 0.00006 -0.00019 0.00040 180 19 H 1S -0.00073 0.00131 0.00029 0.00186 0.00093 181 2S 0.00007 0.00150 -0.00016 0.00083 0.00113 182 20 H 1S -0.00004 -0.00028 0.00003 0.00004 0.00009 183 2S 0.00003 -0.00060 0.00005 -0.00008 0.00011 184 21 H 1S 0.00005 0.00015 0.00003 -0.00023 0.00002 185 2S 0.00007 0.00040 0.00009 -0.00049 0.00000 186 22 O 1S -0.00008 0.00005 0.00004 0.00004 0.00003 187 2S 0.00014 -0.00020 -0.00013 -0.00013 -0.00004 188 2PX 0.00077 0.00024 -0.00011 -0.00114 0.00006 189 2PY 0.00020 0.00053 0.00006 0.00003 0.00023 190 2PZ 0.00018 0.00081 0.00005 -0.00225 0.00063 191 3S 0.00024 0.00001 0.00004 -0.00031 -0.00021 192 3PX 0.00060 0.00010 -0.00012 -0.00094 0.00002 193 3PY 0.00008 0.00029 -0.00002 0.00000 0.00021 194 3PZ 0.00020 0.00076 -0.00002 -0.00182 0.00048 195 4XX -0.00002 0.00000 -0.00001 0.00002 0.00001 196 4YY -0.00001 -0.00004 -0.00001 0.00001 0.00000 197 4ZZ 0.00001 0.00000 -0.00002 -0.00002 0.00002 198 4XY -0.00003 -0.00003 -0.00001 0.00005 -0.00001 199 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 200 4YZ -0.00001 -0.00002 -0.00001 0.00007 -0.00002 201 23 O 1S 0.00003 -0.00012 0.00010 0.00007 -0.00004 202 2S -0.00018 -0.00002 -0.00039 -0.00006 0.00017 203 2PX -0.00034 -0.00065 0.00083 -0.00132 0.00072 204 2PY 0.00012 -0.00006 -0.00026 -0.00033 -0.00019 205 2PZ 0.00005 -0.00159 0.00067 -0.00016 0.00068 206 3S -0.00084 0.00030 -0.00003 -0.00035 -0.00015 207 3PX -0.00009 -0.00040 0.00057 -0.00122 0.00044 208 3PY -0.00018 0.00008 -0.00008 -0.00024 -0.00016 209 3PZ 0.00027 -0.00122 0.00053 -0.00044 0.00041 210 4XX 0.00004 -0.00002 -0.00002 0.00004 0.00000 211 4YY 0.00001 -0.00001 -0.00003 -0.00002 0.00003 212 4ZZ 0.00004 -0.00002 -0.00002 0.00000 0.00003 213 4XY -0.00008 -0.00006 0.00005 -0.00001 0.00005 214 4XZ 0.00001 -0.00002 0.00000 0.00000 -0.00001 215 4YZ -0.00004 -0.00003 0.00003 0.00004 0.00003 16 17 18 19 20 16 2 C 1S 2.05350 17 2S -0.06403 0.33137 18 2PX -0.00214 -0.00416 0.37396 19 2PY 0.00016 0.00369 -0.00817 0.41906 20 2PZ -0.00062 0.00592 -0.04446 0.00045 0.37852 21 3S -0.16656 0.25600 0.04393 -0.01077 -0.02271 22 3PX -0.00541 0.02252 0.15182 -0.00258 0.05816 23 3PY 0.00323 -0.01831 0.00384 0.13604 -0.02126 24 3PZ 0.00294 -0.01327 0.05147 -0.01065 0.18504 25 4XX -0.01548 -0.00686 -0.00773 -0.00925 -0.00378 26 4YY -0.01744 -0.00235 0.00622 0.01282 -0.00470 27 4ZZ -0.01464 -0.00826 0.00499 -0.00785 0.00346 28 4XY 0.00183 -0.00345 -0.00612 0.00265 0.01195 29 4XZ 0.00454 -0.00957 -0.00063 0.01006 -0.00095 30 4YZ -0.00208 0.00382 0.01126 -0.00419 -0.00439 31 3 C 1S 0.01690 -0.03343 -0.00499 -0.07810 -0.00017 32 2S -0.03343 0.05785 0.01193 0.16130 -0.00810 33 2PX -0.00499 0.01193 0.10558 0.01751 0.09829 34 2PY 0.07810 -0.16130 -0.01751 -0.31806 0.01666 35 2PZ -0.00017 -0.00810 0.09829 -0.01666 0.13422 36 3S -0.00183 0.03542 0.00458 0.11755 0.06612 37 3PX -0.00117 -0.00667 0.07477 0.02476 0.03432 38 3PY 0.01159 -0.04016 -0.00660 -0.09531 -0.00410 39 3PZ -0.00185 0.00501 0.05778 -0.02657 0.10938 40 4XX 0.00281 -0.00636 -0.00053 -0.00996 -0.00098 41 4YY -0.00697 0.01254 -0.00248 0.00645 0.00115 42 4ZZ 0.00264 -0.00615 0.00111 -0.00860 -0.00050 43 4XY 0.00023 0.00003 -0.01308 0.00141 -0.00028 44 4XZ -0.00085 0.00218 0.00024 0.00341 -0.00030 45 4YZ -0.00014 0.00014 0.00005 0.00030 -0.01363 46 4 C 1S -0.00481 0.01159 -0.00660 0.01019 0.00881 47 2S 0.01206 -0.02776 0.01693 -0.03248 -0.01684 48 2PX 0.00706 -0.02539 -0.00238 -0.03181 -0.01121 49 2PY -0.01466 0.03290 -0.01893 0.02053 0.01383 50 2PZ -0.00217 0.00853 0.00602 0.02544 -0.00561 51 3S 0.01071 -0.03497 0.04385 0.00130 -0.09318 52 3PX 0.00449 -0.01699 -0.00150 -0.01818 -0.03877 53 3PY -0.00304 0.01205 0.00833 -0.02630 0.04483 54 3PZ -0.00116 0.00372 -0.00614 0.02220 -0.00822 55 4XX 0.00006 -0.00024 0.00646 -0.00128 0.00796 56 4YY -0.00137 0.00342 -0.00372 0.00662 -0.00094 57 4ZZ 0.00033 -0.00019 -0.00349 -0.00092 -0.00422 58 4XY 0.00168 -0.00324 -0.00009 -0.00814 -0.00180 59 4XZ -0.00002 -0.00005 0.00359 -0.00046 0.00303 60 4YZ -0.00158 0.00346 -0.00332 0.00660 -0.00060 61 5 H 1S 0.01219 -0.02477 0.02916 0.03156 -0.01805 62 2S 0.01116 -0.01992 0.03480 0.05770 -0.02617 63 6 H 1S -0.06256 0.11660 0.15490 -0.15405 -0.15067 64 2S -0.01360 0.02417 0.13610 -0.13143 -0.13517 65 7 H 1S 0.01288 -0.02651 -0.01715 -0.04449 0.01074 66 2S 0.01472 -0.02540 -0.03286 -0.08019 0.03468 67 8 H 1S -0.00894 0.02001 -0.01118 0.03151 -0.00509 68 2S -0.01189 0.02558 -0.03472 0.05913 -0.02090 69 9 C 1S -0.00478 0.00984 -0.00634 0.00742 0.01093 70 2S 0.01044 -0.02368 0.01066 -0.01219 -0.03541 71 2PX 0.01014 -0.02595 0.00051 -0.00410 -0.03392 72 2PY -0.00122 0.00984 -0.03563 -0.02201 0.00423 73 2PZ -0.01389 0.03186 -0.03726 0.01763 0.00608 74 3S 0.02050 -0.04110 0.04923 -0.08734 -0.01933 75 3PX 0.00620 -0.01160 0.00654 -0.00655 0.00112 76 3PY -0.00288 0.01050 -0.03783 -0.01118 0.01734 77 3PZ -0.01041 0.02207 -0.05816 0.03821 -0.03226 78 4XX -0.00145 0.00325 -0.00042 0.00008 0.00680 79 4YY 0.00095 -0.00197 0.00359 0.00075 -0.00255 80 4ZZ -0.00023 0.00060 -0.00690 -0.00106 -0.00257 81 4XY 0.00115 -0.00249 0.00036 0.00076 -0.00700 82 4XZ 0.00133 -0.00299 0.00194 0.00077 -0.00832 83 4YZ -0.00069 0.00116 -0.00407 0.00063 -0.00039 84 10 H 1S -0.00834 0.01995 -0.00743 -0.00452 0.03274 85 2S -0.01086 0.02642 -0.00307 -0.00239 0.07087 86 11 H 1S 0.00105 -0.00345 -0.02090 0.00265 -0.03262 87 2S 0.00012 -0.00154 -0.00979 0.00281 -0.01650 88 12 C 1S -0.00065 0.00087 -0.00838 0.00159 -0.00802 89 2S 0.00016 -0.00050 0.01597 -0.00077 0.01638 90 2PX 0.00211 -0.00557 0.06593 -0.00743 0.06825 91 2PY -0.00050 -0.00086 0.00322 0.00036 0.00707 92 2PZ 0.00103 -0.00422 0.04620 -0.00371 0.04569 93 3S 0.00336 -0.00405 0.03427 -0.01498 0.04233 94 3PX -0.00044 -0.00586 0.05450 -0.00408 0.04383 95 3PY 0.00045 0.00025 0.01170 -0.00192 0.01988 96 3PZ 0.00299 -0.00258 0.04042 -0.00937 0.05284 97 4XX -0.00022 0.00033 -0.00326 0.00019 -0.00309 98 4YY -0.00016 0.00019 0.00046 0.00032 0.00073 99 4ZZ -0.00023 0.00020 0.00164 -0.00009 0.00199 100 4XY -0.00007 0.00075 -0.00012 -0.00047 0.00089 101 4XZ 0.00017 -0.00020 -0.00011 -0.00043 -0.00065 102 4YZ -0.00003 0.00020 -0.00041 0.00021 -0.00002 103 13 C 1S -0.00144 0.00344 -0.00841 -0.00051 -0.00666 104 2S 0.00204 -0.00522 0.01939 0.00238 0.01539 105 2PX 0.00497 -0.02040 0.01890 0.00523 -0.00176 106 2PY -0.00109 0.00484 -0.01022 -0.00224 -0.00986 107 2PZ -0.00045 0.00009 -0.00010 -0.00198 -0.00745 108 3S 0.00163 -0.01160 0.04472 -0.00485 0.04558 109 3PX 0.00867 -0.00980 0.00131 0.00309 0.00315 110 3PY 0.00117 0.00306 -0.01358 0.00279 -0.01752 111 3PZ -0.00058 -0.00749 0.01575 -0.00400 -0.00987 112 4XX -0.00091 0.00150 -0.00554 -0.00034 -0.00389 113 4YY -0.00016 0.00012 0.00147 0.00009 0.00121 114 4ZZ 0.00017 -0.00108 0.00185 0.00068 -0.00023 115 4XY -0.00022 0.00042 0.00297 -0.00030 0.00375 116 4XZ 0.00032 -0.00035 -0.00325 -0.00003 -0.00363 117 4YZ 0.00031 -0.00050 0.00325 -0.00017 0.00374 118 14 C 1S 0.00036 -0.00277 0.00023 0.00030 -0.00175 119 2S -0.00219 0.00558 -0.00009 -0.00341 0.00790 120 2PX -0.00195 0.00563 0.00830 -0.00271 0.01455 121 2PY -0.00124 0.00377 -0.00125 -0.00122 0.00408 122 2PZ 0.00113 -0.00609 0.00477 0.00076 -0.00121 123 3S 0.00498 0.00632 -0.01329 0.00835 -0.01097 124 3PX 0.00131 0.00279 0.00193 0.00608 0.00278 125 3PY 0.00061 0.00702 -0.01779 -0.00295 0.00014 126 3PZ -0.00138 -0.00232 0.01256 -0.00112 0.00714 127 4XX 0.00024 -0.00090 0.00132 0.00028 0.00047 128 4YY -0.00013 0.00042 -0.00088 -0.00056 0.00018 129 4ZZ -0.00012 0.00004 -0.00046 -0.00033 0.00021 130 4XY 0.00013 0.00005 0.00062 0.00013 0.00019 131 4XZ -0.00007 -0.00021 -0.00007 0.00026 -0.00106 132 4YZ 0.00020 -0.00080 0.00039 0.00029 -0.00109 133 15 C 1S -0.00022 0.00087 0.00002 -0.00019 0.00072 134 2S 0.00090 -0.00200 0.00026 0.00009 -0.00099 135 2PX 0.00081 -0.00221 -0.00952 0.00058 -0.01146 136 2PY 0.00000 0.00118 0.00132 0.00045 0.00056 137 2PZ -0.00028 0.00166 -0.01028 0.00058 -0.01195 138 3S -0.00077 -0.00601 0.00516 0.00424 -0.00737 139 3PX -0.00039 -0.00175 -0.00501 0.00098 -0.00791 140 3PY -0.00196 0.00013 0.00208 -0.00049 -0.00343 141 3PZ 0.00037 0.00155 -0.01054 -0.00087 -0.01019 142 4XX -0.00005 0.00016 0.00047 -0.00028 0.00085 143 4YY 0.00008 -0.00018 0.00025 0.00007 -0.00002 144 4ZZ 0.00001 0.00016 -0.00037 0.00001 -0.00015 145 4XY 0.00001 0.00003 -0.00005 -0.00006 -0.00010 146 4XZ 0.00006 -0.00011 0.00031 0.00005 0.00029 147 4YZ 0.00005 -0.00006 -0.00056 0.00019 -0.00072 148 16 C 1S -0.00025 0.00052 -0.00182 0.00013 -0.00096 149 2S 0.00070 -0.00164 0.00454 -0.00032 0.00135 150 2PX 0.00081 -0.00162 -0.00206 -0.00050 -0.00340 151 2PY -0.00019 -0.00009 0.00179 -0.00125 0.00290 152 2PZ 0.00022 0.00102 -0.01389 0.00098 -0.01363 153 3S 0.00235 -0.00036 0.00960 -0.00022 0.01315 154 3PX 0.00101 -0.00104 -0.00379 -0.00009 -0.00444 155 3PY -0.00113 -0.00120 0.00431 0.00097 -0.00213 156 3PZ 0.00030 -0.00025 -0.01109 -0.00002 -0.01198 157 4XX 0.00003 -0.00007 0.00049 -0.00018 0.00068 158 4YY 0.00009 -0.00008 0.00028 0.00001 0.00006 159 4ZZ -0.00002 0.00004 -0.00080 0.00013 -0.00097 160 4XY -0.00001 0.00002 0.00065 -0.00003 0.00071 161 4XZ -0.00004 0.00012 0.00058 -0.00011 0.00103 162 4YZ 0.00004 -0.00005 0.00012 -0.00010 0.00028 163 17 C 1S 0.00004 0.00026 0.00269 -0.00121 0.00343 164 2S 0.00053 -0.00175 -0.00613 0.00087 -0.00788 165 2PX 0.00015 -0.00039 -0.00113 0.00084 0.00176 166 2PY 0.00020 0.00138 0.00794 -0.00209 0.00975 167 2PZ 0.00065 -0.00071 0.02108 -0.00366 0.02453 168 3S -0.00349 -0.00006 -0.00855 0.01234 -0.02246 169 3PX -0.00179 0.00035 0.00460 0.00713 -0.00268 170 3PY 0.00058 0.00033 0.00696 -0.00052 0.01115 171 3PZ 0.00012 0.00175 0.01033 -0.00329 0.01953 172 4XX 0.00003 -0.00025 0.00324 -0.00021 0.00344 173 4YY 0.00005 -0.00009 -0.00076 -0.00022 -0.00129 174 4ZZ 0.00010 -0.00013 -0.00170 -0.00018 -0.00161 175 4XY 0.00006 -0.00002 -0.00108 -0.00005 -0.00124 176 4XZ -0.00006 0.00020 0.00106 -0.00002 0.00158 177 4YZ -0.00005 0.00017 -0.00370 0.00037 -0.00414 178 18 H 1S 0.00016 0.00034 0.00324 -0.00188 0.00629 179 2S 0.00039 0.00086 -0.00562 -0.00394 -0.00037 180 19 H 1S 0.00212 -0.00922 0.02167 0.00236 0.01494 181 2S 0.00231 -0.00892 0.01856 -0.00046 -0.00587 182 20 H 1S -0.00042 0.00085 0.00067 -0.00069 0.00119 183 2S -0.00134 0.00231 0.00091 -0.00085 0.00263 184 21 H 1S 0.00007 0.00008 -0.00307 0.00006 -0.00332 185 2S 0.00002 0.00041 -0.00818 0.00090 -0.00690 186 22 O 1S -0.00015 -0.00007 0.00008 0.00050 0.00015 187 2S 0.00032 0.00015 0.00053 -0.00098 -0.00003 188 2PX 0.00116 -0.00085 -0.01550 -0.00195 -0.02024 189 2PY -0.00010 -0.00069 -0.00393 0.00079 -0.00420 190 2PZ -0.00008 0.00039 -0.03223 0.00180 -0.03703 191 3S 0.00085 -0.00005 -0.00350 -0.00380 -0.00274 192 3PX 0.00117 -0.00083 -0.01302 -0.00284 -0.01570 193 3PY -0.00030 -0.00027 -0.00198 0.00171 -0.00298 194 3PZ 0.00001 0.00001 -0.02741 0.00203 -0.03252 195 4XX -0.00006 0.00003 0.00046 0.00016 0.00044 196 4YY 0.00002 0.00000 0.00028 -0.00005 0.00028 197 4ZZ -0.00002 -0.00003 -0.00017 0.00011 -0.00033 198 4XY -0.00011 0.00010 0.00077 0.00024 0.00076 199 4XZ -0.00001 0.00007 -0.00013 0.00009 -0.00005 200 4YZ -0.00002 0.00002 0.00080 0.00001 0.00096 201 23 O 1S 0.00025 -0.00009 0.00096 0.00059 -0.00014 202 2S -0.00036 -0.00045 -0.00029 -0.00085 -0.00063 203 2PX -0.00187 0.00492 -0.00924 -0.00537 0.00530 204 2PY 0.00039 0.00046 -0.00241 0.00010 -0.00460 205 2PZ -0.00267 0.00633 0.00320 -0.00470 0.01988 206 3S -0.00178 0.00483 -0.01348 -0.00582 0.00435 207 3PX -0.00156 0.00340 -0.00965 -0.00526 0.00245 208 3PY -0.00043 0.00165 -0.00430 -0.00155 -0.00115 209 3PZ -0.00179 0.00550 -0.00125 -0.00348 0.01286 210 4XX 0.00012 -0.00046 0.00085 0.00033 -0.00041 211 4YY -0.00004 -0.00012 0.00046 0.00008 -0.00040 212 4ZZ 0.00006 -0.00030 0.00084 0.00017 -0.00014 213 4XY -0.00018 0.00040 -0.00034 -0.00051 0.00073 214 4XZ -0.00001 -0.00001 -0.00005 0.00009 -0.00016 215 4YZ -0.00006 0.00015 0.00004 -0.00018 0.00069 21 22 23 24 25 21 3S 0.26432 22 3PX 0.01634 0.08668 23 3PY -0.00276 -0.00755 0.05455 24 3PZ -0.00397 0.05484 -0.01118 0.11049 25 4XX -0.00371 -0.00468 -0.00171 -0.00276 0.00095 26 4YY -0.00155 0.00134 0.00352 -0.00105 -0.00035 27 4ZZ -0.00579 0.00263 -0.00197 0.00273 0.00025 28 4XY -0.00471 -0.00015 0.00028 0.00461 0.00010 29 4XZ -0.00750 -0.00107 0.00322 -0.00012 -0.00008 30 4YZ 0.00806 0.00265 -0.00019 0.00079 0.00002 31 3 C 1S -0.00183 -0.00117 -0.01159 -0.00185 0.00281 32 2S 0.03542 -0.00667 0.04016 0.00501 -0.00636 33 2PX 0.00458 0.07477 0.00660 0.05778 -0.00053 34 2PY -0.11755 -0.02476 -0.09531 0.02657 0.00996 35 2PZ 0.06612 0.03432 0.00410 0.10938 -0.00098 36 3S -0.01445 0.01608 0.00991 0.03627 -0.00698 37 3PX 0.01608 0.03317 0.01626 0.03298 0.00024 38 3PY -0.00991 -0.01626 -0.02209 0.00699 0.00360 39 3PZ 0.03627 0.03298 -0.00699 0.07588 -0.00025 40 4XX -0.00698 0.00024 -0.00360 -0.00025 0.00029 41 4YY 0.01057 0.00034 0.00204 -0.00107 -0.00024 42 4ZZ -0.00447 -0.00033 -0.00209 -0.00002 0.00039 43 4XY -0.00465 -0.00492 -0.00033 -0.00341 0.00032 44 4XZ 0.00359 0.00062 0.00161 -0.00039 -0.00007 45 4YZ 0.00429 -0.00376 0.00169 -0.00641 0.00018 46 4 C 1S 0.00543 0.00288 0.00290 -0.00091 0.00029 47 2S -0.03023 0.00142 -0.01487 -0.00175 -0.00032 48 2PX 0.05690 -0.05259 0.00910 0.02061 0.00222 49 2PY 0.11051 -0.01439 0.03735 0.00538 0.00025 50 2PZ -0.00834 0.00605 0.01099 -0.02113 0.00216 51 3S -0.02762 0.00073 0.00414 -0.03717 -0.00086 52 3PX 0.03815 -0.03561 0.01171 -0.00684 0.00327 53 3PY 0.03542 0.01019 -0.00165 0.02569 -0.00008 54 3PZ 0.00418 -0.00835 0.01052 -0.01163 0.00124 55 4XX 0.00250 0.00306 -0.00066 0.00663 -0.00010 56 4YY 0.00368 -0.00113 0.00399 -0.00248 0.00008 57 4ZZ -0.00294 -0.00131 -0.00157 -0.00314 -0.00003 58 4XY -0.00464 0.00054 -0.00302 -0.00117 0.00033 59 4XZ 0.00054 0.00290 0.00038 0.00182 0.00007 60 4YZ 0.00576 -0.00202 0.00296 -0.00036 -0.00013 61 5 H 1S -0.06205 0.01870 0.00220 -0.01316 -0.00207 62 2S -0.05687 0.01982 0.00505 -0.01485 -0.00404 63 6 H 1S 0.12988 0.04110 -0.04419 -0.04701 -0.00006 64 2S 0.05903 0.02579 -0.02900 -0.03689 0.00166 65 7 H 1S -0.06040 0.00143 -0.02306 -0.00140 0.00153 66 2S -0.06446 0.00416 -0.03583 0.00459 0.00254 67 8 H 1S 0.05362 -0.00669 0.02769 -0.00887 -0.00010 68 2S 0.05628 -0.02228 0.03802 -0.02185 0.00044 69 9 C 1S 0.01703 -0.00336 0.00178 0.00862 -0.00079 70 2S -0.03537 0.00177 -0.00177 -0.02359 0.00154 71 2PX -0.05022 -0.00371 0.00923 -0.03111 0.00059 72 2PY -0.06258 0.00214 -0.04892 -0.01396 -0.00121 73 2PZ 0.06851 -0.02546 -0.00344 0.00485 -0.00382 74 3S -0.03875 0.01728 -0.02603 -0.00287 0.00251 75 3PX -0.01814 0.00141 0.00223 -0.00347 -0.00024 76 3PY -0.03174 -0.00266 -0.02454 -0.00470 -0.00004 77 3PZ 0.02661 -0.03344 0.00836 -0.02682 -0.00164 78 4XX 0.00549 0.00018 -0.00094 0.00432 -0.00027 79 4YY -0.00310 0.00163 0.00111 -0.00154 0.00002 80 4ZZ -0.00030 -0.00333 -0.00046 -0.00239 0.00019 81 4XY -0.00052 -0.00243 0.00049 -0.00288 0.00020 82 4XZ -0.00216 -0.00027 0.00085 -0.00430 0.00005 83 4YZ 0.00435 -0.00280 0.00253 -0.00072 0.00035 84 10 H 1S 0.03828 -0.00170 -0.01025 0.02380 -0.00093 85 2S 0.04612 0.00372 -0.00928 0.04475 -0.00185 86 11 H 1S 0.00174 -0.01675 0.00108 -0.02315 -0.00060 87 2S 0.00803 -0.00721 0.00083 -0.00888 -0.00017 88 12 C 1S 0.00403 -0.00828 0.00290 -0.00469 -0.00008 89 2S 0.00223 0.01167 -0.00108 0.01116 -0.00003 90 2PX -0.01990 0.06369 -0.01666 0.05173 -0.00023 91 2PY 0.01251 -0.00182 0.00366 0.01246 0.00097 92 2PZ -0.00973 0.04066 -0.00389 0.03488 -0.00056 93 3S -0.00270 0.02513 -0.00926 0.03002 -0.00038 94 3PX -0.01079 0.04502 -0.00868 0.03638 -0.00066 95 3PY 0.01093 0.00701 0.00146 0.01623 0.00048 96 3PZ -0.01192 0.03911 -0.00946 0.03657 -0.00080 97 4XX -0.00025 -0.00215 0.00016 -0.00208 -0.00001 98 4YY 0.00027 0.00043 0.00010 0.00027 -0.00001 99 4ZZ -0.00043 0.00152 -0.00042 0.00128 -0.00002 100 4XY -0.00097 0.00071 -0.00106 -0.00008 -0.00021 101 4XZ -0.00183 0.00059 -0.00056 -0.00065 -0.00006 102 4YZ -0.00097 -0.00009 0.00011 -0.00076 -0.00023 103 13 C 1S -0.00475 -0.00385 -0.00047 -0.00685 -0.00048 104 2S -0.00232 0.01480 -0.00202 0.01175 0.00017 105 2PX 0.01647 0.00361 0.01714 0.01415 0.00460 106 2PY -0.00697 -0.00363 -0.00203 -0.01546 -0.00072 107 2PZ 0.01960 0.00093 -0.00012 0.00809 0.00457 108 3S 0.01242 0.02823 -0.00093 0.03700 0.00094 109 3PX 0.01149 -0.00081 0.00869 0.00929 0.00319 110 3PY -0.00141 -0.00871 0.00253 -0.01568 -0.00001 111 3PZ 0.01862 0.00229 0.00490 0.00777 0.00360 112 4XX 0.00029 -0.00316 -0.00006 -0.00326 0.00012 113 4YY -0.00011 0.00099 -0.00021 0.00075 -0.00011 114 4ZZ 0.00062 0.00019 0.00084 0.00071 0.00006 115 4XY -0.00085 0.00313 -0.00100 0.00256 -0.00008 116 4XZ -0.00029 -0.00226 0.00057 -0.00257 0.00023 117 4YZ -0.00081 0.00262 -0.00002 0.00245 -0.00011 118 14 C 1S 0.00719 -0.00426 0.00289 0.00133 0.00022 119 2S -0.00454 0.00545 -0.00595 0.00292 -0.00049 120 2PX 0.01583 0.00627 -0.00914 0.01849 -0.00018 121 2PY -0.00637 0.00302 -0.00436 0.00062 -0.00055 122 2PZ 0.02229 -0.00736 0.00508 0.00973 0.00092 123 3S -0.00849 -0.00349 -0.00318 -0.01049 -0.00048 124 3PX 0.00636 0.00124 -0.00040 0.00531 -0.00024 125 3PY -0.00087 -0.00621 -0.00441 -0.00506 -0.00033 126 3PZ 0.01482 0.00165 0.00012 0.01196 0.00002 127 4XX 0.00038 0.00072 0.00041 0.00107 0.00023 128 4YY -0.00004 -0.00026 -0.00039 -0.00024 -0.00007 129 4ZZ -0.00059 -0.00031 -0.00006 -0.00033 -0.00010 130 4XY 0.00051 0.00038 -0.00027 0.00014 0.00013 131 4XZ 0.00043 -0.00034 0.00039 -0.00041 0.00012 132 4YZ -0.00025 -0.00013 0.00134 -0.00053 0.00024 133 15 C 1S 0.00136 0.00006 -0.00128 0.00070 0.00000 134 2S -0.00394 0.00051 0.00240 -0.00125 0.00005 135 2PX -0.00213 -0.01063 0.00445 -0.00981 -0.00002 136 2PY -0.00104 0.00269 -0.00201 0.00050 0.00005 137 2PZ 0.00647 -0.01198 -0.00018 -0.00857 -0.00016 138 3S -0.00406 0.00040 0.01023 -0.00331 0.00038 139 3PX -0.00039 -0.00667 0.00394 -0.00608 0.00002 140 3PY -0.00021 0.00070 0.00011 -0.00140 -0.00001 141 3PZ 0.00247 -0.00963 -0.00042 -0.00833 -0.00010 142 4XX 0.00068 0.00027 -0.00026 0.00083 0.00000 143 4YY 0.00001 0.00010 0.00005 0.00006 0.00001 144 4ZZ -0.00065 -0.00001 -0.00014 -0.00044 -0.00004 145 4XY -0.00022 -0.00001 -0.00012 -0.00020 -0.00001 146 4XZ 0.00053 0.00003 0.00010 0.00039 0.00003 147 4YZ -0.00052 -0.00047 0.00026 -0.00087 0.00000 148 16 C 1S 0.00186 -0.00202 0.00071 -0.00106 0.00001 149 2S -0.00303 0.00387 -0.00115 0.00188 0.00011 150 2PX -0.00313 -0.00306 -0.00033 -0.00408 -0.00023 151 2PY 0.00004 0.00116 -0.00162 0.00224 -0.00013 152 2PZ -0.00422 -0.01240 0.00184 -0.01548 -0.00034 153 3S -0.00490 0.01094 -0.00656 0.00979 0.00002 154 3PX -0.00389 -0.00329 -0.00066 -0.00472 -0.00005 155 3PY -0.00176 0.00235 0.00114 -0.00027 -0.00001 156 3PZ -0.00420 -0.00961 0.00144 -0.01238 -0.00015 157 4XX 0.00024 0.00020 -0.00001 0.00047 0.00000 158 4YY -0.00038 0.00032 -0.00003 -0.00002 0.00000 159 4ZZ 0.00034 -0.00079 0.00026 -0.00057 0.00001 160 4XY -0.00003 0.00069 -0.00026 0.00057 0.00000 161 4XZ -0.00005 0.00065 -0.00024 0.00062 -0.00002 162 4YZ -0.00027 0.00023 0.00001 0.00009 0.00001 163 17 C 1S -0.00402 0.00412 -0.00245 0.00121 -0.00008 164 2S 0.00575 -0.00882 0.00464 -0.00342 0.00039 165 2PX 0.00490 -0.00493 0.00493 -0.00106 0.00011 166 2PY -0.01296 0.01369 -0.00706 0.00290 -0.00036 167 2PZ -0.01207 0.02211 -0.00885 0.01180 -0.00072 168 3S 0.00875 -0.01254 0.01050 -0.01213 0.00006 169 3PX 0.00024 0.00146 0.00356 -0.00195 -0.00015 170 3PY -0.00220 0.00761 -0.00230 0.00698 0.00008 171 3PZ -0.00240 0.01070 -0.00448 0.00911 -0.00048 172 4XX 0.00011 0.00267 -0.00026 0.00289 -0.00001 173 4YY -0.00066 -0.00046 -0.00020 -0.00120 0.00001 174 4ZZ 0.00035 -0.00169 0.00018 -0.00114 0.00004 175 4XY -0.00017 -0.00072 -0.00020 -0.00087 0.00004 176 4XZ -0.00054 0.00134 -0.00035 0.00093 -0.00006 177 4YZ 0.00091 -0.00331 0.00076 -0.00323 0.00006 178 18 H 1S 0.00471 0.00227 -0.00306 0.00661 0.00074 179 2S -0.00011 -0.00139 -0.00489 0.00044 0.00083 180 19 H 1S -0.00229 0.01022 0.00446 0.01230 -0.00079 181 2S -0.00158 0.00361 0.00610 0.00099 -0.00053 182 20 H 1S 0.00143 0.00074 -0.00125 0.00130 -0.00010 183 2S 0.00218 0.00146 -0.00314 0.00231 -0.00025 184 21 H 1S -0.00093 -0.00268 0.00070 -0.00307 0.00003 185 2S 0.00148 -0.00745 0.00262 -0.00580 0.00008 186 22 O 1S 0.00272 -0.00102 0.00164 0.00114 0.00000 187 2S -0.00647 0.00309 -0.00369 -0.00254 0.00000 188 2PX -0.00309 -0.01281 -0.00145 -0.01638 0.00056 189 2PY 0.00746 -0.00731 0.00256 -0.00180 0.00030 190 2PZ 0.00564 -0.02765 0.00470 -0.03117 0.00093 191 3S -0.00575 -0.00105 -0.00452 -0.00492 -0.00015 192 3PX -0.00269 -0.01024 -0.00183 -0.01248 0.00041 193 3PY 0.00440 -0.00378 0.00194 -0.00138 0.00024 194 3PZ 0.00519 -0.02392 0.00468 -0.02568 0.00080 195 4XX 0.00016 0.00037 0.00010 0.00035 0.00000 196 4YY -0.00040 0.00042 -0.00011 0.00025 0.00000 197 4ZZ 0.00009 -0.00021 0.00012 -0.00024 0.00002 198 4XY 0.00011 0.00070 0.00002 0.00072 -0.00003 199 4XZ -0.00006 -0.00001 0.00000 -0.00016 -0.00001 200 4YZ 0.00019 0.00055 0.00006 0.00105 -0.00001 201 23 O 1S -0.00406 0.00162 -0.00053 -0.00124 0.00007 202 2S 0.00739 -0.00229 0.00115 0.00256 -0.00009 203 2PX 0.00043 -0.00259 -0.00309 0.00503 -0.00189 204 2PY -0.00451 -0.00003 0.00118 -0.00686 0.00050 205 2PZ 0.01640 0.00207 -0.01472 0.01746 -0.00232 206 3S 0.01264 -0.00795 -0.00195 0.00329 -0.00029 207 3PX -0.00118 -0.00345 -0.00211 0.00139 -0.00132 208 3PY -0.00132 -0.00116 -0.00003 -0.00383 0.00031 209 3PZ 0.00836 0.00089 -0.01119 0.00978 -0.00178 210 4XX -0.00027 0.00029 0.00019 0.00006 0.00002 211 4YY -0.00055 0.00032 0.00016 -0.00044 0.00004 212 4ZZ -0.00018 0.00030 0.00005 0.00011 -0.00002 213 4XY 0.00055 -0.00003 -0.00044 0.00075 -0.00008 214 4XZ 0.00015 -0.00010 -0.00002 0.00000 -0.00001 215 4YZ 0.00133 -0.00023 -0.00048 0.00091 -0.00007 26 27 28 29 30 26 4YY 0.00112 27 4ZZ -0.00011 0.00080 28 4XY -0.00011 -0.00007 0.00112 29 4XZ 0.00045 -0.00015 0.00029 0.00077 30 4YZ -0.00001 -0.00003 -0.00050 -0.00029 0.00107 31 3 C 1S -0.00697 0.00264 -0.00023 -0.00085 0.00014 32 2S 0.01254 -0.00615 -0.00003 0.00218 -0.00014 33 2PX -0.00248 0.00111 0.01308 0.00024 -0.00005 34 2PY -0.00645 0.00860 0.00141 -0.00341 0.00030 35 2PZ 0.00115 -0.00050 0.00028 -0.00030 0.01363 36 3S 0.01057 -0.00447 0.00465 0.00359 -0.00429 37 3PX 0.00034 -0.00033 0.00492 0.00062 0.00376 38 3PY -0.00204 0.00209 -0.00033 -0.00161 0.00169 39 3PZ -0.00107 -0.00002 0.00341 -0.00039 0.00641 40 4XX -0.00024 0.00039 -0.00032 -0.00007 -0.00018 41 4YY -0.00017 -0.00033 0.00016 -0.00021 -0.00011 42 4ZZ -0.00033 0.00032 0.00018 -0.00008 0.00023 43 4XY -0.00016 -0.00018 0.00044 0.00000 -0.00057 44 4XZ -0.00021 -0.00008 0.00000 0.00013 -0.00008 45 4YZ 0.00011 -0.00023 -0.00057 0.00008 0.00041 46 4 C 1S -0.00146 -0.00027 0.00212 0.00020 -0.00113 47 2S 0.00318 0.00094 -0.00454 -0.00064 0.00238 48 2PX 0.00361 -0.00230 -0.00154 -0.00035 0.01048 49 2PY -0.00440 -0.00072 0.00488 0.00074 -0.00275 50 2PZ -0.00305 -0.00105 0.00886 0.00032 0.00218 51 3S 0.00462 0.00077 -0.00771 0.00031 0.00203 52 3PX 0.00050 -0.00186 0.00016 -0.00013 0.00694 53 3PY -0.00262 0.00089 0.00284 -0.00053 -0.00063 54 3PZ -0.00033 -0.00169 0.00481 0.00076 0.00190 55 4XX 0.00017 -0.00009 0.00036 0.00011 0.00037 56 4YY -0.00041 0.00003 0.00004 -0.00023 -0.00012 57 4ZZ 0.00007 -0.00005 0.00000 0.00018 -0.00047 58 4XY -0.00031 0.00021 0.00008 -0.00010 -0.00016 59 4XZ -0.00034 0.00013 0.00020 0.00001 0.00007 60 4YZ 0.00016 -0.00031 -0.00013 0.00012 -0.00009 61 5 H 1S 0.00615 -0.00030 0.00403 0.00205 -0.00433 62 2S 0.00678 -0.00054 0.00129 0.00317 -0.00398 63 6 H 1S -0.00144 0.00090 -0.00998 -0.00774 0.00984 64 2S -0.00090 0.00251 -0.00889 -0.00510 0.00904 65 7 H 1S 0.00058 0.00144 0.00576 -0.00056 -0.00543 66 2S -0.00296 0.00274 0.00542 -0.00159 -0.00531 67 8 H 1S -0.00202 -0.00038 0.00189 0.00009 -0.00132 68 2S -0.00194 -0.00140 0.00171 0.00018 -0.00109 69 9 C 1S 0.00082 -0.00141 0.00099 0.00105 -0.00047 70 2S -0.00154 0.00296 -0.00232 -0.00246 0.00091 71 2PX -0.00197 0.00426 -0.00209 -0.00236 0.00075 72 2PY 0.00315 -0.00379 0.00474 0.00427 -0.00217 73 2PZ 0.00262 -0.00389 0.00337 0.00586 -0.00329 74 3S -0.00350 0.00507 -0.00227 -0.00353 0.00296 75 3PX -0.00101 0.00231 -0.00052 -0.00113 0.00075 76 3PY 0.00062 -0.00191 0.00381 0.00168 -0.00221 77 3PZ 0.00194 -0.00282 0.00028 0.00281 -0.00317 78 4XX 0.00012 -0.00022 0.00024 0.00018 0.00003 79 4YY 0.00006 0.00019 0.00008 -0.00011 -0.00008 80 4ZZ -0.00011 -0.00013 -0.00018 0.00001 -0.00011 81 4XY 0.00027 -0.00029 0.00000 0.00023 0.00042 82 4XZ 0.00003 0.00005 -0.00001 0.00028 -0.00018 83 4YZ -0.00037 -0.00002 0.00016 -0.00024 0.00010 84 10 H 1S 0.00095 -0.00214 0.00132 0.00125 -0.00026 85 2S 0.00093 -0.00190 0.00220 0.00103 0.00046 86 11 H 1S -0.00008 0.00024 -0.00013 0.00159 -0.00129 87 2S 0.00005 -0.00083 0.00078 0.00235 -0.00096 88 12 C 1S -0.00008 -0.00022 -0.00031 -0.00026 -0.00020 89 2S 0.00007 0.00024 0.00080 0.00049 0.00046 90 2PX -0.00072 0.00043 0.00067 0.00187 -0.00069 91 2PY -0.00053 -0.00044 0.00068 -0.00021 0.00115 92 2PZ -0.00006 -0.00012 0.00004 0.00133 -0.00076 93 3S 0.00034 -0.00003 0.00255 0.00121 0.00131 94 3PX -0.00006 0.00059 -0.00019 0.00130 -0.00026 95 3PY -0.00066 0.00000 0.00071 -0.00017 0.00086 96 3PZ -0.00041 0.00038 0.00079 0.00105 -0.00102 97 4XX 0.00005 -0.00001 -0.00022 -0.00007 -0.00015 98 4YY -0.00002 0.00000 0.00006 0.00003 0.00003 99 4ZZ -0.00004 0.00005 0.00005 -0.00003 0.00000 100 4XY 0.00005 0.00017 -0.00014 -0.00010 -0.00024 101 4XZ 0.00002 0.00006 -0.00017 -0.00003 -0.00017 102 4YZ 0.00004 0.00015 -0.00015 -0.00004 -0.00022 103 13 C 1S 0.00006 -0.00002 -0.00032 -0.00047 -0.00050 104 2S -0.00027 -0.00003 0.00069 0.00112 0.00061 105 2PX -0.00185 -0.00330 0.00322 0.00314 0.00407 106 2PY 0.00052 0.00034 -0.00038 -0.00019 -0.00096 107 2PZ -0.00067 -0.00339 0.00259 0.00085 0.00285 108 3S -0.00131 0.00041 0.00141 0.00068 0.00173 109 3PX -0.00141 -0.00265 0.00298 0.00231 0.00244 110 3PY -0.00013 0.00023 -0.00091 -0.00052 -0.00075 111 3PZ -0.00068 -0.00232 0.00178 0.00091 0.00340 112 4XX -0.00002 -0.00012 -0.00009 -0.00009 -0.00009 113 4YY 0.00007 0.00005 0.00001 0.00003 -0.00002 114 4ZZ -0.00001 0.00000 0.00002 0.00002 0.00016 115 4XY -0.00001 0.00009 -0.00004 -0.00001 -0.00006 116 4XZ -0.00004 -0.00012 0.00001 -0.00004 0.00002 117 4YZ -0.00006 0.00007 -0.00002 0.00008 -0.00002 118 14 C 1S -0.00025 -0.00030 0.00015 -0.00002 0.00011 119 2S 0.00014 0.00056 -0.00032 -0.00041 -0.00036 120 2PX 0.00016 0.00039 -0.00004 -0.00068 0.00001 121 2PY 0.00007 0.00027 -0.00028 -0.00034 -0.00046 122 2PZ -0.00060 -0.00065 0.00088 0.00060 0.00139 123 3S 0.00062 -0.00021 -0.00024 0.00008 -0.00095 124 3PX 0.00009 -0.00006 0.00006 0.00009 -0.00008 125 3PY -0.00004 -0.00013 0.00003 -0.00006 -0.00078 126 3PZ -0.00001 0.00004 0.00036 0.00002 0.00091 127 4XX -0.00006 -0.00018 0.00019 0.00013 0.00019 128 4YY 0.00001 0.00006 -0.00004 -0.00005 -0.00010 129 4ZZ -0.00001 0.00011 -0.00009 -0.00005 -0.00009 130 4XY -0.00001 -0.00011 0.00007 0.00001 0.00007 131 4XZ 0.00002 -0.00010 0.00006 0.00002 0.00008 132 4YZ -0.00006 -0.00016 0.00016 0.00013 0.00026 133 15 C 1S 0.00010 0.00001 -0.00006 -0.00010 -0.00010 134 2S -0.00016 0.00004 0.00013 0.00026 0.00016 135 2PX -0.00022 0.00040 -0.00026 0.00005 0.00010 136 2PY 0.00019 0.00015 -0.00003 -0.00014 -0.00018 137 2PZ 0.00019 0.00059 -0.00075 -0.00077 -0.00051 138 3S -0.00028 -0.00003 0.00007 0.00045 0.00098 139 3PX -0.00019 0.00035 -0.00035 -0.00014 0.00000 140 3PY 0.00023 0.00022 -0.00024 -0.00033 0.00016 141 3PZ 0.00007 0.00040 -0.00056 -0.00048 -0.00045 142 4XX -0.00001 0.00000 0.00002 -0.00001 0.00003 143 4YY -0.00001 0.00000 0.00001 0.00001 0.00001 144 4ZZ 0.00002 0.00002 -0.00003 -0.00002 -0.00006 145 4XY 0.00001 0.00003 -0.00003 -0.00003 -0.00004 146 4XZ -0.00001 -0.00003 0.00004 0.00003 0.00004 147 4YZ 0.00001 0.00001 -0.00001 0.00001 0.00000 148 16 C 1S 0.00003 -0.00009 0.00002 -0.00003 0.00003 149 2S -0.00009 0.00020 -0.00010 0.00005 0.00000 150 2PX -0.00010 0.00065 -0.00063 -0.00025 -0.00049 151 2PY -0.00013 0.00003 -0.00012 -0.00003 -0.00006 152 2PZ 0.00028 0.00063 -0.00050 -0.00046 -0.00046 153 3S -0.00024 0.00004 0.00010 0.00042 -0.00047 154 3PX 0.00001 0.00028 -0.00032 -0.00010 -0.00031 155 3PY 0.00003 0.00012 -0.00027 0.00001 0.00026 156 3PZ 0.00019 0.00044 -0.00048 -0.00034 -0.00040 157 4XX 0.00000 0.00000 0.00002 0.00001 0.00003 158 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 159 4ZZ 0.00000 -0.00002 -0.00002 -0.00002 0.00001 160 4XY 0.00000 -0.00001 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00000 0.00002 0.00002 -0.00001 162 4YZ 0.00000 -0.00002 0.00003 0.00002 0.00003 163 17 C 1S -0.00002 0.00005 -0.00002 0.00004 -0.00017 164 2S 0.00002 -0.00022 0.00004 -0.00008 0.00061 165 2PX 0.00017 -0.00005 0.00048 0.00006 0.00076 166 2PY 0.00005 0.00041 -0.00003 0.00023 -0.00046 167 2PZ -0.00014 0.00072 0.00004 0.00026 -0.00046 168 3S 0.00026 -0.00028 -0.00078 -0.00006 -0.00003 169 3PX 0.00022 0.00000 -0.00016 0.00020 0.00029 170 3PY -0.00031 -0.00005 0.00069 0.00018 0.00003 171 3PZ -0.00010 0.00038 0.00063 -0.00004 -0.00003 172 4XX -0.00004 0.00000 0.00006 0.00007 0.00000 173 4YY 0.00002 0.00002 -0.00005 -0.00002 0.00001 174 4ZZ -0.00001 0.00000 -0.00002 -0.00005 0.00003 175 4XY -0.00002 0.00001 -0.00005 -0.00003 0.00000 176 4XZ 0.00000 0.00001 0.00000 0.00003 -0.00009 177 4YZ 0.00003 -0.00006 0.00000 -0.00007 0.00010 178 18 H 1S -0.00036 -0.00004 0.00096 -0.00003 0.00088 179 2S -0.00052 -0.00005 0.00074 -0.00021 0.00007 180 19 H 1S -0.00044 0.00073 -0.00010 0.00089 0.00038 181 2S -0.00019 0.00068 -0.00090 0.00043 0.00059 182 20 H 1S 0.00005 0.00006 -0.00017 -0.00021 -0.00019 183 2S 0.00014 0.00017 -0.00035 -0.00043 -0.00043 184 21 H 1S 0.00004 -0.00004 0.00005 -0.00001 0.00011 185 2S 0.00005 -0.00023 0.00015 0.00000 0.00021 186 22 O 1S -0.00003 -0.00006 0.00003 -0.00001 0.00002 187 2S 0.00004 0.00015 -0.00002 0.00006 -0.00007 188 2PX 0.00014 0.00021 -0.00078 -0.00033 0.00037 189 2PY -0.00014 -0.00026 0.00017 -0.00015 0.00038 190 2PZ 0.00014 -0.00070 0.00033 -0.00057 0.00145 191 3S 0.00027 0.00024 -0.00038 -0.00008 -0.00005 192 3PX 0.00010 0.00016 -0.00064 -0.00030 0.00017 193 3PY -0.00015 -0.00018 0.00017 -0.00006 0.00022 194 3PZ 0.00013 -0.00061 0.00009 -0.00045 0.00106 195 4XX -0.00002 0.00000 0.00002 0.00001 -0.00001 196 4YY 0.00000 0.00000 0.00001 0.00001 -0.00001 197 4ZZ -0.00002 -0.00001 0.00002 0.00000 0.00001 198 4XY -0.00001 -0.00001 0.00002 0.00001 -0.00004 199 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 200 4YZ -0.00001 0.00000 0.00000 0.00002 -0.00004 201 23 O 1S 0.00005 0.00005 0.00000 0.00008 0.00004 202 2S -0.00002 0.00002 -0.00001 -0.00019 -0.00005 203 2PX 0.00010 0.00176 -0.00112 -0.00069 -0.00130 204 2PY 0.00011 -0.00014 0.00010 0.00021 0.00026 205 2PZ 0.00026 0.00166 -0.00142 -0.00126 -0.00232 206 3S -0.00032 -0.00008 0.00016 -0.00036 -0.00049 207 3PX 0.00002 0.00126 -0.00082 -0.00053 -0.00102 208 3PY -0.00006 -0.00011 0.00010 0.00007 0.00013 209 3PZ 0.00023 0.00125 -0.00116 -0.00097 -0.00198 210 4XX 0.00002 -0.00001 0.00001 0.00002 0.00003 211 4YY 0.00001 0.00001 -0.00002 0.00001 0.00004 212 4ZZ 0.00001 0.00003 -0.00003 -0.00001 0.00000 213 4XY 0.00000 0.00009 -0.00005 -0.00006 -0.00006 214 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00001 215 4YZ -0.00001 0.00005 -0.00004 -0.00004 -0.00006 31 32 33 34 35 31 3 C 1S 2.05350 32 2S -0.06403 0.33137 33 2PX -0.00214 -0.00416 0.37396 34 2PY -0.00016 -0.00369 0.00817 0.41906 35 2PZ -0.00062 0.00592 -0.04446 -0.00045 0.37852 36 3S -0.16656 0.25600 0.04393 0.01077 -0.02271 37 3PX -0.00541 0.02252 0.15182 0.00258 0.05816 38 3PY -0.00323 0.01831 -0.00384 0.13604 0.02126 39 3PZ 0.00294 -0.01327 0.05147 0.01065 0.18504 40 4XX -0.01548 -0.00686 -0.00773 0.00925 -0.00378 41 4YY -0.01744 -0.00235 0.00622 -0.01282 -0.00470 42 4ZZ -0.01464 -0.00826 0.00499 0.00785 0.00346 43 4XY -0.00183 0.00345 0.00612 0.00265 -0.01195 44 4XZ 0.00454 -0.00957 -0.00063 -0.01006 -0.00095 45 4YZ 0.00208 -0.00382 -0.01126 -0.00419 0.00439 46 4 C 1S 0.01661 -0.03337 0.06376 -0.02727 -0.03648 47 2S -0.03093 0.05743 -0.12764 0.06242 0.07600 48 2PX -0.06078 0.12959 -0.08145 0.11176 0.25156 49 2PY 0.02178 -0.03983 0.07813 -0.01340 -0.03700 50 2PZ 0.04384 -0.09115 0.23182 -0.07213 0.00976 51 3S -0.00856 0.03679 -0.16445 0.01462 0.03328 52 3PX -0.01218 0.03680 0.00115 0.04881 0.13173 53 3PY 0.00926 -0.02391 0.04968 0.02217 0.00429 54 3PZ 0.00654 -0.01741 0.10591 -0.02986 0.03363 55 4XX -0.00330 0.00590 0.00717 0.00463 0.01059 56 4YY 0.00285 -0.00619 0.00444 -0.00939 -0.00538 57 4ZZ -0.00003 -0.00054 -0.00132 0.00022 -0.01107 58 4XY 0.00282 -0.00566 0.00467 0.00687 -0.00707 59 4XZ 0.00455 -0.00869 0.00687 -0.00404 0.00017 60 4YZ -0.00200 0.00420 -0.00690 -0.00524 0.00128 61 5 H 1S -0.00894 0.02001 -0.01118 -0.03151 -0.00509 62 2S -0.01189 0.02558 -0.03472 -0.05913 -0.02090 63 6 H 1S 0.01288 -0.02651 -0.01715 0.04449 0.01074 64 2S 0.01472 -0.02540 -0.03286 0.08019 0.03468 65 7 H 1S -0.06256 0.11660 0.15490 0.15405 -0.15067 66 2S -0.01360 0.02417 0.13610 0.13143 -0.13517 67 8 H 1S 0.01219 -0.02477 0.02916 -0.03156 -0.01805 68 2S 0.01116 -0.01992 0.03480 -0.05770 -0.02617 69 9 C 1S -0.00478 0.00984 -0.00634 -0.00742 0.01093 70 2S 0.01044 -0.02368 0.01066 0.01219 -0.03541 71 2PX 0.01014 -0.02595 0.00051 0.00410 -0.03392 72 2PY 0.00122 -0.00984 0.03563 -0.02201 -0.00423 73 2PZ -0.01389 0.03186 -0.03726 -0.01763 0.00608 74 3S 0.02050 -0.04110 0.04923 0.08734 -0.01933 75 3PX 0.00620 -0.01160 0.00654 0.00655 0.00112 76 3PY 0.00288 -0.01050 0.03783 -0.01118 -0.01734 77 3PZ -0.01041 0.02207 -0.05816 -0.03821 -0.03226 78 4XX -0.00145 0.00325 -0.00042 -0.00008 0.00680 79 4YY 0.00095 -0.00197 0.00359 -0.00075 -0.00255 80 4ZZ -0.00023 0.00060 -0.00690 0.00106 -0.00257 81 4XY -0.00115 0.00249 -0.00036 0.00076 0.00700 82 4XZ 0.00133 -0.00299 0.00194 -0.00077 -0.00832 83 4YZ 0.00069 -0.00116 0.00407 0.00063 0.00039 84 10 H 1S -0.00834 0.01995 -0.00743 0.00452 0.03274 85 2S -0.01086 0.02642 -0.00307 0.00239 0.07087 86 11 H 1S 0.00105 -0.00345 -0.02090 -0.00265 -0.03262 87 2S 0.00012 -0.00154 -0.00979 -0.00281 -0.01650 88 12 C 1S -0.00144 0.00344 -0.00841 0.00051 -0.00666 89 2S 0.00204 -0.00522 0.01939 -0.00238 0.01539 90 2PX 0.00497 -0.02040 0.01890 -0.00523 -0.00176 91 2PY 0.00109 -0.00484 0.01022 -0.00224 0.00986 92 2PZ -0.00045 0.00009 -0.00010 0.00198 -0.00745 93 3S 0.00163 -0.01160 0.04472 0.00485 0.04558 94 3PX 0.00867 -0.00980 0.00131 -0.00309 0.00315 95 3PY -0.00117 -0.00306 0.01358 0.00279 0.01752 96 3PZ -0.00058 -0.00749 0.01575 0.00400 -0.00987 97 4XX -0.00091 0.00150 -0.00554 0.00034 -0.00389 98 4YY -0.00016 0.00012 0.00147 -0.00009 0.00121 99 4ZZ 0.00017 -0.00108 0.00185 -0.00068 -0.00023 100 4XY 0.00022 -0.00042 -0.00297 -0.00030 -0.00375 101 4XZ 0.00032 -0.00035 -0.00325 0.00003 -0.00363 102 4YZ -0.00031 0.00050 -0.00325 -0.00017 -0.00374 103 13 C 1S -0.00065 0.00087 -0.00838 -0.00159 -0.00802 104 2S 0.00016 -0.00050 0.01597 0.00077 0.01638 105 2PX 0.00211 -0.00557 0.06593 0.00743 0.06825 106 2PY 0.00050 0.00086 -0.00322 0.00036 -0.00707 107 2PZ 0.00103 -0.00422 0.04620 0.00371 0.04570 108 3S 0.00336 -0.00405 0.03427 0.01498 0.04233 109 3PX -0.00044 -0.00586 0.05450 0.00408 0.04383 110 3PY -0.00045 -0.00025 -0.01170 -0.00192 -0.01988 111 3PZ 0.00299 -0.00258 0.04042 0.00937 0.05284 112 4XX -0.00022 0.00033 -0.00326 -0.00019 -0.00309 113 4YY -0.00016 0.00019 0.00046 -0.00032 0.00073 114 4ZZ -0.00023 0.00020 0.00164 0.00009 0.00199 115 4XY 0.00007 -0.00075 0.00012 -0.00047 -0.00089 116 4XZ 0.00017 -0.00020 -0.00011 0.00043 -0.00065 117 4YZ 0.00003 -0.00020 0.00041 0.00021 0.00002 118 14 C 1S 0.00004 0.00026 0.00269 0.00121 0.00343 119 2S 0.00053 -0.00175 -0.00613 -0.00087 -0.00788 120 2PX 0.00015 -0.00039 -0.00113 -0.00084 0.00176 121 2PY -0.00020 -0.00138 -0.00794 -0.00209 -0.00975 122 2PZ 0.00065 -0.00071 0.02108 0.00366 0.02453 123 3S -0.00349 -0.00006 -0.00855 -0.01234 -0.02246 124 3PX -0.00179 0.00035 0.00460 -0.00713 -0.00268 125 3PY -0.00058 -0.00033 -0.00696 -0.00052 -0.01115 126 3PZ 0.00012 0.00175 0.01033 0.00329 0.01953 127 4XX 0.00003 -0.00025 0.00324 0.00021 0.00344 128 4YY 0.00005 -0.00009 -0.00076 0.00022 -0.00129 129 4ZZ 0.00010 -0.00013 -0.00170 0.00018 -0.00161 130 4XY -0.00006 0.00002 0.00108 -0.00005 0.00124 131 4XZ -0.00006 0.00020 0.00106 0.00002 0.00158 132 4YZ 0.00005 -0.00017 0.00370 0.00037 0.00414 133 15 C 1S -0.00025 0.00052 -0.00182 -0.00013 -0.00096 134 2S 0.00070 -0.00164 0.00454 0.00032 0.00135 135 2PX 0.00081 -0.00162 -0.00206 0.00050 -0.00340 136 2PY 0.00019 0.00009 -0.00179 -0.00125 -0.00290 137 2PZ 0.00022 0.00102 -0.01389 -0.00098 -0.01363 138 3S 0.00235 -0.00036 0.00960 0.00022 0.01315 139 3PX 0.00101 -0.00104 -0.00379 0.00009 -0.00444 140 3PY 0.00113 0.00120 -0.00431 0.00097 0.00213 141 3PZ 0.00030 -0.00025 -0.01109 0.00002 -0.01198 142 4XX 0.00003 -0.00007 0.00049 0.00018 0.00068 143 4YY 0.00009 -0.00008 0.00028 -0.00001 0.00006 144 4ZZ -0.00002 0.00004 -0.00080 -0.00013 -0.00097 145 4XY 0.00001 -0.00002 -0.00065 -0.00003 -0.00071 146 4XZ -0.00004 0.00012 0.00058 0.00011 0.00103 147 4YZ -0.00004 0.00005 -0.00012 -0.00010 -0.00028 148 16 C 1S -0.00022 0.00087 0.00002 0.00019 0.00072 149 2S 0.00090 -0.00200 0.00026 -0.00009 -0.00099 150 2PX 0.00081 -0.00221 -0.00952 -0.00058 -0.01146 151 2PY 0.00000 -0.00118 -0.00132 0.00045 -0.00056 152 2PZ -0.00028 0.00166 -0.01028 -0.00058 -0.01195 153 3S -0.00077 -0.00601 0.00516 -0.00424 -0.00737 154 3PX -0.00039 -0.00175 -0.00501 -0.00098 -0.00791 155 3PY 0.00196 -0.00013 -0.00208 -0.00049 0.00343 156 3PZ 0.00037 0.00155 -0.01054 0.00087 -0.01019 157 4XX -0.00005 0.00016 0.00047 0.00028 0.00085 158 4YY 0.00008 -0.00018 0.00025 -0.00007 -0.00002 159 4ZZ 0.00001 0.00016 -0.00037 -0.00001 -0.00015 160 4XY -0.00001 -0.00003 0.00005 -0.00006 0.00010 161 4XZ 0.00006 -0.00011 0.00031 -0.00005 0.00029 162 4YZ -0.00005 0.00006 0.00056 0.00019 0.00072 163 17 C 1S 0.00036 -0.00277 0.00023 -0.00030 -0.00175 164 2S -0.00219 0.00558 -0.00009 0.00341 0.00790 165 2PX -0.00195 0.00563 0.00830 0.00271 0.01455 166 2PY 0.00124 -0.00377 0.00125 -0.00122 -0.00408 167 2PZ 0.00113 -0.00609 0.00477 -0.00076 -0.00121 168 3S 0.00498 0.00632 -0.01329 -0.00835 -0.01097 169 3PX 0.00131 0.00279 0.00193 -0.00608 0.00278 170 3PY -0.00061 -0.00702 0.01779 -0.00295 -0.00014 171 3PZ -0.00138 -0.00232 0.01256 0.00112 0.00714 172 4XX 0.00024 -0.00090 0.00132 -0.00028 0.00047 173 4YY -0.00013 0.00042 -0.00088 0.00056 0.00018 174 4ZZ -0.00012 0.00004 -0.00046 0.00033 0.00021 175 4XY -0.00013 -0.00005 -0.00062 0.00013 -0.00019 176 4XZ -0.00007 -0.00021 -0.00007 -0.00026 -0.00106 177 4YZ -0.00020 0.00080 -0.00039 0.00029 0.00109 178 18 H 1S 0.00212 -0.00922 0.02167 -0.00236 0.01494 179 2S 0.00231 -0.00892 0.01856 0.00046 -0.00587 180 19 H 1S 0.00016 0.00034 0.00324 0.00188 0.00629 181 2S 0.00039 0.00086 -0.00562 0.00394 -0.00038 182 20 H 1S 0.00007 0.00008 -0.00307 -0.00006 -0.00332 183 2S 0.00002 0.00041 -0.00818 -0.00090 -0.00690 184 21 H 1S -0.00042 0.00085 0.00067 0.00069 0.00119 185 2S -0.00134 0.00231 0.00091 0.00085 0.00263 186 22 O 1S 0.00025 -0.00009 0.00096 -0.00059 -0.00014 187 2S -0.00036 -0.00045 -0.00029 0.00085 -0.00063 188 2PX -0.00187 0.00492 -0.00924 0.00537 0.00530 189 2PY -0.00039 -0.00046 0.00241 0.00010 0.00460 190 2PZ -0.00268 0.00633 0.00320 0.00470 0.01988 191 3S -0.00178 0.00483 -0.01348 0.00582 0.00435 192 3PX -0.00156 0.00340 -0.00965 0.00526 0.00245 193 3PY 0.00043 -0.00165 0.00430 -0.00155 0.00115 194 3PZ -0.00179 0.00550 -0.00125 0.00348 0.01286 195 4XX 0.00012 -0.00046 0.00085 -0.00033 -0.00041 196 4YY -0.00004 -0.00012 0.00046 -0.00008 -0.00040 197 4ZZ 0.00006 -0.00030 0.00084 -0.00017 -0.00014 198 4XY 0.00018 -0.00040 0.00034 -0.00051 -0.00073 199 4XZ -0.00001 -0.00001 -0.00005 -0.00009 -0.00016 200 4YZ 0.00006 -0.00015 -0.00004 -0.00018 -0.00069 201 23 O 1S -0.00015 -0.00007 0.00008 -0.00050 0.00015 202 2S 0.00032 0.00015 0.00053 0.00098 -0.00003 203 2PX 0.00116 -0.00084 -0.01550 0.00195 -0.02024 204 2PY 0.00010 0.00069 0.00393 0.00079 0.00420 205 2PZ -0.00008 0.00039 -0.03223 -0.00180 -0.03703 206 3S 0.00085 -0.00005 -0.00350 0.00380 -0.00274 207 3PX 0.00117 -0.00083 -0.01302 0.00284 -0.01570 208 3PY 0.00030 0.00027 0.00198 0.00171 0.00298 209 3PZ 0.00001 0.00001 -0.02741 -0.00203 -0.03252 210 4XX -0.00006 0.00003 0.00046 -0.00016 0.00044 211 4YY 0.00002 0.00000 0.00028 0.00005 0.00028 212 4ZZ -0.00002 -0.00003 -0.00017 -0.00011 -0.00033 213 4XY 0.00011 -0.00010 -0.00077 0.00024 -0.00076 214 4XZ -0.00001 0.00007 -0.00013 -0.00009 -0.00005 215 4YZ 0.00002 -0.00002 -0.00080 0.00001 -0.00096 36 37 38 39 40 36 3S 0.26432 37 3PX 0.01634 0.08668 38 3PY 0.00276 0.00755 0.05455 39 3PZ -0.00397 0.05484 0.01118 0.11049 40 4XX -0.00371 -0.00468 0.00171 -0.00276 0.00095 41 4YY -0.00155 0.00134 -0.00352 -0.00105 -0.00035 42 4ZZ -0.00579 0.00263 0.00197 0.00273 0.00025 43 4XY 0.00471 0.00015 0.00028 -0.00461 -0.00010 44 4XZ -0.00750 -0.00107 -0.00322 -0.00012 -0.00008 45 4YZ -0.00806 -0.00265 -0.00019 -0.00079 -0.00002 46 4 C 1S 0.01473 0.00613 -0.00667 0.00610 -0.00286 47 2S 0.00770 -0.02920 0.01128 0.00234 0.00532 48 2PX 0.05527 0.03262 0.07570 0.10301 -0.00576 49 2PY -0.07070 0.03497 0.02112 -0.00814 -0.00508 50 2PZ -0.06900 0.10232 -0.03896 0.04228 -0.00738 51 3S -0.03004 -0.04555 -0.00302 -0.03367 0.00594 52 3PX -0.00989 0.04186 0.03888 0.05937 -0.00453 53 3PY -0.01881 0.01923 0.01219 0.01419 -0.00107 54 3PZ -0.01507 0.05577 -0.01165 0.03289 -0.00487 55 4XX 0.00778 0.00510 0.00277 0.00766 -0.00029 56 4YY -0.01008 0.00163 -0.00248 -0.00298 -0.00024 57 4ZZ 0.00325 -0.00357 -0.00104 -0.00530 0.00017 58 4XY -0.00258 0.00020 0.00116 -0.00205 0.00034 59 4XZ -0.00620 0.00256 -0.00177 0.00192 -0.00002 60 4YZ 0.00069 -0.00192 -0.00013 -0.00094 -0.00014 61 5 H 1S 0.05362 -0.00669 -0.02769 -0.00887 -0.00010 62 2S 0.05628 -0.02228 -0.03802 -0.02184 0.00044 63 6 H 1S -0.06040 0.00143 0.02306 -0.00140 0.00153 64 2S -0.06446 0.00416 0.03583 0.00459 0.00254 65 7 H 1S 0.12988 0.04110 0.04419 -0.04701 -0.00006 66 2S 0.05903 0.02579 0.02900 -0.03689 0.00166 67 8 H 1S -0.06205 0.01870 -0.00220 -0.01316 -0.00207 68 2S -0.05687 0.01982 -0.00505 -0.01485 -0.00404 69 9 C 1S 0.01703 -0.00336 -0.00178 0.00862 -0.00079 70 2S -0.03537 0.00177 0.00177 -0.02359 0.00154 71 2PX -0.05022 -0.00371 -0.00923 -0.03111 0.00059 72 2PY 0.06258 -0.00214 -0.04892 0.01396 0.00121 73 2PZ 0.06851 -0.02546 0.00344 0.00485 -0.00382 74 3S -0.03875 0.01728 0.02603 -0.00287 0.00251 75 3PX -0.01814 0.00141 -0.00223 -0.00347 -0.00024 76 3PY 0.03174 0.00266 -0.02454 0.00470 0.00004 77 3PZ 0.02661 -0.03344 -0.00836 -0.02682 -0.00164 78 4XX 0.00549 0.00018 0.00094 0.00432 -0.00027 79 4YY -0.00310 0.00163 -0.00111 -0.00154 0.00002 80 4ZZ -0.00030 -0.00333 0.00046 -0.00239 0.00019 81 4XY 0.00052 0.00243 0.00049 0.00288 -0.00020 82 4XZ -0.00216 -0.00027 -0.00085 -0.00430 0.00005 83 4YZ -0.00435 0.00280 0.00253 0.00072 -0.00035 84 10 H 1S 0.03828 -0.00170 0.01025 0.02380 -0.00093 85 2S 0.04612 0.00372 0.00928 0.04475 -0.00185 86 11 H 1S 0.00174 -0.01675 -0.00108 -0.02315 -0.00060 87 2S 0.00803 -0.00721 -0.00083 -0.00888 -0.00017 88 12 C 1S -0.00475 -0.00385 0.00047 -0.00685 -0.00048 89 2S -0.00232 0.01480 0.00202 0.01175 0.00017 90 2PX 0.01647 0.00361 -0.01714 0.01415 0.00460 91 2PY 0.00697 0.00363 -0.00203 0.01546 0.00072 92 2PZ 0.01960 0.00093 0.00012 0.00809 0.00457 93 3S 0.01242 0.02823 0.00094 0.03700 0.00094 94 3PX 0.01149 -0.00081 -0.00869 0.00929 0.00319 95 3PY 0.00140 0.00871 0.00253 0.01568 0.00001 96 3PZ 0.01862 0.00229 -0.00490 0.00777 0.00360 97 4XX 0.00029 -0.00316 0.00006 -0.00326 0.00012 98 4YY -0.00011 0.00099 0.00021 0.00075 -0.00011 99 4ZZ 0.00062 0.00019 -0.00084 0.00071 0.00006 100 4XY 0.00085 -0.00313 -0.00100 -0.00256 0.00008 101 4XZ -0.00029 -0.00226 -0.00057 -0.00257 0.00023 102 4YZ 0.00081 -0.00262 -0.00002 -0.00245 0.00011 103 13 C 1S 0.00403 -0.00828 -0.00290 -0.00469 -0.00008 104 2S 0.00223 0.01167 0.00108 0.01116 -0.00003 105 2PX -0.01990 0.06369 0.01666 0.05173 -0.00023 106 2PY -0.01251 0.00182 0.00366 -0.01246 -0.00097 107 2PZ -0.00973 0.04066 0.00389 0.03488 -0.00056 108 3S -0.00270 0.02513 0.00926 0.03002 -0.00038 109 3PX -0.01079 0.04502 0.00868 0.03638 -0.00066 110 3PY -0.01093 -0.00701 0.00146 -0.01623 -0.00048 111 3PZ -0.01192 0.03911 0.00946 0.03657 -0.00080 112 4XX -0.00025 -0.00215 -0.00016 -0.00208 -0.00001 113 4YY 0.00027 0.00043 -0.00010 0.00027 -0.00001 114 4ZZ -0.00043 0.00152 0.00042 0.00128 -0.00002 115 4XY 0.00097 -0.00071 -0.00106 0.00008 0.00021 116 4XZ -0.00183 0.00059 0.00056 -0.00065 -0.00006 117 4YZ 0.00097 0.00009 0.00011 0.00076 0.00023 118 14 C 1S -0.00402 0.00412 0.00245 0.00121 -0.00008 119 2S 0.00575 -0.00882 -0.00464 -0.00342 0.00039 120 2PX 0.00490 -0.00493 -0.00493 -0.00106 0.00011 121 2PY 0.01296 -0.01369 -0.00706 -0.00290 0.00036 122 2PZ -0.01207 0.02211 0.00885 0.01180 -0.00072 123 3S 0.00875 -0.01254 -0.01050 -0.01213 0.00006 124 3PX 0.00024 0.00146 -0.00356 -0.00195 -0.00015 125 3PY 0.00220 -0.00761 -0.00230 -0.00698 -0.00008 126 3PZ -0.00240 0.01070 0.00448 0.00911 -0.00048 127 4XX 0.00011 0.00267 0.00026 0.00289 -0.00001 128 4YY -0.00066 -0.00046 0.00020 -0.00120 0.00001 129 4ZZ 0.00035 -0.00169 -0.00018 -0.00114 0.00004 130 4XY 0.00017 0.00072 -0.00020 0.00087 -0.00004 131 4XZ -0.00054 0.00134 0.00035 0.00093 -0.00006 132 4YZ -0.00091 0.00331 0.00076 0.00323 -0.00006 133 15 C 1S 0.00186 -0.00202 -0.00071 -0.00106 0.00001 134 2S -0.00303 0.00387 0.00115 0.00188 0.00011 135 2PX -0.00313 -0.00306 0.00033 -0.00408 -0.00023 136 2PY -0.00003 -0.00116 -0.00162 -0.00224 0.00013 137 2PZ -0.00422 -0.01240 -0.00184 -0.01548 -0.00034 138 3S -0.00490 0.01094 0.00656 0.00979 0.00002 139 3PX -0.00389 -0.00329 0.00066 -0.00472 -0.00005 140 3PY 0.00176 -0.00235 0.00114 0.00027 0.00001 141 3PZ -0.00420 -0.00961 -0.00144 -0.01238 -0.00015 142 4XX 0.00024 0.00020 0.00001 0.00047 0.00000 143 4YY -0.00038 0.00032 0.00003 -0.00002 0.00000 144 4ZZ 0.00034 -0.00079 -0.00026 -0.00057 0.00001 145 4XY 0.00003 -0.00069 -0.00026 -0.00057 0.00000 146 4XZ -0.00005 0.00065 0.00024 0.00062 -0.00002 147 4YZ 0.00027 -0.00023 0.00001 -0.00009 -0.00001 148 16 C 1S 0.00136 0.00006 0.00128 0.00070 0.00000 149 2S -0.00394 0.00051 -0.00240 -0.00125 0.00005 150 2PX -0.00213 -0.01063 -0.00445 -0.00981 -0.00002 151 2PY 0.00104 -0.00269 -0.00201 -0.00050 -0.00005 152 2PZ 0.00647 -0.01198 0.00018 -0.00857 -0.00016 153 3S -0.00406 0.00040 -0.01023 -0.00331 0.00038 154 3PX -0.00039 -0.00667 -0.00394 -0.00608 0.00002 155 3PY 0.00021 -0.00070 0.00011 0.00140 0.00001 156 3PZ 0.00247 -0.00963 0.00042 -0.00833 -0.00010 157 4XX 0.00068 0.00027 0.00026 0.00083 0.00000 158 4YY 0.00001 0.00010 -0.00005 0.00006 0.00001 159 4ZZ -0.00065 -0.00001 0.00014 -0.00044 -0.00004 160 4XY 0.00022 0.00001 -0.00012 0.00020 0.00001 161 4XZ 0.00053 0.00003 -0.00010 0.00039 0.00003 162 4YZ 0.00052 0.00047 0.00026 0.00087 0.00000 163 17 C 1S 0.00719 -0.00426 -0.00289 0.00133 0.00022 164 2S -0.00454 0.00545 0.00595 0.00292 -0.00049 165 2PX 0.01583 0.00627 0.00914 0.01849 -0.00018 166 2PY 0.00637 -0.00302 -0.00436 -0.00062 0.00055 167 2PZ 0.02229 -0.00736 -0.00508 0.00973 0.00092 168 3S -0.00849 -0.00349 0.00318 -0.01049 -0.00048 169 3PX 0.00636 0.00124 0.00040 0.00531 -0.00024 170 3PY 0.00087 0.00621 -0.00441 0.00506 0.00033 171 3PZ 0.01482 0.00165 -0.00012 0.01196 0.00002 172 4XX 0.00038 0.00072 -0.00041 0.00107 0.00023 173 4YY -0.00004 -0.00026 0.00039 -0.00024 -0.00007 174 4ZZ -0.00059 -0.00031 0.00006 -0.00033 -0.00010 175 4XY -0.00051 -0.00038 -0.00027 -0.00014 -0.00013 176 4XZ 0.00043 -0.00034 -0.00039 -0.00041 0.00012 177 4YZ 0.00025 0.00013 0.00134 0.00053 -0.00024 178 18 H 1S -0.00229 0.01022 -0.00446 0.01230 -0.00079 179 2S -0.00158 0.00361 -0.00610 0.00099 -0.00053 180 19 H 1S 0.00471 0.00227 0.00306 0.00661 0.00074 181 2S -0.00011 -0.00139 0.00489 0.00044 0.00083 182 20 H 1S -0.00093 -0.00268 -0.00070 -0.00307 0.00003 183 2S 0.00148 -0.00745 -0.00262 -0.00580 0.00008 184 21 H 1S 0.00143 0.00074 0.00125 0.00130 -0.00010 185 2S 0.00218 0.00146 0.00314 0.00231 -0.00025 186 22 O 1S -0.00406 0.00162 0.00053 -0.00124 0.00007 187 2S 0.00739 -0.00229 -0.00115 0.00256 -0.00009 188 2PX 0.00043 -0.00259 0.00309 0.00503 -0.00189 189 2PY 0.00451 0.00003 0.00118 0.00686 -0.00050 190 2PZ 0.01640 0.00207 0.01472 0.01746 -0.00232 191 3S 0.01264 -0.00795 0.00195 0.00329 -0.00029 192 3PX -0.00118 -0.00345 0.00211 0.00139 -0.00132 193 3PY 0.00132 0.00116 -0.00003 0.00383 -0.00031 194 3PZ 0.00836 0.00089 0.01119 0.00978 -0.00178 195 4XX -0.00027 0.00029 -0.00019 0.00006 0.00002 196 4YY -0.00055 0.00032 -0.00016 -0.00044 0.00004 197 4ZZ -0.00018 0.00030 -0.00005 0.00011 -0.00002 198 4XY -0.00055 0.00003 -0.00044 -0.00075 0.00008 199 4XZ 0.00015 -0.00010 0.00002 0.00000 -0.00001 200 4YZ -0.00133 0.00023 -0.00048 -0.00091 0.00007 201 23 O 1S 0.00272 -0.00102 -0.00164 0.00114 0.00000 202 2S -0.00647 0.00309 0.00369 -0.00254 0.00000 203 2PX -0.00309 -0.01281 0.00145 -0.01638 0.00056 204 2PY -0.00746 0.00731 0.00256 0.00180 -0.00030 205 2PZ 0.00564 -0.02765 -0.00470 -0.03117 0.00093 206 3S -0.00575 -0.00105 0.00452 -0.00492 -0.00015 207 3PX -0.00269 -0.01024 0.00183 -0.01248 0.00041 208 3PY -0.00440 0.00378 0.00194 0.00138 -0.00024 209 3PZ 0.00519 -0.02392 -0.00468 -0.02568 0.00080 210 4XX 0.00016 0.00037 -0.00010 0.00035 0.00000 211 4YY -0.00040 0.00042 0.00011 0.00025 0.00000 212 4ZZ 0.00009 -0.00021 -0.00012 -0.00024 0.00002 213 4XY -0.00011 -0.00070 0.00002 -0.00072 0.00003 214 4XZ -0.00006 -0.00001 0.00000 -0.00016 -0.00001 215 4YZ -0.00019 -0.00055 0.00006 -0.00105 0.00001 41 42 43 44 45 41 4YY 0.00112 42 4ZZ -0.00011 0.00080 43 4XY 0.00011 0.00007 0.00112 44 4XZ 0.00045 -0.00015 -0.00029 0.00077 45 4YZ 0.00001 0.00003 -0.00050 0.00029 0.00107 46 4 C 1S 0.00245 -0.00068 0.00310 0.00415 -0.00245 47 2S -0.00591 0.00089 -0.00586 -0.00779 0.00443 48 2PX -0.00620 0.00259 -0.00403 -0.00543 0.00626 49 2PY 0.01054 -0.00208 -0.00533 0.00702 0.00480 50 2PZ 0.00518 0.00936 0.00570 -0.00061 -0.00117 51 3S -0.00498 -0.00067 -0.00785 -0.00508 0.00803 52 3PX -0.00198 0.00330 -0.00115 -0.00191 0.00470 53 3PY 0.00297 0.00017 -0.00216 0.00177 -0.00037 54 3PZ 0.00213 0.00447 0.00268 -0.00090 0.00044 55 4XX -0.00018 -0.00004 -0.00013 -0.00005 -0.00038 56 4YY 0.00074 0.00006 0.00006 0.00028 0.00020 57 4ZZ -0.00004 -0.00016 0.00039 0.00018 -0.00017 58 4XY -0.00016 0.00024 0.00034 -0.00006 -0.00026 59 4XZ 0.00023 0.00013 -0.00012 0.00044 -0.00012 60 4YZ 0.00032 -0.00049 -0.00033 0.00027 0.00039 61 5 H 1S -0.00202 -0.00038 -0.00189 0.00009 0.00132 62 2S -0.00194 -0.00140 -0.00171 0.00018 0.00109 63 6 H 1S 0.00058 0.00144 -0.00576 -0.00056 0.00543 64 2S -0.00296 0.00274 -0.00542 -0.00159 0.00531 65 7 H 1S -0.00144 0.00090 0.00998 -0.00774 -0.00984 66 2S -0.00090 0.00251 0.00889 -0.00510 -0.00904 67 8 H 1S 0.00615 -0.00030 -0.00403 0.00205 0.00433 68 2S 0.00678 -0.00054 -0.00129 0.00317 0.00398 69 9 C 1S 0.00082 -0.00141 -0.00099 0.00105 0.00047 70 2S -0.00154 0.00296 0.00232 -0.00246 -0.00091 71 2PX -0.00197 0.00426 0.00209 -0.00236 -0.00075 72 2PY -0.00315 0.00379 0.00474 -0.00427 -0.00217 73 2PZ 0.00262 -0.00389 -0.00337 0.00586 0.00329 74 3S -0.00350 0.00507 0.00226 -0.00353 -0.00296 75 3PX -0.00101 0.00231 0.00052 -0.00113 -0.00075 76 3PY -0.00062 0.00191 0.00381 -0.00168 -0.00221 77 3PZ 0.00194 -0.00282 -0.00028 0.00281 0.00317 78 4XX 0.00012 -0.00022 -0.00024 0.00018 -0.00003 79 4YY 0.00006 0.00019 -0.00008 -0.00011 0.00008 80 4ZZ -0.00011 -0.00013 0.00018 0.00001 0.00011 81 4XY -0.00027 0.00029 0.00000 -0.00023 0.00042 82 4XZ 0.00003 0.00005 0.00001 0.00028 0.00018 83 4YZ 0.00037 0.00002 0.00016 0.00024 0.00010 84 10 H 1S 0.00095 -0.00214 -0.00132 0.00125 0.00026 85 2S 0.00093 -0.00190 -0.00220 0.00103 -0.00046 86 11 H 1S -0.00008 0.00024 0.00013 0.00159 0.00129 87 2S 0.00005 -0.00083 -0.00078 0.00235 0.00096 88 12 C 1S 0.00006 -0.00002 0.00032 -0.00047 0.00050 89 2S -0.00027 -0.00003 -0.00069 0.00112 -0.00061 90 2PX -0.00185 -0.00330 -0.00322 0.00314 -0.00407 91 2PY -0.00052 -0.00034 -0.00038 0.00019 -0.00096 92 2PZ -0.00067 -0.00339 -0.00259 0.00085 -0.00285 93 3S -0.00131 0.00041 -0.00141 0.00068 -0.00173 94 3PX -0.00141 -0.00265 -0.00298 0.00231 -0.00244 95 3PY 0.00013 -0.00023 -0.00091 0.00052 -0.00075 96 3PZ -0.00068 -0.00232 -0.00178 0.00091 -0.00340 97 4XX -0.00002 -0.00012 0.00009 -0.00009 0.00009 98 4YY 0.00007 0.00005 -0.00001 0.00003 0.00002 99 4ZZ -0.00001 0.00000 -0.00002 0.00002 -0.00016 100 4XY 0.00001 -0.00009 -0.00004 0.00001 -0.00006 101 4XZ -0.00004 -0.00012 -0.00001 -0.00004 -0.00002 102 4YZ 0.00006 -0.00007 -0.00002 -0.00008 -0.00002 103 13 C 1S -0.00008 -0.00022 0.00031 -0.00026 0.00020 104 2S 0.00007 0.00024 -0.00080 0.00049 -0.00046 105 2PX -0.00072 0.00043 -0.00067 0.00187 0.00069 106 2PY 0.00053 0.00044 0.00068 0.00021 0.00115 107 2PZ -0.00006 -0.00012 -0.00004 0.00133 0.00076 108 3S 0.00034 -0.00003 -0.00255 0.00121 -0.00131 109 3PX -0.00006 0.00059 0.00019 0.00130 0.00026 110 3PY 0.00066 0.00000 0.00071 0.00017 0.00086 111 3PZ -0.00041 0.00038 -0.00079 0.00105 0.00102 112 4XX 0.00005 -0.00001 0.00022 -0.00007 0.00015 113 4YY -0.00002 0.00000 -0.00006 0.00003 -0.00003 114 4ZZ -0.00004 0.00005 -0.00005 -0.00003 0.00000 115 4XY -0.00005 -0.00017 -0.00014 0.00010 -0.00024 116 4XZ 0.00002 0.00006 0.00017 -0.00003 0.00017 117 4YZ -0.00004 -0.00015 -0.00015 0.00004 -0.00022 118 14 C 1S -0.00002 0.00005 0.00002 0.00004 0.00017 119 2S 0.00002 -0.00022 -0.00004 -0.00008 -0.00061 120 2PX 0.00017 -0.00005 -0.00048 0.00006 -0.00076 121 2PY -0.00005 -0.00041 -0.00003 -0.00023 -0.00046 122 2PZ -0.00014 0.00072 -0.00004 0.00026 0.00046 123 3S 0.00026 -0.00028 0.00078 -0.00006 0.00003 124 3PX 0.00022 0.00000 0.00016 0.00020 -0.00029 125 3PY 0.00031 0.00005 0.00069 -0.00018 0.00003 126 3PZ -0.00010 0.00038 -0.00063 -0.00004 0.00003 127 4XX -0.00004 0.00000 -0.00006 0.00007 0.00000 128 4YY 0.00002 0.00002 0.00005 -0.00002 -0.00001 129 4ZZ -0.00001 0.00000 0.00002 -0.00005 -0.00003 130 4XY 0.00002 -0.00001 -0.00005 0.00003 0.00000 131 4XZ 0.00000 0.00001 0.00000 0.00003 0.00009 132 4YZ -0.00003 0.00006 0.00000 0.00007 0.00010 133 15 C 1S 0.00003 -0.00009 -0.00002 -0.00003 -0.00003 134 2S -0.00009 0.00020 0.00010 0.00005 0.00000 135 2PX -0.00010 0.00065 0.00063 -0.00025 0.00049 136 2PY 0.00013 -0.00003 -0.00012 0.00003 -0.00006 137 2PZ 0.00028 0.00063 0.00050 -0.00046 0.00046 138 3S -0.00024 0.00004 -0.00010 0.00042 0.00047 139 3PX 0.00001 0.00028 0.00032 -0.00010 0.00031 140 3PY -0.00003 -0.00012 -0.00027 -0.00001 0.00026 141 3PZ 0.00019 0.00044 0.00048 -0.00034 0.00040 142 4XX 0.00000 0.00000 -0.00002 0.00001 -0.00003 143 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 144 4ZZ 0.00000 -0.00002 0.00002 -0.00002 -0.00001 145 4XY 0.00000 0.00001 0.00000 0.00000 -0.00001 146 4XZ 0.00000 0.00000 -0.00002 0.00002 0.00001 147 4YZ 0.00000 0.00002 0.00003 -0.00002 0.00003 148 16 C 1S 0.00010 0.00001 0.00006 -0.00010 0.00010 149 2S -0.00016 0.00004 -0.00013 0.00026 -0.00016 150 2PX -0.00022 0.00040 0.00026 0.00005 -0.00010 151 2PY -0.00019 -0.00015 -0.00003 0.00014 -0.00018 152 2PZ 0.00019 0.00059 0.00075 -0.00077 0.00051 153 3S -0.00028 -0.00003 -0.00007 0.00045 -0.00098 154 3PX -0.00019 0.00035 0.00035 -0.00014 0.00000 155 3PY -0.00023 -0.00022 -0.00024 0.00033 0.00016 156 3PZ 0.00007 0.00040 0.00056 -0.00048 0.00045 157 4XX -0.00001 0.00000 -0.00002 -0.00001 -0.00003 158 4YY -0.00001 0.00000 -0.00001 0.00001 -0.00001 159 4ZZ 0.00002 0.00002 0.00003 -0.00002 0.00006 160 4XY -0.00001 -0.00003 -0.00003 0.00003 -0.00004 161 4XZ -0.00001 -0.00003 -0.00004 0.00003 -0.00004 162 4YZ -0.00001 -0.00001 -0.00001 -0.00001 0.00000 163 17 C 1S -0.00025 -0.00030 -0.00015 -0.00002 -0.00011 164 2S 0.00014 0.00056 0.00032 -0.00041 0.00036 165 2PX 0.00016 0.00039 0.00004 -0.00068 -0.00001 166 2PY -0.00007 -0.00027 -0.00028 0.00034 -0.00046 167 2PZ -0.00060 -0.00065 -0.00088 0.00060 -0.00139 168 3S 0.00062 -0.00021 0.00024 0.00008 0.00095 169 3PX 0.00009 -0.00006 -0.00006 0.00009 0.00008 170 3PY 0.00004 0.00013 0.00003 0.00006 -0.00078 171 3PZ -0.00001 0.00004 -0.00036 0.00002 -0.00091 172 4XX -0.00006 -0.00018 -0.00019 0.00013 -0.00019 173 4YY 0.00001 0.00006 0.00004 -0.00005 0.00010 174 4ZZ -0.00001 0.00011 0.00009 -0.00005 0.00009 175 4XY 0.00001 0.00011 0.00007 -0.00001 0.00007 176 4XZ 0.00002 -0.00010 -0.00006 0.00002 -0.00008 177 4YZ 0.00006 0.00016 0.00016 -0.00013 0.00026 178 18 H 1S -0.00044 0.00073 0.00010 0.00089 -0.00038 179 2S -0.00019 0.00068 0.00090 0.00043 -0.00059 180 19 H 1S -0.00036 -0.00004 -0.00096 -0.00003 -0.00088 181 2S -0.00052 -0.00005 -0.00074 -0.00021 -0.00007 182 20 H 1S 0.00004 -0.00004 -0.00005 -0.00001 -0.00011 183 2S 0.00005 -0.00023 -0.00015 0.00000 -0.00021 184 21 H 1S 0.00005 0.00006 0.00017 -0.00021 0.00019 185 2S 0.00014 0.00017 0.00035 -0.00043 0.00043 186 22 O 1S 0.00005 0.00005 0.00000 0.00008 -0.00004 187 2S -0.00002 0.00002 0.00001 -0.00019 0.00005 188 2PX 0.00010 0.00176 0.00112 -0.00069 0.00130 189 2PY -0.00011 0.00014 0.00010 -0.00021 0.00026 190 2PZ 0.00026 0.00166 0.00142 -0.00126 0.00232 191 3S -0.00032 -0.00008 -0.00016 -0.00036 0.00049 192 3PX 0.00002 0.00126 0.00082 -0.00053 0.00102 193 3PY 0.00006 0.00011 0.00010 -0.00007 0.00013 194 3PZ 0.00023 0.00125 0.00116 -0.00097 0.00198 195 4XX 0.00002 -0.00001 -0.00001 0.00002 -0.00003 196 4YY 0.00001 0.00001 0.00002 0.00001 -0.00004 197 4ZZ 0.00001 0.00003 0.00003 -0.00001 0.00000 198 4XY 0.00000 -0.00009 -0.00005 0.00006 -0.00006 199 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 200 4YZ 0.00001 -0.00005 -0.00004 0.00004 -0.00006 201 23 O 1S -0.00003 -0.00006 -0.00003 -0.00001 -0.00002 202 2S 0.00004 0.00015 0.00002 0.00006 0.00007 203 2PX 0.00014 0.00021 0.00078 -0.00033 -0.00037 204 2PY 0.00014 0.00026 0.00017 0.00015 0.00038 205 2PZ 0.00014 -0.00070 -0.00033 -0.00057 -0.00145 206 3S 0.00027 0.00024 0.00038 -0.00008 0.00005 207 3PX 0.00010 0.00016 0.00064 -0.00030 -0.00017 208 3PY 0.00015 0.00018 0.00017 0.00006 0.00022 209 3PZ 0.00013 -0.00061 -0.00009 -0.00045 -0.00106 210 4XX -0.00002 0.00000 -0.00002 0.00001 0.00001 211 4YY 0.00000 0.00000 -0.00001 0.00001 0.00001 212 4ZZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 213 4XY 0.00001 0.00001 0.00002 -0.00001 -0.00004 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 215 4YZ 0.00001 0.00000 0.00000 -0.00002 -0.00004 46 47 48 49 50 46 4 C 1S 2.05588 47 2S -0.06347 0.33136 48 2PX -0.00188 0.00585 0.36493 49 2PY -0.00383 -0.00245 -0.01259 0.42724 50 2PZ -0.00083 0.00299 -0.05574 0.00473 0.35262 51 3S -0.20651 0.31272 -0.02760 0.02673 -0.02525 52 3PX 0.00614 -0.01452 0.19121 0.01420 0.03487 53 3PY 0.01021 0.00362 -0.00868 0.13562 0.00838 54 3PZ 0.00534 -0.00134 0.02110 0.00760 0.16583 55 4XX -0.01198 -0.01143 0.01109 -0.00331 -0.00456 56 4YY -0.01922 0.00304 -0.00899 0.01392 0.00980 57 4ZZ -0.01278 -0.00997 -0.00512 -0.00565 -0.00433 58 4XY 0.00142 -0.00304 -0.00718 -0.00491 0.00270 59 4XZ 0.00284 -0.00630 -0.00562 0.00313 0.00386 60 4YZ -0.00101 0.00194 0.00287 0.01289 -0.00898 61 5 H 1S -0.00895 0.02085 -0.01221 -0.02911 0.00808 62 2S -0.01155 0.02975 -0.03652 -0.05780 -0.00213 63 6 H 1S -0.00892 0.02090 0.02527 -0.01547 -0.01355 64 2S -0.01359 0.02920 0.05793 -0.02838 -0.02455 65 7 H 1S 0.01289 -0.02687 -0.03861 -0.00372 0.02926 66 2S 0.01717 -0.02960 -0.07837 -0.01894 0.05448 67 8 H 1S -0.06339 0.11899 -0.04898 0.25521 0.05992 68 2S -0.01474 0.02691 -0.01754 0.20899 0.05506 69 9 C 1S 0.01239 -0.02252 0.02049 0.04745 -0.03706 70 2S -0.02352 0.04064 -0.04682 -0.09464 0.07546 71 2PX -0.01370 0.02561 0.00589 -0.04870 0.06089 72 2PY -0.05293 0.11431 -0.08426 -0.17874 0.17360 73 2PZ 0.04216 -0.08692 0.07960 0.13634 -0.08152 74 3S 0.00484 0.01016 -0.02402 -0.11341 0.07383 75 3PX -0.00078 0.00570 0.01762 -0.02014 0.03020 76 3PY -0.00832 0.02930 -0.04888 -0.08053 0.09345 77 3PZ 0.00745 -0.02434 0.02088 0.05972 -0.04275 78 4XX 0.00201 -0.00424 0.00658 0.00374 -0.00424 79 4YY -0.00355 0.00604 -0.00459 0.00468 0.00594 80 4ZZ -0.00031 -0.00008 0.00112 -0.00241 -0.00544 81 4XY -0.00221 0.00436 0.00845 -0.00456 0.00719 82 4XZ 0.00203 -0.00388 -0.00382 0.00486 0.00064 83 4YZ 0.00495 -0.01002 0.00632 0.00988 -0.00069 84 10 H 1S 0.00787 -0.01726 0.01653 0.01558 -0.02926 85 2S 0.01093 -0.01961 0.04844 0.02670 -0.03364 86 11 H 1S 0.00924 -0.02396 0.01836 0.01690 -0.00363 87 2S 0.01403 -0.03102 0.01334 0.03576 -0.02834 88 12 C 1S -0.00219 0.00171 0.00623 0.00161 0.00550 89 2S 0.00203 -0.01398 -0.00577 0.00146 -0.00901 90 2PX -0.00550 0.00685 -0.09400 -0.01402 -0.07591 91 2PY 0.00058 -0.00215 -0.01782 -0.01101 -0.01524 92 2PZ -0.00731 0.01154 -0.08418 -0.01057 -0.09388 93 3S 0.01382 0.00283 -0.01791 -0.01923 0.00294 94 3PX 0.00214 -0.00357 -0.05487 -0.00742 -0.07226 95 3PY 0.00408 -0.01196 0.00248 0.01152 -0.01413 96 3PZ 0.00083 0.00779 -0.07719 -0.01177 -0.06000 97 4XX -0.00105 0.00174 -0.00071 -0.00089 -0.00358 98 4YY -0.00018 -0.00110 0.00191 0.00182 0.00143 99 4ZZ -0.00061 0.00031 -0.00310 -0.00148 0.00071 100 4XY -0.00072 0.00165 -0.00283 0.00076 -0.00181 101 4XZ -0.00107 0.00311 -0.00443 -0.00126 -0.00248 102 4YZ -0.00083 0.00180 -0.00284 0.00050 -0.00250 103 13 C 1S -0.00138 0.00437 -0.00315 -0.00497 -0.00052 104 2S 0.00253 -0.00366 0.00497 0.00682 0.00329 105 2PX 0.00949 -0.02429 0.02520 0.01736 0.01188 106 2PY 0.00180 -0.00626 0.01756 0.01273 0.01603 107 2PZ 0.00909 -0.02179 0.02282 0.01634 0.00966 108 3S 0.00499 -0.02606 0.02359 0.03919 -0.01840 109 3PX 0.00828 -0.02023 0.01785 0.01730 0.02271 110 3PY 0.00116 -0.00858 0.00607 0.01190 0.00137 111 3PZ 0.00706 -0.02280 0.03727 0.01643 0.00765 112 4XX -0.00030 0.00071 0.00033 -0.00050 0.00042 113 4YY 0.00008 -0.00004 -0.00010 -0.00007 -0.00024 114 4ZZ -0.00017 0.00036 0.00065 -0.00033 0.00098 115 4XY -0.00035 0.00037 -0.00478 -0.00108 -0.00404 116 4XZ 0.00011 -0.00032 0.00159 0.00031 0.00206 117 4YZ -0.00041 0.00049 -0.00437 -0.00093 -0.00447 118 14 C 1S 0.00056 -0.00121 0.00340 0.00124 0.00207 119 2S -0.00120 0.00285 -0.01021 -0.00432 -0.00746 120 2PX 0.00080 0.00142 -0.00147 0.00079 -0.00417 121 2PY -0.00124 0.00433 -0.01044 -0.00491 -0.00707 122 2PZ 0.00310 -0.00735 0.02074 0.00873 0.01612 123 3S -0.00158 0.00600 -0.01740 -0.00717 0.00617 124 3PX 0.00117 -0.00093 -0.00523 -0.00145 0.00552 125 3PY -0.00182 0.00563 -0.00365 0.00156 0.00606 126 3PZ 0.00067 -0.00123 0.01495 0.00599 0.00566 127 4XX 0.00057 -0.00098 0.00081 0.00036 0.00043 128 4YY 0.00008 0.00019 -0.00040 -0.00025 0.00029 129 4ZZ -0.00023 0.00075 -0.00078 -0.00058 -0.00058 130 4XY 0.00029 -0.00059 0.00095 0.00068 0.00043 131 4XZ 0.00028 -0.00067 0.00160 0.00070 0.00072 132 4YZ 0.00058 -0.00129 0.00261 0.00118 0.00161 133 15 C 1S 0.00004 0.00024 -0.00001 -0.00017 -0.00100 134 2S -0.00036 0.00026 -0.00137 -0.00040 0.00290 135 2PX -0.00020 0.00217 0.00908 0.00102 0.01207 136 2PY -0.00058 0.00109 -0.00280 0.00071 -0.00201 137 2PZ -0.00074 0.00434 0.01031 0.00217 0.01056 138 3S 0.00350 -0.01065 0.00889 0.00380 -0.00513 139 3PX 0.00079 -0.00045 0.00491 0.00175 0.00320 140 3PY 0.00049 -0.00219 0.00536 0.00275 -0.00697 141 3PZ -0.00196 0.00539 0.00536 0.00222 0.00827 142 4XX 0.00014 -0.00020 0.00015 0.00008 -0.00016 143 4YY 0.00001 -0.00010 0.00003 0.00005 0.00018 144 4ZZ -0.00011 0.00030 -0.00059 -0.00033 -0.00027 145 4XY 0.00005 0.00012 -0.00002 -0.00017 -0.00001 146 4XZ 0.00009 -0.00022 0.00062 0.00036 0.00013 147 4YZ -0.00002 0.00001 0.00022 -0.00010 0.00034 148 16 C 1S 0.00011 -0.00011 0.00092 0.00064 -0.00015 149 2S 0.00061 -0.00051 -0.00056 -0.00066 -0.00003 150 2PX 0.00046 0.00204 0.00238 -0.00368 0.00493 151 2PY 0.00055 -0.00017 -0.00031 -0.00156 -0.00051 152 2PZ -0.00024 0.00213 0.00642 -0.00319 0.00730 153 3S -0.00447 0.00919 -0.01942 -0.01023 0.00946 154 3PX -0.00235 0.00619 -0.00102 -0.00539 0.00873 155 3PY 0.00081 -0.00505 0.00496 0.00090 -0.00687 156 3PZ 0.00076 0.00007 0.00685 -0.00242 0.00323 157 4XX 0.00030 -0.00043 0.00017 -0.00032 -0.00061 158 4YY 0.00003 -0.00001 -0.00026 0.00002 0.00000 159 4ZZ 0.00013 0.00002 0.00094 0.00044 0.00072 160 4XY 0.00006 -0.00019 -0.00049 -0.00025 -0.00062 161 4XZ 0.00001 -0.00006 -0.00062 0.00003 -0.00056 162 4YZ 0.00016 -0.00035 0.00001 -0.00020 -0.00030 163 17 C 1S -0.00136 0.00342 -0.00461 0.00026 -0.00036 164 2S 0.00291 -0.00666 0.01563 -0.00254 0.00200 165 2PX 0.00504 -0.01265 0.00602 -0.00777 -0.01040 166 2PY -0.00171 0.00175 -0.01170 -0.00197 -0.00275 167 2PZ 0.00135 -0.00214 -0.02295 -0.00875 -0.01907 168 3S 0.00388 -0.00966 0.00580 0.00777 -0.00870 169 3PX 0.00155 -0.00923 0.00139 -0.00454 -0.00455 170 3PY -0.00137 0.00999 -0.02081 -0.00169 0.01380 171 3PZ 0.00324 -0.00500 -0.00652 -0.00257 -0.00212 172 4XX -0.00072 0.00069 -0.00499 0.00018 -0.00423 173 4YY -0.00005 -0.00011 0.00236 0.00016 0.00095 174 4ZZ -0.00006 0.00028 0.00253 -0.00022 0.00263 175 4XY 0.00032 -0.00044 0.00246 -0.00022 0.00248 176 4XZ -0.00062 0.00118 -0.00309 0.00033 -0.00156 177 4YZ 0.00055 -0.00090 0.00507 0.00076 0.00349 178 18 H 1S 0.00454 -0.01158 0.00920 -0.00213 0.02062 179 2S 0.00361 -0.00775 -0.00274 -0.00487 0.02496 180 19 H 1S -0.00158 0.00449 -0.01094 -0.00486 -0.01167 181 2S -0.00255 0.00427 -0.00741 -0.00757 -0.01515 182 20 H 1S -0.00010 0.00050 -0.00128 -0.00069 -0.00120 183 2S -0.00006 0.00073 -0.00297 -0.00146 -0.00545 184 21 H 1S 0.00024 -0.00040 0.00237 -0.00035 0.00135 185 2S -0.00025 0.00095 0.00527 0.00077 0.00440 186 22 O 1S -0.00019 0.00028 -0.00148 0.00181 0.00029 187 2S 0.00108 -0.00053 0.00084 -0.00453 0.00116 188 2PX 0.00677 -0.01462 0.04253 -0.01206 0.02660 189 2PY 0.00171 -0.00124 0.00639 -0.00043 0.00376 190 2PZ 0.00658 -0.01323 0.05132 0.00223 0.03228 191 3S -0.00118 -0.00582 0.01868 -0.00657 -0.01053 192 3PX 0.00374 -0.00786 0.03153 -0.00786 0.01944 193 3PY 0.00170 0.00017 0.00019 0.00155 0.00543 194 3PZ 0.00415 -0.00879 0.04076 0.00289 0.02474 195 4XX 0.00028 0.00037 -0.00151 0.00056 0.00028 196 4YY 0.00030 0.00014 -0.00096 -0.00050 0.00042 197 4ZZ 0.00054 0.00011 -0.00032 0.00004 0.00125 198 4XY -0.00037 0.00084 -0.00214 0.00084 -0.00074 199 4XZ -0.00004 0.00006 -0.00009 0.00030 0.00005 200 4YZ -0.00027 0.00066 -0.00154 0.00026 -0.00063 201 23 O 1S -0.00011 0.00021 -0.00057 -0.00070 -0.00022 202 2S 0.00048 -0.00094 0.00105 0.00114 0.00031 203 2PX -0.00182 0.00683 -0.01243 -0.00553 -0.00511 204 2PY 0.00067 -0.00327 0.00712 0.00369 0.00549 205 2PZ -0.00585 0.01209 -0.03065 -0.01292 -0.02075 206 3S -0.00064 0.00183 0.00418 0.00617 0.00327 207 3PX -0.00159 0.00518 -0.00805 -0.00351 -0.00402 208 3PY 0.00031 -0.00188 0.00620 0.00431 0.00380 209 3PZ -0.00465 0.00982 -0.02597 -0.01102 -0.01675 210 4XX 0.00012 -0.00011 -0.00001 -0.00039 0.00009 211 4YY 0.00006 -0.00033 0.00020 0.00011 -0.00013 212 4ZZ 0.00000 0.00009 -0.00054 -0.00045 -0.00035 213 4XY -0.00007 0.00032 -0.00042 -0.00010 -0.00038 214 4XZ -0.00001 0.00004 0.00013 0.00001 0.00013 215 4YZ -0.00015 0.00028 -0.00065 -0.00028 -0.00029 51 52 53 54 55 51 3S 0.34826 52 3PX -0.02863 0.12345 53 3PY -0.00098 -0.00060 0.05500 54 3PZ -0.01743 0.04274 0.00415 0.08841 55 4XX -0.01294 0.00519 0.00008 -0.00041 0.00154 56 4YY 0.00628 -0.00208 0.00352 0.00334 -0.00081 57 4ZZ -0.00800 -0.00349 -0.00209 -0.00282 0.00022 58 4XY -0.00332 -0.00275 -0.00110 0.00016 -0.00001 59 4XZ -0.00569 -0.00165 0.00176 0.00100 0.00009 60 4YZ 0.00441 0.00057 0.00286 -0.00322 -0.00006 61 5 H 1S 0.04281 -0.01646 -0.01299 0.01188 -0.00009 62 2S 0.05261 -0.03535 -0.02475 0.00168 -0.00140 63 6 H 1S 0.04296 0.02338 -0.00293 -0.01060 -0.00009 64 2S 0.04959 0.03988 -0.00922 -0.01230 0.00043 65 7 H 1S -0.05788 -0.02140 0.00933 0.01195 0.00248 66 2S -0.05989 -0.03823 0.00846 0.01559 0.00025 67 8 H 1S 0.13648 -0.00946 0.07951 0.02550 -0.00857 68 2S 0.04306 0.01126 0.05456 0.02621 -0.00561 69 9 C 1S -0.00121 0.00107 0.01027 -0.00275 0.00197 70 2S 0.02020 -0.00793 -0.02774 0.01298 -0.00497 71 2PX 0.02819 0.00323 -0.01176 0.01871 -0.00769 72 2PY 0.07463 -0.04034 -0.04571 0.08014 -0.00363 73 2PZ -0.09527 0.02687 0.04875 -0.02725 0.00562 74 3S -0.02468 0.00393 -0.02365 0.01055 -0.00145 75 3PX -0.00055 0.00695 -0.00044 0.01148 -0.00249 76 3PY 0.00571 -0.02095 -0.01963 0.04240 -0.00141 77 3PZ -0.01528 0.00289 0.01042 -0.01664 -0.00079 78 4XX -0.00672 0.00246 0.00200 -0.00108 0.00070 79 4YY 0.00846 -0.00170 0.00116 0.00276 -0.00050 80 4ZZ -0.00006 -0.00013 -0.00112 -0.00269 -0.00015 81 4XY 0.00361 0.00634 -0.00210 0.00496 0.00008 82 4XZ -0.00170 -0.00124 0.00136 -0.00037 -0.00026 83 4YZ -0.00934 0.00529 0.00247 0.00051 0.00027 84 10 H 1S -0.03687 0.00848 0.00796 -0.01133 0.00497 85 2S -0.04455 0.01891 0.01766 -0.00531 0.00637 86 11 H 1S -0.03165 0.00839 0.00939 -0.00847 -0.00180 87 2S -0.03246 0.00469 0.01610 -0.01497 0.00055 88 12 C 1S 0.01599 -0.00175 -0.00381 -0.00314 -0.00129 89 2S -0.01073 0.00447 -0.00250 0.00128 0.00225 90 2PX -0.00311 -0.05779 0.00800 -0.05632 0.00173 91 2PY -0.01239 -0.01569 0.01863 -0.00853 0.00209 92 2PZ 0.01790 -0.06835 0.00622 -0.05215 0.00414 93 3S -0.00436 -0.00234 0.00873 0.01416 0.00430 94 3PX -0.00432 -0.03930 0.00559 -0.04660 0.00214 95 3PY -0.01641 -0.00220 0.01046 -0.00819 0.00189 96 3PZ 0.00596 -0.05621 0.00928 -0.03786 0.00262 97 4XX 0.00293 -0.00136 -0.00047 -0.00205 -0.00025 98 4YY -0.00112 0.00130 0.00007 0.00093 0.00004 99 4ZZ -0.00104 -0.00190 0.00048 -0.00023 0.00002 100 4XY 0.00142 -0.00243 0.00020 -0.00165 -0.00033 101 4XZ 0.00442 -0.00321 -0.00073 -0.00197 -0.00031 102 4YZ 0.00285 -0.00372 -0.00009 -0.00144 -0.00019 103 13 C 1S -0.00204 -0.00196 0.00255 -0.00021 -0.00061 104 2S -0.00498 0.00329 0.00104 0.00214 0.00105 105 2PX -0.02385 0.03415 0.00745 0.01414 0.00574 106 2PY 0.00561 0.02262 -0.01962 0.01360 -0.00133 107 2PZ -0.03620 0.04063 0.00690 0.00862 0.00424 108 3S -0.03013 0.01035 0.01258 -0.01339 0.00341 109 3PX -0.02537 0.02736 0.00766 0.01665 0.00381 110 3PY -0.00052 0.00683 -0.00961 -0.00028 -0.00158 111 3PZ -0.03115 0.04063 0.00803 0.00951 0.00426 112 4XX 0.00082 0.00024 -0.00046 0.00030 -0.00024 113 4YY 0.00020 0.00010 -0.00049 0.00001 0.00005 114 4ZZ 0.00037 0.00047 0.00053 0.00063 0.00011 115 4XY -0.00045 -0.00315 0.00040 -0.00310 0.00004 116 4XZ 0.00022 0.00233 -0.00099 0.00139 -0.00009 117 4YZ 0.00088 -0.00400 0.00043 -0.00262 0.00019 118 14 C 1S -0.00022 0.00341 -0.00030 0.00217 0.00040 119 2S -0.00031 -0.00941 0.00189 -0.00671 -0.00055 120 2PX -0.01433 -0.00069 0.01152 -0.00639 0.00023 121 2PY -0.00282 -0.01262 0.00821 -0.00386 -0.00048 122 2PZ -0.00300 0.01882 0.00303 0.01383 0.00140 123 3S 0.00526 -0.00968 -0.00125 0.00081 -0.00164 124 3PX -0.00541 -0.00099 0.00135 0.00038 -0.00014 125 3PY 0.00367 -0.00209 -0.00127 0.00238 -0.00108 126 3PZ -0.00125 0.00983 0.00394 0.00521 0.00098 127 4XX -0.00146 0.00108 0.00051 0.00027 0.00029 128 4YY 0.00080 -0.00014 -0.00093 0.00007 -0.00011 129 4ZZ 0.00052 -0.00120 0.00055 -0.00010 -0.00012 130 4XY -0.00092 0.00134 0.00002 0.00020 0.00008 131 4XZ -0.00056 0.00182 -0.00026 0.00063 0.00011 132 4YZ -0.00228 0.00312 0.00120 0.00200 0.00033 133 15 C 1S -0.00218 -0.00017 0.00066 -0.00121 -0.00005 134 2S 0.00447 -0.00121 0.00005 0.00342 -0.00002 135 2PX -0.00184 0.00786 0.00997 0.01491 -0.00056 136 2PY 0.00360 -0.00195 -0.00015 -0.00226 -0.00033 137 2PZ -0.00386 0.01071 0.00872 0.01193 -0.00131 138 3S -0.00372 0.00579 0.00731 0.00774 0.00138 139 3PX -0.00197 0.00439 0.00707 0.00703 -0.00037 140 3PY -0.00023 0.00203 0.00435 0.00018 0.00023 141 3PZ 0.00212 0.00706 0.00608 0.00885 -0.00126 142 4XX -0.00084 0.00015 0.00048 -0.00004 0.00007 143 4YY 0.00011 0.00016 -0.00025 -0.00006 -0.00001 144 4ZZ 0.00037 -0.00060 -0.00024 -0.00030 -0.00007 145 4XY -0.00067 0.00013 0.00014 -0.00010 -0.00004 146 4XZ -0.00030 0.00055 0.00014 0.00019 0.00007 147 4YZ -0.00006 0.00011 0.00034 0.00082 -0.00001 148 16 C 1S 0.00069 -0.00062 0.00193 0.00238 0.00020 149 2S -0.00457 0.00229 -0.00310 -0.00537 -0.00027 150 2PX -0.01399 0.00442 0.00482 0.00157 -0.00078 151 2PY -0.00857 0.00179 -0.00082 -0.00383 0.00000 152 2PZ -0.00471 0.00082 0.00838 0.01735 -0.00057 153 3S -0.00443 -0.00564 -0.01143 -0.01310 -0.00132 154 3PX -0.00569 0.00246 0.00230 0.00385 -0.00083 155 3PY -0.00604 0.00383 0.00252 -0.00153 0.00031 156 3PZ -0.00252 0.00271 0.00462 0.01044 -0.00051 157 4XX -0.00130 -0.00026 0.00012 -0.00009 0.00015 158 4YY 0.00049 -0.00024 0.00010 0.00022 -0.00002 159 4ZZ 0.00076 0.00086 -0.00005 0.00045 -0.00007 160 4XY -0.00035 -0.00049 -0.00044 -0.00083 0.00004 161 4XZ -0.00023 -0.00057 0.00023 -0.00025 0.00003 162 4YZ -0.00044 -0.00051 -0.00055 -0.00027 0.00008 163 17 C 1S -0.00371 -0.00522 0.00388 -0.00102 -0.00088 164 2S -0.00012 0.00885 -0.00114 0.00612 0.00152 165 2PX -0.02680 -0.01253 -0.00130 0.00399 0.00360 166 2PY 0.01249 -0.01094 -0.00159 0.00073 -0.00099 167 2PZ -0.03183 -0.02535 -0.00027 -0.01375 0.00137 168 3S 0.00325 0.00164 -0.00059 -0.00178 0.00045 169 3PX -0.01674 -0.00539 -0.00374 -0.00143 0.00116 170 3PY 0.00368 -0.00850 0.00422 0.00399 -0.00033 171 3PZ -0.02075 -0.01175 0.00167 0.00002 0.00153 172 4XX 0.00060 -0.00304 0.00101 -0.00296 0.00018 173 4YY 0.00008 0.00113 -0.00117 0.00074 -0.00009 174 4ZZ -0.00093 0.00222 0.00014 0.00149 -0.00012 175 4XY -0.00273 0.00126 -0.00186 -0.00033 -0.00014 176 4XZ 0.00185 -0.00220 0.00025 -0.00119 -0.00006 177 4YZ -0.00094 0.00259 -0.00046 0.00350 0.00004 178 18 H 1S -0.02325 0.01705 0.00468 0.00976 0.00033 179 2S -0.02170 0.00906 0.00254 0.00713 -0.00076 180 19 H 1S 0.00849 -0.01954 0.00611 -0.00674 0.00074 181 2S 0.01079 -0.01494 0.00418 -0.00641 0.00049 182 20 H 1S -0.00134 -0.00040 -0.00146 -0.00242 -0.00021 183 2S -0.00305 -0.00268 -0.00138 -0.00654 -0.00043 184 21 H 1S 0.00006 0.00064 -0.00098 0.00285 0.00013 185 2S 0.00211 0.00180 0.00112 0.00736 0.00030 186 22 O 1S 0.00539 0.00134 0.00306 0.00104 0.00007 187 2S -0.00709 -0.00499 -0.00752 -0.00132 -0.00037 188 2PX -0.04732 0.01494 -0.03252 0.00074 0.00005 189 2PY -0.02927 0.00199 -0.00191 -0.00436 0.00061 190 2PZ -0.02953 0.01997 -0.00175 0.03813 0.00192 191 3S -0.01885 0.00055 -0.01197 -0.00682 0.00007 192 3PX -0.02998 0.01243 -0.02331 0.00020 -0.00036 193 3PY -0.01540 -0.00010 -0.00053 -0.00135 0.00019 194 3PZ -0.01711 0.01810 -0.00200 0.02829 0.00103 195 4XX 0.00005 -0.00072 0.00032 -0.00020 -0.00001 196 4YY 0.00212 -0.00011 0.00023 0.00056 -0.00003 197 4ZZ -0.00032 0.00015 0.00021 0.00066 -0.00002 198 4XY 0.00253 -0.00031 0.00138 -0.00019 -0.00010 199 4XZ -0.00014 -0.00026 -0.00009 0.00002 0.00000 200 4YZ 0.00207 -0.00007 0.00019 -0.00113 -0.00012 201 23 O 1S -0.00056 -0.00044 0.00039 -0.00027 -0.00002 202 2S 0.00135 0.00154 -0.00156 0.00028 0.00003 203 2PX 0.00139 -0.01369 0.00280 -0.00344 -0.00122 204 2PY 0.00251 0.01065 -0.00890 0.00242 -0.00002 205 2PZ 0.02649 -0.03503 -0.01186 -0.02332 -0.00285 206 3S 0.00031 0.00215 0.00086 0.00244 -0.00035 207 3PX 0.00260 -0.00986 0.00109 -0.00225 -0.00099 208 3PY 0.00022 0.00745 -0.00427 0.00203 -0.00003 209 3PZ 0.02026 -0.02846 -0.00946 -0.01842 -0.00240 210 4XX -0.00011 0.00007 0.00006 0.00009 0.00005 211 4YY 0.00005 0.00045 -0.00046 -0.00016 0.00001 212 4ZZ 0.00032 -0.00047 -0.00004 -0.00024 -0.00001 213 4XY -0.00029 -0.00053 0.00043 -0.00035 -0.00005 214 4XZ 0.00016 0.00010 -0.00011 0.00007 -0.00001 215 4YZ 0.00102 -0.00087 -0.00046 -0.00054 -0.00009 56 57 58 59 60 56 4YY 0.00174 57 4ZZ -0.00043 0.00111 58 4XY -0.00010 0.00025 0.00062 59 4XZ 0.00020 0.00008 0.00005 0.00068 60 4YZ 0.00029 -0.00027 -0.00046 -0.00010 0.00095 61 5 H 1S -0.00369 0.00170 -0.00058 -0.00092 -0.00042 62 2S -0.00398 0.00255 -0.00069 -0.00156 -0.00061 63 6 H 1S -0.00184 -0.00045 0.00181 0.00009 -0.00180 64 2S -0.00218 -0.00148 0.00159 -0.00035 -0.00196 65 7 H 1S -0.00235 0.00349 0.00496 -0.00238 -0.00423 66 2S -0.00069 0.00325 0.00590 -0.00011 -0.00553 67 8 H 1S 0.01352 -0.00743 -0.00359 0.00054 0.00746 68 2S 0.01161 -0.00495 -0.00315 0.00096 0.00642 69 9 C 1S -0.00265 -0.00113 -0.00236 0.00125 0.00514 70 2S 0.00463 0.00172 0.00467 -0.00242 -0.00961 71 2PX 0.00327 0.00244 -0.00428 0.00654 -0.00465 72 2PY -0.00682 0.00305 0.00320 -0.00182 -0.00847 73 2PZ -0.00833 0.01001 -0.00474 0.00062 0.00352 74 3S 0.00116 0.00223 0.00649 -0.00161 -0.01206 75 3PX 0.00081 0.00101 -0.00250 0.00317 -0.00239 76 3PY -0.00284 0.00211 0.00205 -0.00034 -0.00439 77 3PZ -0.00182 0.00499 -0.00260 -0.00109 0.00266 78 4XX -0.00051 0.00016 -0.00010 -0.00025 0.00014 79 4YY 0.00060 -0.00049 -0.00005 0.00009 0.00016 80 4ZZ -0.00019 0.00036 -0.00011 0.00009 0.00008 81 4XY -0.00025 -0.00016 -0.00008 -0.00017 -0.00015 82 4XZ -0.00007 0.00065 -0.00010 0.00052 -0.00009 83 4YZ 0.00048 -0.00015 -0.00008 0.00019 0.00029 84 10 H 1S -0.00263 0.00063 0.00275 -0.00505 -0.00003 85 2S -0.00351 -0.00087 0.00026 -0.00360 0.00169 86 11 H 1S -0.00181 0.00740 -0.00218 0.00249 -0.00300 87 2S -0.00312 0.00601 -0.00230 0.00373 -0.00017 88 12 C 1S 0.00043 -0.00073 -0.00010 -0.00116 0.00010 89 2S -0.00208 0.00042 0.00034 0.00307 0.00021 90 2PX -0.00353 0.00380 0.00145 0.00573 0.00087 91 2PY -0.00136 0.00071 -0.00104 0.00240 -0.00149 92 2PZ -0.00324 0.00031 0.00123 0.00370 0.00138 93 3S -0.00466 0.00026 0.00070 0.00475 -0.00120 94 3PX -0.00315 0.00258 0.00052 0.00385 0.00098 95 3PY -0.00057 -0.00013 -0.00067 0.00166 -0.00003 96 3PZ -0.00280 0.00123 0.00123 0.00339 0.00022 97 4XX 0.00007 0.00008 -0.00005 -0.00027 0.00006 98 4YY 0.00007 -0.00005 -0.00002 0.00000 0.00006 99 4ZZ 0.00002 0.00004 0.00005 0.00009 -0.00012 100 4XY 0.00009 0.00013 -0.00001 -0.00015 0.00003 101 4XZ 0.00011 0.00001 0.00011 -0.00016 0.00005 102 4YZ 0.00011 -0.00006 -0.00003 -0.00021 0.00004 103 13 C 1S 0.00000 0.00029 -0.00031 -0.00050 -0.00040 104 2S -0.00032 -0.00014 0.00029 0.00081 0.00049 105 2PX -0.00179 -0.00093 0.00060 0.00515 0.00108 106 2PY 0.00057 -0.00060 0.00101 -0.00091 0.00134 107 2PZ -0.00177 0.00025 0.00046 0.00443 0.00110 108 3S -0.00018 -0.00080 -0.00040 0.00209 0.00129 109 3PX -0.00131 -0.00021 0.00032 0.00373 0.00051 110 3PY 0.00144 -0.00016 0.00032 -0.00107 0.00082 111 3PZ -0.00149 -0.00033 0.00002 0.00348 0.00073 112 4XX 0.00010 0.00007 -0.00003 -0.00016 0.00000 113 4YY -0.00011 0.00001 0.00000 0.00006 0.00002 114 4ZZ 0.00006 -0.00013 -0.00001 0.00002 -0.00005 115 4XY -0.00012 0.00016 0.00004 0.00021 0.00001 116 4XZ 0.00013 -0.00008 0.00007 -0.00005 0.00004 117 4YZ -0.00012 -0.00001 0.00007 0.00014 0.00002 118 14 C 1S 0.00013 -0.00010 0.00015 0.00006 0.00015 119 2S -0.00020 0.00055 -0.00031 0.00012 -0.00034 120 2PX -0.00020 0.00088 -0.00052 0.00022 -0.00016 121 2PY 0.00012 0.00081 -0.00018 0.00004 -0.00031 122 2PZ -0.00015 -0.00069 -0.00016 0.00114 0.00025 123 3S 0.00012 0.00103 -0.00012 -0.00036 -0.00045 124 3PX 0.00013 0.00038 -0.00011 0.00019 -0.00009 125 3PY 0.00005 0.00044 -0.00010 -0.00043 -0.00001 126 3PZ -0.00024 -0.00058 -0.00034 0.00036 0.00004 127 4XX -0.00012 -0.00001 0.00002 0.00025 0.00001 128 4YY 0.00003 -0.00002 0.00005 -0.00009 0.00001 129 4ZZ 0.00007 0.00002 -0.00001 -0.00011 -0.00003 130 4XY -0.00005 0.00000 0.00000 0.00007 0.00002 131 4XZ -0.00002 -0.00005 0.00002 0.00005 0.00005 132 4YZ -0.00006 -0.00008 0.00001 0.00028 0.00006 133 15 C 1S -0.00004 0.00010 -0.00002 -0.00021 0.00002 134 2S 0.00005 -0.00009 -0.00001 0.00051 -0.00007 135 2PX 0.00072 0.00008 -0.00046 0.00013 -0.00001 136 2PY 0.00004 0.00011 0.00005 -0.00003 0.00005 137 2PZ 0.00096 0.00032 -0.00063 -0.00088 0.00005 138 3S 0.00021 -0.00043 0.00015 0.00110 0.00039 139 3PX 0.00070 0.00002 -0.00024 -0.00006 0.00011 140 3PY 0.00006 -0.00004 -0.00007 -0.00002 0.00018 141 3PZ 0.00078 0.00026 -0.00038 -0.00067 0.00005 142 4XX -0.00003 0.00001 -0.00001 0.00004 0.00000 143 4YY 0.00000 0.00000 -0.00001 0.00003 0.00000 144 4ZZ 0.00001 0.00002 0.00000 -0.00005 -0.00001 145 4XY 0.00002 0.00004 -0.00001 -0.00004 0.00000 146 4XZ -0.00002 -0.00003 0.00001 0.00001 0.00002 147 4YZ 0.00001 -0.00001 -0.00001 0.00002 -0.00001 148 16 C 1S -0.00003 -0.00012 0.00007 -0.00001 0.00007 149 2S 0.00013 0.00044 -0.00018 0.00017 0.00004 150 2PX 0.00054 0.00095 -0.00054 -0.00030 0.00000 151 2PY 0.00003 0.00040 -0.00011 -0.00014 -0.00002 152 2PZ 0.00036 -0.00011 -0.00047 -0.00020 -0.00023 153 3S 0.00003 0.00102 0.00021 0.00001 -0.00040 154 3PX 0.00039 0.00054 -0.00020 -0.00025 -0.00019 155 3PY -0.00001 0.00036 -0.00009 0.00028 0.00028 156 3PZ 0.00028 0.00007 -0.00034 -0.00036 -0.00009 157 4XX -0.00009 -0.00002 -0.00001 0.00006 -0.00001 158 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 159 4ZZ 0.00006 -0.00004 -0.00001 -0.00007 0.00001 160 4XY -0.00004 0.00003 0.00001 0.00001 0.00000 161 4XZ -0.00004 0.00002 0.00003 0.00003 0.00001 162 4YZ -0.00006 -0.00004 0.00002 0.00004 -0.00002 163 17 C 1S 0.00007 0.00015 0.00026 0.00012 0.00007 164 2S -0.00044 -0.00077 -0.00060 -0.00001 -0.00033 165 2PX -0.00203 -0.00124 -0.00059 0.00175 -0.00066 166 2PY -0.00009 0.00036 0.00055 0.00019 0.00006 167 2PZ -0.00126 0.00121 0.00007 0.00173 -0.00002 168 3S 0.00066 -0.00047 -0.00067 -0.00073 0.00040 169 3PX -0.00048 -0.00012 -0.00026 0.00058 -0.00008 170 3PY 0.00030 -0.00013 0.00047 0.00073 -0.00050 171 3PZ -0.00089 0.00001 -0.00005 0.00108 -0.00038 172 4XX -0.00015 0.00010 0.00005 0.00031 0.00005 173 4YY 0.00005 -0.00006 0.00002 -0.00012 0.00004 174 4ZZ 0.00009 0.00001 -0.00004 -0.00011 -0.00005 175 4XY 0.00008 0.00002 -0.00007 -0.00014 -0.00004 176 4XZ 0.00002 0.00000 0.00007 -0.00001 0.00005 177 4YZ 0.00008 -0.00019 -0.00007 -0.00012 -0.00005 178 18 H 1S -0.00073 0.00131 -0.00029 0.00186 -0.00093 179 2S 0.00007 0.00150 0.00016 0.00083 -0.00113 180 19 H 1S -0.00014 -0.00037 -0.00019 0.00003 -0.00042 181 2S -0.00004 -0.00034 -0.00006 -0.00019 -0.00040 182 20 H 1S 0.00005 0.00015 -0.00003 -0.00023 -0.00002 183 2S 0.00007 0.00040 -0.00009 -0.00049 0.00000 184 21 H 1S -0.00004 -0.00028 -0.00003 0.00004 -0.00009 185 2S 0.00003 -0.00060 -0.00005 -0.00008 -0.00011 186 22 O 1S 0.00003 -0.00012 -0.00010 0.00007 0.00004 187 2S -0.00018 -0.00002 0.00039 -0.00006 -0.00017 188 2PX -0.00034 -0.00065 -0.00083 -0.00132 -0.00072 189 2PY -0.00012 0.00006 -0.00026 0.00033 -0.00019 190 2PZ 0.00005 -0.00159 -0.00067 -0.00016 -0.00068 191 3S -0.00084 0.00030 0.00003 -0.00035 0.00015 192 3PX -0.00009 -0.00040 -0.00057 -0.00122 -0.00044 193 3PY 0.00018 -0.00008 -0.00008 0.00024 -0.00016 194 3PZ 0.00027 -0.00122 -0.00053 -0.00044 -0.00041 195 4XX 0.00004 -0.00002 0.00002 0.00004 0.00000 196 4YY 0.00001 -0.00001 0.00003 -0.00002 -0.00003 197 4ZZ 0.00004 -0.00002 0.00002 0.00000 -0.00003 198 4XY 0.00008 0.00006 0.00005 0.00001 0.00005 199 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00001 200 4YZ 0.00004 0.00003 0.00003 -0.00004 0.00003 201 23 O 1S -0.00008 0.00005 -0.00004 0.00004 -0.00003 202 2S 0.00014 -0.00020 0.00013 -0.00013 0.00004 203 2PX 0.00077 0.00024 0.00011 -0.00114 -0.00006 204 2PY -0.00020 -0.00053 0.00006 -0.00003 0.00023 205 2PZ 0.00018 0.00081 -0.00005 -0.00225 -0.00063 206 3S 0.00024 0.00001 -0.00004 -0.00031 0.00021 207 3PX 0.00060 0.00010 0.00012 -0.00094 -0.00002 208 3PY -0.00008 -0.00029 -0.00002 0.00000 0.00021 209 3PZ 0.00020 0.00076 0.00002 -0.00182 -0.00048 210 4XX -0.00002 0.00000 0.00001 0.00002 -0.00001 211 4YY -0.00001 -0.00004 0.00001 0.00001 0.00000 212 4ZZ 0.00001 0.00000 0.00002 -0.00002 -0.00002 213 4XY 0.00003 0.00003 -0.00001 -0.00005 -0.00001 214 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 215 4YZ 0.00001 0.00002 -0.00001 -0.00007 -0.00002 61 62 63 64 65 61 5 H 1S 0.21329 62 2S 0.15226 0.13687 63 6 H 1S -0.01567 -0.01675 0.21483 64 2S -0.01747 -0.02006 0.16355 0.14590 65 7 H 1S -0.00984 -0.01818 -0.01578 -0.01601 0.21483 66 2S -0.01777 -0.02241 -0.01601 -0.01873 0.16355 67 8 H 1S -0.01139 -0.02246 -0.00984 -0.01777 -0.01567 68 2S -0.02246 -0.03172 -0.01818 -0.02241 -0.01675 69 9 C 1S 0.01067 0.00975 -0.00796 -0.00987 -0.00796 70 2S -0.02193 -0.01867 0.01746 0.02281 0.01746 71 2PX -0.00404 -0.00505 0.01113 0.02349 0.01113 72 2PY 0.04631 0.07845 -0.02208 -0.04540 0.02208 73 2PZ 0.01414 0.01812 -0.02496 -0.04513 -0.02496 74 3S -0.05409 -0.04478 0.04657 0.05248 0.04657 75 3PX -0.00513 -0.00484 0.00340 0.00984 0.00340 76 3PY 0.02630 0.03437 -0.02278 -0.03508 0.02278 77 3PZ 0.01661 0.02206 -0.02124 -0.03041 -0.02124 78 4XX -0.00140 -0.00072 -0.00177 -0.00270 -0.00177 79 4YY 0.00677 0.00426 0.00101 0.00131 0.00101 80 4ZZ -0.00225 -0.00162 -0.00072 -0.00056 -0.00072 81 4XY 0.00106 0.00094 0.00154 0.00226 -0.00154 82 4XZ 0.00149 0.00129 0.00148 0.00105 0.00148 83 4YZ -0.00221 -0.00539 -0.00048 0.00042 0.00048 84 10 H 1S -0.00923 -0.00573 -0.00900 -0.01771 -0.00900 85 2S -0.00712 -0.00702 -0.01792 -0.02384 -0.01792 86 11 H 1S -0.00518 -0.00203 -0.00157 -0.00570 -0.00157 87 2S -0.00145 -0.00294 -0.00398 -0.00896 -0.00398 88 12 C 1S -0.00110 -0.00273 0.00034 0.00157 0.00115 89 2S 0.00190 0.00247 -0.00080 -0.00211 -0.00235 90 2PX -0.00345 -0.00405 -0.00396 -0.01268 -0.00183 91 2PY -0.00941 -0.02681 -0.00080 0.00353 -0.00174 92 2PZ -0.00332 0.00272 -0.00263 -0.00576 0.00329 93 3S 0.00777 0.01581 -0.00254 -0.00510 -0.00166 94 3PX 0.00045 0.00067 0.00146 -0.00315 -0.00697 95 3PY -0.00771 -0.02242 -0.00117 0.00042 -0.00231 96 3PZ -0.00427 0.00057 -0.00573 -0.01038 0.00926 97 4XX 0.00020 0.00048 0.00014 0.00032 0.00012 98 4YY -0.00017 -0.00002 -0.00018 -0.00030 0.00001 99 4ZZ 0.00003 -0.00057 -0.00009 -0.00030 0.00031 100 4XY 0.00084 0.00134 -0.00003 -0.00070 0.00007 101 4XZ 0.00049 0.00148 0.00021 -0.00005 0.00013 102 4YZ 0.00086 0.00220 -0.00022 -0.00025 0.00036 103 13 C 1S 0.00398 0.00633 0.00115 0.00003 0.00034 104 2S -0.00764 -0.00763 -0.00235 -0.00301 -0.00080 105 2PX -0.01417 -0.02579 -0.00183 0.00836 -0.00396 106 2PY 0.01225 0.02883 0.00174 -0.00292 0.00080 107 2PZ -0.01428 -0.03793 0.00329 0.00051 -0.00263 108 3S -0.01878 -0.04505 -0.00166 0.00011 -0.00254 109 3PX -0.01529 -0.02283 -0.00697 -0.00246 0.00146 110 3PY 0.00150 0.00305 0.00231 0.00133 0.00117 111 3PZ -0.01249 -0.03405 0.00926 0.01124 -0.00573 112 4XX -0.00008 -0.00060 0.00012 -0.00015 0.00014 113 4YY 0.00083 0.00160 0.00001 -0.00020 -0.00018 114 4ZZ -0.00048 -0.00074 0.00031 0.00099 -0.00009 115 4XY -0.00119 -0.00106 -0.00007 -0.00065 0.00003 116 4XZ 0.00063 -0.00046 0.00013 0.00040 0.00021 117 4YZ -0.00105 -0.00037 -0.00036 -0.00025 0.00022 118 14 C 1S 0.00128 0.00096 0.00000 0.00176 -0.00013 119 2S -0.00487 -0.00688 0.00008 -0.00264 0.00076 120 2PX -0.01381 -0.00427 0.00132 -0.00177 -0.00097 121 2PY -0.00090 0.00509 -0.00042 -0.00296 0.00055 122 2PZ -0.00776 0.00805 0.00062 0.00597 -0.00111 123 3S 0.00175 0.00170 -0.00346 -0.00722 0.00182 124 3PX -0.00629 0.00546 -0.00168 -0.00232 0.00066 125 3PY -0.00522 0.00142 -0.00406 -0.00711 0.00245 126 3PZ -0.00466 0.00173 0.00239 0.00421 -0.00222 127 4XX -0.00024 -0.00174 -0.00018 0.00005 -0.00022 128 4YY 0.00019 0.00173 -0.00006 -0.00026 0.00031 129 4ZZ 0.00026 0.00074 -0.00004 0.00008 0.00011 130 4XY -0.00030 -0.00487 0.00008 -0.00031 -0.00018 131 4XZ 0.00060 -0.00043 0.00021 0.00028 -0.00028 132 4YZ -0.00031 -0.00126 0.00020 0.00078 -0.00030 133 15 C 1S -0.00005 -0.00331 0.00012 -0.00062 -0.00015 134 2S 0.00007 0.00733 -0.00041 0.00102 0.00078 135 2PX 0.00053 0.00383 0.00023 0.00403 0.00061 136 2PY 0.00030 -0.00586 0.00026 -0.00134 -0.00022 137 2PZ -0.00017 -0.01158 0.00200 0.00234 0.00026 138 3S 0.00124 0.01887 0.00228 0.00784 -0.00274 139 3PX 0.00107 0.00201 0.00089 0.00374 -0.00009 140 3PY 0.00224 0.00173 0.00293 0.00288 -0.00233 141 3PZ -0.00083 -0.00774 0.00119 0.00127 0.00060 142 4XX -0.00057 -0.00029 0.00004 -0.00001 -0.00001 143 4YY 0.00002 -0.00041 0.00000 0.00005 0.00003 144 4ZZ 0.00038 0.00020 -0.00006 -0.00019 0.00008 145 4XY 0.00026 -0.00044 0.00007 -0.00002 0.00002 146 4XZ -0.00011 -0.00032 -0.00005 0.00003 -0.00014 147 4YZ 0.00036 -0.00047 -0.00004 0.00007 0.00006 148 16 C 1S -0.00019 0.00037 -0.00015 0.00002 0.00012 149 2S 0.00024 -0.00188 0.00078 0.00067 -0.00041 150 2PX 0.00308 -0.00683 0.00061 0.00136 0.00023 151 2PY -0.00041 0.00135 0.00022 0.00002 -0.00026 152 2PZ 0.00489 -0.00367 0.00026 0.00155 0.00200 153 3S -0.00299 -0.00961 -0.00274 -0.00574 0.00228 154 3PX 0.00189 -0.00439 -0.00009 0.00016 0.00089 155 3PY 0.00084 0.00536 0.00233 0.00304 -0.00293 156 3PZ 0.00493 -0.00323 0.00060 0.00173 0.00119 157 4XX -0.00015 -0.00031 -0.00001 0.00006 0.00004 158 4YY 0.00003 0.00018 0.00003 -0.00001 0.00000 159 4ZZ -0.00001 0.00007 0.00008 0.00020 -0.00006 160 4XY 0.00000 -0.00024 -0.00002 -0.00019 -0.00007 161 4XZ 0.00004 0.00000 -0.00014 -0.00029 -0.00005 162 4YZ 0.00001 0.00063 -0.00006 -0.00004 0.00004 163 17 C 1S 0.00039 0.00145 -0.00013 -0.00149 0.00000 164 2S -0.00211 -0.00499 0.00076 0.00427 0.00008 165 2PX -0.00090 -0.00407 -0.00097 0.00227 0.00132 166 2PY 0.00202 0.00690 -0.00055 -0.00492 0.00042 167 2PZ 0.00250 0.00103 -0.00111 -0.00568 0.00062 168 3S 0.00049 -0.00208 0.00182 0.00505 -0.00346 169 3PX 0.00026 0.00198 0.00066 0.00141 -0.00168 170 3PY -0.00392 -0.00356 -0.00245 -0.00405 0.00406 171 3PZ 0.00178 -0.00076 -0.00221 -0.00455 0.00239 172 4XX -0.00047 -0.00041 -0.00022 -0.00039 -0.00018 173 4YY 0.00012 0.00054 0.00031 0.00025 -0.00006 174 4ZZ 0.00003 -0.00067 0.00011 0.00040 -0.00004 175 4XY -0.00005 -0.00007 0.00018 0.00017 -0.00008 176 4XZ 0.00012 0.00063 -0.00028 -0.00061 0.00021 177 4YZ 0.00001 0.00041 0.00030 0.00066 -0.00020 178 18 H 1S -0.00282 -0.01312 -0.00021 -0.00080 -0.00175 179 2S -0.00468 -0.01380 -0.00089 -0.00265 0.00671 180 19 H 1S -0.00481 -0.00047 -0.00175 0.00356 -0.00021 181 2S -0.00254 0.00457 0.00671 0.01215 -0.00089 182 20 H 1S -0.00041 -0.00048 0.00056 -0.00035 0.00015 183 2S 0.00049 -0.00307 0.00078 -0.00121 -0.00053 184 21 H 1S 0.00005 0.00270 0.00015 0.00077 0.00056 185 2S -0.00057 0.00357 -0.00053 0.00101 0.00078 186 22 O 1S -0.00043 -0.00068 -0.00014 0.00042 -0.00006 187 2S 0.00065 0.00134 0.00025 -0.00126 0.00077 188 2PX 0.00110 0.00233 0.00399 0.00499 -0.00068 189 2PY -0.00167 -0.00616 0.00020 0.00219 -0.00058 190 2PZ -0.00176 -0.00085 0.00348 0.00602 -0.00226 191 3S 0.00442 0.00492 0.00154 0.00084 -0.00236 192 3PX 0.00117 0.00239 0.00306 0.00367 -0.00065 193 3PY -0.00208 -0.00483 -0.00012 0.00085 0.00014 194 3PZ -0.00158 -0.00057 0.00299 0.00553 -0.00223 195 4XX -0.00028 -0.00031 -0.00009 -0.00015 0.00017 196 4YY -0.00004 0.00019 -0.00005 -0.00013 0.00027 197 4ZZ -0.00020 -0.00033 -0.00001 0.00001 0.00021 198 4XY -0.00006 -0.00002 -0.00014 -0.00028 0.00000 199 4XZ 0.00004 0.00012 -0.00005 -0.00010 0.00000 200 4YZ -0.00003 -0.00008 -0.00013 -0.00011 0.00010 201 23 O 1S 0.00173 -0.00515 -0.00006 -0.00032 -0.00014 202 2S -0.00341 0.01047 0.00077 0.00153 0.00025 203 2PX -0.00696 0.06201 -0.00068 0.00140 0.00399 204 2PY 0.00220 -0.01962 0.00058 0.00029 -0.00020 205 2PZ -0.00318 0.01090 -0.00226 -0.00657 0.00348 206 3S -0.00998 0.01585 -0.00236 -0.00320 0.00154 207 3PX -0.00347 0.04476 -0.00065 0.00096 0.00306 208 3PY -0.00104 -0.01290 -0.00014 -0.00070 0.00012 209 3PZ -0.00094 0.00871 -0.00223 -0.00597 0.00299 210 4XX 0.00062 0.00045 0.00017 0.00029 -0.00009 211 4YY -0.00004 -0.00196 0.00027 0.00029 -0.00005 212 4ZZ 0.00026 0.00014 0.00021 0.00027 -0.00001 213 4XY -0.00074 0.00225 0.00000 0.00001 0.00014 214 4XZ 0.00024 0.00057 0.00000 0.00000 -0.00005 215 4YZ -0.00044 0.00067 -0.00010 -0.00013 0.00013 66 67 68 69 70 66 2S 0.14590 67 8 H 1S -0.01747 0.21329 68 2S -0.02006 0.15226 0.13687 69 9 C 1S -0.00987 0.01067 0.00975 2.05183 70 2S 0.02281 -0.02193 -0.01867 -0.05486 0.31004 71 2PX 0.02349 -0.00404 -0.00505 0.00251 -0.00279 72 2PY 0.04540 -0.04631 -0.07845 0.00000 0.00000 73 2PZ -0.04513 0.01414 0.01812 -0.00293 -0.00199 74 3S 0.05248 -0.05409 -0.04478 -0.18941 0.28950 75 3PX 0.00984 -0.00513 -0.00484 0.00220 -0.00785 76 3PY 0.03508 -0.02630 -0.03437 0.00000 0.00000 77 3PZ -0.03041 0.01661 0.02206 -0.00169 0.01057 78 4XX -0.00270 -0.00140 -0.00072 -0.01854 0.00085 79 4YY 0.00131 0.00677 0.00426 -0.01402 -0.00803 80 4ZZ -0.00056 -0.00225 -0.00162 -0.01722 -0.00185 81 4XY -0.00226 -0.00106 -0.00094 0.00000 0.00000 82 4XZ 0.00105 0.00149 0.00129 0.00024 -0.00038 83 4YZ -0.00042 0.00221 0.00539 0.00000 0.00000 84 10 H 1S -0.01771 -0.00923 -0.00573 -0.05636 0.10716 85 2S -0.02384 -0.00712 -0.00702 -0.00597 0.01925 86 11 H 1S -0.00570 -0.00518 -0.00203 -0.05181 0.09899 87 2S -0.00896 -0.00145 -0.00294 -0.00301 0.01254 88 12 C 1S 0.00003 0.00398 0.00633 -0.00249 0.00450 89 2S -0.00301 -0.00764 -0.00763 0.00412 -0.01055 90 2PX 0.00836 -0.01417 -0.02579 0.00644 -0.01937 91 2PY 0.00292 -0.01225 -0.02883 -0.00119 0.00279 92 2PZ 0.00051 -0.01428 -0.03793 0.00897 -0.02618 93 3S 0.00011 -0.01878 -0.04505 0.00984 -0.02012 94 3PX -0.00246 -0.01529 -0.02283 0.00606 -0.01874 95 3PY -0.00133 -0.00150 -0.00305 0.00167 -0.00556 96 3PZ 0.01124 -0.01249 -0.03405 0.00794 -0.01784 97 4XX -0.00015 -0.00008 -0.00060 -0.00047 0.00058 98 4YY -0.00020 0.00083 0.00160 0.00018 -0.00077 99 4ZZ 0.00099 -0.00048 -0.00074 -0.00069 0.00105 100 4XY 0.00065 0.00119 0.00106 -0.00023 0.00042 101 4XZ 0.00040 0.00063 -0.00046 -0.00040 0.00095 102 4YZ 0.00025 0.00105 0.00037 -0.00004 0.00037 103 13 C 1S 0.00157 -0.00110 -0.00273 -0.00249 0.00450 104 2S -0.00211 0.00190 0.00247 0.00412 -0.01055 105 2PX -0.01268 -0.00345 -0.00405 0.00644 -0.01937 106 2PY -0.00353 0.00941 0.02681 0.00119 -0.00279 107 2PZ -0.00576 -0.00332 0.00272 0.00897 -0.02618 108 3S -0.00510 0.00777 0.01581 0.00984 -0.02012 109 3PX -0.00315 0.00045 0.00067 0.00606 -0.01874 110 3PY -0.00042 0.00771 0.02242 -0.00167 0.00557 111 3PZ -0.01038 -0.00427 0.00057 0.00794 -0.01784 112 4XX 0.00032 0.00020 0.00048 -0.00047 0.00058 113 4YY -0.00030 -0.00017 -0.00002 0.00018 -0.00077 114 4ZZ -0.00030 0.00003 -0.00057 -0.00069 0.00105 115 4XY 0.00070 -0.00084 -0.00134 0.00023 -0.00042 116 4XZ -0.00005 0.00049 0.00148 -0.00040 0.00095 117 4YZ 0.00025 -0.00086 -0.00220 0.00004 -0.00037 118 14 C 1S -0.00149 0.00039 0.00145 -0.00067 0.00120 119 2S 0.00427 -0.00211 -0.00499 0.00190 -0.00328 120 2PX 0.00227 -0.00090 -0.00407 0.00290 -0.00736 121 2PY 0.00492 -0.00202 -0.00690 0.00115 -0.00249 122 2PZ -0.00568 0.00250 0.00103 0.00352 -0.00935 123 3S 0.00505 0.00049 -0.00208 -0.00143 0.00174 124 3PX 0.00141 0.00026 0.00198 -0.00070 -0.00106 125 3PY 0.00405 0.00392 0.00356 0.00158 -0.00346 126 3PZ -0.00455 0.00178 -0.00076 0.00234 -0.00481 127 4XX -0.00039 -0.00047 -0.00041 0.00023 -0.00092 128 4YY 0.00025 0.00012 0.00054 -0.00016 0.00021 129 4ZZ 0.00040 0.00003 -0.00067 -0.00013 0.00056 130 4XY -0.00017 0.00005 0.00007 0.00029 -0.00075 131 4XZ -0.00061 0.00012 0.00063 -0.00014 0.00007 132 4YZ -0.00066 -0.00001 -0.00041 0.00031 -0.00101 133 15 C 1S 0.00002 -0.00019 0.00037 -0.00029 0.00123 134 2S 0.00067 0.00024 -0.00188 0.00200 -0.00368 135 2PX 0.00136 0.00308 -0.00683 0.00382 -0.00704 136 2PY -0.00002 0.00041 -0.00135 0.00065 -0.00054 137 2PZ 0.00155 0.00489 -0.00367 0.00342 -0.00571 138 3S -0.00574 -0.00299 -0.00961 -0.00191 0.00073 139 3PX 0.00016 0.00189 -0.00439 0.00065 -0.00189 140 3PY -0.00304 -0.00084 -0.00536 -0.00014 0.00079 141 3PZ 0.00173 0.00493 -0.00323 0.00231 -0.00360 142 4XX 0.00006 -0.00015 -0.00031 0.00024 -0.00043 143 4YY -0.00001 0.00003 0.00018 0.00027 -0.00037 144 4ZZ 0.00020 -0.00001 0.00007 0.00012 0.00021 145 4XY 0.00019 0.00000 0.00024 0.00007 -0.00012 146 4XZ -0.00029 0.00004 0.00000 -0.00007 0.00010 147 4YZ 0.00004 -0.00001 -0.00063 0.00013 -0.00024 148 16 C 1S -0.00062 -0.00005 -0.00331 -0.00029 0.00123 149 2S 0.00102 0.00007 0.00733 0.00200 -0.00368 150 2PX 0.00403 0.00053 0.00383 0.00382 -0.00704 151 2PY 0.00134 -0.00030 0.00586 -0.00065 0.00054 152 2PZ 0.00234 -0.00017 -0.01158 0.00342 -0.00571 153 3S 0.00784 0.00124 0.01887 -0.00191 0.00073 154 3PX 0.00374 0.00107 0.00201 0.00065 -0.00189 155 3PY -0.00288 -0.00224 -0.00173 0.00014 -0.00079 156 3PZ 0.00127 -0.00083 -0.00774 0.00231 -0.00360 157 4XX -0.00001 -0.00057 -0.00029 0.00024 -0.00043 158 4YY 0.00005 0.00002 -0.00041 0.00027 -0.00037 159 4ZZ -0.00019 0.00038 0.00020 0.00012 0.00021 160 4XY 0.00002 -0.00026 0.00044 -0.00007 0.00012 161 4XZ 0.00003 -0.00011 -0.00032 -0.00007 0.00010 162 4YZ -0.00007 -0.00036 0.00047 -0.00013 0.00024 163 17 C 1S 0.00176 0.00128 0.00096 -0.00067 0.00120 164 2S -0.00264 -0.00487 -0.00688 0.00190 -0.00328 165 2PX -0.00177 -0.01381 -0.00427 0.00290 -0.00736 166 2PY 0.00296 0.00090 -0.00509 -0.00115 0.00249 167 2PZ 0.00597 -0.00776 0.00805 0.00352 -0.00935 168 3S -0.00722 0.00175 0.00170 -0.00143 0.00174 169 3PX -0.00232 -0.00629 0.00546 -0.00070 -0.00106 170 3PY 0.00711 0.00522 -0.00142 -0.00158 0.00346 171 3PZ 0.00421 -0.00466 0.00173 0.00234 -0.00481 172 4XX 0.00005 -0.00024 -0.00174 0.00023 -0.00092 173 4YY -0.00026 0.00019 0.00173 -0.00016 0.00021 174 4ZZ 0.00008 0.00026 0.00074 -0.00013 0.00056 175 4XY 0.00031 0.00030 0.00487 -0.00029 0.00075 176 4XZ 0.00028 0.00060 -0.00043 -0.00014 0.00007 177 4YZ -0.00078 0.00031 0.00126 -0.00031 0.00101 178 18 H 1S 0.00356 -0.00481 -0.00047 -0.00113 0.00335 179 2S 0.01215 -0.00254 0.00457 -0.00241 0.00805 180 19 H 1S -0.00080 -0.00282 -0.01312 -0.00113 0.00335 181 2S -0.00265 -0.00468 -0.01380 -0.00241 0.00805 182 20 H 1S 0.00077 0.00005 0.00270 -0.00019 0.00030 183 2S 0.00101 -0.00057 0.00357 -0.00044 0.00096 184 21 H 1S -0.00035 -0.00041 -0.00048 -0.00019 0.00030 185 2S -0.00121 0.00049 -0.00307 -0.00044 0.00096 186 22 O 1S -0.00032 0.00173 -0.00515 0.00002 -0.00031 187 2S 0.00153 -0.00341 0.01047 -0.00061 0.00194 188 2PX 0.00140 -0.00696 0.06201 -0.00295 0.00604 189 2PY -0.00029 -0.00220 0.01962 -0.00001 -0.00029 190 2PZ -0.00657 -0.00318 0.01090 -0.00211 0.00706 191 3S -0.00320 -0.00998 0.01585 0.00226 -0.00379 192 3PX 0.00096 -0.00347 0.04476 -0.00208 0.00483 193 3PY 0.00070 0.00104 0.01290 -0.00090 0.00164 194 3PZ -0.00597 -0.00094 0.00871 -0.00212 0.00633 195 4XX 0.00029 0.00062 0.00045 -0.00014 0.00024 196 4YY 0.00029 -0.00004 -0.00196 -0.00013 0.00037 197 4ZZ 0.00027 0.00026 0.00014 -0.00022 0.00047 198 4XY -0.00001 0.00074 -0.00225 -0.00001 -0.00001 199 4XZ 0.00000 0.00024 0.00057 0.00000 -0.00001 200 4YZ 0.00013 0.00044 -0.00067 0.00000 -0.00002 201 23 O 1S 0.00042 -0.00043 -0.00068 0.00002 -0.00031 202 2S -0.00126 0.00065 0.00134 -0.00061 0.00194 203 2PX 0.00499 0.00110 0.00233 -0.00295 0.00604 204 2PY -0.00219 0.00167 0.00616 0.00001 0.00029 205 2PZ 0.00602 -0.00176 -0.00085 -0.00211 0.00706 206 3S 0.00084 0.00442 0.00492 0.00226 -0.00379 207 3PX 0.00367 0.00117 0.00239 -0.00208 0.00483 208 3PY -0.00085 0.00208 0.00483 0.00090 -0.00164 209 3PZ 0.00553 -0.00158 -0.00057 -0.00212 0.00633 210 4XX -0.00015 -0.00028 -0.00031 -0.00014 0.00024 211 4YY -0.00013 -0.00004 0.00019 -0.00013 0.00037 212 4ZZ 0.00001 -0.00020 -0.00033 -0.00022 0.00047 213 4XY 0.00028 0.00006 0.00002 0.00001 0.00001 214 4XZ -0.00010 0.00004 0.00012 0.00000 -0.00001 215 4YZ 0.00011 0.00003 0.00008 0.00000 0.00002 71 72 73 74 75 71 2PX 0.41673 72 2PY 0.00000 0.37652 73 2PZ -0.00588 0.00000 0.39894 74 3S -0.00311 0.00000 -0.00386 0.31537 75 3PX 0.19464 0.00000 0.00848 -0.00338 0.09623 76 3PY 0.00000 0.17400 0.00000 0.00000 0.00000 77 3PZ 0.00167 0.00000 0.17163 -0.00579 0.00029 78 4XX -0.01437 0.00000 0.01432 0.00292 -0.00567 79 4YY 0.00503 0.00000 -0.01331 -0.00795 0.00201 80 4ZZ 0.00884 0.00000 0.00523 -0.00108 0.00376 81 4XY 0.00000 0.00857 0.00000 0.00000 0.00000 82 4XZ 0.01750 0.00000 0.01311 -0.00060 0.00783 83 4YZ 0.00000 -0.01626 0.00000 0.00000 0.00000 84 10 H 1S -0.25461 0.00000 0.08490 0.10456 -0.11552 85 2S -0.20015 0.00000 0.06842 0.01980 -0.08197 86 11 H 1S 0.16107 0.00000 0.20744 0.09241 0.07687 87 2S 0.12985 0.00000 0.17650 0.00969 0.06141 88 12 C 1S -0.00323 -0.00092 -0.00610 0.00837 -0.00299 89 2S 0.00794 -0.00548 0.01412 -0.01591 0.00317 90 2PX 0.00634 0.01018 0.02266 -0.01500 -0.00043 91 2PY 0.00064 -0.00362 -0.00489 0.02179 0.01578 92 2PZ 0.01441 -0.00479 0.02855 -0.02516 -0.00254 93 3S 0.01281 0.04203 0.02887 -0.01773 0.00641 94 3PX 0.01111 -0.01022 0.02986 -0.01454 0.00280 95 3PY 0.00422 -0.02096 0.00885 0.00247 0.00718 96 3PZ 0.01176 0.01270 0.02302 -0.01288 0.00141 97 4XX 0.00013 -0.00098 -0.00064 0.00049 -0.00013 98 4YY 0.00050 -0.00062 0.00122 -0.00118 0.00003 99 4ZZ -0.00155 0.00108 -0.00249 0.00153 -0.00007 100 4XY -0.00072 -0.00005 -0.00037 0.00007 -0.00020 101 4XZ -0.00112 0.00091 -0.00242 0.00021 -0.00139 102 4YZ 0.00023 -0.00082 -0.00034 -0.00004 0.00020 103 13 C 1S -0.00323 0.00092 -0.00610 0.00837 -0.00299 104 2S 0.00794 0.00548 0.01412 -0.01591 0.00317 105 2PX 0.00634 -0.01018 0.02266 -0.01501 -0.00043 106 2PY -0.00064 -0.00362 0.00489 -0.02179 -0.01578 107 2PZ 0.01441 0.00479 0.02855 -0.02516 -0.00254 108 3S 0.01281 -0.04203 0.02887 -0.01773 0.00641 109 3PX 0.01111 0.01022 0.02986 -0.01454 0.00280 110 3PY -0.00422 -0.02096 -0.00885 -0.00247 -0.00718 111 3PZ 0.01176 -0.01270 0.02302 -0.01288 0.00141 112 4XX 0.00013 0.00098 -0.00064 0.00049 -0.00013 113 4YY 0.00050 0.00062 0.00122 -0.00118 0.00003 114 4ZZ -0.00155 -0.00108 -0.00249 0.00153 -0.00007 115 4XY 0.00072 -0.00005 0.00037 -0.00007 0.00020 116 4XZ -0.00112 -0.00091 -0.00242 0.00021 -0.00139 117 4YZ -0.00023 -0.00082 0.00034 0.00004 -0.00020 118 14 C 1S -0.00310 -0.00243 -0.00085 0.00203 -0.00195 119 2S 0.01031 0.00517 0.00175 -0.00260 0.00688 120 2PX 0.00847 0.00850 0.00937 -0.00399 0.01476 121 2PY 0.00757 0.00590 0.00000 0.00725 0.00765 122 2PZ 0.01036 -0.00233 0.00452 -0.00962 0.01109 123 3S -0.00015 0.02146 0.00061 0.00064 0.00048 124 3PX 0.00114 0.00762 0.00063 0.00028 0.00507 125 3PY 0.00743 0.01773 0.01070 -0.00518 0.00266 126 3PZ 0.00349 -0.00259 0.00516 -0.00379 0.00583 127 4XX 0.00000 0.00032 0.00127 0.00031 -0.00042 128 4YY -0.00007 0.00045 -0.00038 -0.00073 -0.00033 129 4ZZ 0.00013 -0.00046 -0.00138 0.00039 0.00083 130 4XY 0.00021 0.00042 0.00093 -0.00217 -0.00034 131 4XZ -0.00131 -0.00068 0.00022 -0.00022 -0.00114 132 4YZ 0.00052 -0.00111 0.00054 -0.00106 0.00031 133 15 C 1S -0.00319 0.00075 0.00121 -0.00147 -0.00001 134 2S 0.01103 0.00059 -0.00203 -0.00199 0.00542 135 2PX 0.02346 -0.00150 -0.00943 -0.01835 0.02448 136 2PY 0.00191 0.00080 0.00056 -0.00509 0.00134 137 2PZ 0.02199 0.00073 -0.00850 -0.02858 0.02347 138 3S 0.00079 -0.02610 -0.00655 0.00420 0.00147 139 3PX 0.01174 -0.00880 -0.00917 -0.00973 0.01386 140 3PY -0.00151 -0.01165 -0.00024 -0.00043 -0.00061 141 3PZ 0.01659 0.00292 -0.00540 -0.01956 0.01588 142 4XX -0.00012 0.00018 0.00039 -0.00025 0.00028 143 4YY 0.00102 -0.00001 -0.00003 -0.00058 0.00037 144 4ZZ -0.00019 0.00026 -0.00027 0.00029 -0.00035 145 4XY 0.00039 0.00009 -0.00035 -0.00066 0.00056 146 4XZ -0.00127 -0.00015 0.00038 -0.00007 -0.00049 147 4YZ 0.00088 -0.00014 -0.00040 -0.00126 0.00084 148 16 C 1S -0.00319 -0.00075 0.00121 -0.00147 -0.00001 149 2S 0.01103 -0.00059 -0.00203 -0.00199 0.00542 150 2PX 0.02346 0.00150 -0.00943 -0.01835 0.02448 151 2PY -0.00191 0.00080 -0.00056 0.00509 -0.00134 152 2PZ 0.02199 -0.00074 -0.00850 -0.02858 0.02347 153 3S 0.00079 0.02610 -0.00655 0.00420 0.00147 154 3PX 0.01174 0.00880 -0.00917 -0.00973 0.01386 155 3PY 0.00151 -0.01165 0.00024 0.00043 0.00061 156 3PZ 0.01659 -0.00292 -0.00540 -0.01956 0.01588 157 4XX -0.00012 -0.00018 0.00039 -0.00025 0.00028 158 4YY 0.00102 0.00001 -0.00003 -0.00058 0.00037 159 4ZZ -0.00019 -0.00026 -0.00027 0.00029 -0.00035 160 4XY -0.00039 0.00009 0.00035 0.00066 -0.00056 161 4XZ -0.00127 0.00015 0.00038 -0.00007 -0.00049 162 4YZ -0.00088 -0.00014 0.00040 0.00126 -0.00084 163 17 C 1S -0.00310 0.00243 -0.00085 0.00203 -0.00195 164 2S 0.01031 -0.00517 0.00175 -0.00260 0.00688 165 2PX 0.00847 -0.00850 0.00937 -0.00399 0.01476 166 2PY -0.00757 0.00590 0.00000 -0.00725 -0.00765 167 2PZ 0.01036 0.00233 0.00452 -0.00962 0.01109 168 3S -0.00015 -0.02146 0.00061 0.00064 0.00048 169 3PX 0.00114 -0.00762 0.00063 0.00028 0.00507 170 3PY -0.00743 0.01773 -0.01070 0.00518 -0.00266 171 3PZ 0.00349 0.00259 0.00516 -0.00379 0.00583 172 4XX 0.00000 -0.00032 0.00127 0.00031 -0.00042 173 4YY -0.00007 -0.00045 -0.00038 -0.00073 -0.00033 174 4ZZ 0.00013 0.00046 -0.00138 0.00039 0.00083 175 4XY -0.00021 0.00042 -0.00093 0.00217 0.00034 176 4XZ -0.00131 0.00068 0.00022 -0.00022 -0.00114 177 4YZ -0.00052 -0.00111 -0.00054 0.00106 -0.00031 178 18 H 1S -0.00228 0.00511 -0.00298 0.00877 0.00704 179 2S -0.00252 0.01354 -0.00933 0.01371 0.00571 180 19 H 1S -0.00228 -0.00511 -0.00298 0.00877 0.00704 181 2S -0.00252 -0.01354 -0.00933 0.01371 0.00571 182 20 H 1S 0.00036 0.00094 -0.00011 0.00082 -0.00106 183 2S -0.00188 0.00002 -0.00018 0.00145 -0.00127 184 21 H 1S 0.00036 -0.00094 -0.00011 0.00082 -0.00106 185 2S -0.00188 -0.00002 -0.00018 0.00144 -0.00127 186 22 O 1S -0.00003 -0.00051 -0.00004 0.00118 -0.00101 187 2S -0.00184 0.00279 -0.00176 -0.00353 0.00106 188 2PX -0.00180 0.00145 -0.00792 0.01872 0.00821 189 2PY 0.00218 -0.00247 -0.00139 0.01077 0.00831 190 2PZ -0.00294 -0.01135 -0.00490 0.00590 0.00270 191 3S 0.00829 -0.00618 0.00942 -0.00825 0.00730 192 3PX -0.00141 0.00211 -0.00602 0.01378 0.00468 193 3PY -0.00182 -0.00067 -0.00378 0.00772 0.00331 194 3PZ -0.00273 -0.00949 -0.00448 0.00549 0.00083 195 4XX -0.00064 0.00015 -0.00049 0.00056 -0.00027 196 4YY -0.00051 0.00088 -0.00043 -0.00009 -0.00072 197 4ZZ -0.00064 0.00041 -0.00087 0.00056 -0.00021 198 4XY -0.00030 0.00008 0.00000 -0.00060 -0.00080 199 4XZ -0.00008 -0.00011 0.00003 -0.00011 -0.00001 200 4YZ -0.00027 0.00049 0.00006 0.00006 -0.00046 201 23 O 1S -0.00003 0.00051 -0.00004 0.00118 -0.00101 202 2S -0.00184 -0.00279 -0.00176 -0.00353 0.00106 203 2PX -0.00180 -0.00145 -0.00792 0.01872 0.00821 204 2PY -0.00218 -0.00247 0.00139 -0.01077 -0.00831 205 2PZ -0.00294 0.01135 -0.00490 0.00591 0.00270 206 3S 0.00829 0.00618 0.00942 -0.00825 0.00730 207 3PX -0.00141 -0.00211 -0.00602 0.01378 0.00468 208 3PY 0.00182 -0.00067 0.00378 -0.00772 -0.00331 209 3PZ -0.00273 0.00949 -0.00448 0.00549 0.00083 210 4XX -0.00064 -0.00015 -0.00049 0.00056 -0.00027 211 4YY -0.00051 -0.00088 -0.00043 -0.00009 -0.00072 212 4ZZ -0.00064 -0.00041 -0.00087 0.00056 -0.00021 213 4XY 0.00030 0.00008 0.00000 0.00060 0.00080 214 4XZ -0.00008 0.00011 0.00003 -0.00011 -0.00001 215 4YZ 0.00027 0.00049 -0.00006 -0.00006 0.00046 76 77 78 79 80 76 3PY 0.08615 77 3PZ 0.00000 0.09298 78 4XX 0.00000 0.00517 0.00136 79 4YY 0.00000 -0.00531 -0.00067 0.00136 80 4ZZ 0.00000 0.00316 -0.00003 -0.00014 0.00077 81 4XY 0.00344 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00583 -0.00038 -0.00011 0.00059 83 4YZ -0.00652 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.03388 0.01309 -0.00885 -0.00479 85 2S 0.00000 0.01462 0.01118 -0.00594 -0.00438 86 11 H 1S 0.00000 0.09508 0.00197 -0.00783 0.00673 87 2S 0.00000 0.07279 0.00105 -0.00561 0.00638 88 12 C 1S -0.00112 -0.00300 -0.00038 0.00016 -0.00054 89 2S -0.00344 0.00400 0.00042 -0.00069 0.00051 90 2PX 0.00945 -0.01009 -0.00076 -0.00211 0.00273 91 2PY -0.00223 -0.00988 0.00002 -0.00003 0.00116 92 2PZ -0.01222 -0.00550 -0.00085 -0.00291 0.00379 93 3S 0.01403 -0.00078 0.00093 -0.00145 0.00101 94 3PX -0.00430 -0.00127 -0.00016 -0.00193 0.00224 95 3PY -0.00883 -0.00305 0.00040 -0.00049 0.00067 96 3PZ 0.00174 -0.00671 -0.00039 -0.00207 0.00243 97 4XX -0.00066 0.00104 -0.00007 0.00004 0.00010 98 4YY -0.00022 0.00046 0.00004 -0.00001 -0.00003 99 4ZZ 0.00085 -0.00175 -0.00001 0.00007 -0.00009 100 4XY 0.00042 0.00072 0.00003 0.00012 -0.00012 101 4XZ 0.00012 -0.00041 -0.00013 0.00007 0.00000 102 4YZ -0.00117 0.00074 -0.00001 0.00011 -0.00008 103 13 C 1S 0.00112 -0.00300 -0.00038 0.00016 -0.00054 104 2S 0.00344 0.00400 0.00042 -0.00069 0.00051 105 2PX -0.00945 -0.01009 -0.00076 -0.00211 0.00273 106 2PY -0.00223 0.00988 -0.00002 0.00003 -0.00116 107 2PZ 0.01222 -0.00550 -0.00085 -0.00291 0.00379 108 3S -0.01403 -0.00078 0.00093 -0.00145 0.00101 109 3PX 0.00430 -0.00128 -0.00016 -0.00193 0.00224 110 3PY -0.00883 0.00305 -0.00040 0.00049 -0.00067 111 3PZ -0.00174 -0.00671 -0.00039 -0.00207 0.00243 112 4XX 0.00066 0.00104 -0.00007 0.00004 0.00010 113 4YY 0.00022 0.00046 0.00004 -0.00001 -0.00003 114 4ZZ -0.00085 -0.00175 -0.00001 0.00007 -0.00009 115 4XY 0.00042 -0.00072 -0.00003 -0.00012 0.00012 116 4XZ -0.00012 -0.00041 -0.00013 0.00007 0.00000 117 4YZ -0.00117 -0.00074 0.00001 -0.00011 0.00008 118 14 C 1S -0.00279 -0.00282 -0.00009 -0.00002 -0.00012 119 2S 0.00539 0.00234 0.00012 -0.00011 0.00040 120 2PX 0.01124 -0.00311 0.00047 -0.00074 0.00064 121 2PY -0.00088 0.00145 0.00004 0.00017 0.00030 122 2PZ -0.00688 -0.00593 0.00001 -0.00029 0.00018 123 3S 0.01230 0.00647 -0.00001 0.00020 0.00013 124 3PX 0.00484 -0.00121 0.00011 -0.00017 -0.00002 125 3PY 0.00935 0.00899 0.00025 -0.00027 0.00037 126 3PZ -0.00268 -0.00233 0.00044 -0.00025 -0.00012 127 4XX 0.00013 0.00010 -0.00003 -0.00011 0.00017 128 4YY 0.00033 0.00036 0.00000 0.00002 -0.00005 129 4ZZ -0.00067 -0.00104 -0.00001 0.00010 -0.00010 130 4XY 0.00123 -0.00082 0.00000 -0.00008 0.00010 131 4XZ -0.00008 -0.00007 0.00001 -0.00004 0.00001 132 4YZ -0.00091 -0.00184 -0.00005 -0.00006 0.00008 133 15 C 1S 0.00188 -0.00148 0.00017 0.00008 0.00019 134 2S -0.00415 0.00014 -0.00047 0.00027 0.00009 135 2PX -0.00623 -0.01985 -0.00052 0.00110 -0.00040 136 2PY 0.00320 0.00084 -0.00002 0.00005 0.00027 137 2PZ 0.00421 -0.02495 -0.00070 0.00089 -0.00055 138 3S -0.02265 -0.00448 -0.00036 0.00017 -0.00021 139 3PX -0.00735 -0.01471 -0.00043 0.00075 -0.00036 140 3PY -0.00594 0.00041 0.00008 0.00003 0.00003 141 3PZ 0.00321 -0.01547 -0.00051 0.00066 -0.00030 142 4XX 0.00017 -0.00042 0.00003 -0.00005 0.00001 143 4YY 0.00021 0.00000 -0.00004 0.00002 0.00002 144 4ZZ 0.00020 0.00033 -0.00001 0.00003 -0.00002 145 4XY 0.00042 -0.00083 -0.00002 0.00003 -0.00003 146 4XZ -0.00004 -0.00020 0.00006 -0.00004 -0.00002 147 4YZ -0.00031 -0.00109 -0.00003 0.00004 -0.00001 148 16 C 1S -0.00188 -0.00148 0.00017 0.00008 0.00019 149 2S 0.00415 0.00014 -0.00047 0.00027 0.00009 150 2PX 0.00623 -0.01985 -0.00052 0.00110 -0.00040 151 2PY 0.00320 -0.00084 0.00002 -0.00005 -0.00027 152 2PZ -0.00421 -0.02495 -0.00070 0.00089 -0.00055 153 3S 0.02265 -0.00448 -0.00036 0.00017 -0.00021 154 3PX 0.00735 -0.01471 -0.00043 0.00075 -0.00036 155 3PY -0.00594 -0.00041 -0.00008 -0.00003 -0.00003 156 3PZ -0.00321 -0.01547 -0.00051 0.00066 -0.00030 157 4XX -0.00017 -0.00042 0.00003 -0.00005 0.00001 158 4YY -0.00021 0.00000 -0.00004 0.00002 0.00002 159 4ZZ -0.00020 0.00033 -0.00001 0.00003 -0.00002 160 4XY 0.00042 0.00083 0.00002 -0.00003 0.00003 161 4XZ 0.00004 -0.00020 0.00006 -0.00004 -0.00002 162 4YZ -0.00031 0.00109 0.00003 -0.00004 0.00001 163 17 C 1S 0.00279 -0.00282 -0.00009 -0.00002 -0.00012 164 2S -0.00539 0.00234 0.00012 -0.00011 0.00040 165 2PX -0.01124 -0.00311 0.00047 -0.00074 0.00064 166 2PY -0.00088 -0.00145 -0.00004 -0.00017 -0.00030 167 2PZ 0.00688 -0.00593 0.00001 -0.00029 0.00018 168 3S -0.01230 0.00647 -0.00001 0.00020 0.00013 169 3PX -0.00484 -0.00121 0.00011 -0.00017 -0.00002 170 3PY 0.00935 -0.00899 -0.00025 0.00027 -0.00037 171 3PZ 0.00268 -0.00233 0.00044 -0.00025 -0.00012 172 4XX -0.00013 0.00010 -0.00003 -0.00011 0.00017 173 4YY -0.00033 0.00036 0.00000 0.00002 -0.00005 174 4ZZ 0.00067 -0.00104 -0.00001 0.00010 -0.00010 175 4XY 0.00123 0.00082 0.00000 0.00008 -0.00010 176 4XZ 0.00008 -0.00007 0.00001 -0.00004 0.00001 177 4YZ -0.00091 0.00184 0.00005 0.00006 -0.00008 178 18 H 1S 0.00947 -0.00308 0.00042 0.00038 -0.00044 179 2S 0.01513 -0.00550 -0.00005 0.00050 -0.00044 180 19 H 1S -0.00947 -0.00308 0.00042 0.00038 -0.00044 181 2S -0.01513 -0.00550 -0.00005 0.00050 -0.00044 182 20 H 1S 0.00244 0.00050 -0.00015 -0.00008 -0.00008 183 2S 0.00409 0.00094 0.00002 -0.00005 -0.00006 184 21 H 1S -0.00244 0.00050 -0.00015 -0.00008 -0.00008 185 2S -0.00409 0.00094 0.00002 -0.00005 -0.00006 186 22 O 1S -0.00026 -0.00068 -0.00006 -0.00001 -0.00003 187 2S 0.00048 0.00031 0.00010 0.00001 0.00000 188 2PX 0.00826 0.00732 0.00027 0.00035 -0.00120 189 2PY 0.00497 0.00016 0.00009 0.00020 0.00009 190 2PZ -0.00781 0.01423 0.00071 0.00033 -0.00055 191 3S -0.00281 0.00687 0.00035 -0.00029 0.00045 192 3PX 0.00694 0.00646 0.00015 0.00033 -0.00087 193 3PY 0.00319 -0.00087 0.00000 0.00023 -0.00008 194 3PZ -0.00659 0.01176 0.00045 0.00033 -0.00039 195 4XX 0.00019 -0.00031 -0.00001 0.00002 -0.00002 196 4YY 0.00003 -0.00030 -0.00001 -0.00001 -0.00002 197 4ZZ 0.00033 -0.00046 -0.00001 0.00003 -0.00004 198 4XY -0.00004 -0.00027 -0.00003 0.00001 0.00003 199 4XZ -0.00006 0.00016 0.00000 0.00001 -0.00001 200 4YZ 0.00021 -0.00051 -0.00003 -0.00001 0.00001 201 23 O 1S 0.00026 -0.00068 -0.00006 -0.00001 -0.00003 202 2S -0.00048 0.00031 0.00010 0.00001 0.00000 203 2PX -0.00826 0.00732 0.00027 0.00035 -0.00120 204 2PY 0.00497 -0.00016 -0.00009 -0.00020 -0.00009 205 2PZ 0.00781 0.01423 0.00071 0.00033 -0.00055 206 3S 0.00281 0.00687 0.00035 -0.00029 0.00045 207 3PX -0.00694 0.00646 0.00015 0.00033 -0.00087 208 3PY 0.00319 0.00087 0.00000 -0.00023 0.00008 209 3PZ 0.00659 0.01176 0.00045 0.00033 -0.00039 210 4XX -0.00019 -0.00031 -0.00001 0.00002 -0.00002 211 4YY -0.00003 -0.00030 -0.00001 -0.00001 -0.00002 212 4ZZ -0.00033 -0.00046 -0.00001 0.00003 -0.00004 213 4XY -0.00004 0.00027 0.00003 -0.00001 -0.00003 214 4XZ 0.00006 0.00016 0.00000 0.00001 -0.00001 215 4YZ 0.00021 0.00051 0.00003 0.00001 -0.00001 81 82 83 84 85 81 4XY 0.00076 82 4XZ 0.00000 0.00164 83 4YZ -0.00019 0.00000 0.00111 84 10 H 1S 0.00000 -0.00921 0.00000 0.21329 85 2S 0.00000 -0.00874 0.00000 0.15283 0.13978 86 11 H 1S 0.00000 0.01452 0.00000 -0.02248 -0.04184 87 2S 0.00000 0.01325 0.00000 -0.04153 -0.03934 88 12 C 1S 0.00015 -0.00088 0.00027 0.00274 0.00137 89 2S -0.00035 0.00179 0.00013 -0.00604 -0.00403 90 2PX -0.00275 0.00433 -0.00295 -0.01117 -0.00732 91 2PY 0.00001 -0.00033 0.00032 -0.00133 0.00679 92 2PZ -0.00375 0.00582 -0.00285 -0.01883 -0.02273 93 3S 0.00051 0.00285 -0.00250 -0.00997 -0.00351 94 3PX -0.00249 0.00382 -0.00177 -0.01046 -0.00733 95 3PY -0.00041 0.00058 0.00122 -0.00295 0.00176 96 3PZ -0.00297 0.00407 -0.00294 -0.01267 -0.01143 97 4XX -0.00009 -0.00007 -0.00005 -0.00019 -0.00092 98 4YY 0.00004 0.00006 0.00009 -0.00026 -0.00009 99 4ZZ -0.00006 -0.00016 -0.00007 0.00093 0.00136 100 4XY -0.00019 -0.00015 -0.00016 0.00063 0.00053 101 4XZ -0.00014 -0.00008 -0.00020 0.00017 -0.00085 102 4YZ -0.00027 -0.00009 -0.00017 0.00000 -0.00012 103 13 C 1S -0.00015 -0.00088 -0.00027 0.00274 0.00137 104 2S 0.00035 0.00179 -0.00013 -0.00604 -0.00403 105 2PX 0.00275 0.00433 0.00295 -0.01117 -0.00732 106 2PY 0.00001 0.00033 0.00032 0.00133 -0.00679 107 2PZ 0.00375 0.00582 0.00285 -0.01883 -0.02273 108 3S -0.00051 0.00285 0.00250 -0.00997 -0.00351 109 3PX 0.00249 0.00382 0.00177 -0.01046 -0.00733 110 3PY -0.00041 -0.00058 0.00122 0.00295 -0.00176 111 3PZ 0.00297 0.00407 0.00294 -0.01267 -0.01143 112 4XX 0.00009 -0.00007 0.00005 -0.00019 -0.00092 113 4YY -0.00004 0.00006 -0.00009 -0.00026 -0.00009 114 4ZZ 0.00006 -0.00016 0.00007 0.00093 0.00136 115 4XY -0.00019 0.00015 -0.00016 -0.00063 -0.00053 116 4XZ 0.00014 -0.00008 0.00020 0.00017 -0.00085 117 4YZ -0.00027 0.00009 -0.00017 0.00000 0.00012 118 14 C 1S -0.00010 -0.00034 0.00032 0.00141 0.00305 119 2S -0.00018 0.00056 -0.00067 -0.00555 -0.00548 120 2PX 0.00032 0.00092 -0.00041 -0.00414 0.00643 121 2PY -0.00014 0.00039 -0.00043 -0.00423 -0.00387 122 2PZ 0.00138 0.00129 0.00113 -0.00531 0.00516 123 3S 0.00055 0.00010 -0.00104 0.00026 -0.00408 124 3PX 0.00023 0.00019 -0.00029 0.00015 0.00324 125 3PY 0.00017 0.00045 -0.00082 -0.00282 -0.00435 126 3PZ 0.00061 0.00043 0.00038 -0.00113 0.00374 127 4XX 0.00017 0.00022 0.00013 -0.00072 -0.00169 128 4YY -0.00007 -0.00005 -0.00006 0.00011 -0.00015 129 4ZZ -0.00012 -0.00016 -0.00006 0.00042 0.00207 130 4XY 0.00011 0.00016 0.00008 -0.00026 0.00072 131 4XZ 0.00010 0.00002 0.00012 0.00059 -0.00003 132 4YZ 0.00018 0.00018 0.00020 -0.00023 0.00145 133 15 C 1S -0.00005 -0.00025 -0.00002 0.00098 0.00536 134 2S 0.00009 0.00064 0.00002 -0.00631 -0.00675 135 2PX 0.00034 0.00056 0.00023 -0.00688 0.02812 136 2PY -0.00010 0.00034 -0.00011 -0.00109 -0.00325 137 2PZ 0.00008 0.00014 0.00005 -0.00547 0.04011 138 3S -0.00018 0.00010 0.00128 0.00064 0.00090 139 3PX -0.00011 0.00006 0.00044 -0.00247 0.02049 140 3PY -0.00014 -0.00007 0.00043 0.00079 -0.00057 141 3PZ 0.00011 0.00020 -0.00011 -0.00440 0.02527 142 4XX 0.00002 0.00003 0.00000 0.00013 0.00076 143 4YY 0.00000 0.00006 0.00000 -0.00075 -0.00066 144 4ZZ -0.00004 -0.00006 -0.00004 -0.00005 -0.00041 145 4XY -0.00003 -0.00001 -0.00002 0.00005 0.00139 146 4XZ 0.00002 -0.00004 0.00003 0.00091 0.00102 147 4YZ 0.00001 0.00002 0.00001 -0.00021 0.00159 148 16 C 1S 0.00005 -0.00025 0.00002 0.00098 0.00536 149 2S -0.00009 0.00064 -0.00002 -0.00631 -0.00675 150 2PX -0.00034 0.00056 -0.00023 -0.00688 0.02812 151 2PY -0.00010 -0.00034 -0.00011 0.00109 0.00325 152 2PZ -0.00008 0.00014 -0.00005 -0.00547 0.04011 153 3S 0.00018 0.00010 -0.00128 0.00064 0.00090 154 3PX 0.00011 0.00006 -0.00044 -0.00247 0.02049 155 3PY -0.00014 0.00007 0.00043 -0.00079 0.00057 156 3PZ -0.00011 0.00020 0.00011 -0.00440 0.02527 157 4XX -0.00002 0.00003 0.00000 0.00013 0.00076 158 4YY 0.00000 0.00006 0.00000 -0.00075 -0.00066 159 4ZZ 0.00004 -0.00006 0.00004 -0.00005 -0.00041 160 4XY -0.00003 0.00001 -0.00002 -0.00005 -0.00139 161 4XZ -0.00002 -0.00004 -0.00003 0.00091 0.00102 162 4YZ 0.00001 -0.00002 0.00001 0.00021 -0.00159 163 17 C 1S 0.00010 -0.00034 -0.00032 0.00141 0.00305 164 2S 0.00018 0.00056 0.00067 -0.00555 -0.00548 165 2PX -0.00032 0.00092 0.00041 -0.00414 0.00643 166 2PY -0.00014 -0.00039 -0.00043 0.00423 0.00387 167 2PZ -0.00138 0.00129 -0.00113 -0.00531 0.00516 168 3S -0.00055 0.00010 0.00104 0.00026 -0.00408 169 3PX -0.00023 0.00019 0.00029 0.00015 0.00324 170 3PY 0.00017 -0.00045 -0.00082 0.00282 0.00435 171 3PZ -0.00061 0.00043 -0.00038 -0.00113 0.00374 172 4XX -0.00017 0.00022 -0.00013 -0.00072 -0.00169 173 4YY 0.00007 -0.00005 0.00006 0.00011 -0.00015 174 4ZZ 0.00012 -0.00016 0.00006 0.00042 0.00207 175 4XY 0.00011 -0.00016 0.00008 0.00026 -0.00072 176 4XZ -0.00010 0.00002 -0.00012 0.00059 -0.00003 177 4YZ 0.00018 -0.00018 0.00020 0.00023 -0.00145 178 18 H 1S 0.00122 -0.00082 0.00082 0.00340 0.00972 179 2S 0.00102 -0.00082 0.00042 0.00371 0.00837 180 19 H 1S -0.00122 -0.00082 -0.00082 0.00340 0.00972 181 2S -0.00102 -0.00082 -0.00042 0.00371 0.00837 182 20 H 1S -0.00013 -0.00010 -0.00009 -0.00051 -0.00080 183 2S -0.00030 -0.00027 -0.00015 0.00086 0.00062 184 21 H 1S 0.00013 -0.00010 0.00009 -0.00051 -0.00080 185 2S 0.00030 -0.00027 0.00015 0.00086 0.00062 186 22 O 1S -0.00007 -0.00002 0.00000 -0.00019 -0.00068 187 2S 0.00022 -0.00009 -0.00002 0.00137 0.00266 188 2PX 0.00145 -0.00167 0.00132 0.00427 -0.00053 189 2PY 0.00029 -0.00002 0.00023 -0.00130 0.00086 190 2PZ 0.00176 -0.00129 0.00200 0.00196 -0.00966 191 3S 0.00021 0.00052 0.00029 -0.00325 0.00000 192 3PX 0.00110 -0.00129 0.00089 0.00298 -0.00184 193 3PY 0.00019 -0.00021 0.00017 0.00069 0.00104 194 3PZ 0.00146 -0.00109 0.00162 0.00159 -0.00842 195 4XX -0.00003 -0.00002 -0.00002 0.00025 0.00005 196 4YY 0.00000 -0.00003 -0.00004 0.00029 -0.00001 197 4ZZ 0.00003 -0.00006 0.00001 0.00038 0.00039 198 4XY -0.00006 0.00004 -0.00006 0.00000 -0.00010 199 4XZ -0.00001 0.00000 0.00000 0.00003 -0.00008 200 4YZ -0.00003 0.00002 -0.00005 0.00014 0.00036 201 23 O 1S 0.00007 -0.00002 0.00000 -0.00019 -0.00068 202 2S -0.00022 -0.00009 0.00002 0.00137 0.00266 203 2PX -0.00145 -0.00167 -0.00132 0.00427 -0.00053 204 2PY 0.00029 0.00002 0.00023 0.00130 -0.00086 205 2PZ -0.00176 -0.00129 -0.00200 0.00196 -0.00966 206 3S -0.00021 0.00052 -0.00029 -0.00325 0.00000 207 3PX -0.00110 -0.00129 -0.00089 0.00298 -0.00184 208 3PY 0.00019 0.00021 0.00017 -0.00069 -0.00104 209 3PZ -0.00146 -0.00109 -0.00162 0.00159 -0.00842 210 4XX 0.00003 -0.00002 0.00002 0.00025 0.00005 211 4YY 0.00000 -0.00003 0.00004 0.00029 -0.00001 212 4ZZ -0.00003 -0.00006 -0.00001 0.00038 0.00039 213 4XY -0.00006 -0.00004 -0.00006 0.00000 0.00010 214 4XZ 0.00001 0.00000 0.00000 0.00003 -0.00008 215 4YZ -0.00003 -0.00002 -0.00005 -0.00014 -0.00036 86 87 88 89 90 86 11 H 1S 0.20917 87 2S 0.15546 0.13898 88 12 C 1S -0.00434 -0.00624 2.05570 89 2S 0.00904 0.01437 -0.05924 0.31847 90 2PX 0.02163 0.05338 0.00145 -0.00603 0.36791 91 2PY 0.00140 0.00332 -0.00313 -0.00004 -0.00064 92 2PZ 0.02960 0.06454 0.00509 -0.01187 -0.04034 93 3S 0.01795 0.03231 -0.23487 0.34193 -0.02016 94 3PX 0.02352 0.04530 0.00487 0.00053 0.20172 95 3PY 0.00640 0.01117 0.00428 0.00180 0.01374 96 3PZ 0.02236 0.04695 -0.01642 0.00749 0.03534 97 4XX -0.00009 -0.00086 -0.01342 -0.00942 -0.00694 98 4YY 0.00047 0.00056 -0.01639 -0.00198 0.00184 99 4ZZ -0.00158 -0.00141 -0.01493 -0.00559 0.00818 100 4XY -0.00088 -0.00200 0.00011 -0.00025 0.00529 101 4XZ -0.00122 -0.00104 0.00417 -0.00847 0.00180 102 4YZ -0.00040 -0.00148 0.00260 -0.00512 -0.01088 103 13 C 1S -0.00434 -0.00624 0.01663 -0.03553 -0.00953 104 2S 0.00904 0.01437 -0.03553 0.06349 0.01871 105 2PX 0.02163 0.05338 -0.00953 0.01871 0.12646 106 2PY -0.00140 -0.00332 -0.07730 0.15687 -0.01472 107 2PZ 0.02960 0.06454 -0.00965 0.01634 0.09033 108 3S 0.01794 0.03231 0.03073 -0.01015 0.05252 109 3PX 0.02352 0.04530 -0.01309 0.01711 0.07923 110 3PY -0.00640 -0.01117 0.00315 0.01427 -0.00252 111 3PZ 0.02236 0.04695 0.00212 0.00543 0.06691 112 4XX -0.00009 -0.00086 0.00280 -0.00612 -0.00339 113 4YY 0.00047 0.00056 -0.00643 0.01084 0.00022 114 4ZZ -0.00158 -0.00141 0.00232 -0.00554 0.00072 115 4XY 0.00088 0.00200 0.00037 -0.00087 0.01257 116 4XZ -0.00122 -0.00104 -0.00067 0.00140 -0.00142 117 4YZ 0.00040 0.00148 0.00047 -0.00069 0.00004 118 14 C 1S -0.00137 -0.00018 -0.00341 0.00781 -0.00169 119 2S 0.00419 0.00267 0.00908 -0.01886 0.00917 120 2PX 0.00748 0.00926 0.00899 -0.02203 0.01367 121 2PY 0.00264 -0.00019 0.00946 -0.02431 0.00258 122 2PZ 0.00531 0.01089 -0.00730 0.01538 0.01198 123 3S 0.00064 -0.00374 -0.00324 -0.01172 0.00910 124 3PX 0.00069 0.00039 0.00024 -0.00576 0.02119 125 3PY 0.00670 0.00330 -0.01099 0.01205 -0.01274 126 3PZ 0.00259 0.00431 -0.00338 0.00789 -0.00667 127 4XX 0.00113 0.00259 0.00038 -0.00114 0.00573 128 4YY -0.00039 -0.00076 -0.00186 0.00381 -0.00199 129 4ZZ -0.00092 -0.00160 0.00066 -0.00133 -0.00240 130 4XY 0.00080 0.00217 -0.00031 0.00072 0.00100 131 4XZ -0.00013 0.00052 -0.00053 0.00124 0.00128 132 4YZ 0.00076 0.00263 -0.00045 0.00067 0.00593 133 15 C 1S -0.00031 -0.00015 -0.00069 0.00077 -0.00555 134 2S 0.00232 0.00254 0.00021 -0.00157 0.01296 135 2PX 0.00056 0.00190 0.00316 -0.00830 -0.00042 136 2PY 0.00129 0.00201 0.00158 -0.00249 0.00595 137 2PZ 0.00006 0.00243 -0.00066 0.00269 -0.03301 138 3S -0.00223 -0.00044 0.00733 0.00253 0.03114 139 3PX -0.00174 -0.00079 0.00679 -0.00921 -0.00477 140 3PY -0.00051 -0.00088 0.00348 0.00163 -0.00503 141 3PZ 0.00094 0.00184 -0.00313 0.00379 -0.02446 142 4XX 0.00013 0.00048 -0.00011 -0.00006 0.00065 143 4YY 0.00029 0.00042 0.00010 -0.00001 0.00081 144 4ZZ -0.00029 -0.00061 -0.00011 -0.00011 -0.00124 145 4XY -0.00014 -0.00004 0.00050 -0.00116 0.00098 146 4XZ -0.00023 0.00003 -0.00023 0.00038 0.00080 147 4YZ 0.00002 0.00026 -0.00034 0.00083 -0.00133 148 16 C 1S -0.00031 -0.00015 -0.00564 0.01174 -0.01769 149 2S 0.00232 0.00254 0.01231 -0.02527 0.04103 150 2PX 0.00056 0.00190 0.01708 -0.03726 0.03871 151 2PY -0.00129 -0.00201 0.00730 -0.01625 0.02376 152 2PZ 0.00006 0.00243 -0.01143 0.02602 -0.05046 153 3S -0.00224 -0.00044 0.01894 -0.05252 0.10666 154 3PX -0.00174 -0.00079 0.00570 -0.01792 0.02462 155 3PY 0.00051 0.00088 0.01124 -0.01030 0.03863 156 3PZ 0.00094 0.00184 -0.00317 0.01097 -0.03511 157 4XX 0.00013 0.00048 -0.00107 0.00200 -0.00238 158 4YY 0.00029 0.00042 0.00030 -0.00038 0.00286 159 4ZZ -0.00029 -0.00061 -0.00042 0.00072 -0.00402 160 4XY 0.00014 0.00004 0.00061 -0.00121 0.00264 161 4XZ -0.00023 0.00003 0.00054 -0.00098 0.00430 162 4YZ -0.00002 -0.00026 -0.00064 0.00115 -0.00031 163 17 C 1S -0.00137 -0.00018 0.01410 -0.02937 0.05421 164 2S 0.00419 0.00267 -0.02990 0.05355 -0.11390 165 2PX 0.00748 0.00926 -0.05447 0.10875 -0.12922 166 2PY -0.00264 0.00019 0.03296 -0.05774 0.12235 167 2PZ 0.00531 0.01089 0.03101 -0.06074 0.15352 168 3S 0.00064 -0.00374 0.01361 0.00612 -0.10632 169 3PX 0.00069 0.00039 0.00831 0.00204 0.00043 170 3PY -0.00670 -0.00330 -0.01167 -0.00243 0.04375 171 3PZ 0.00259 0.00431 -0.00553 0.00370 0.03084 172 4XX 0.00113 0.00259 -0.00335 0.00494 0.00727 173 4YY -0.00039 -0.00076 0.00102 -0.00259 0.00115 174 4ZZ -0.00092 -0.00160 -0.00038 -0.00066 0.00048 175 4XY -0.00080 -0.00217 0.00616 -0.01145 0.00962 176 4XZ -0.00013 0.00052 0.00314 -0.00548 0.00265 177 4YZ -0.00076 -0.00263 -0.00441 0.00839 -0.01350 178 18 H 1S -0.00370 -0.00752 -0.06124 0.11770 0.12226 179 2S -0.00492 -0.00937 -0.01187 0.02691 0.10879 180 19 H 1S -0.00370 -0.00752 0.01197 -0.02568 -0.00897 181 2S -0.00492 -0.00937 0.01510 -0.02813 -0.02641 182 20 H 1S -0.00003 -0.00053 0.00094 -0.00128 -0.00183 183 2S -0.00088 -0.00214 0.00686 -0.01143 0.00042 184 21 H 1S -0.00003 -0.00053 -0.00676 0.01375 -0.02259 185 2S -0.00088 -0.00214 -0.01486 0.02719 -0.05707 186 22 O 1S -0.00005 0.00025 -0.00282 0.00538 -0.00269 187 2S -0.00116 -0.00140 0.00573 -0.01244 0.00991 188 2PX -0.00832 -0.02401 0.02875 -0.04842 0.03561 189 2PY 0.00010 -0.00309 -0.01286 0.02094 -0.03200 190 2PZ -0.00604 -0.02168 -0.01870 0.03915 -0.05631 191 3S 0.00647 0.00422 0.01054 -0.00577 -0.00905 192 3PX -0.00630 -0.01824 0.02226 -0.04014 0.02836 193 3PY -0.00217 -0.00406 -0.00754 0.00936 -0.01419 194 3PZ -0.00499 -0.01754 -0.01415 0.03116 -0.05524 195 4XX -0.00037 -0.00024 -0.00073 0.00007 0.00144 196 4YY -0.00028 -0.00007 -0.00002 -0.00077 0.00027 197 4ZZ -0.00060 -0.00069 -0.00080 -0.00001 0.00054 198 4XY 0.00008 0.00071 0.00012 -0.00047 0.00192 199 4XZ -0.00005 -0.00013 0.00003 -0.00022 -0.00008 200 4YZ 0.00007 0.00062 -0.00014 -0.00014 -0.00204 201 23 O 1S -0.00005 0.00025 0.00112 -0.00269 0.00134 202 2S -0.00116 -0.00140 -0.00244 0.00561 -0.00155 203 2PX -0.00832 -0.02401 -0.00875 0.01347 -0.01938 204 2PY -0.00010 0.00309 -0.00730 0.01951 0.00014 205 2PZ -0.00604 -0.02168 0.00893 -0.01485 -0.04296 206 3S 0.00647 0.00422 -0.00776 0.01514 -0.01519 207 3PX -0.00630 -0.01824 -0.00629 0.01109 -0.02014 208 3PY 0.00217 0.00406 -0.00507 0.01375 -0.00266 209 3PZ -0.00499 -0.01754 0.00720 -0.01269 -0.03288 210 4XX -0.00037 -0.00024 0.00016 -0.00068 0.00101 211 4YY -0.00028 -0.00007 0.00018 -0.00001 0.00067 212 4ZZ -0.00060 -0.00069 0.00014 -0.00062 0.00012 213 4XY -0.00008 -0.00071 0.00005 -0.00014 -0.00073 214 4XZ -0.00005 -0.00013 -0.00019 0.00035 -0.00026 215 4YZ -0.00007 -0.00062 0.00012 -0.00013 -0.00159 91 92 93 94 95 91 2PY 0.42070 92 2PZ -0.01215 0.37981 93 3S 0.08049 0.05803 0.55077 94 3PX -0.00184 0.02939 -0.01593 0.12665 95 3PY 0.12904 0.01196 -0.01135 0.01127 0.06783 96 3PZ 0.01924 0.20401 0.07121 0.04359 0.01222 97 4XX 0.00696 0.00255 -0.00827 -0.00319 0.00109 98 4YY -0.01326 -0.00063 -0.00616 0.00122 -0.00212 99 4ZZ 0.01015 -0.00506 -0.00366 0.00361 0.00275 100 4XY -0.00320 -0.01098 -0.00171 0.00106 -0.00161 101 4XZ -0.00834 0.00361 -0.00907 0.00097 -0.00240 102 4YZ -0.00333 0.00928 -0.00632 -0.00448 -0.00137 103 13 C 1S 0.07730 -0.00965 0.03073 -0.01309 -0.00315 104 2S -0.15687 0.01634 -0.01015 0.01711 -0.01427 105 2PX 0.01471 0.09033 0.05252 0.07923 0.00252 106 2PY -0.31983 -0.01355 0.13512 -0.01034 -0.11218 107 2PZ 0.01355 0.09992 0.04785 0.06045 0.03019 108 3S -0.13512 0.04785 -0.17859 0.04615 0.04964 109 3PX 0.01034 0.06045 0.04615 0.04911 0.00377 110 3PY -0.11218 -0.03019 -0.04964 -0.00377 -0.02297 111 3PZ 0.02380 0.06418 0.01465 0.04639 0.02953 112 4XX 0.00892 -0.00297 -0.00513 -0.00246 0.00212 113 4YY -0.00633 -0.00017 0.01281 0.00044 -0.00328 114 4ZZ 0.00970 -0.00020 -0.00403 0.00003 0.00266 115 4XY 0.00226 0.00001 -0.00039 0.00739 0.00127 116 4XZ -0.00213 -0.00133 0.00254 -0.00123 -0.00166 117 4YZ -0.00074 0.01332 0.00015 0.00202 0.00061 118 14 C 1S -0.01402 0.00455 -0.00945 0.00354 -0.00138 119 2S 0.03691 -0.00798 -0.00356 0.00183 0.01355 120 2PX 0.03561 -0.01233 -0.02400 0.01022 0.01499 121 2PY 0.03579 -0.01033 -0.06830 -0.00004 0.04309 122 2PZ -0.00715 0.01886 0.03572 -0.00489 -0.00466 123 3S 0.05738 -0.03944 0.01399 -0.00799 0.01650 124 3PX 0.00859 -0.01715 -0.00532 0.01027 -0.00524 125 3PY -0.02033 -0.00726 0.02353 -0.01113 -0.01084 126 3PZ -0.00114 0.01116 0.02168 -0.00910 0.00255 127 4XX 0.00500 0.00420 -0.00318 0.00370 0.00466 128 4YY -0.00970 -0.00013 0.00455 -0.00080 -0.00470 129 4ZZ 0.00135 -0.00262 -0.00335 -0.00154 0.00024 130 4XY -0.00199 0.00157 -0.00693 0.00067 0.00549 131 4XZ -0.00118 0.00100 0.00256 0.00083 -0.00067 132 4YZ 0.00267 0.00411 0.00723 0.00452 -0.00238 133 15 C 1S -0.00244 -0.00019 0.00004 -0.00538 -0.00049 134 2S 0.00579 0.00136 0.01046 0.00990 -0.00257 135 2PX 0.00711 -0.01691 -0.00512 -0.00748 -0.00906 136 2PY 0.00155 -0.00728 -0.01116 0.00686 0.01068 137 2PZ -0.01354 -0.02480 -0.00756 -0.01992 -0.00706 138 3S 0.00701 0.00479 0.06266 0.02598 -0.03090 139 3PX 0.00347 -0.00891 -0.01462 -0.00406 -0.00473 140 3PY 0.00786 -0.00252 0.02824 -0.00094 -0.00213 141 3PZ -0.01004 -0.01980 0.00444 -0.01660 -0.00814 142 4XX 0.00096 0.00097 0.00024 0.00032 0.00058 143 4YY -0.00079 -0.00006 -0.00033 0.00053 -0.00034 144 4ZZ -0.00014 -0.00087 -0.00068 -0.00070 -0.00004 145 4XY -0.00208 -0.00181 -0.00505 0.00147 -0.00126 146 4XZ -0.00036 0.00022 0.00070 0.00038 -0.00025 147 4YZ 0.00110 0.00089 0.00271 -0.00134 0.00079 148 16 C 1S 0.00621 0.01187 0.02646 -0.01054 0.00462 149 2S -0.01337 -0.02701 -0.06299 0.02630 -0.00455 150 2PX -0.02442 -0.04430 -0.11911 0.03617 -0.03164 151 2PY -0.01525 -0.01907 -0.03874 0.00959 -0.01208 152 2PZ 0.01122 0.01410 0.06942 -0.04213 0.01553 153 3S -0.03209 -0.07043 -0.15942 0.05097 0.00617 154 3PX -0.00840 -0.03456 -0.04711 0.01254 -0.01607 155 3PY -0.01389 -0.02527 -0.00139 0.02176 -0.01805 156 3PZ -0.00050 0.00556 0.01647 -0.02133 0.00627 157 4XX 0.00215 0.00510 0.00300 -0.00084 0.00079 158 4YY -0.00048 -0.00135 0.00011 0.00158 0.00040 159 4ZZ 0.00043 -0.00092 0.00111 -0.00240 -0.00015 160 4XY -0.00036 -0.00049 -0.00500 0.00289 -0.00040 161 4XZ -0.00101 -0.00141 -0.00070 0.00204 0.00003 162 4YZ 0.00090 0.00230 0.00376 -0.00100 0.00114 163 17 C 1S -0.03584 -0.03570 0.02047 0.00033 -0.01644 164 2S 0.08053 0.07604 -0.00257 -0.01740 0.02632 165 2PX 0.12702 0.15561 0.15402 -0.06002 0.06616 166 2PY -0.06354 -0.06849 -0.11317 0.06878 0.01882 167 2PZ -0.06393 -0.00963 -0.09140 0.08586 -0.03001 168 3S 0.06223 0.06649 -0.04889 -0.02053 0.01591 169 3PX 0.01552 0.02880 -0.01466 0.00581 0.01071 170 3PY 0.02768 -0.02110 0.03226 0.00951 0.00583 171 3PZ -0.00489 0.02275 0.00647 0.01867 0.00173 172 4XX 0.00795 0.00620 0.01427 0.00335 0.00142 173 4YY -0.01302 -0.00256 -0.00718 0.00023 -0.00239 174 4ZZ 0.00147 -0.00968 0.00110 -0.00265 -0.00105 175 4XY -0.00448 -0.01227 -0.02904 0.00486 0.00057 176 4XZ -0.00533 0.00498 -0.00489 0.00182 -0.00105 177 4YZ 0.00320 -0.00092 0.01823 -0.00918 -0.00088 178 18 H 1S 0.13332 -0.19798 0.11828 0.04306 0.03798 179 2S 0.09887 -0.16590 0.00422 0.03775 0.02833 180 19 H 1S 0.03919 0.01495 -0.04656 -0.00112 0.01778 181 2S 0.06258 0.02568 -0.02069 -0.01049 0.01262 182 20 H 1S -0.00861 -0.00421 -0.00950 0.00310 -0.00480 183 2S -0.00560 -0.01314 -0.04183 0.00360 0.00421 184 21 H 1S 0.00859 0.01593 0.04551 -0.02318 0.01279 185 2S 0.02511 0.03574 0.08774 -0.04329 0.00934 186 22 O 1S 0.01047 0.00110 0.00337 0.00508 0.00052 187 2S -0.02305 -0.00482 -0.02107 -0.00521 0.00472 188 2PX -0.06770 -0.06075 -0.28919 0.02728 0.03414 189 2PY 0.03673 0.01487 0.10735 -0.05634 -0.01946 190 2PZ 0.03709 -0.01522 0.15040 -0.04740 -0.01668 191 3S -0.06021 0.00908 -0.00502 -0.02309 -0.01138 192 3PX -0.05880 -0.05468 -0.21149 0.01927 0.01808 193 3PY 0.03124 0.00269 0.05571 -0.02997 -0.00654 194 3PZ 0.03008 -0.01596 0.11143 -0.04331 -0.01124 195 4XX 0.00219 0.00019 0.00121 0.00030 0.00052 196 4YY 0.00142 -0.00038 -0.00603 0.00321 0.00192 197 4ZZ 0.00128 -0.00166 0.00257 -0.00062 -0.00052 198 4XY -0.00084 -0.00157 0.00854 0.00023 -0.00340 199 4XZ -0.00114 0.00063 -0.00084 0.00001 -0.00016 200 4YZ 0.00025 0.00108 -0.00306 -0.00070 0.00128 201 23 O 1S 0.00581 -0.00050 -0.00207 -0.00179 0.00302 202 2S -0.01227 0.00035 0.01151 0.00376 -0.00952 203 2PX -0.04402 -0.01401 0.11916 -0.00849 -0.10152 204 2PY -0.03258 0.00567 0.06339 -0.00109 -0.03501 205 2PZ 0.00419 -0.02966 -0.07724 -0.04437 0.04145 206 3S -0.04220 0.00505 0.01117 -0.00309 -0.01524 207 3PX -0.03629 -0.00810 0.08488 -0.00974 -0.07286 208 3PY -0.02808 0.00590 0.03586 -0.00193 -0.02165 209 3PZ 0.00289 -0.02552 -0.06077 -0.03206 0.02914 210 4XX 0.00181 -0.00015 -0.00076 0.00061 0.00064 211 4YY 0.00068 0.00003 0.00265 0.00025 -0.00100 212 4ZZ 0.00110 -0.00069 -0.00197 -0.00010 0.00102 213 4XY -0.00054 -0.00089 0.00452 -0.00031 -0.00377 214 4XZ -0.00081 -0.00026 0.00057 -0.00025 -0.00044 215 4YZ -0.00025 -0.00090 -0.00187 -0.00209 0.00124 96 97 98 99 100 96 3PZ 0.13016 97 4XX 0.00064 0.00095 98 4YY -0.00146 -0.00022 0.00091 99 4ZZ -0.00119 0.00022 -0.00017 0.00083 100 4XY -0.00483 -0.00015 0.00001 0.00024 0.00099 101 4XZ 0.00178 0.00012 0.00031 -0.00012 0.00009 102 4YZ 0.00268 0.00037 0.00011 -0.00025 -0.00037 103 13 C 1S 0.00212 0.00280 -0.00643 0.00232 -0.00037 104 2S 0.00543 -0.00612 0.01084 -0.00554 0.00087 105 2PX 0.06691 -0.00339 0.00022 0.00072 -0.01257 106 2PY -0.02380 -0.00892 0.00633 -0.00970 0.00226 107 2PZ 0.06418 -0.00297 -0.00017 -0.00020 -0.00001 108 3S 0.01465 -0.00513 0.01281 -0.00403 0.00039 109 3PX 0.04639 -0.00246 0.00044 0.00003 -0.00739 110 3PY -0.02953 -0.00212 0.00328 -0.00266 0.00127 111 3PZ 0.04105 -0.00215 0.00015 0.00024 -0.00220 112 4XX -0.00215 0.00044 -0.00035 0.00025 0.00015 113 4YY 0.00015 -0.00035 0.00004 -0.00026 0.00000 114 4ZZ 0.00024 0.00025 -0.00026 0.00037 -0.00034 115 4XY 0.00220 -0.00015 0.00000 0.00034 0.00044 116 4XZ -0.00154 -0.00002 -0.00016 -0.00006 -0.00007 117 4YZ 0.00763 0.00007 0.00009 -0.00015 -0.00058 118 14 C 1S -0.00339 -0.00021 -0.00053 -0.00047 -0.00161 119 2S 0.00363 0.00064 0.00092 0.00129 0.00339 120 2PX -0.00471 0.00012 0.00177 0.00130 0.00429 121 2PY -0.00458 0.00020 0.00147 0.00002 0.00438 122 2PZ 0.01409 -0.00116 -0.00111 -0.00051 -0.00538 123 3S -0.01070 0.00075 -0.00040 0.00183 0.00376 124 3PX -0.00663 -0.00011 0.00006 0.00086 0.00043 125 3PY -0.00238 -0.00035 0.00027 -0.00099 0.00174 126 3PZ 0.00672 -0.00059 -0.00002 -0.00041 -0.00129 127 4XX 0.00288 -0.00005 0.00006 0.00008 -0.00027 128 4YY -0.00098 -0.00017 0.00012 -0.00027 0.00000 129 4ZZ -0.00159 0.00008 -0.00004 0.00007 0.00001 130 4XY 0.00086 -0.00015 0.00025 0.00002 0.00032 131 4XZ 0.00040 -0.00008 -0.00010 -0.00002 -0.00009 132 4YZ 0.00344 -0.00020 -0.00017 0.00012 -0.00054 133 15 C 1S 0.00148 0.00016 0.00001 -0.00020 0.00050 134 2S 0.00006 -0.00054 0.00000 0.00010 -0.00124 135 2PX -0.00139 -0.00081 -0.00061 0.00098 -0.00124 136 2PY -0.00709 -0.00101 0.00106 -0.00006 0.00141 137 2PZ -0.01608 -0.00089 0.00025 0.00122 0.00129 138 3S 0.00043 -0.00160 -0.00011 0.00036 -0.00339 139 3PX -0.00255 -0.00023 -0.00026 0.00054 -0.00104 140 3PY -0.00401 -0.00070 0.00039 -0.00004 0.00145 141 3PZ -0.00988 -0.00038 -0.00001 0.00052 0.00092 142 4XX 0.00081 -0.00002 0.00002 0.00004 0.00004 143 4YY 0.00001 0.00001 -0.00003 0.00003 -0.00005 144 4ZZ -0.00058 0.00007 0.00001 -0.00002 0.00012 145 4XY -0.00146 0.00005 -0.00004 0.00014 0.00018 146 4XZ 0.00022 -0.00006 0.00000 0.00001 -0.00013 147 4YZ 0.00089 -0.00015 0.00003 0.00003 -0.00008 148 16 C 1S 0.00505 -0.00059 0.00030 -0.00074 -0.00059 149 2S -0.01302 0.00106 -0.00038 0.00162 0.00117 150 2PX -0.02778 0.00199 -0.00232 0.00429 0.00248 151 2PY -0.00481 0.00172 -0.00090 0.00134 0.00087 152 2PZ 0.00981 -0.00423 0.00169 0.00001 -0.00056 153 3S -0.02235 0.00107 0.00001 0.00341 0.00298 154 3PX -0.01326 0.00040 -0.00149 0.00257 0.00210 155 3PY -0.01121 -0.00040 0.00030 0.00113 0.00109 156 3PZ -0.00107 -0.00182 0.00104 0.00008 -0.00052 157 4XX 0.00257 -0.00001 -0.00010 0.00001 -0.00018 158 4YY -0.00086 -0.00016 0.00016 0.00005 0.00002 159 4ZZ -0.00069 0.00016 -0.00002 -0.00016 -0.00010 160 4XY -0.00130 0.00015 -0.00004 0.00016 0.00010 161 4XZ -0.00039 -0.00021 0.00014 0.00010 0.00012 162 4YZ 0.00144 -0.00015 0.00006 -0.00011 -0.00004 163 17 C 1S 0.00412 -0.00327 0.00058 0.00008 0.00438 164 2S 0.00531 0.00582 -0.00251 -0.00132 -0.00858 165 2PX 0.06795 -0.00285 -0.00197 -0.00195 -0.00709 166 2PY -0.04958 -0.00502 0.00972 0.00179 0.00032 167 2PZ -0.00432 -0.00416 0.00100 0.00721 0.00649 168 3S 0.00172 0.00585 -0.00259 -0.00098 -0.00652 169 3PX 0.00696 -0.00135 0.00046 0.00088 -0.00144 170 3PY 0.00581 -0.00146 -0.00088 0.00194 0.00162 171 3PZ 0.00788 -0.00264 0.00032 0.00247 0.00174 172 4XX 0.00731 -0.00008 -0.00053 0.00013 0.00011 173 4YY -0.00309 -0.00028 0.00072 -0.00019 0.00008 174 4ZZ -0.00352 -0.00012 -0.00025 0.00021 0.00050 175 4XY -0.00827 0.00005 0.00030 0.00047 0.00044 176 4XZ 0.00290 0.00000 0.00026 -0.00011 -0.00006 177 4YZ -0.00295 -0.00028 -0.00018 -0.00015 0.00016 178 18 H 1S -0.07670 -0.00427 -0.00388 0.00628 0.00624 179 2S -0.06535 -0.00150 -0.00311 0.00631 0.00621 180 19 H 1S 0.01129 0.00126 0.00198 0.00068 -0.00470 181 2S 0.01515 0.00231 -0.00081 0.00097 -0.00490 182 20 H 1S -0.00616 0.00053 -0.00008 0.00031 0.00079 183 2S -0.01103 0.00103 -0.00008 0.00073 0.00237 184 21 H 1S 0.01315 -0.00100 0.00075 -0.00123 -0.00115 185 2S 0.02387 -0.00053 -0.00060 -0.00192 -0.00186 186 22 O 1S -0.00420 -0.00033 -0.00116 -0.00001 0.00036 187 2S 0.00254 0.00069 0.00262 0.00052 -0.00070 188 2PX -0.07584 -0.00318 0.00707 0.00172 0.00023 189 2PY 0.04540 0.00060 -0.00776 0.00118 0.00542 190 2PZ -0.03849 -0.00509 -0.00183 0.00402 0.00427 191 3S 0.01445 0.00045 0.00214 -0.00076 0.00102 192 3PX -0.05878 -0.00192 0.00500 0.00112 0.00089 193 3PY 0.02249 0.00055 -0.00436 0.00114 0.00280 194 3PZ -0.03033 -0.00307 -0.00150 0.00218 0.00270 195 4XX 0.00084 -0.00006 -0.00012 0.00008 0.00007 196 4YY -0.00266 0.00014 0.00033 -0.00005 -0.00050 197 4ZZ -0.00031 -0.00008 -0.00013 0.00011 0.00016 198 4XY 0.00166 0.00020 -0.00027 -0.00004 0.00020 199 4XZ -0.00006 -0.00004 0.00006 0.00001 0.00001 200 4YZ 0.00210 0.00034 0.00001 -0.00037 -0.00033 201 23 O 1S 0.00215 0.00020 0.00018 0.00016 0.00000 202 2S -0.00319 -0.00040 -0.00022 -0.00012 -0.00026 203 2PX -0.01074 -0.00015 0.00025 -0.00210 -0.00139 204 2PY 0.00672 -0.00028 -0.00030 0.00015 -0.00162 205 2PZ -0.02304 0.00251 -0.00011 0.00030 0.00301 206 3S -0.00381 -0.00105 0.00028 -0.00169 0.00074 207 3PX -0.00780 -0.00005 0.00014 -0.00182 -0.00115 208 3PY 0.00464 -0.00037 0.00001 -0.00033 -0.00073 209 3PZ -0.01950 0.00202 -0.00002 0.00023 0.00275 210 4XX -0.00006 0.00002 0.00000 0.00005 -0.00006 211 4YY 0.00049 0.00004 -0.00004 0.00011 -0.00006 212 4ZZ -0.00043 0.00003 0.00000 0.00005 -0.00001 213 4XY -0.00054 0.00002 0.00003 -0.00004 0.00005 214 4XZ -0.00026 -0.00002 0.00001 -0.00003 0.00001 215 4YZ -0.00068 0.00008 -0.00003 -0.00001 -0.00003 101 102 103 104 105 101 4XZ 0.00067 102 4YZ 0.00030 0.00118 103 13 C 1S -0.00067 -0.00047 2.05570 104 2S 0.00140 0.00069 -0.05924 0.31847 105 2PX -0.00142 -0.00004 0.00145 -0.00603 0.36791 106 2PY 0.00213 -0.00074 0.00313 0.00004 0.00064 107 2PZ -0.00133 -0.01332 0.00509 -0.01187 -0.04034 108 3S 0.00254 -0.00015 -0.23487 0.34193 -0.02016 109 3PX -0.00123 -0.00202 0.00487 0.00053 0.20172 110 3PY 0.00166 0.00061 -0.00428 -0.00180 -0.01374 111 3PZ -0.00154 -0.00763 -0.01642 0.00749 0.03534 112 4XX -0.00002 -0.00007 -0.01342 -0.00942 -0.00694 113 4YY -0.00016 -0.00009 -0.01639 -0.00198 0.00184 114 4ZZ -0.00006 0.00015 -0.01493 -0.00559 0.00818 115 4XY 0.00007 -0.00058 -0.00011 0.00025 -0.00529 116 4XZ -0.00001 -0.00019 0.00417 -0.00847 0.00180 117 4YZ 0.00019 0.00075 -0.00260 0.00512 0.01088 118 14 C 1S -0.00006 0.00117 0.01410 -0.02937 0.05421 119 2S 0.00011 -0.00241 -0.02990 0.05355 -0.11390 120 2PX -0.00058 -0.00579 -0.05447 0.10875 -0.12922 121 2PY -0.00006 -0.00215 -0.03295 0.05774 -0.12235 122 2PZ -0.00088 0.00015 0.03101 -0.06074 0.15352 123 3S -0.00011 -0.00335 0.01361 0.00612 -0.10632 124 3PX -0.00045 -0.00175 0.00831 0.00204 0.00043 125 3PY 0.00025 -0.00079 0.01167 0.00243 -0.04375 126 3PZ -0.00037 -0.00060 -0.00553 0.00370 0.03084 127 4XX -0.00009 -0.00026 -0.00335 0.00494 0.00727 128 4YY 0.00013 0.00013 0.00102 -0.00259 0.00115 129 4ZZ -0.00001 0.00034 -0.00038 -0.00066 0.00048 130 4XY -0.00001 -0.00047 -0.00616 0.01145 -0.00962 131 4XZ -0.00003 -0.00022 0.00314 -0.00548 0.00265 132 4YZ -0.00016 -0.00014 0.00441 -0.00839 0.01350 133 15 C 1S -0.00016 -0.00027 -0.00564 0.01174 -0.01769 134 2S 0.00029 0.00073 0.01232 -0.02527 0.04103 135 2PX -0.00104 0.00102 0.01708 -0.03726 0.03871 136 2PY 0.00100 -0.00131 -0.00730 0.01625 -0.02376 137 2PZ -0.00065 -0.00089 -0.01143 0.02602 -0.05046 138 3S 0.00020 0.00220 0.01894 -0.05252 0.10666 139 3PX -0.00043 0.00104 0.00570 -0.01792 0.02462 140 3PY 0.00045 -0.00089 -0.01124 0.01030 -0.03863 141 3PZ -0.00032 -0.00068 -0.00317 0.01097 -0.03511 142 4XX -0.00005 -0.00015 -0.00107 0.00200 -0.00238 143 4YY -0.00001 0.00001 0.00030 -0.00038 0.00286 144 4ZZ 0.00003 0.00006 -0.00042 0.00072 -0.00402 145 4XY -0.00012 -0.00007 -0.00061 0.00121 -0.00264 146 4XZ 0.00000 0.00001 0.00054 -0.00098 0.00430 147 4YZ 0.00003 0.00012 0.00064 -0.00115 0.00031 148 16 C 1S 0.00048 0.00058 -0.00069 0.00077 -0.00555 149 2S -0.00101 -0.00132 0.00021 -0.00157 0.01296 150 2PX -0.00402 -0.00076 0.00316 -0.00830 -0.00042 151 2PY -0.00155 -0.00055 -0.00158 0.00249 -0.00595 152 2PZ 0.00116 0.00232 -0.00066 0.00269 -0.03301 153 3S -0.00059 -0.00391 0.00733 0.00253 0.03114 154 3PX -0.00183 -0.00124 0.00679 -0.00921 -0.00477 155 3PY -0.00023 -0.00103 -0.00348 -0.00163 0.00503 156 3PZ 0.00025 0.00181 -0.00313 0.00379 -0.02446 157 4XX -0.00017 0.00018 -0.00011 -0.00006 0.00065 158 4YY 0.00012 -0.00004 0.00010 -0.00001 0.00081 159 4ZZ 0.00001 0.00003 -0.00011 -0.00011 -0.00124 160 4XY -0.00014 -0.00004 -0.00050 0.00116 -0.00098 161 4XZ 0.00015 -0.00010 -0.00023 0.00038 0.00080 162 4YZ 0.00009 0.00012 0.00034 -0.00083 0.00133 163 17 C 1S 0.00306 -0.00280 -0.00341 0.00781 -0.00169 164 2S -0.00632 0.00540 0.00908 -0.01886 0.00917 165 2PX -0.00403 0.00729 0.00899 -0.02203 0.01367 166 2PY 0.00652 -0.00063 -0.00946 0.02431 -0.00258 167 2PZ -0.00090 -0.00046 -0.00730 0.01538 0.01198 168 3S -0.00387 0.00635 -0.00324 -0.01172 0.00910 169 3PX -0.00096 0.00260 0.00024 -0.00576 0.02119 170 3PY 0.00053 -0.00237 0.01099 -0.01205 0.01274 171 3PZ -0.00120 0.00104 -0.00338 0.00789 -0.00667 172 4XX -0.00011 -0.00040 0.00038 -0.00114 0.00573 173 4YY 0.00038 0.00014 -0.00186 0.00381 -0.00199 174 4ZZ -0.00010 -0.00038 0.00066 -0.00133 -0.00240 175 4XY -0.00003 -0.00012 0.00031 -0.00072 -0.00100 176 4XZ 0.00047 0.00016 -0.00053 0.00124 0.00128 177 4YZ -0.00031 0.00034 0.00045 -0.00067 -0.00593 178 18 H 1S -0.00724 -0.01140 0.01197 -0.02568 -0.00897 179 2S -0.00437 -0.00923 0.01510 -0.02813 -0.02641 180 19 H 1S 0.00025 0.00775 -0.06124 0.11770 0.12226 181 2S -0.00013 0.00713 -0.01187 0.02691 0.10879 182 20 H 1S -0.00024 -0.00051 -0.00676 0.01375 -0.02259 183 2S -0.00041 -0.00136 -0.01486 0.02719 -0.05707 184 21 H 1S 0.00098 0.00096 0.00094 -0.00128 -0.00183 185 2S 0.00042 0.00187 0.00686 -0.01143 0.00042 186 22 O 1S -0.00003 -0.00031 0.00112 -0.00269 0.00134 187 2S 0.00048 0.00048 -0.00244 0.00561 -0.00155 188 2PX -0.00141 0.00350 -0.00875 0.01347 -0.01938 189 2PY -0.00378 -0.00246 0.00730 -0.01951 -0.00014 190 2PZ -0.00402 0.00353 0.00893 -0.01485 -0.04296 191 3S 0.00012 0.00050 -0.00776 0.01514 -0.01519 192 3PX -0.00072 0.00191 -0.00629 0.01109 -0.02014 193 3PY -0.00224 -0.00141 0.00507 -0.01375 0.00266 194 3PZ -0.00279 0.00246 0.00720 -0.01269 -0.03288 195 4XX -0.00001 -0.00006 0.00016 -0.00068 0.00101 196 4YY 0.00012 0.00017 0.00018 -0.00001 0.00067 197 4ZZ -0.00003 -0.00009 0.00014 -0.00062 0.00012 198 4XY 0.00016 -0.00037 -0.00005 0.00014 0.00073 199 4XZ 0.00001 0.00008 -0.00019 0.00035 -0.00026 200 4YZ 0.00019 -0.00016 -0.00012 0.00013 0.00159 201 23 O 1S -0.00008 0.00000 -0.00282 0.00538 -0.00269 202 2S 0.00023 -0.00002 0.00573 -0.01244 0.00991 203 2PX 0.00070 0.00332 0.02875 -0.04842 0.03561 204 2PY 0.00032 0.00047 0.01286 -0.02094 0.03200 205 2PZ 0.00124 0.00143 -0.01870 0.03915 -0.05631 206 3S 0.00032 -0.00023 0.01054 -0.00577 -0.00905 207 3PX 0.00064 0.00295 0.02226 -0.04014 0.02836 208 3PY 0.00019 0.00017 0.00754 -0.00936 0.01419 209 3PZ 0.00103 0.00121 -0.01415 0.03116 -0.05524 210 4XX -0.00002 -0.00002 -0.00073 0.00007 0.00144 211 4YY 0.00001 0.00001 -0.00002 -0.00077 0.00027 212 4ZZ 0.00001 0.00005 -0.00080 -0.00001 0.00054 213 4XY 0.00001 -0.00001 -0.00012 0.00047 -0.00192 214 4XZ 0.00001 -0.00002 0.00003 -0.00022 -0.00008 215 4YZ 0.00003 0.00007 0.00014 0.00014 0.00204 106 107 108 109 110 106 2PY 0.42070 107 2PZ 0.01215 0.37981 108 3S -0.08049 0.05803 0.55077 109 3PX 0.00184 0.02939 -0.01593 0.12665 110 3PY 0.12904 -0.01196 0.01135 -0.01127 0.06783 111 3PZ -0.01924 0.20401 0.07121 0.04359 -0.01222 112 4XX -0.00696 0.00255 -0.00827 -0.00319 -0.00109 113 4YY 0.01326 -0.00063 -0.00616 0.00122 0.00212 114 4ZZ -0.01015 -0.00506 -0.00366 0.00361 -0.00275 115 4XY -0.00320 0.01098 0.00171 -0.00106 -0.00161 116 4XZ 0.00834 0.00361 -0.00907 0.00097 0.00240 117 4YZ -0.00333 -0.00928 0.00632 0.00448 -0.00137 118 14 C 1S 0.03584 -0.03570 0.02047 0.00033 0.01644 119 2S -0.08052 0.07604 -0.00257 -0.01740 -0.02632 120 2PX -0.12702 0.15561 0.15402 -0.06002 -0.06616 121 2PY -0.06353 0.06849 0.11317 -0.06878 0.01883 122 2PZ 0.06393 -0.00963 -0.09140 0.08586 0.03001 123 3S -0.06223 0.06649 -0.04889 -0.02053 -0.01591 124 3PX -0.01552 0.02880 -0.01466 0.00581 -0.01071 125 3PY 0.02768 0.02110 -0.03226 -0.00951 0.00583 126 3PZ 0.00489 0.02275 0.00647 0.01867 -0.00173 127 4XX -0.00795 0.00620 0.01427 0.00335 -0.00142 128 4YY 0.01302 -0.00256 -0.00718 0.00023 0.00239 129 4ZZ -0.00147 -0.00968 0.00110 -0.00265 0.00105 130 4XY -0.00448 0.01227 0.02904 -0.00486 0.00057 131 4XZ 0.00533 0.00498 -0.00489 0.00182 0.00105 132 4YZ 0.00320 0.00092 -0.01823 0.00918 -0.00088 133 15 C 1S -0.00621 0.01187 0.02646 -0.01054 -0.00462 134 2S 0.01336 -0.02701 -0.06299 0.02630 0.00455 135 2PX 0.02442 -0.04430 -0.11911 0.03617 0.03164 136 2PY -0.01525 0.01907 0.03874 -0.00959 -0.01208 137 2PZ -0.01122 0.01410 0.06942 -0.04213 -0.01553 138 3S 0.03209 -0.07043 -0.15942 0.05097 -0.00617 139 3PX 0.00840 -0.03456 -0.04711 0.01254 0.01607 140 3PY -0.01389 0.02527 0.00139 -0.02176 -0.01805 141 3PZ 0.00050 0.00556 0.01647 -0.02133 -0.00627 142 4XX -0.00215 0.00510 0.00300 -0.00084 -0.00079 143 4YY 0.00048 -0.00135 0.00011 0.00158 -0.00040 144 4ZZ -0.00043 -0.00092 0.00111 -0.00240 0.00015 145 4XY -0.00036 0.00049 0.00500 -0.00289 -0.00040 146 4XZ 0.00101 -0.00141 -0.00070 0.00204 -0.00003 147 4YZ 0.00090 -0.00230 -0.00376 0.00100 0.00114 148 16 C 1S 0.00244 -0.00019 0.00004 -0.00538 0.00049 149 2S -0.00579 0.00136 0.01046 0.00990 0.00257 150 2PX -0.00711 -0.01691 -0.00512 -0.00748 0.00906 151 2PY 0.00155 0.00728 0.01116 -0.00686 0.01068 152 2PZ 0.01354 -0.02480 -0.00756 -0.01992 0.00706 153 3S -0.00701 0.00479 0.06266 0.02598 0.03090 154 3PX -0.00347 -0.00891 -0.01462 -0.00406 0.00473 155 3PY 0.00786 0.00252 -0.02824 0.00094 -0.00213 156 3PZ 0.01004 -0.01980 0.00444 -0.01660 0.00814 157 4XX -0.00096 0.00097 0.00024 0.00032 -0.00058 158 4YY 0.00079 -0.00006 -0.00033 0.00053 0.00034 159 4ZZ 0.00014 -0.00087 -0.00068 -0.00070 0.00004 160 4XY -0.00208 0.00181 0.00505 -0.00147 -0.00126 161 4XZ 0.00036 0.00022 0.00070 0.00038 0.00025 162 4YZ 0.00110 -0.00089 -0.00271 0.00134 0.00079 163 17 C 1S 0.01402 0.00455 -0.00945 0.00354 0.00138 164 2S -0.03691 -0.00798 -0.00356 0.00183 -0.01355 165 2PX -0.03561 -0.01233 -0.02400 0.01022 -0.01499 166 2PY 0.03579 0.01033 0.06830 0.00004 0.04309 167 2PZ 0.00715 0.01886 0.03572 -0.00489 0.00466 168 3S -0.05738 -0.03944 0.01399 -0.00799 -0.01650 169 3PX -0.00859 -0.01715 -0.00532 0.01027 0.00524 170 3PY -0.02033 0.00726 -0.02353 0.01113 -0.01084 171 3PZ 0.00114 0.01116 0.02168 -0.00910 -0.00255 172 4XX -0.00500 0.00420 -0.00318 0.00370 -0.00466 173 4YY 0.00970 -0.00013 0.00455 -0.00080 0.00470 174 4ZZ -0.00135 -0.00262 -0.00335 -0.00154 -0.00024 175 4XY -0.00199 -0.00157 0.00693 -0.00067 0.00549 176 4XZ 0.00118 0.00100 0.00256 0.00083 0.00067 177 4YZ 0.00267 -0.00411 -0.00723 -0.00452 -0.00238 178 18 H 1S -0.03919 0.01495 -0.04656 -0.00112 -0.01778 179 2S -0.06258 0.02568 -0.02069 -0.01049 -0.01262 180 19 H 1S -0.13332 -0.19798 0.11828 0.04306 -0.03798 181 2S -0.09887 -0.16590 0.00422 0.03775 -0.02833 182 20 H 1S -0.00859 0.01593 0.04551 -0.02318 -0.01279 183 2S -0.02511 0.03574 0.08774 -0.04329 -0.00934 184 21 H 1S 0.00861 -0.00421 -0.00950 0.00310 0.00480 185 2S 0.00560 -0.01314 -0.04183 0.00360 -0.00421 186 22 O 1S -0.00581 -0.00050 -0.00207 -0.00179 -0.00302 187 2S 0.01227 0.00035 0.01151 0.00376 0.00952 188 2PX 0.04402 -0.01401 0.11916 -0.00849 0.10152 189 2PY -0.03258 -0.00567 -0.06339 0.00109 -0.03501 190 2PZ -0.00419 -0.02966 -0.07724 -0.04437 -0.04145 191 3S 0.04220 0.00505 0.01117 -0.00309 0.01524 192 3PX 0.03629 -0.00810 0.08488 -0.00974 0.07286 193 3PY -0.02808 -0.00590 -0.03586 0.00193 -0.02165 194 3PZ -0.00289 -0.02552 -0.06077 -0.03206 -0.02914 195 4XX -0.00181 -0.00015 -0.00076 0.00061 -0.00064 196 4YY -0.00068 0.00003 0.00265 0.00025 0.00100 197 4ZZ -0.00110 -0.00069 -0.00197 -0.00010 -0.00102 198 4XY -0.00054 0.00089 -0.00452 0.00031 -0.00377 199 4XZ 0.00081 -0.00026 0.00057 -0.00025 0.00044 200 4YZ -0.00025 0.00090 0.00187 0.00209 0.00124 201 23 O 1S -0.01047 0.00110 0.00337 0.00508 -0.00052 202 2S 0.02305 -0.00482 -0.02107 -0.00521 -0.00472 203 2PX 0.06770 -0.06075 -0.28919 0.02728 -0.03414 204 2PY 0.03673 -0.01486 -0.10734 0.05634 -0.01946 205 2PZ -0.03709 -0.01523 0.15040 -0.04740 0.01668 206 3S 0.06021 0.00908 -0.00502 -0.02309 0.01138 207 3PX 0.05880 -0.05468 -0.21149 0.01927 -0.01808 208 3PY 0.03124 -0.00269 -0.05570 0.02997 -0.00654 209 3PZ -0.03008 -0.01596 0.11143 -0.04331 0.01124 210 4XX -0.00219 0.00019 0.00121 0.00030 -0.00052 211 4YY -0.00142 -0.00038 -0.00603 0.00321 -0.00192 212 4ZZ -0.00128 -0.00166 0.00257 -0.00062 0.00052 213 4XY -0.00084 0.00157 -0.00854 -0.00023 -0.00340 214 4XZ 0.00114 0.00063 -0.00084 0.00001 0.00016 215 4YZ 0.00025 -0.00108 0.00306 0.00070 0.00128 111 112 113 114 115 111 3PZ 0.13016 112 4XX 0.00064 0.00095 113 4YY -0.00146 -0.00022 0.00091 114 4ZZ -0.00119 0.00022 -0.00017 0.00083 115 4XY 0.00483 0.00015 -0.00001 -0.00024 0.00099 116 4XZ 0.00178 0.00012 0.00031 -0.00012 -0.00009 117 4YZ -0.00268 -0.00037 -0.00011 0.00025 -0.00037 118 14 C 1S 0.00412 -0.00327 0.00058 0.00008 -0.00438 119 2S 0.00531 0.00582 -0.00251 -0.00132 0.00858 120 2PX 0.06795 -0.00285 -0.00197 -0.00195 0.00709 121 2PY 0.04958 0.00502 -0.00972 -0.00179 0.00032 122 2PZ -0.00432 -0.00416 0.00100 0.00721 -0.00649 123 3S 0.00172 0.00585 -0.00259 -0.00098 0.00652 124 3PX 0.00696 -0.00135 0.00046 0.00088 0.00144 125 3PY -0.00581 0.00146 0.00088 -0.00194 0.00162 126 3PZ 0.00788 -0.00264 0.00032 0.00247 -0.00174 127 4XX 0.00731 -0.00008 -0.00053 0.00013 -0.00011 128 4YY -0.00309 -0.00028 0.00072 -0.00019 -0.00008 129 4ZZ -0.00352 -0.00012 -0.00025 0.00021 -0.00050 130 4XY 0.00827 -0.00005 -0.00030 -0.00047 0.00044 131 4XZ 0.00290 0.00000 0.00026 -0.00011 0.00006 132 4YZ 0.00295 0.00028 0.00018 0.00015 0.00016 133 15 C 1S 0.00505 -0.00059 0.00030 -0.00074 0.00059 134 2S -0.01302 0.00106 -0.00038 0.00162 -0.00117 135 2PX -0.02778 0.00199 -0.00232 0.00429 -0.00248 136 2PY 0.00481 -0.00172 0.00090 -0.00134 0.00087 137 2PZ 0.00981 -0.00423 0.00169 0.00001 0.00056 138 3S -0.02235 0.00107 0.00001 0.00341 -0.00298 139 3PX -0.01326 0.00040 -0.00149 0.00257 -0.00210 140 3PY 0.01121 0.00040 -0.00030 -0.00113 0.00109 141 3PZ -0.00107 -0.00182 0.00104 0.00008 0.00052 142 4XX 0.00257 -0.00001 -0.00010 0.00001 0.00018 143 4YY -0.00086 -0.00016 0.00016 0.00005 -0.00002 144 4ZZ -0.00069 0.00016 -0.00002 -0.00016 0.00010 145 4XY 0.00130 -0.00015 0.00004 -0.00016 0.00010 146 4XZ -0.00039 -0.00021 0.00014 0.00010 -0.00012 147 4YZ -0.00144 0.00015 -0.00006 0.00011 -0.00004 148 16 C 1S 0.00148 0.00016 0.00001 -0.00020 -0.00050 149 2S 0.00006 -0.00054 0.00000 0.00010 0.00124 150 2PX -0.00139 -0.00081 -0.00061 0.00098 0.00124 151 2PY 0.00709 0.00101 -0.00106 0.00006 0.00141 152 2PZ -0.01608 -0.00089 0.00025 0.00122 -0.00129 153 3S 0.00043 -0.00160 -0.00011 0.00036 0.00339 154 3PX -0.00255 -0.00023 -0.00026 0.00054 0.00104 155 3PY 0.00401 0.00070 -0.00039 0.00004 0.00145 156 3PZ -0.00988 -0.00038 -0.00001 0.00052 -0.00092 157 4XX 0.00081 -0.00002 0.00002 0.00004 -0.00004 158 4YY 0.00001 0.00001 -0.00003 0.00003 0.00005 159 4ZZ -0.00058 0.00007 0.00001 -0.00002 -0.00012 160 4XY 0.00146 -0.00005 0.00004 -0.00014 0.00018 161 4XZ 0.00022 -0.00006 0.00000 0.00001 0.00013 162 4YZ -0.00089 0.00015 -0.00003 -0.00003 -0.00008 163 17 C 1S -0.00339 -0.00021 -0.00053 -0.00047 0.00161 164 2S 0.00363 0.00064 0.00092 0.00129 -0.00339 165 2PX -0.00471 0.00012 0.00177 0.00130 -0.00429 166 2PY 0.00458 -0.00020 -0.00147 -0.00002 0.00438 167 2PZ 0.01409 -0.00116 -0.00111 -0.00051 0.00538 168 3S -0.01070 0.00075 -0.00040 0.00183 -0.00376 169 3PX -0.00664 -0.00011 0.00006 0.00086 -0.00043 170 3PY 0.00238 0.00035 -0.00027 0.00099 0.00174 171 3PZ 0.00672 -0.00059 -0.00002 -0.00041 0.00129 172 4XX 0.00288 -0.00005 0.00006 0.00008 0.00027 173 4YY -0.00098 -0.00017 0.00012 -0.00027 0.00000 174 4ZZ -0.00159 0.00008 -0.00004 0.00007 -0.00001 175 4XY -0.00086 0.00015 -0.00025 -0.00002 0.00032 176 4XZ 0.00040 -0.00008 -0.00010 -0.00002 0.00009 177 4YZ -0.00344 0.00020 0.00017 -0.00012 -0.00054 178 18 H 1S 0.01129 0.00126 0.00198 0.00068 0.00470 179 2S 0.01515 0.00231 -0.00081 0.00097 0.00490 180 19 H 1S -0.07670 -0.00427 -0.00388 0.00628 -0.00624 181 2S -0.06535 -0.00150 -0.00311 0.00631 -0.00621 182 20 H 1S 0.01315 -0.00100 0.00075 -0.00123 0.00115 183 2S 0.02387 -0.00053 -0.00060 -0.00192 0.00186 184 21 H 1S -0.00616 0.00053 -0.00008 0.00031 -0.00079 185 2S -0.01103 0.00103 -0.00008 0.00073 -0.00237 186 22 O 1S 0.00215 0.00020 0.00018 0.00016 0.00000 187 2S -0.00319 -0.00040 -0.00022 -0.00012 0.00026 188 2PX -0.01074 -0.00015 0.00025 -0.00210 0.00139 189 2PY -0.00672 0.00028 0.00030 -0.00015 -0.00162 190 2PZ -0.02304 0.00251 -0.00011 0.00030 -0.00301 191 3S -0.00381 -0.00105 0.00028 -0.00169 -0.00074 192 3PX -0.00780 -0.00005 0.00014 -0.00182 0.00115 193 3PY -0.00464 0.00037 -0.00001 0.00033 -0.00073 194 3PZ -0.01950 0.00202 -0.00002 0.00023 -0.00275 195 4XX -0.00006 0.00002 0.00000 0.00005 0.00006 196 4YY 0.00049 0.00004 -0.00004 0.00011 0.00006 197 4ZZ -0.00043 0.00003 0.00000 0.00005 0.00001 198 4XY 0.00054 -0.00002 -0.00003 0.00004 0.00005 199 4XZ -0.00026 -0.00002 0.00001 -0.00003 -0.00001 200 4YZ 0.00068 -0.00008 0.00003 0.00001 -0.00003 201 23 O 1S -0.00420 -0.00033 -0.00116 -0.00001 -0.00036 202 2S 0.00254 0.00069 0.00262 0.00052 0.00070 203 2PX -0.07584 -0.00318 0.00707 0.00172 -0.00023 204 2PY -0.04540 -0.00060 0.00776 -0.00118 0.00542 205 2PZ -0.03849 -0.00509 -0.00183 0.00402 -0.00427 206 3S 0.01445 0.00045 0.00214 -0.00076 -0.00102 207 3PX -0.05878 -0.00192 0.00500 0.00112 -0.00089 208 3PY -0.02249 -0.00055 0.00436 -0.00114 0.00280 209 3PZ -0.03033 -0.00307 -0.00150 0.00218 -0.00270 210 4XX 0.00084 -0.00006 -0.00012 0.00008 -0.00007 211 4YY -0.00266 0.00014 0.00033 -0.00005 0.00050 212 4ZZ -0.00031 -0.00008 -0.00013 0.00011 -0.00016 213 4XY -0.00166 -0.00020 0.00027 0.00004 0.00020 214 4XZ -0.00006 -0.00004 0.00006 0.00001 -0.00001 215 4YZ -0.00210 -0.00034 -0.00001 0.00037 -0.00033 116 117 118 119 120 116 4XZ 0.00067 117 4YZ -0.00030 0.00118 118 14 C 1S 0.00306 0.00280 2.05381 119 2S -0.00632 -0.00540 -0.07109 0.35855 120 2PX -0.00403 -0.00729 -0.00061 0.00241 0.37725 121 2PY -0.00652 -0.00063 -0.00350 0.00756 0.01133 122 2PZ -0.00090 0.00046 0.00102 -0.00365 -0.06931 123 3S -0.00387 -0.00635 -0.14982 0.25478 0.00259 124 3PX -0.00096 -0.00260 -0.00725 0.00851 0.08621 125 3PY -0.00053 -0.00237 -0.06048 0.08069 -0.01005 126 3PZ -0.00120 -0.00104 -0.00431 0.00555 0.04163 127 4XX -0.00011 0.00040 -0.01269 -0.01195 0.00171 128 4YY 0.00038 -0.00014 -0.01530 -0.00363 -0.00015 129 4ZZ -0.00010 0.00038 -0.01103 -0.01542 -0.00107 130 4XY 0.00003 -0.00012 -0.00044 0.00159 0.00643 131 4XZ 0.00047 -0.00016 0.00244 -0.00539 -0.00059 132 4YZ 0.00031 0.00034 -0.00044 0.00127 -0.01374 133 15 C 1S 0.00048 -0.00058 0.01366 -0.02700 0.04817 134 2S -0.00101 0.00132 -0.02877 0.04998 -0.09787 135 2PX -0.00402 0.00076 -0.04921 0.10326 -0.11265 136 2PY 0.00155 -0.00055 0.03670 -0.08129 0.11148 137 2PZ 0.00116 -0.00232 0.03827 -0.07860 0.15174 138 3S -0.00059 0.00391 0.02032 -0.00675 -0.12988 139 3PX -0.00183 0.00124 0.00493 0.00877 -0.04523 140 3PY 0.00023 -0.00103 0.01843 -0.02641 0.06746 141 3PZ 0.00025 -0.00181 -0.00182 -0.00813 0.06915 142 4XX -0.00017 -0.00018 -0.00233 0.00390 0.00529 143 4YY 0.00012 0.00004 0.00018 -0.00194 0.00090 144 4ZZ 0.00001 -0.00003 -0.00119 0.00138 -0.00089 145 4XY 0.00014 -0.00004 0.00425 -0.00820 0.00617 146 4XZ 0.00015 0.00010 0.00326 -0.00649 0.00256 147 4YZ -0.00009 0.00012 -0.00335 0.00643 -0.00737 148 16 C 1S -0.00016 0.00027 -0.00347 0.00930 -0.00841 149 2S 0.00029 -0.00073 0.00792 -0.01915 0.02042 150 2PX -0.00104 -0.00102 0.00473 -0.00996 0.02132 151 2PY -0.00100 -0.00131 -0.01413 0.03815 -0.02484 152 2PZ -0.00065 0.00089 -0.00308 0.00928 0.00256 153 3S 0.00020 -0.00220 -0.01350 0.00059 0.01132 154 3PX -0.00043 -0.00104 -0.00469 0.00188 0.00846 155 3PY -0.00045 -0.00089 -0.00010 0.01153 -0.00453 156 3PZ -0.00032 0.00068 0.00253 0.00123 -0.00296 157 4XX -0.00005 0.00015 -0.00031 0.00102 -0.00042 158 4YY -0.00001 -0.00001 -0.00041 0.00092 -0.00184 159 4ZZ 0.00003 -0.00006 -0.00024 0.00078 -0.00065 160 4XY 0.00012 -0.00007 0.00179 -0.00367 0.00464 161 4XZ 0.00000 -0.00001 0.00004 -0.00022 0.00052 162 4YZ -0.00003 0.00012 -0.00137 0.00282 -0.00598 163 17 C 1S -0.00006 -0.00117 -0.00381 0.00605 -0.00037 164 2S 0.00011 0.00241 0.00605 -0.01281 0.00078 165 2PX -0.00058 0.00579 -0.00037 0.00078 -0.02966 166 2PY 0.00006 -0.00215 -0.00846 0.02141 -0.00226 167 2PZ -0.00088 -0.00015 0.00061 0.00137 0.01388 168 3S -0.00011 0.00335 0.01987 -0.02794 0.00221 169 3PX -0.00045 0.00175 0.00058 -0.00056 -0.01348 170 3PY -0.00025 -0.00079 -0.01661 0.02202 -0.00289 171 3PZ -0.00037 0.00060 0.00134 -0.00055 0.00524 172 4XX -0.00009 0.00026 -0.00036 0.00059 -0.00023 173 4YY 0.00013 -0.00013 -0.00033 -0.00019 -0.00052 174 4ZZ -0.00001 -0.00034 -0.00057 0.00068 0.00073 175 4XY 0.00001 -0.00047 0.00000 -0.00005 0.00175 176 4XZ -0.00003 0.00022 -0.00011 -0.00003 -0.00036 177 4YZ 0.00016 -0.00014 -0.00019 0.00012 -0.00235 178 18 H 1S 0.00025 -0.00775 -0.00725 0.01682 0.02828 179 2S -0.00013 -0.00713 -0.01020 0.02150 0.04407 180 19 H 1S -0.00724 0.01140 0.01078 -0.02379 -0.03953 181 2S -0.00437 0.00923 0.01881 -0.03589 -0.07197 182 20 H 1S 0.00098 -0.00096 0.01124 -0.02469 0.03847 183 2S 0.00042 -0.00187 0.02036 -0.03633 0.07441 184 21 H 1S -0.00024 0.00051 -0.00877 0.01999 -0.02590 185 2S -0.00041 0.00136 -0.01160 0.02373 -0.04198 186 22 O 1S -0.00008 0.00000 -0.00036 0.00095 0.00021 187 2S 0.00023 0.00002 -0.00070 0.00008 -0.00094 188 2PX 0.00070 -0.00332 -0.00027 0.00025 -0.00205 189 2PY -0.00032 0.00047 0.00207 -0.00770 0.00056 190 2PZ 0.00124 -0.00143 -0.00096 0.00090 -0.00949 191 3S 0.00032 0.00023 0.01007 -0.01475 0.00051 192 3PX 0.00064 -0.00295 0.00026 -0.00055 0.00216 193 3PY -0.00019 0.00017 -0.00089 -0.00135 0.00026 194 3PZ 0.00103 -0.00121 -0.00059 0.00012 -0.00879 195 4XX -0.00002 0.00002 -0.00071 0.00073 -0.00024 196 4YY 0.00001 -0.00001 -0.00048 0.00073 0.00005 197 4ZZ 0.00001 -0.00005 -0.00064 0.00056 -0.00012 198 4XY -0.00001 -0.00001 0.00000 -0.00007 0.00076 199 4XZ 0.00001 0.00002 0.00013 -0.00025 -0.00009 200 4YZ -0.00003 0.00007 0.00006 -0.00018 0.00018 201 23 O 1S -0.00003 0.00031 0.01187 -0.01328 0.00379 202 2S 0.00048 -0.00048 -0.02038 0.02305 -0.00908 203 2PX -0.00141 -0.00350 -0.00967 0.01824 0.14980 204 2PY 0.00378 -0.00246 -0.10128 0.21849 -0.05413 205 2PZ -0.00402 -0.00353 -0.00765 0.01501 0.11120 206 3S 0.00012 -0.00050 -0.01281 -0.03473 0.00167 207 3PX -0.00072 -0.00191 -0.00492 0.00836 0.07891 208 3PY 0.00224 -0.00141 -0.05718 0.11196 -0.02857 209 3PZ -0.00279 -0.00246 -0.00424 0.00748 0.07937 210 4XX -0.00001 0.00006 0.00412 -0.00509 0.00274 211 4YY 0.00012 -0.00017 -0.00903 0.01950 -0.00501 212 4ZZ -0.00003 0.00009 0.00413 -0.00502 0.00068 213 4XY -0.00016 -0.00037 -0.00130 0.00250 0.01604 214 4XZ 0.00001 -0.00008 -0.00009 0.00028 0.00147 215 4YZ -0.00019 -0.00016 -0.00107 0.00185 0.00316 121 122 123 124 125 121 2PY 0.42606 122 2PZ 0.00950 0.32857 123 3S 0.04864 0.00927 0.22567 124 3PX -0.01369 0.04144 0.00904 0.04066 125 3PY -0.00595 0.00089 0.05925 0.00235 0.03597 126 3PZ -0.01082 0.12312 0.00693 0.02830 0.00080 127 4XX 0.01636 -0.00015 -0.00596 -0.00138 -0.00512 128 4YY -0.01793 0.00049 -0.00696 0.00132 0.00312 129 4ZZ 0.01244 0.00106 -0.00805 -0.00080 -0.00474 130 4XY -0.00246 -0.01401 -0.00135 -0.00499 -0.00055 131 4XZ -0.00722 -0.00248 -0.00384 -0.00045 -0.00010 132 4YZ -0.00040 -0.00341 0.00023 -0.00195 0.00034 133 15 C 1S -0.03450 -0.03791 0.00313 -0.00377 -0.00176 134 2S 0.06311 0.07828 0.01924 -0.00032 0.01530 135 2PX 0.11026 0.15541 0.09754 0.00640 0.04173 136 2PY -0.07556 -0.09259 -0.06809 0.01745 0.02334 137 2PZ -0.09182 -0.03236 -0.07757 0.02279 -0.03680 138 3S 0.11506 0.08804 -0.01842 0.00181 -0.01046 139 3PX 0.06921 0.07049 0.01281 0.00269 0.00474 140 3PY 0.02007 -0.05630 -0.01542 0.00600 0.00181 141 3PZ -0.05467 -0.00548 -0.01307 0.01217 -0.00735 142 4XX 0.00378 0.00294 0.00314 0.00151 -0.00064 143 4YY -0.00945 -0.00071 -0.00254 0.00033 0.00059 144 4ZZ 0.00046 -0.00620 0.00151 -0.00160 -0.00032 145 4XY -0.00135 -0.00744 -0.00848 0.00044 -0.00317 146 4XZ -0.00683 -0.00006 -0.00436 0.00077 -0.00068 147 4YZ 0.00084 0.00206 0.00592 -0.00210 0.00219 148 16 C 1S 0.01017 0.00640 0.00123 -0.00315 -0.00832 149 2S -0.02553 -0.01564 -0.01520 0.00891 0.01165 150 2PX -0.01214 0.00272 -0.04435 0.02188 -0.00829 151 2PY 0.03902 0.02461 0.05202 -0.01060 -0.02478 152 2PZ 0.00519 0.01887 0.02570 -0.01401 0.00008 153 3S -0.07902 0.00366 0.00232 0.01710 0.01666 154 3PX -0.00757 0.00009 -0.00939 0.00980 -0.00139 155 3PY 0.04059 0.00082 0.01716 0.00159 -0.00919 156 3PZ 0.00269 -0.00016 0.00367 -0.01086 -0.00195 157 4XX 0.00015 0.00105 0.00102 -0.00054 -0.00101 158 4YY 0.00210 0.00158 0.00034 -0.00006 0.00053 159 4ZZ -0.00005 0.00000 0.00121 -0.00041 -0.00054 160 4XY -0.00434 -0.00604 -0.00524 0.00055 -0.00219 161 4XZ -0.00063 -0.00038 -0.00079 0.00048 0.00002 162 4YZ 0.00382 0.00123 0.00403 -0.00136 0.00178 163 17 C 1S 0.00846 0.00061 0.01987 0.00058 0.01661 164 2S -0.02141 0.00137 -0.02794 -0.00056 -0.02202 165 2PX 0.00226 0.01388 0.00221 -0.01348 0.00289 166 2PY 0.02689 0.00061 0.03218 0.00049 -0.00780 167 2PZ -0.00061 -0.01902 -0.01690 0.00442 -0.01086 168 3S -0.03218 -0.01690 -0.04669 -0.00352 -0.02836 169 3PX -0.00049 0.00442 -0.00352 0.00296 -0.00167 170 3PY -0.00780 0.01086 0.02836 0.00167 0.00432 171 3PZ 0.00303 -0.00778 -0.00755 -0.00436 -0.00478 172 4XX -0.00004 0.00076 0.00119 -0.00036 0.00027 173 4YY -0.00149 -0.00074 -0.00084 0.00015 0.00127 174 4ZZ -0.00006 0.00025 0.00168 0.00038 0.00072 175 4XY 0.00017 -0.00253 -0.00047 0.00307 -0.00008 176 4XZ -0.00019 0.00002 -0.00076 -0.00011 0.00007 177 4YZ 0.00067 -0.00075 0.00128 -0.00244 0.00086 178 18 H 1S 0.01601 -0.00893 0.03884 0.01629 0.00020 179 2S 0.02424 -0.01716 0.03596 0.01921 -0.00009 180 19 H 1S -0.01278 0.01908 -0.04166 -0.01058 -0.02963 181 2S 0.00801 0.04012 -0.03913 -0.01111 -0.02479 182 20 H 1S -0.01482 -0.02902 -0.04010 0.00238 -0.03175 183 2S 0.00999 -0.05440 -0.04371 0.00219 -0.03071 184 21 H 1S 0.02210 0.02038 0.04606 -0.01497 0.00466 185 2S 0.03318 0.03423 0.04563 -0.01735 0.00638 186 22 O 1S -0.00037 0.00027 -0.00332 -0.00010 -0.00182 187 2S -0.00242 -0.00054 0.00611 0.00022 -0.00103 188 2PX 0.00215 -0.01484 -0.00478 0.02941 -0.00238 189 2PY -0.00832 -0.00202 -0.00346 0.00052 0.01806 190 2PZ 0.00436 -0.01354 0.00344 -0.02346 0.00101 191 3S 0.01310 -0.00348 -0.00861 -0.00011 0.00895 192 3PX 0.00211 -0.01332 -0.00362 0.02137 -0.00090 193 3PY -0.00895 -0.00173 0.00174 0.00048 0.00759 194 3PZ 0.00315 -0.00844 0.00396 -0.01669 0.00254 195 4XX -0.00113 -0.00004 0.00074 0.00012 0.00016 196 4YY -0.00028 0.00036 0.00038 0.00001 -0.00173 197 4ZZ -0.00126 -0.00019 0.00062 -0.00014 0.00021 198 4XY -0.00039 0.00043 0.00010 -0.00077 0.00017 199 4XZ -0.00014 -0.00026 -0.00040 -0.00001 0.00004 200 4YZ -0.00033 0.00119 0.00022 0.00086 0.00037 201 23 O 1S 0.04814 0.00348 0.03130 0.00045 -0.00298 202 2S -0.11032 -0.01008 -0.08068 0.00113 0.03149 203 2PX -0.05616 0.10937 0.03213 0.11643 0.01410 204 2PY -0.38653 -0.05518 0.15311 -0.00402 0.05491 205 2PZ -0.05317 0.23611 0.01509 0.04634 0.00678 206 3S -0.02670 0.00705 -0.13691 0.00394 0.03498 207 3PX -0.03095 0.07880 0.01988 0.07447 0.01014 208 3PY -0.20309 -0.03002 0.08117 -0.00243 0.03093 209 3PZ -0.03090 0.13893 0.00816 0.02818 0.00473 210 4XX 0.00498 0.00026 -0.00150 0.00063 -0.00258 211 4YY -0.02180 -0.00513 0.01505 -0.00108 0.00374 212 4ZZ 0.00458 0.00212 -0.00187 -0.00003 -0.00228 213 4XY -0.00452 0.00318 0.00246 0.00720 0.00077 214 4XZ -0.00135 0.00197 -0.00019 0.00091 0.00052 215 4YZ -0.00399 0.01893 0.00180 0.00340 0.00063 126 127 128 129 130 126 3PZ 0.06508 127 4XX -0.00032 0.00216 128 4YY 0.00094 -0.00121 0.00226 129 4ZZ -0.00101 0.00096 -0.00070 0.00175 130 4XY -0.00220 0.00031 -0.00005 -0.00041 0.00399 131 4XZ -0.00093 -0.00018 0.00055 -0.00030 0.00030 132 4YZ -0.00669 -0.00020 -0.00005 0.00019 -0.00133 133 15 C 1S 0.00194 -0.00219 0.00072 -0.00143 0.00646 134 2S 0.00318 0.00274 -0.00218 0.00156 -0.01269 135 2PX 0.02863 -0.00886 -0.00119 0.00320 -0.00921 136 2PY -0.01188 -0.00458 0.01245 -0.00402 0.00642 137 2PZ 0.01311 -0.00338 0.00156 0.00816 0.01353 138 3S -0.01338 0.00509 -0.00454 0.00762 -0.02707 139 3PX 0.00970 -0.00291 -0.00123 0.00510 -0.00429 140 3PY -0.01034 0.00006 0.00171 0.00043 -0.00004 141 3PZ 0.00958 -0.00460 0.00118 0.00368 0.00744 142 4XX 0.00208 0.00014 -0.00037 0.00006 0.00012 143 4YY 0.00048 -0.00032 0.00057 -0.00031 0.00030 144 4ZZ -0.00256 -0.00003 -0.00014 -0.00002 0.00034 145 4XY -0.00283 0.00027 -0.00007 0.00058 0.00058 146 4XZ 0.00074 -0.00022 0.00046 -0.00004 0.00015 147 4YZ -0.00040 -0.00058 0.00001 0.00000 0.00025 148 16 C 1S 0.00020 0.00049 -0.00171 0.00078 -0.00007 149 2S -0.00323 -0.00100 0.00375 -0.00153 0.00020 150 2PX -0.01384 -0.00461 0.00081 0.00473 0.00396 151 2PY 0.00579 0.00250 -0.00901 0.00241 0.00166 152 2PZ 0.00973 -0.00626 -0.00073 0.00727 0.00656 153 3S 0.00258 -0.00271 0.00423 -0.00440 0.00752 154 3PX -0.00877 -0.00319 -0.00036 0.00316 0.00281 155 3PY -0.00647 0.00124 -0.00325 0.00204 -0.00494 156 3PZ -0.00165 -0.00422 0.00009 0.00483 0.00546 157 4XX 0.00054 0.00004 -0.00028 0.00009 0.00015 158 4YY 0.00015 0.00008 0.00007 0.00001 -0.00024 159 4ZZ 0.00001 0.00001 -0.00017 0.00002 0.00000 160 4XY -0.00154 0.00038 0.00005 -0.00016 0.00034 161 4XZ -0.00032 -0.00003 0.00012 -0.00002 0.00000 162 4YZ -0.00012 0.00014 -0.00007 -0.00031 -0.00059 163 17 C 1S 0.00134 -0.00036 -0.00033 -0.00057 0.00000 164 2S -0.00055 0.00059 -0.00019 0.00068 0.00005 165 2PX 0.00524 -0.00023 -0.00052 0.00073 -0.00175 166 2PY -0.00303 0.00004 0.00149 0.00006 0.00017 167 2PZ -0.00778 0.00076 -0.00074 0.00025 0.00253 168 3S -0.00755 0.00119 -0.00084 0.00168 0.00047 169 3PX -0.00436 -0.00036 0.00015 0.00038 -0.00307 170 3PY 0.00478 -0.00027 -0.00127 -0.00072 -0.00008 171 3PZ 0.00168 0.00077 -0.00034 -0.00004 0.00229 172 4XX 0.00077 0.00044 -0.00031 -0.00027 -0.00014 173 4YY -0.00034 -0.00031 0.00059 -0.00018 0.00001 174 4ZZ -0.00004 -0.00027 -0.00018 0.00027 0.00021 175 4XY -0.00229 0.00014 -0.00001 -0.00021 -0.00021 176 4XZ -0.00008 0.00004 0.00011 -0.00008 -0.00003 177 4YZ 0.00132 -0.00004 0.00006 -0.00014 -0.00039 178 18 H 1S -0.00424 0.00110 -0.00238 -0.00005 0.00076 179 2S -0.00688 0.00110 -0.00297 0.00016 0.00235 180 19 H 1S 0.00257 0.00369 -0.00366 0.00529 -0.00326 181 2S -0.00027 0.00222 -0.00283 0.00593 -0.00818 182 20 H 1S -0.00723 0.00562 -0.00409 0.00333 0.00171 183 2S -0.00844 0.00557 -0.00358 0.00300 0.00728 184 21 H 1S 0.01105 0.00002 -0.00227 0.00050 -0.00084 185 2S 0.01354 -0.00011 -0.00287 0.00097 -0.00294 186 22 O 1S -0.00013 0.00011 -0.00037 0.00009 -0.00001 187 2S -0.00041 -0.00033 0.00117 -0.00009 0.00011 188 2PX -0.02446 0.00038 0.00080 -0.00163 -0.00171 189 2PY 0.00298 0.00051 -0.00251 -0.00055 -0.00062 190 2PZ 0.01508 0.00012 0.00092 -0.00158 -0.00345 191 3S -0.00083 -0.00044 0.00210 -0.00001 -0.00021 192 3PX -0.01761 0.00029 0.00062 -0.00127 -0.00099 193 3PY 0.00140 0.00043 -0.00175 -0.00035 -0.00033 194 3PZ 0.01083 -0.00008 0.00078 -0.00119 -0.00293 195 4XX -0.00005 0.00002 -0.00008 -0.00006 -0.00002 196 4YY -0.00011 0.00001 0.00005 0.00005 0.00004 197 4ZZ 0.00008 -0.00006 -0.00005 -0.00001 0.00003 198 4XY 0.00089 -0.00002 -0.00002 0.00004 0.00011 199 4XZ -0.00008 -0.00001 0.00006 -0.00002 -0.00003 200 4YZ -0.00029 -0.00003 -0.00002 0.00006 0.00009 201 23 O 1S 0.00021 0.00574 -0.01313 0.00484 -0.00186 202 2S -0.00026 -0.01260 0.02427 -0.01075 0.00389 203 2PX 0.04579 -0.00987 0.00584 0.00077 -0.04610 204 2PY -0.01283 -0.01971 0.00717 -0.01850 0.00617 205 2PZ 0.15490 -0.00105 0.00382 -0.00526 0.01139 206 3S 0.00488 -0.01077 0.02861 -0.00834 0.00265 207 3PX 0.02806 -0.00667 0.00394 0.00099 -0.03299 208 3PY -0.00710 -0.01033 0.00361 -0.00959 0.00357 209 3PZ 0.09751 -0.00054 0.00258 -0.00344 0.00876 210 4XX 0.00009 0.00059 -0.00063 0.00050 -0.00031 211 4YY -0.00181 -0.00115 -0.00004 -0.00120 0.00047 212 4ZZ 0.00088 0.00046 -0.00050 0.00050 -0.00001 213 4XY 0.00340 -0.00050 0.00031 -0.00014 -0.00168 214 4XZ 0.00121 -0.00015 0.00025 -0.00014 -0.00011 215 4YZ 0.01001 -0.00017 0.00023 -0.00029 0.00004 131 132 133 134 135 131 4XZ 0.00058 132 4YZ 0.00020 0.00308 133 15 C 1S 0.00363 -0.00457 2.05488 134 2S -0.00648 0.00887 -0.06574 0.33152 135 2PX -0.00193 0.01243 0.00144 -0.00055 0.38170 136 2PY 0.00646 -0.00399 0.00125 -0.00083 0.00498 137 2PZ -0.00098 -0.00154 -0.00041 -0.00136 -0.05073 138 3S -0.00678 0.02058 -0.19989 0.32136 0.04481 139 3PX -0.00131 0.00744 -0.00666 0.00062 0.18111 140 3PY 0.00153 0.00022 -0.00006 -0.00777 -0.00920 141 3PZ -0.00073 0.00064 0.00308 0.00234 0.02286 142 4XX -0.00018 -0.00021 -0.01656 -0.00528 0.00036 143 4YY 0.00023 -0.00019 -0.01817 -0.00063 -0.00174 144 4ZZ 0.00007 -0.00005 -0.01420 -0.01001 -0.00184 145 4XY -0.00005 0.00015 -0.00168 0.00321 -0.00846 146 4XZ 0.00041 -0.00013 0.00448 -0.00901 0.00226 147 4YZ 0.00002 0.00063 0.00124 -0.00242 0.01509 148 16 C 1S -0.00051 -0.00016 0.01890 -0.03858 -0.00062 149 2S 0.00119 0.00034 -0.03858 0.06917 -0.00125 150 2PX -0.00077 0.00613 -0.00062 -0.00125 0.12712 151 2PY -0.00149 -0.00132 0.08565 -0.17172 0.00182 152 2PZ -0.00142 0.00633 0.00082 -0.00060 0.12932 153 3S 0.00251 -0.00452 0.02136 -0.01375 0.01266 154 3PX -0.00050 0.00448 0.00636 -0.00664 0.08068 155 3PY -0.00099 0.00429 0.00238 -0.01747 0.01572 156 3PZ -0.00075 0.00448 -0.00393 0.00164 0.08811 157 4XX -0.00003 0.00004 0.00298 -0.00662 0.00096 158 4YY -0.00013 0.00019 -0.00578 0.01027 0.00025 159 4ZZ -0.00002 -0.00014 0.00263 -0.00570 -0.00138 160 4XY 0.00006 -0.00051 -0.00006 -0.00005 -0.01407 161 4XZ 0.00002 0.00009 -0.00085 0.00197 0.00036 162 4YZ 0.00004 -0.00001 0.00009 0.00004 0.00051 163 17 C 1S -0.00011 0.00019 -0.00347 0.00792 0.00473 164 2S -0.00003 -0.00012 0.00930 -0.01915 -0.00996 165 2PX -0.00036 0.00235 -0.00841 0.02042 0.02132 166 2PY 0.00019 0.00067 -0.01017 0.02553 0.01214 167 2PZ 0.00002 0.00075 0.00640 -0.01564 0.00272 168 3S -0.00076 -0.00128 0.00123 -0.01520 -0.04435 169 3PX -0.00011 0.00244 -0.00315 0.00891 0.02188 170 3PY -0.00007 0.00086 0.00832 -0.01165 0.00829 171 3PZ -0.00008 -0.00132 0.00020 -0.00323 -0.01384 172 4XX 0.00004 0.00004 0.00049 -0.00100 -0.00461 173 4YY 0.00011 -0.00006 -0.00171 0.00375 0.00081 174 4ZZ -0.00008 0.00014 0.00078 -0.00153 0.00473 175 4XY 0.00003 -0.00039 0.00007 -0.00020 -0.00396 176 4XZ 0.00001 0.00002 -0.00051 0.00119 -0.00077 177 4YZ -0.00002 -0.00059 0.00016 -0.00034 -0.00613 178 18 H 1S 0.00023 0.00039 0.00027 -0.00066 0.00287 179 2S -0.00010 -0.00064 0.00433 -0.00900 0.00426 180 19 H 1S -0.00554 -0.00078 -0.00639 0.01466 0.02292 181 2S -0.00383 0.00403 -0.01322 0.02771 0.05698 182 20 H 1S -0.00408 -0.00140 -0.06142 0.11783 -0.18292 183 2S -0.00228 -0.00557 -0.01091 0.02323 -0.15807 184 21 H 1S -0.00031 0.00019 0.01313 -0.02727 0.01364 185 2S -0.00078 0.00120 0.01514 -0.02757 0.03304 186 22 O 1S 0.00004 -0.00003 0.00122 -0.00293 -0.00147 187 2S 0.00006 0.00016 -0.00272 0.00603 0.00279 188 2PX 0.00025 -0.00396 0.00834 -0.01540 -0.03668 189 2PY -0.00041 -0.00086 0.00778 -0.01970 -0.01373 190 2PZ 0.00021 -0.00476 -0.00733 0.01343 -0.04981 191 3S 0.00024 -0.00032 -0.00776 0.01737 0.01030 192 3PX 0.00021 -0.00339 0.00647 -0.01288 -0.03235 193 3PY -0.00032 -0.00055 0.00565 -0.01460 -0.01313 194 3PZ 0.00016 -0.00357 -0.00521 0.01054 -0.03536 195 4XX -0.00001 0.00000 0.00021 -0.00083 -0.00111 196 4YY 0.00001 0.00006 0.00009 -0.00009 0.00027 197 4ZZ -0.00001 0.00002 0.00014 -0.00068 -0.00025 198 4XY 0.00000 0.00012 0.00006 -0.00017 0.00107 199 4XZ 0.00001 -0.00004 -0.00021 0.00042 -0.00046 200 4YZ -0.00001 0.00018 -0.00003 -0.00001 0.00203 201 23 O 1S -0.00151 -0.00129 -0.00270 0.00604 0.00179 202 2S 0.00334 0.00263 0.00753 -0.01592 -0.00820 203 2PX -0.00276 0.01104 -0.02529 0.05228 0.03851 204 2PY 0.00391 0.00314 0.01467 -0.02539 -0.03088 205 2PZ -0.00290 -0.03894 0.02057 -0.03877 -0.04693 206 3S 0.00359 0.00196 0.00159 -0.00253 0.01529 207 3PX -0.00200 0.00847 -0.02071 0.04400 0.03190 208 3PY 0.00230 0.00160 0.00710 -0.01222 -0.01194 209 3PZ -0.00196 -0.02730 0.01624 -0.03181 -0.04437 210 4XX -0.00007 -0.00001 0.00015 -0.00036 -0.00208 211 4YY 0.00010 0.00031 0.00062 -0.00111 -0.00067 212 4ZZ -0.00009 -0.00028 0.00015 -0.00053 -0.00038 213 4XY -0.00012 0.00003 0.00019 -0.00020 -0.00159 214 4XZ 0.00004 -0.00014 0.00002 -0.00024 0.00033 215 4YZ -0.00018 -0.00172 0.00003 0.00016 0.00215 136 137 138 139 140 136 2PY 0.44170 137 2PZ -0.00246 0.35287 138 3S -0.08109 -0.03012 0.46783 139 3PX -0.01415 0.02128 0.04109 0.10016 140 3PY 0.11831 0.00422 0.01287 -0.00446 0.06109 141 3PZ 0.00793 0.19447 -0.01934 0.03213 0.00221 142 4XX -0.01190 0.00350 -0.00228 0.00088 -0.00229 143 4YY 0.01162 0.00145 -0.00436 -0.00159 0.00138 144 4ZZ -0.00669 -0.00204 -0.00699 -0.00080 -0.00101 145 4XY -0.00095 0.01510 0.00363 -0.00134 0.00024 146 4XZ 0.01010 -0.00008 -0.00916 0.00089 0.00227 147 4YZ 0.00109 0.00056 -0.00244 0.00704 -0.00017 148 16 C 1S -0.08565 0.00082 0.02136 0.00636 -0.00238 149 2S 0.17172 -0.00060 -0.01375 -0.00664 0.01747 150 2PX -0.00182 0.12932 0.01266 0.08068 -0.01572 151 2PY -0.32412 -0.00262 -0.13543 0.01317 -0.09419 152 2PZ 0.00261 0.20356 -0.00305 0.09021 0.01012 153 3S 0.13543 -0.00305 -0.17340 -0.00774 -0.04148 154 3PX -0.01318 0.09021 -0.00774 0.05110 -0.01476 155 3PY -0.09419 -0.01012 0.04148 0.01476 -0.00720 156 3PZ 0.01109 0.13410 0.00310 0.06202 0.00816 157 4XX -0.01058 0.00177 -0.00509 0.00095 -0.00288 158 4YY 0.00542 -0.00018 0.01095 -0.00008 0.00236 159 4ZZ -0.00909 -0.00095 -0.00364 -0.00045 -0.00206 160 4XY -0.00156 0.00061 0.00032 -0.00685 0.00018 161 4XZ 0.00292 0.00076 0.00387 0.00013 0.00167 162 4YZ 0.00080 -0.01379 -0.00040 -0.00166 -0.00009 163 17 C 1S 0.01413 -0.00308 -0.01350 -0.00469 0.00010 164 2S -0.03815 0.00928 0.00059 0.00188 -0.01153 165 2PX 0.02484 0.00256 0.01132 0.00846 0.00453 166 2PY 0.03902 -0.00519 0.07902 0.00757 0.04059 167 2PZ -0.02461 0.01887 0.00366 0.00009 -0.00082 168 3S -0.05202 0.02570 0.00232 -0.00939 -0.01716 169 3PX 0.01060 -0.01401 0.01710 0.00980 -0.00159 170 3PY -0.02478 -0.00008 -0.01666 0.00139 -0.00919 171 3PZ -0.00579 0.00973 0.00258 -0.00877 0.00647 172 4XX -0.00250 -0.00626 -0.00272 -0.00319 -0.00124 173 4YY 0.00901 -0.00073 0.00423 -0.00036 0.00325 174 4ZZ -0.00241 0.00727 -0.00440 0.00316 -0.00204 175 4XY 0.00166 -0.00656 -0.00752 -0.00281 -0.00494 176 4XZ 0.00149 -0.00142 0.00251 -0.00050 0.00099 177 4YZ -0.00132 -0.00633 0.00452 -0.00448 0.00429 178 18 H 1S 0.00590 0.00480 -0.00100 -0.00232 0.00508 179 2S 0.00108 0.01707 -0.02671 0.00082 -0.00409 180 19 H 1S -0.00990 -0.01411 0.03914 0.02040 -0.01605 181 2S -0.02701 -0.02681 0.07750 0.03932 -0.01376 182 20 H 1S -0.14460 0.13429 0.11500 -0.06569 -0.03411 183 2S -0.10740 0.11584 0.00756 -0.05597 -0.02316 184 21 H 1S -0.04218 -0.01246 -0.04955 0.00688 -0.01692 185 2S -0.07027 -0.02575 -0.02141 0.01551 -0.01493 186 22 O 1S -0.00574 0.00026 -0.00266 0.00265 -0.00273 187 2S 0.01165 0.00116 0.01453 -0.00389 0.00852 188 2PX -0.02463 -0.05038 -0.10148 -0.02362 -0.07605 189 2PY -0.03343 -0.01040 -0.08468 -0.01690 -0.03860 190 2PZ 0.03074 -0.05725 0.09582 -0.04284 0.07744 191 3S 0.04464 -0.00839 0.00852 -0.00453 0.01302 192 3PX -0.02009 -0.03624 -0.07594 -0.02004 -0.05447 193 3PY -0.02927 -0.00501 -0.04885 -0.01185 -0.02439 194 3PZ 0.02523 -0.04585 0.06623 -0.03084 0.05459 195 4XX -0.00185 -0.00052 -0.00226 -0.00065 -0.00142 196 4YY -0.00090 0.00104 0.00434 0.00105 0.00142 197 4ZZ -0.00132 0.00097 -0.00094 -0.00015 -0.00036 198 4XY -0.00013 0.00198 0.00317 0.00079 0.00254 199 4XZ 0.00090 -0.00053 0.00053 -0.00040 0.00035 200 4YZ -0.00032 0.00215 -0.00432 0.00178 -0.00320 201 23 O 1S -0.01109 -0.00263 0.00426 -0.00577 -0.00008 202 2S 0.02505 0.00973 -0.02169 0.00512 -0.00672 203 2PX -0.06073 -0.04397 0.22511 0.02071 0.02889 204 2PY 0.04290 0.02796 -0.12408 -0.06500 -0.02953 205 2PZ 0.05380 0.01081 -0.21196 -0.05072 -0.03397 206 3S 0.06119 -0.00631 0.00354 0.02612 0.00875 207 3PX -0.05172 -0.04426 0.16932 0.01694 0.01683 208 3PY 0.03593 0.01504 -0.06862 -0.03364 -0.01254 209 3PZ 0.04590 0.00444 -0.15312 -0.04066 -0.01907 210 4XX -0.00187 0.00068 0.00261 -0.00018 0.00076 211 4YY -0.00141 -0.00007 -0.00740 -0.00399 -0.00271 212 4ZZ -0.00129 0.00155 0.00038 0.00060 0.00003 213 4XY 0.00080 0.00243 0.00496 -0.00081 0.00268 214 4XZ 0.00132 -0.00033 -0.00067 -0.00006 0.00021 215 4YZ -0.00051 -0.00044 -0.00700 -0.00052 -0.00316 141 142 143 144 145 141 3PZ 0.11851 142 4XX 0.00164 0.00077 143 4YY 0.00107 -0.00023 0.00077 144 4ZZ -0.00146 0.00041 -0.00008 0.00068 145 4XY 0.00702 0.00005 -0.00002 -0.00007 0.00134 146 4XZ 0.00016 -0.00021 0.00032 0.00002 -0.00018 147 4YZ 0.00284 -0.00004 0.00002 0.00006 -0.00052 148 16 C 1S -0.00393 0.00298 -0.00578 0.00263 0.00006 149 2S 0.00164 -0.00662 0.01027 -0.00570 0.00005 150 2PX 0.08811 0.00096 0.00025 -0.00138 0.01407 151 2PY -0.01109 0.01058 -0.00542 0.00909 -0.00156 152 2PZ 0.13410 0.00177 -0.00018 -0.00095 -0.00061 153 3S 0.00310 -0.00509 0.01095 -0.00364 -0.00032 154 3PX 0.06202 0.00095 -0.00008 -0.00045 0.00685 155 3PY -0.00817 0.00288 -0.00236 0.00206 0.00018 156 3PZ 0.08889 0.00067 0.00016 -0.00062 0.00177 157 4XX 0.00067 0.00041 -0.00024 0.00031 -0.00003 158 4YY 0.00016 -0.00024 0.00006 -0.00033 0.00001 159 4ZZ -0.00062 0.00031 -0.00033 0.00035 -0.00009 160 4XY -0.00177 0.00003 -0.00001 0.00009 0.00076 161 4XZ 0.00050 -0.00005 -0.00016 -0.00006 0.00013 162 4YZ -0.00797 -0.00016 0.00000 0.00007 -0.00092 163 17 C 1S 0.00253 -0.00031 -0.00041 -0.00024 -0.00179 164 2S 0.00123 0.00102 0.00092 0.00078 0.00367 165 2PX -0.00296 -0.00042 -0.00184 -0.00065 -0.00465 166 2PY -0.00269 -0.00015 -0.00210 0.00005 -0.00434 167 2PZ -0.00016 0.00105 0.00158 0.00000 0.00604 168 3S 0.00367 0.00102 0.00034 0.00121 0.00524 169 3PX -0.01086 -0.00054 -0.00006 -0.00041 -0.00055 170 3PY 0.00195 0.00101 -0.00053 0.00054 -0.00219 171 3PZ -0.00165 0.00054 0.00015 0.00001 0.00154 172 4XX -0.00422 0.00004 0.00008 0.00001 -0.00038 173 4YY 0.00009 -0.00028 0.00007 -0.00017 -0.00005 174 4ZZ 0.00483 0.00009 0.00001 0.00002 0.00016 175 4XY -0.00546 -0.00015 0.00024 0.00000 0.00034 176 4XZ -0.00075 -0.00003 -0.00013 -0.00002 -0.00006 177 4YZ -0.00448 -0.00004 -0.00019 0.00014 -0.00051 178 18 H 1S 0.00373 0.00043 -0.00004 0.00002 0.00076 179 2S 0.01024 0.00090 0.00003 0.00018 0.00236 180 19 H 1S -0.01130 -0.00153 0.00084 -0.00049 -0.00105 181 2S -0.01564 -0.00142 -0.00035 -0.00060 -0.00164 182 20 H 1S 0.04929 0.00343 -0.00271 -0.00090 0.01118 183 2S 0.04019 0.00395 -0.00247 0.00118 0.00994 184 21 H 1S -0.00639 0.00097 0.00158 0.00107 -0.00802 185 2S -0.01092 0.00181 -0.00105 0.00170 -0.00787 186 22 O 1S -0.00249 0.00019 0.00023 0.00014 -0.00004 187 2S 0.00537 -0.00025 -0.00033 -0.00014 -0.00010 188 2PX -0.05373 0.00033 -0.00031 0.00138 0.00192 189 2PY -0.00735 0.00016 0.00095 -0.00003 0.00149 190 2PZ -0.04532 -0.00146 0.00010 -0.00022 -0.00269 191 3S 0.00174 -0.00152 0.00031 -0.00118 0.00085 192 3PX -0.03835 0.00027 -0.00010 0.00108 0.00171 193 3PY -0.00449 0.00042 0.00038 0.00029 0.00072 194 3PZ -0.03396 -0.00127 0.00001 -0.00015 -0.00243 195 4XX -0.00059 0.00005 -0.00001 0.00005 -0.00008 196 4YY 0.00060 0.00008 -0.00007 0.00007 -0.00005 197 4ZZ 0.00051 0.00003 0.00000 0.00003 -0.00001 198 4XY 0.00232 0.00001 0.00006 -0.00003 0.00005 199 4XZ -0.00045 -0.00003 0.00001 -0.00002 0.00002 200 4YZ 0.00212 0.00002 -0.00003 -0.00001 -0.00004 201 23 O 1S 0.00352 -0.00017 -0.00116 -0.00023 0.00032 202 2S -0.00198 0.00020 0.00225 0.00064 -0.00043 203 2PX -0.02783 0.00346 -0.00335 -0.00240 -0.00346 204 2PY 0.05114 -0.00335 0.00816 0.00087 -0.00351 205 2PZ 0.00286 0.00216 0.00486 -0.00470 -0.00642 206 3S -0.01697 -0.00027 0.00149 -0.00050 0.00011 207 3PX -0.02692 0.00206 -0.00264 -0.00152 -0.00287 208 3PY 0.02879 -0.00220 0.00461 0.00018 -0.00172 209 3PZ -0.00110 0.00112 0.00336 -0.00276 -0.00397 210 4XX -0.00044 0.00008 -0.00015 0.00000 0.00013 211 4YY 0.00269 -0.00011 0.00038 0.00017 -0.00033 212 4ZZ 0.00037 0.00005 -0.00009 -0.00002 0.00009 213 4XY 0.00104 0.00027 -0.00005 -0.00014 -0.00002 214 4XZ -0.00016 0.00001 0.00005 -0.00005 -0.00008 215 4YZ 0.00011 0.00018 0.00021 -0.00036 -0.00050 146 147 148 149 150 146 4XZ 0.00063 147 4YZ 0.00015 0.00105 148 16 C 1S -0.00085 -0.00009 2.05488 149 2S 0.00197 -0.00004 -0.06574 0.33152 150 2PX 0.00036 -0.00051 0.00144 -0.00055 0.38170 151 2PY -0.00292 0.00080 -0.00125 0.00083 -0.00498 152 2PZ 0.00076 0.01379 -0.00041 -0.00136 -0.05073 153 3S 0.00387 0.00040 -0.19989 0.32136 0.04481 154 3PX 0.00013 0.00166 -0.00666 0.00062 0.18111 155 3PY -0.00167 -0.00009 0.00006 0.00777 0.00920 156 3PZ 0.00050 0.00797 0.00308 0.00234 0.02286 157 4XX -0.00005 0.00016 -0.01656 -0.00528 0.00036 158 4YY -0.00016 0.00000 -0.01817 -0.00063 -0.00175 159 4ZZ -0.00006 -0.00007 -0.01420 -0.01001 -0.00184 160 4XY -0.00013 -0.00092 0.00168 -0.00321 0.00846 161 4XZ 0.00004 -0.00002 0.00448 -0.00901 0.00226 162 4YZ 0.00002 0.00020 -0.00124 0.00242 -0.01509 163 17 C 1S 0.00004 0.00137 0.01366 -0.02877 -0.04921 164 2S -0.00022 -0.00282 -0.02700 0.04998 0.10326 165 2PX 0.00052 0.00598 0.04817 -0.09787 -0.11265 166 2PY 0.00063 0.00382 0.03450 -0.06310 -0.11026 167 2PZ -0.00038 -0.00123 -0.03791 0.07828 0.15541 168 3S -0.00079 -0.00403 0.00313 0.01924 0.09754 169 3PX 0.00048 0.00136 -0.00377 -0.00032 0.00640 170 3PY -0.00002 0.00178 0.00176 -0.01530 -0.04173 171 3PZ -0.00032 0.00012 0.00194 0.00318 0.02863 172 4XX -0.00003 -0.00014 -0.00219 0.00274 -0.00886 173 4YY 0.00012 0.00007 0.00072 -0.00218 -0.00119 174 4ZZ -0.00002 0.00031 -0.00143 0.00156 0.00320 175 4XY 0.00000 -0.00059 -0.00646 0.01269 0.00921 176 4XZ 0.00002 -0.00004 0.00363 -0.00648 -0.00193 177 4YZ -0.00009 -0.00001 0.00457 -0.00887 -0.01243 178 18 H 1S -0.00007 -0.00055 -0.00639 0.01466 0.02292 179 2S -0.00037 -0.00122 -0.01322 0.02771 0.05698 180 19 H 1S 0.00104 0.00096 0.00027 -0.00066 0.00287 181 2S 0.00060 0.00200 0.00433 -0.00900 0.00426 182 20 H 1S -0.00781 -0.00850 0.01313 -0.02727 0.01364 183 2S -0.00490 -0.00750 0.01514 -0.02757 0.03304 184 21 H 1S -0.00008 0.00576 -0.06142 0.11783 -0.18292 185 2S -0.00056 0.00558 -0.01091 0.02323 -0.15807 186 22 O 1S -0.00010 -0.00004 -0.00270 0.00604 0.00179 187 2S 0.00030 0.00032 0.00753 -0.01592 -0.00820 188 2PX -0.00032 -0.00296 -0.02529 0.05228 0.03851 189 2PY -0.00070 -0.00169 -0.01467 0.02539 0.03088 190 2PZ -0.00031 0.00014 0.02057 -0.03877 -0.04693 191 3S 0.00046 -0.00040 0.00159 -0.00253 0.01529 192 3PX -0.00037 -0.00275 -0.02071 0.04400 0.03190 193 3PY -0.00049 -0.00100 -0.00710 0.01222 0.01194 194 3PZ -0.00017 0.00002 0.01624 -0.03181 -0.04437 195 4XX -0.00002 0.00001 0.00015 -0.00036 -0.00208 196 4YY 0.00002 0.00004 0.00062 -0.00111 -0.00067 197 4ZZ -0.00001 0.00005 0.00015 -0.00053 -0.00038 198 4XY 0.00000 -0.00004 -0.00019 0.00020 0.00159 199 4XZ 0.00001 -0.00002 0.00002 -0.00024 0.00033 200 4YZ 0.00003 0.00002 -0.00003 -0.00016 -0.00215 201 23 O 1S -0.00005 -0.00036 0.00122 -0.00293 -0.00147 202 2S 0.00055 0.00069 -0.00272 0.00603 0.00279 203 2PX 0.00003 -0.00619 0.00834 -0.01540 -0.03668 204 2PY 0.00276 0.00512 -0.00778 0.01970 0.01373 205 2PZ 0.00256 -0.00479 -0.00733 0.01343 -0.04981 206 3S 0.00060 -0.00032 -0.00776 0.01737 0.01030 207 3PX -0.00031 -0.00400 0.00647 -0.01288 -0.03235 208 3PY 0.00174 0.00281 -0.00565 0.01460 0.01313 209 3PZ 0.00173 -0.00364 -0.00521 0.01054 -0.03536 210 4XX 0.00000 -0.00020 0.00021 -0.00083 -0.00111 211 4YY 0.00000 0.00046 0.00009 -0.00009 0.00027 212 4ZZ 0.00002 -0.00008 0.00014 -0.00068 -0.00025 213 4XY 0.00008 -0.00043 -0.00006 0.00017 -0.00107 214 4XZ 0.00005 -0.00003 -0.00021 0.00042 -0.00046 215 4YZ 0.00012 -0.00014 0.00003 0.00001 -0.00203 151 152 153 154 155 151 2PY 0.44170 152 2PZ 0.00246 0.35287 153 3S 0.08109 -0.03012 0.46783 154 3PX 0.01415 0.02128 0.04109 0.10016 155 3PY 0.11831 -0.00422 -0.01287 0.00446 0.06109 156 3PZ -0.00793 0.19447 -0.01934 0.03213 -0.00221 157 4XX 0.01189 0.00350 -0.00228 0.00089 0.00229 158 4YY -0.01162 0.00145 -0.00436 -0.00159 -0.00138 159 4ZZ 0.00669 -0.00204 -0.00699 -0.00080 0.00101 160 4XY -0.00095 -0.01510 -0.00363 0.00134 0.00024 161 4XZ -0.01010 -0.00008 -0.00916 0.00089 -0.00227 162 4YZ 0.00109 -0.00056 0.00244 -0.00704 -0.00017 163 17 C 1S -0.03670 0.03827 0.02032 0.00493 -0.01843 164 2S 0.08129 -0.07860 -0.00675 0.00877 0.02641 165 2PX -0.11148 0.15174 -0.12988 -0.04523 -0.06746 166 2PY -0.07556 0.09182 -0.11506 -0.06921 0.02007 167 2PZ 0.09259 -0.03236 0.08804 0.07049 0.05630 168 3S 0.06809 -0.07757 -0.01842 0.01281 0.01542 169 3PX -0.01745 0.02279 0.00181 0.00269 -0.00600 170 3PY 0.02334 0.03680 0.01046 -0.00474 0.00181 171 3PZ 0.01188 0.01311 -0.01338 0.00970 0.01033 172 4XX 0.00458 -0.00338 0.00509 -0.00291 -0.00006 173 4YY -0.01245 0.00156 -0.00454 -0.00123 -0.00171 174 4ZZ 0.00402 0.00816 0.00762 0.00510 -0.00043 175 4XY 0.00642 -0.01353 0.02707 0.00429 -0.00004 176 4XZ -0.00646 -0.00098 -0.00678 -0.00131 -0.00153 177 4YZ -0.00399 0.00154 -0.02058 -0.00744 0.00022 178 18 H 1S 0.00990 -0.01411 0.03914 0.02040 0.01605 179 2S 0.02701 -0.02681 0.07750 0.03932 0.01376 180 19 H 1S -0.00590 0.00480 -0.00100 -0.00232 -0.00508 181 2S -0.00108 0.01707 -0.02671 0.00082 0.00409 182 20 H 1S 0.04218 -0.01246 -0.04955 0.00688 0.01692 183 2S 0.07027 -0.02575 -0.02141 0.01551 0.01493 184 21 H 1S 0.14460 0.13429 0.11500 -0.06569 0.03411 185 2S 0.10740 0.11584 0.00756 -0.05597 0.02316 186 22 O 1S 0.01109 -0.00263 0.00426 -0.00577 0.00008 187 2S -0.02504 0.00973 -0.02170 0.00512 0.00672 188 2PX 0.06074 -0.04397 0.22511 0.02071 -0.02889 189 2PY 0.04290 -0.02796 0.12408 0.06499 -0.02953 190 2PZ -0.05380 0.01081 -0.21196 -0.05072 0.03397 191 3S -0.06119 -0.00631 0.00354 0.02612 -0.00875 192 3PX 0.05172 -0.04426 0.16932 0.01694 -0.01683 193 3PY 0.03593 -0.01504 0.06862 0.03363 -0.01254 194 3PZ -0.04590 0.00444 -0.15312 -0.04066 0.01907 195 4XX 0.00187 0.00068 0.00261 -0.00018 -0.00076 196 4YY 0.00141 -0.00007 -0.00740 -0.00399 0.00271 197 4ZZ 0.00129 0.00155 0.00038 0.00060 -0.00003 198 4XY 0.00080 -0.00243 -0.00496 0.00081 0.00268 199 4XZ -0.00132 -0.00033 -0.00067 -0.00006 -0.00021 200 4YZ -0.00051 0.00044 0.00700 0.00052 -0.00316 201 23 O 1S 0.00574 0.00026 -0.00266 0.00265 0.00273 202 2S -0.01165 0.00116 0.01453 -0.00389 -0.00852 203 2PX 0.02463 -0.05038 -0.10148 -0.02362 0.07605 204 2PY -0.03343 0.01040 0.08468 0.01690 -0.03860 205 2PZ -0.03074 -0.05725 0.09582 -0.04284 -0.07744 206 3S -0.04464 -0.00839 0.00852 -0.00453 -0.01302 207 3PX 0.02009 -0.03624 -0.07594 -0.02004 0.05447 208 3PY -0.02927 0.00501 0.04885 0.01185 -0.02439 209 3PZ -0.02522 -0.04585 0.06623 -0.03084 -0.05459 210 4XX 0.00185 -0.00052 -0.00226 -0.00065 0.00142 211 4YY 0.00090 0.00104 0.00434 0.00105 -0.00142 212 4ZZ 0.00132 0.00097 -0.00094 -0.00015 0.00036 213 4XY -0.00013 -0.00198 -0.00317 -0.00079 0.00254 214 4XZ -0.00090 -0.00053 0.00053 -0.00040 -0.00035 215 4YZ -0.00032 -0.00215 0.00432 -0.00178 -0.00320 156 157 158 159 160 156 3PZ 0.11851 157 4XX 0.00164 0.00077 158 4YY 0.00107 -0.00023 0.00077 159 4ZZ -0.00146 0.00041 -0.00008 0.00068 160 4XY -0.00702 -0.00005 0.00002 0.00007 0.00134 161 4XZ 0.00016 -0.00021 0.00032 0.00002 0.00018 162 4YZ -0.00284 0.00004 -0.00002 -0.00006 -0.00052 163 17 C 1S -0.00182 -0.00233 0.00018 -0.00119 -0.00425 164 2S -0.00813 0.00390 -0.00194 0.00138 0.00820 165 2PX 0.06915 0.00529 0.00090 -0.00089 -0.00617 166 2PY 0.05467 -0.00378 0.00945 -0.00046 -0.00135 167 2PZ -0.00548 0.00294 -0.00071 -0.00620 0.00744 168 3S -0.01307 0.00314 -0.00254 0.00151 0.00848 169 3PX 0.01217 0.00151 0.00033 -0.00160 -0.00044 170 3PY 0.00735 0.00064 -0.00059 0.00032 -0.00317 171 3PZ 0.00958 0.00208 0.00048 -0.00256 0.00283 172 4XX -0.00460 0.00014 -0.00032 -0.00003 -0.00027 173 4YY 0.00118 -0.00037 0.00057 -0.00014 0.00007 174 4ZZ 0.00368 0.00006 -0.00031 -0.00002 -0.00058 175 4XY -0.00744 -0.00012 -0.00030 -0.00034 0.00058 176 4XZ -0.00073 -0.00018 0.00023 0.00007 0.00005 177 4YZ -0.00064 0.00021 0.00019 0.00005 0.00015 178 18 H 1S -0.01130 -0.00153 0.00084 -0.00049 0.00105 179 2S -0.01564 -0.00142 -0.00035 -0.00060 0.00164 180 19 H 1S 0.00373 0.00043 -0.00004 0.00002 -0.00076 181 2S 0.01024 0.00090 0.00003 0.00018 -0.00236 182 20 H 1S -0.00639 0.00097 0.00158 0.00107 0.00802 183 2S -0.01092 0.00181 -0.00105 0.00170 0.00787 184 21 H 1S 0.04929 0.00343 -0.00271 -0.00090 -0.01118 185 2S 0.04019 0.00395 -0.00247 0.00118 -0.00994 186 22 O 1S 0.00352 -0.00017 -0.00116 -0.00023 -0.00032 187 2S -0.00198 0.00020 0.00225 0.00064 0.00043 188 2PX -0.02783 0.00346 -0.00335 -0.00240 0.00346 189 2PY -0.05114 0.00335 -0.00816 -0.00087 -0.00351 190 2PZ 0.00286 0.00216 0.00486 -0.00470 0.00642 191 3S -0.01697 -0.00027 0.00149 -0.00050 -0.00011 192 3PX -0.02692 0.00206 -0.00264 -0.00152 0.00287 193 3PY -0.02879 0.00220 -0.00461 -0.00018 -0.00172 194 3PZ -0.00110 0.00112 0.00336 -0.00276 0.00397 195 4XX -0.00044 0.00008 -0.00015 0.00000 -0.00013 196 4YY 0.00269 -0.00011 0.00038 0.00017 0.00033 197 4ZZ 0.00037 0.00005 -0.00009 -0.00002 -0.00009 198 4XY -0.00104 -0.00027 0.00005 0.00014 -0.00002 199 4XZ -0.00016 0.00001 0.00005 -0.00005 0.00008 200 4YZ -0.00011 -0.00018 -0.00021 0.00036 -0.00050 201 23 O 1S -0.00249 0.00019 0.00023 0.00014 0.00004 202 2S 0.00537 -0.00025 -0.00033 -0.00014 0.00010 203 2PX -0.05373 0.00033 -0.00031 0.00138 -0.00192 204 2PY 0.00735 -0.00016 -0.00095 0.00003 0.00149 205 2PZ -0.04531 -0.00146 0.00010 -0.00022 0.00269 206 3S 0.00174 -0.00152 0.00031 -0.00118 -0.00085 207 3PX -0.03835 0.00027 -0.00010 0.00108 -0.00171 208 3PY 0.00449 -0.00042 -0.00038 -0.00029 0.00072 209 3PZ -0.03396 -0.00127 0.00001 -0.00015 0.00243 210 4XX -0.00059 0.00005 -0.00001 0.00005 0.00008 211 4YY 0.00060 0.00008 -0.00007 0.00007 0.00005 212 4ZZ 0.00051 0.00003 0.00000 0.00003 0.00001 213 4XY -0.00232 -0.00001 -0.00006 0.00003 0.00005 214 4XZ -0.00045 -0.00003 0.00001 -0.00002 -0.00002 215 4YZ -0.00212 -0.00002 0.00003 0.00001 -0.00004 161 162 163 164 165 161 4XZ 0.00063 162 4YZ -0.00015 0.00105 163 17 C 1S 0.00326 0.00335 2.05381 164 2S -0.00649 -0.00643 -0.07109 0.35855 165 2PX 0.00256 0.00737 -0.00061 0.00241 0.37725 166 2PY 0.00683 0.00084 0.00350 -0.00756 -0.01133 167 2PZ -0.00006 -0.00206 0.00102 -0.00365 -0.06931 168 3S -0.00436 -0.00592 -0.14982 0.25478 0.00259 169 3PX 0.00077 0.00210 -0.00725 0.00851 0.08621 170 3PY 0.00068 0.00219 0.06048 -0.08069 0.01005 171 3PZ 0.00074 0.00040 -0.00431 0.00555 0.04163 172 4XX -0.00022 0.00058 -0.01269 -0.01195 0.00171 173 4YY 0.00046 -0.00001 -0.01530 -0.00363 -0.00015 174 4ZZ -0.00004 0.00000 -0.01103 -0.01542 -0.00107 175 4XY -0.00015 0.00025 0.00044 -0.00159 -0.00643 176 4XZ 0.00041 -0.00002 0.00244 -0.00539 -0.00059 177 4YZ 0.00013 0.00063 0.00044 -0.00127 0.01374 178 18 H 1S 0.00104 -0.00096 0.01078 -0.02379 -0.03953 179 2S 0.00060 -0.00200 0.01881 -0.03589 -0.07197 180 19 H 1S -0.00007 0.00055 -0.00725 0.01682 0.02828 181 2S -0.00037 0.00122 -0.01020 0.02150 0.04407 182 20 H 1S -0.00008 -0.00576 -0.00877 0.01999 -0.02590 183 2S -0.00056 -0.00558 -0.01160 0.02373 -0.04198 184 21 H 1S -0.00781 0.00850 0.01124 -0.02469 0.03847 185 2S -0.00490 0.00750 0.02036 -0.03633 0.07441 186 22 O 1S -0.00005 0.00036 0.01187 -0.01328 0.00379 187 2S 0.00055 -0.00069 -0.02038 0.02305 -0.00908 188 2PX 0.00003 0.00619 -0.00967 0.01823 0.14980 189 2PY -0.00276 0.00512 0.10128 -0.21849 0.05412 190 2PZ 0.00256 0.00479 -0.00765 0.01501 0.11120 191 3S 0.00060 0.00032 -0.01281 -0.03473 0.00167 192 3PX -0.00031 0.00400 -0.00492 0.00836 0.07892 193 3PY -0.00174 0.00281 0.05718 -0.11196 0.02857 194 3PZ 0.00173 0.00364 -0.00424 0.00748 0.07937 195 4XX 0.00000 0.00020 0.00412 -0.00509 0.00274 196 4YY 0.00000 -0.00046 -0.00903 0.01950 -0.00501 197 4ZZ 0.00002 0.00008 0.00413 -0.00502 0.00068 198 4XY -0.00008 -0.00043 0.00130 -0.00250 -0.01604 199 4XZ 0.00005 0.00003 -0.00009 0.00028 0.00147 200 4YZ -0.00012 -0.00014 0.00107 -0.00185 -0.00316 201 23 O 1S -0.00010 0.00004 -0.00036 0.00095 0.00021 202 2S 0.00030 -0.00032 -0.00070 0.00008 -0.00094 203 2PX -0.00032 0.00296 -0.00027 0.00025 -0.00205 204 2PY 0.00070 -0.00169 -0.00207 0.00770 -0.00056 205 2PZ -0.00031 -0.00014 -0.00096 0.00090 -0.00949 206 3S 0.00046 0.00040 0.01007 -0.01475 0.00051 207 3PX -0.00037 0.00275 0.00026 -0.00055 0.00216 208 3PY 0.00049 -0.00100 0.00089 0.00135 -0.00026 209 3PZ -0.00017 -0.00002 -0.00059 0.00012 -0.00879 210 4XX -0.00002 -0.00001 -0.00071 0.00073 -0.00024 211 4YY 0.00002 -0.00004 -0.00048 0.00073 0.00005 212 4ZZ -0.00001 -0.00005 -0.00064 0.00056 -0.00012 213 4XY 0.00000 -0.00004 0.00000 0.00007 -0.00076 214 4XZ 0.00001 0.00002 0.00013 -0.00025 -0.00009 215 4YZ -0.00003 0.00002 -0.00006 0.00018 -0.00018 166 167 168 169 170 166 2PY 0.42606 167 2PZ -0.00950 0.32857 168 3S -0.04864 0.00927 0.22567 169 3PX 0.01369 0.04144 0.00904 0.04066 170 3PY -0.00595 -0.00089 -0.05925 -0.00235 0.03597 171 3PZ 0.01082 0.12312 0.00693 0.02830 -0.00080 172 4XX -0.01636 -0.00015 -0.00596 -0.00138 0.00512 173 4YY 0.01793 0.00049 -0.00696 0.00132 -0.00312 174 4ZZ -0.01244 0.00106 -0.00805 -0.00080 0.00474 175 4XY -0.00246 0.01401 0.00135 0.00499 -0.00055 176 4XZ 0.00722 -0.00248 -0.00384 -0.00045 0.00010 177 4YZ -0.00040 0.00341 -0.00023 0.00195 0.00034 178 18 H 1S 0.01278 0.01908 -0.04166 -0.01058 0.02963 179 2S -0.00801 0.04012 -0.03913 -0.01111 0.02479 180 19 H 1S -0.01601 -0.00893 0.03884 0.01629 -0.00020 181 2S -0.02424 -0.01716 0.03596 0.01921 0.00009 182 20 H 1S -0.02210 0.02038 0.04606 -0.01497 -0.00466 183 2S -0.03318 0.03423 0.04563 -0.01735 -0.00638 184 21 H 1S 0.01482 -0.02902 -0.04010 0.00238 0.03175 185 2S -0.00999 -0.05440 -0.04371 0.00219 0.03071 186 22 O 1S -0.04814 0.00348 0.03130 0.00045 0.00298 187 2S 0.11032 -0.01008 -0.08068 0.00113 -0.03149 188 2PX 0.05615 0.10937 0.03213 0.11643 -0.01410 189 2PY -0.38653 0.05518 -0.15311 0.00402 0.05491 190 2PZ 0.05317 0.23611 0.01509 0.04634 -0.00678 191 3S 0.02670 0.00705 -0.13691 0.00394 -0.03498 192 3PX 0.03094 0.07880 0.01988 0.07447 -0.01014 193 3PY -0.20309 0.03002 -0.08117 0.00243 0.03093 194 3PZ 0.03089 0.13893 0.00816 0.02818 -0.00473 195 4XX -0.00498 0.00026 -0.00150 0.00063 0.00258 196 4YY 0.02180 -0.00513 0.01505 -0.00108 -0.00374 197 4ZZ -0.00458 0.00212 -0.00187 -0.00003 0.00228 198 4XY -0.00452 -0.00318 -0.00246 -0.00720 0.00077 199 4XZ 0.00135 0.00197 -0.00019 0.00091 -0.00052 200 4YZ -0.00399 -0.01893 -0.00180 -0.00340 0.00063 201 23 O 1S 0.00037 0.00027 -0.00332 -0.00010 0.00182 202 2S 0.00242 -0.00054 0.00611 0.00022 0.00103 203 2PX -0.00215 -0.01484 -0.00478 0.02941 0.00238 204 2PY -0.00832 0.00202 0.00346 -0.00052 0.01806 205 2PZ -0.00436 -0.01354 0.00344 -0.02346 -0.00101 206 3S -0.01310 -0.00348 -0.00861 -0.00011 -0.00895 207 3PX -0.00211 -0.01332 -0.00362 0.02137 0.00090 208 3PY -0.00895 0.00173 -0.00174 -0.00048 0.00759 209 3PZ -0.00315 -0.00844 0.00396 -0.01669 -0.00254 210 4XX 0.00113 -0.00004 0.00074 0.00012 -0.00016 211 4YY 0.00028 0.00036 0.00038 0.00001 0.00173 212 4ZZ 0.00126 -0.00019 0.00062 -0.00014 -0.00021 213 4XY -0.00039 -0.00043 -0.00010 0.00077 0.00017 214 4XZ 0.00014 -0.00026 -0.00040 -0.00001 -0.00004 215 4YZ -0.00033 -0.00119 -0.00022 -0.00086 0.00037 171 172 173 174 175 171 3PZ 0.06508 172 4XX -0.00032 0.00216 173 4YY 0.00094 -0.00121 0.00226 174 4ZZ -0.00101 0.00096 -0.00070 0.00175 175 4XY 0.00220 -0.00031 0.00005 0.00041 0.00399 176 4XZ -0.00093 -0.00018 0.00055 -0.00030 -0.00030 177 4YZ 0.00669 0.00020 0.00005 -0.00019 -0.00133 178 18 H 1S 0.00257 0.00369 -0.00366 0.00529 0.00326 179 2S -0.00027 0.00222 -0.00283 0.00593 0.00818 180 19 H 1S -0.00424 0.00110 -0.00238 -0.00005 -0.00076 181 2S -0.00688 0.00110 -0.00297 0.00016 -0.00235 182 20 H 1S 0.01105 0.00002 -0.00227 0.00050 0.00084 183 2S 0.01354 -0.00011 -0.00287 0.00097 0.00294 184 21 H 1S -0.00723 0.00562 -0.00409 0.00333 -0.00171 185 2S -0.00844 0.00557 -0.00358 0.00300 -0.00728 186 22 O 1S 0.00021 0.00574 -0.01313 0.00484 0.00186 187 2S -0.00026 -0.01260 0.02427 -0.01075 -0.00389 188 2PX 0.04579 -0.00987 0.00584 0.00077 0.04610 189 2PY 0.01283 0.01971 -0.00717 0.01850 0.00617 190 2PZ 0.15490 -0.00105 0.00382 -0.00526 -0.01139 191 3S 0.00488 -0.01077 0.02861 -0.00834 -0.00265 192 3PX 0.02806 -0.00666 0.00394 0.00099 0.03299 193 3PY 0.00710 0.01033 -0.00361 0.00959 0.00357 194 3PZ 0.09751 -0.00054 0.00258 -0.00344 -0.00876 195 4XX 0.00009 0.00059 -0.00063 0.00050 0.00031 196 4YY -0.00181 -0.00115 -0.00004 -0.00120 -0.00047 197 4ZZ 0.00088 0.00046 -0.00050 0.00050 0.00001 198 4XY -0.00340 0.00050 -0.00031 0.00014 -0.00168 199 4XZ 0.00121 -0.00015 0.00025 -0.00014 0.00011 200 4YZ -0.01001 0.00017 -0.00023 0.00029 0.00004 201 23 O 1S -0.00013 0.00011 -0.00037 0.00009 0.00001 202 2S -0.00041 -0.00033 0.00117 -0.00009 -0.00011 203 2PX -0.02446 0.00038 0.00080 -0.00163 0.00171 204 2PY -0.00298 -0.00051 0.00251 0.00055 -0.00062 205 2PZ 0.01508 0.00012 0.00092 -0.00158 0.00345 206 3S -0.00083 -0.00044 0.00210 -0.00001 0.00021 207 3PX -0.01761 0.00029 0.00062 -0.00127 0.00099 208 3PY -0.00140 -0.00043 0.00175 0.00035 -0.00033 209 3PZ 0.01083 -0.00008 0.00078 -0.00119 0.00293 210 4XX -0.00005 0.00002 -0.00008 -0.00006 0.00002 211 4YY -0.00011 0.00001 0.00005 0.00005 -0.00004 212 4ZZ 0.00008 -0.00006 -0.00005 -0.00001 -0.00003 213 4XY -0.00089 0.00002 0.00002 -0.00004 0.00011 214 4XZ -0.00008 -0.00001 0.00006 -0.00002 0.00003 215 4YZ 0.00029 0.00003 0.00002 -0.00006 0.00009 176 177 178 179 180 176 4XZ 0.00058 177 4YZ -0.00019 0.00308 178 18 H 1S -0.00554 0.00078 0.21485 179 2S -0.00383 -0.00403 0.15501 0.13494 180 19 H 1S 0.00023 -0.00039 -0.02269 -0.02486 0.21485 181 2S -0.00010 0.00064 -0.02486 -0.02733 0.15501 182 20 H 1S -0.00031 -0.00019 0.00187 0.00819 -0.01126 183 2S -0.00078 -0.00120 0.00771 0.02121 -0.02021 184 21 H 1S -0.00408 0.00140 -0.01126 -0.01955 0.00187 185 2S -0.00228 0.00557 -0.02021 -0.03230 0.00771 186 22 O 1S -0.00151 0.00129 0.00322 -0.00374 0.00150 187 2S 0.00334 -0.00263 -0.00599 0.00644 -0.00266 188 2PX -0.00276 -0.01104 -0.00370 0.03611 -0.01786 189 2PY -0.00391 0.00314 0.01751 0.04848 0.00895 190 2PZ -0.00290 0.03894 0.02492 -0.02442 -0.00176 191 3S 0.00359 -0.00196 -0.02191 0.00405 -0.01184 192 3PX -0.00200 -0.00847 -0.00066 0.03033 -0.01733 193 3PY -0.00230 0.00160 0.01529 0.03147 0.00826 194 3PZ -0.00196 0.02730 0.01723 -0.01855 -0.00040 195 4XX -0.00007 0.00001 0.00098 0.00100 0.00060 196 4YY 0.00010 -0.00031 -0.00053 -0.00280 0.00020 197 4ZZ -0.00009 0.00028 0.00148 0.00123 0.00033 198 4XY 0.00012 0.00003 0.00128 0.00069 0.00003 199 4XZ 0.00004 0.00014 -0.00073 -0.00057 -0.00005 200 4YZ 0.00018 -0.00172 -0.00166 0.00003 0.00035 201 23 O 1S 0.00004 0.00003 0.00150 0.00197 0.00322 202 2S 0.00006 -0.00016 -0.00266 -0.00367 -0.00599 203 2PX 0.00025 0.00396 -0.01786 -0.02953 -0.00371 204 2PY 0.00041 -0.00086 -0.00895 -0.01437 -0.01751 205 2PZ 0.00021 0.00476 -0.00176 0.00710 0.02492 206 3S 0.00024 0.00032 -0.01184 -0.00992 -0.02191 207 3PX 0.00021 0.00339 -0.01733 -0.02632 -0.00066 208 3PY 0.00032 -0.00055 -0.00826 -0.01030 -0.01529 209 3PZ 0.00016 0.00357 -0.00040 0.00668 0.01722 210 4XX -0.00001 0.00000 0.00060 0.00046 0.00098 211 4YY 0.00001 -0.00006 0.00020 -0.00006 -0.00053 212 4ZZ -0.00001 -0.00002 0.00033 0.00030 0.00148 213 4XY 0.00000 0.00012 -0.00003 -0.00009 -0.00128 214 4XZ 0.00001 0.00004 -0.00005 -0.00013 -0.00073 215 4YZ 0.00001 0.00018 -0.00035 -0.00021 0.00166 181 182 183 184 185 181 2S 0.13494 182 20 H 1S -0.01955 0.21460 183 2S -0.03230 0.15568 0.13803 184 21 H 1S 0.00819 -0.02309 -0.02565 0.21460 185 2S 0.02121 -0.02565 -0.03016 0.15568 0.13803 186 22 O 1S 0.00197 0.00163 0.00255 0.00337 -0.00418 187 2S -0.00367 -0.00307 -0.00556 -0.00650 0.00679 188 2PX -0.02953 0.01278 0.02786 0.01146 -0.04155 189 2PY 0.01437 0.01251 0.02161 0.01588 0.05049 190 2PZ 0.00710 -0.00860 -0.01565 -0.01504 0.01745 191 3S -0.00992 -0.01181 -0.00992 -0.02321 0.00404 192 3PX -0.02632 0.01307 0.02501 0.00651 -0.03275 193 3PY 0.01030 0.01111 0.01538 0.01368 0.03116 194 3PZ 0.00668 -0.00911 -0.01457 -0.00974 0.01584 195 4XX 0.00046 0.00044 0.00038 0.00169 0.00147 196 4YY -0.00006 0.00016 -0.00034 -0.00065 -0.00314 197 4ZZ 0.00030 0.00046 0.00036 0.00085 0.00111 198 4XY 0.00009 0.00019 0.00004 -0.00149 -0.00001 199 4XZ -0.00013 -0.00007 -0.00011 -0.00078 -0.00059 200 4YZ 0.00021 -0.00015 -0.00025 0.00147 0.00098 201 23 O 1S -0.00374 0.00337 -0.00418 0.00163 0.00255 202 2S 0.00644 -0.00650 0.00679 -0.00307 -0.00556 203 2PX 0.03611 0.01146 -0.04156 0.01278 0.02786 204 2PY -0.04848 -0.01588 -0.05049 -0.01251 -0.02161 205 2PZ -0.02442 -0.01504 0.01745 -0.00860 -0.01565 206 3S 0.00405 -0.02321 0.00404 -0.01181 -0.00992 207 3PX 0.03033 0.00651 -0.03275 0.01307 0.02501 208 3PY -0.03147 -0.01368 -0.03116 -0.01111 -0.01538 209 3PZ -0.01855 -0.00974 0.01584 -0.00911 -0.01457 210 4XX 0.00100 0.00169 0.00147 0.00044 0.00038 211 4YY -0.00280 -0.00065 -0.00314 0.00016 -0.00034 212 4ZZ 0.00123 0.00085 0.00111 0.00046 0.00036 213 4XY -0.00069 0.00149 0.00001 -0.00019 -0.00004 214 4XZ -0.00057 -0.00078 -0.00059 -0.00007 -0.00011 215 4YZ -0.00003 -0.00147 -0.00098 0.00015 0.00025 186 187 188 189 190 186 22 O 1S 2.07880 187 2S -0.18258 0.50275 188 2PX 0.00357 -0.01037 0.74001 189 2PY -0.04157 0.08231 0.00375 0.60252 190 2PZ 0.00242 -0.00714 -0.13055 -0.01037 0.64453 191 3S -0.24637 0.60155 -0.00762 0.24765 -0.00316 192 3PX 0.00268 -0.00714 0.51018 0.01082 -0.10125 193 3PY -0.03430 0.06275 0.00634 0.32613 -0.00603 194 3PZ 0.00175 -0.00445 -0.10109 -0.00261 0.43483 195 4XX -0.01192 -0.01061 0.00380 0.00523 -0.00172 196 4YY -0.01047 -0.01115 -0.00242 -0.04179 -0.00167 197 4ZZ -0.01282 -0.00868 -0.00166 0.00526 0.00343 198 4XY -0.00025 0.00042 -0.03420 0.00195 0.00065 199 4XZ -0.00138 0.00298 0.00253 0.00020 0.00305 200 4YZ -0.00030 0.00059 0.00080 0.00173 -0.03363 201 23 O 1S 0.00020 -0.00032 -0.00016 0.00018 -0.00018 202 2S -0.00032 0.00228 0.00033 -0.00436 -0.00012 203 2PX -0.00016 0.00033 0.02790 0.00394 0.02911 204 2PY -0.00018 0.00436 -0.00394 -0.00082 -0.00668 205 2PZ -0.00018 -0.00012 0.02911 0.00668 0.04768 206 3S -0.00116 -0.00212 0.00117 0.01440 0.00193 207 3PX -0.00011 -0.00005 0.01994 0.00381 0.02407 208 3PY -0.00024 0.00142 -0.00247 0.00372 -0.00434 209 3PZ -0.00012 -0.00021 0.02418 0.00502 0.03577 210 4XX 0.00004 0.00027 0.00022 -0.00118 0.00010 211 4YY 0.00012 0.00025 -0.00018 -0.00057 -0.00047 212 4ZZ 0.00003 0.00030 -0.00007 -0.00140 -0.00020 213 4XY 0.00001 -0.00005 0.00083 0.00035 0.00110 214 4XZ -0.00001 -0.00002 0.00031 -0.00009 0.00042 215 4YZ 0.00002 -0.00003 0.00100 0.00031 0.00152 191 192 193 194 195 191 3S 0.77265 192 3PX -0.00248 0.35396 193 3PY 0.15099 0.00876 0.17852 194 3PZ -0.00016 -0.07726 -0.00186 0.29554 195 4XX -0.01144 0.00259 0.00264 -0.00119 0.00052 196 4YY -0.02406 -0.00215 -0.02254 -0.00137 -0.00014 197 4ZZ -0.00899 -0.00112 0.00265 0.00233 0.00041 198 4XY 0.00086 -0.02286 0.00086 0.00090 -0.00017 199 4XZ 0.00380 0.00166 0.00017 0.00197 -0.00006 200 4YZ 0.00070 0.00099 0.00091 -0.02208 0.00009 201 23 O 1S -0.00116 -0.00011 0.00024 -0.00012 0.00004 202 2S -0.00212 -0.00005 -0.00142 -0.00021 0.00027 203 2PX 0.00117 0.01994 0.00247 0.02418 0.00022 204 2PY -0.01440 -0.00381 0.00372 -0.00502 0.00118 205 2PZ 0.00193 0.02407 0.00434 0.03577 0.00010 206 3S 0.01365 0.00165 0.00406 0.00233 -0.00017 207 3PX 0.00165 0.01414 0.00208 0.01994 0.00015 208 3PY -0.00406 -0.00208 0.00309 -0.00312 0.00053 209 3PZ 0.00233 0.01994 0.00312 0.02688 0.00004 210 4XX -0.00017 0.00015 -0.00053 0.00004 -0.00002 211 4YY -0.00175 -0.00025 0.00015 -0.00040 0.00010 212 4ZZ -0.00008 -0.00007 -0.00070 -0.00016 -0.00003 213 4XY -0.00008 0.00069 0.00023 0.00089 0.00001 214 4XZ 0.00013 0.00025 -0.00010 0.00034 0.00000 215 4YZ -0.00016 0.00079 0.00022 0.00121 0.00001 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00017 0.00042 198 4XY 0.00000 0.00009 0.00185 199 4XZ -0.00008 -0.00005 -0.00015 0.00006 200 4YZ 0.00002 -0.00017 0.00016 -0.00019 0.00195 201 23 O 1S 0.00012 0.00003 -0.00001 -0.00001 -0.00002 202 2S 0.00025 0.00030 0.00005 -0.00002 0.00003 203 2PX -0.00018 -0.00007 -0.00083 0.00031 -0.00100 204 2PY 0.00057 0.00140 0.00035 0.00009 0.00031 205 2PZ -0.00047 -0.00020 -0.00110 0.00042 -0.00152 206 3S -0.00175 -0.00008 0.00008 0.00013 0.00016 207 3PX -0.00025 -0.00007 -0.00069 0.00025 -0.00079 208 3PY -0.00015 0.00070 0.00023 0.00010 0.00022 209 3PZ -0.00040 -0.00016 -0.00089 0.00034 -0.00121 210 4XX 0.00010 -0.00003 -0.00001 0.00000 -0.00001 211 4YY 0.00010 0.00010 0.00001 -0.00001 0.00001 212 4ZZ 0.00010 -0.00003 -0.00001 0.00000 0.00001 213 4XY -0.00001 0.00001 -0.00001 0.00001 -0.00003 214 4XZ -0.00001 0.00000 -0.00001 0.00001 -0.00001 215 4YZ -0.00001 -0.00001 -0.00003 0.00001 -0.00002 201 202 203 204 205 201 23 O 1S 2.07880 202 2S -0.18258 0.50275 203 2PX 0.00357 -0.01037 0.74001 204 2PY 0.04157 -0.08231 -0.00375 0.60252 205 2PZ 0.00242 -0.00714 -0.13055 0.01037 0.64453 206 3S -0.24637 0.60155 -0.00762 -0.24765 -0.00316 207 3PX 0.00268 -0.00714 0.51018 -0.01082 -0.10125 208 3PY 0.03430 -0.06275 -0.00634 0.32613 0.00603 209 3PZ 0.00175 -0.00445 -0.10109 0.00262 0.43483 210 4XX -0.01192 -0.01061 0.00380 -0.00523 -0.00172 211 4YY -0.01047 -0.01115 -0.00242 0.04179 -0.00167 212 4ZZ -0.01282 -0.00868 -0.00166 -0.00526 0.00343 213 4XY 0.00025 -0.00042 0.03420 0.00195 -0.00065 214 4XZ -0.00138 0.00298 0.00253 -0.00020 0.00305 215 4YZ 0.00030 -0.00059 -0.00080 0.00173 0.03363 206 207 208 209 210 206 3S 0.77265 207 3PX -0.00248 0.35396 208 3PY -0.15099 -0.00876 0.17852 209 3PZ -0.00016 -0.07726 0.00186 0.29554 210 4XX -0.01144 0.00260 -0.00264 -0.00119 0.00052 211 4YY -0.02406 -0.00215 0.02254 -0.00137 -0.00014 212 4ZZ -0.00899 -0.00112 -0.00265 0.00233 0.00041 213 4XY -0.00086 0.02286 0.00086 -0.00090 0.00017 214 4XZ 0.00380 0.00166 -0.00017 0.00197 -0.00006 215 4YZ -0.00070 -0.00099 0.00091 0.02208 -0.00009 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00017 0.00042 213 4XY 0.00000 -0.00009 0.00185 214 4XZ -0.00008 -0.00005 0.00015 0.00006 215 4YZ -0.00002 0.00017 0.00016 0.00019 0.00195 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05588 2 2S -0.01390 0.33136 3 2PX 0.00000 0.00000 0.36493 4 2PY 0.00000 0.00000 0.00000 0.42724 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.35262 6 3S -0.03805 0.25401 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10894 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07727 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09448 10 4XX -0.00095 -0.00812 0.00000 0.00000 0.00000 11 4YY -0.00152 0.00216 0.00000 0.00000 0.00000 12 4ZZ -0.00101 -0.00708 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 C 1S 0.00000 -0.00045 -0.00153 -0.00024 -0.00083 17 2S -0.00049 0.01003 0.02457 0.00323 0.01296 18 2PX -0.00161 0.02420 0.01112 0.00781 0.04059 19 2PY -0.00029 0.00507 0.01117 -0.00073 0.00541 20 2PZ -0.00069 0.01081 0.04405 0.00278 -0.00034 21 3S 0.00086 0.00257 0.01025 0.00561 0.00959 22 3PX -0.00057 0.01205 -0.00048 0.00358 0.01834 23 3PY -0.00027 0.00199 0.00775 0.00381 0.00299 24 3PZ 0.00043 0.00072 0.01847 0.00062 0.00380 25 4XX -0.00006 0.00108 -0.00085 0.00062 0.00157 26 4YY 0.00001 -0.00059 -0.00079 0.00004 -0.00050 27 4ZZ -0.00001 0.00013 0.00052 0.00018 -0.00045 28 4XY -0.00005 0.00055 0.00037 0.00030 0.00061 29 4XZ -0.00012 0.00128 0.00088 0.00075 -0.00004 30 4YZ -0.00003 0.00031 0.00067 0.00020 0.00003 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00023 -0.00020 -0.00046 -0.00005 33 2PX 0.00000 -0.00014 0.00001 -0.00027 0.00004 34 2PY 0.00000 -0.00045 -0.00045 -0.00043 -0.00027 35 2PZ 0.00000 -0.00010 -0.00007 -0.00015 0.00001 36 3S 0.00005 -0.00233 0.00232 -0.00784 0.00025 37 3PX -0.00004 -0.00014 0.00015 -0.00131 0.00024 38 3PY 0.00007 -0.00249 0.00083 -0.00408 -0.00075 39 3PZ -0.00001 -0.00013 0.00081 -0.00037 -0.00042 40 4XX 0.00000 0.00000 0.00001 0.00000 -0.00001 41 4YY 0.00000 0.00004 0.00005 0.00008 0.00003 42 4ZZ 0.00000 0.00000 -0.00001 0.00001 0.00000 43 4XY 0.00000 0.00004 0.00001 0.00009 0.00008 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00002 0.00009 0.00004 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00018 0.00000 -0.00055 0.00000 48 2PX 0.00000 0.00000 -0.00025 0.00000 0.00000 49 2PY 0.00000 -0.00055 0.00000 -0.00120 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00024 51 3S 0.00018 -0.00251 0.00000 -0.00475 0.00000 52 3PX 0.00000 0.00000 -0.00421 0.00000 0.00000 53 3PY 0.00029 -0.00282 0.00000 -0.00194 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00261 55 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 56 4YY 0.00000 0.00010 0.00000 0.00040 0.00000 57 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 61 5 H 1S -0.00213 0.03297 0.00305 0.09119 0.00516 62 2S -0.00137 0.01288 0.00078 0.05326 0.00338 63 6 H 1S 0.00000 -0.00014 -0.00035 0.00000 -0.00022 64 2S 0.00020 -0.00277 -0.00599 -0.00015 -0.00349 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S -0.00001 0.00018 0.00028 0.00020 0.00010 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00017 0.00002 0.00049 0.00000 69 9 C 1S 0.00000 -0.00020 -0.00011 -0.00077 -0.00046 70 2S -0.00020 0.00539 0.00244 0.01452 0.00889 71 2PX -0.00008 0.00134 0.00028 0.00328 0.00315 72 2PY -0.00086 0.01753 0.00568 0.02276 0.02640 73 2PZ -0.00053 0.01024 0.00412 0.02073 0.00377 74 3S 0.00024 0.00296 0.00143 0.01982 0.00991 75 3PX -0.00002 0.00076 0.00294 0.00168 0.00193 76 3PY -0.00071 0.01147 0.00407 0.00400 0.01756 77 3PZ -0.00049 0.00732 0.00133 0.01122 -0.00216 78 4XX 0.00000 -0.00028 0.00003 -0.00033 -0.00029 79 4YY -0.00005 0.00098 0.00037 -0.00063 0.00108 80 4ZZ 0.00000 -0.00001 -0.00006 0.00041 -0.00028 81 4XY -0.00002 0.00028 0.00046 0.00031 0.00054 82 4XZ -0.00001 0.00019 0.00016 0.00037 -0.00002 83 4YZ -0.00008 0.00144 0.00048 0.00153 0.00006 84 10 H 1S 0.00000 -0.00009 -0.00012 -0.00010 -0.00019 85 2S 0.00013 -0.00182 -0.00308 -0.00138 -0.00190 86 11 H 1S 0.00000 -0.00019 0.00004 -0.00016 -0.00005 87 2S 0.00020 -0.00344 0.00020 -0.00222 -0.00269 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 90 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 91 2PY 0.00000 0.00000 -0.00002 -0.00001 -0.00002 92 2PZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 93 3S 0.00001 -0.00051 -0.00037 -0.00069 0.00024 94 3PX 0.00003 -0.00077 -0.00034 -0.00060 -0.00060 95 3PY 0.00001 -0.00037 -0.00021 -0.00032 -0.00004 96 3PZ 0.00002 -0.00074 -0.00099 -0.00049 -0.00008 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00015 0.00009 -0.00001 0.00012 105 2PX 0.00000 0.00011 0.00195 0.00010 0.00165 106 2PY 0.00000 -0.00001 0.00012 -0.00003 0.00009 107 2PZ 0.00000 0.00016 0.00183 0.00006 0.00130 108 3S 0.00014 0.00024 0.00128 0.00037 -0.00018 109 3PX 0.00005 -0.00060 0.00479 0.00029 0.00881 110 3PY 0.00003 -0.00054 -0.00010 0.00052 0.00047 111 3PZ 0.00002 0.00112 0.00941 0.00039 0.00292 112 4XX 0.00000 0.00002 0.00001 0.00001 0.00007 113 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 114 4ZZ 0.00000 0.00000 0.00006 0.00001 -0.00001 115 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 116 4XZ 0.00000 0.00005 0.00011 0.00001 0.00005 117 4YZ 0.00000 0.00001 0.00002 0.00000 0.00001 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 120 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00001 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 123 3S 0.00001 -0.00019 -0.00015 0.00002 0.00006 124 3PX 0.00001 -0.00059 -0.00010 -0.00004 0.00011 125 3PY 0.00000 -0.00007 -0.00020 -0.00002 0.00004 126 3PZ 0.00001 -0.00009 0.00015 -0.00001 -0.00001 127 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00001 0.00004 0.00000 0.00000 139 3PX 0.00000 0.00003 0.00001 0.00001 0.00000 140 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 0.00002 0.00001 0.00000 169 3PX 0.00000 0.00000 0.00002 0.00001 -0.00001 170 3PY 0.00000 0.00002 0.00001 0.00000 -0.00001 171 3PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 0.00002 0.00003 0.00006 180 19 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00005 181 2S 0.00002 -0.00037 0.00007 -0.00001 -0.00127 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00003 0.00000 0.00000 207 3PX 0.00000 -0.00002 -0.00015 -0.00002 -0.00003 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.34826 7 3PX 0.00000 0.12345 8 3PY 0.00000 0.00000 0.05500 9 3PZ 0.00000 0.00000 0.00000 0.08841 10 4XX -0.00815 0.00000 0.00000 0.00000 0.00154 11 4YY 0.00396 0.00000 0.00000 0.00000 -0.00027 12 4ZZ -0.00504 0.00000 0.00000 0.00000 0.00007 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 C 1S -0.00050 -0.00113 -0.00037 -0.00046 -0.00007 17 2S 0.01227 0.01519 0.00423 0.00539 0.00120 18 2PX 0.03049 -0.00002 0.00509 0.01899 -0.00106 19 2PY 0.00116 0.00500 0.00400 0.00229 0.00056 20 2PZ 0.00463 0.02362 -0.00033 0.00303 0.00226 21 3S -0.01656 -0.00450 0.00367 0.00515 0.00227 22 3PX 0.02074 0.00734 0.00310 0.01573 -0.00134 23 3PY -0.00059 0.00626 0.00588 0.00141 0.00047 24 3PZ -0.01150 0.01675 -0.00171 0.01117 0.00229 25 4XX 0.00173 -0.00119 0.00018 0.00145 -0.00004 26 4YY -0.00122 -0.00066 -0.00025 -0.00054 -0.00002 27 4ZZ -0.00018 0.00120 -0.00003 -0.00077 -0.00001 28 4XY 0.00033 0.00001 0.00020 0.00011 0.00001 29 4XZ 0.00037 0.00002 0.00008 0.00004 0.00001 30 4YZ 0.00025 0.00020 -0.00003 0.00001 -0.00006 31 3 C 1S 0.00010 0.00006 0.00008 0.00001 0.00000 32 2S -0.00270 -0.00163 -0.00202 -0.00027 0.00000 33 2PX -0.00178 0.00000 0.00076 -0.00024 -0.00002 34 2PY 0.00009 -0.00165 0.00288 -0.00151 -0.00001 35 2PZ -0.00284 -0.00152 -0.00306 -0.00016 0.00004 36 3S -0.00575 0.00656 -0.01062 -0.00054 0.00015 37 3PX -0.00012 -0.00236 0.00252 -0.00089 -0.00016 38 3PY 0.00124 0.00290 0.00037 -0.00195 -0.00009 39 3PZ -0.00479 -0.00073 -0.00477 -0.00149 0.00040 40 4XX -0.00005 0.00017 0.00001 -0.00007 0.00000 41 4YY 0.00038 0.00006 0.00038 0.00003 0.00000 42 4ZZ 0.00004 -0.00014 -0.00011 0.00006 0.00000 43 4XY 0.00026 0.00000 0.00016 0.00017 0.00000 44 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 45 4YZ 0.00005 0.00024 0.00003 0.00003 0.00000 46 4 C 1S 0.00018 0.00000 0.00029 0.00000 0.00000 47 2S -0.00251 0.00000 -0.00282 0.00000 0.00000 48 2PX 0.00000 -0.00421 0.00000 0.00000 0.00000 49 2PY -0.00475 0.00000 -0.00194 0.00000 -0.00001 50 2PZ 0.00000 0.00000 0.00000 -0.00261 0.00000 51 3S -0.00608 0.00000 -0.00411 0.00000 -0.00022 52 3PX 0.00000 -0.01652 0.00000 0.00000 0.00000 53 3PY -0.00411 0.00000 0.00166 0.00000 -0.00042 54 3PZ 0.00000 0.00000 0.00000 -0.00772 0.00000 55 4XX -0.00022 0.00000 -0.00042 0.00000 0.00000 56 4YY 0.00080 0.00000 0.00116 0.00000 0.00000 57 4ZZ -0.00005 0.00000 -0.00010 0.00000 0.00000 58 4XY 0.00000 -0.00005 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 61 5 H 1S 0.05175 0.00082 0.03928 0.00303 -0.00111 62 2S 0.03045 -0.00109 0.03043 0.00352 -0.00199 63 6 H 1S -0.00359 -0.00280 0.00013 -0.00131 0.00002 64 2S -0.01410 -0.01157 0.00026 -0.00395 0.00002 65 7 H 1S 0.00014 0.00016 0.00003 0.00006 0.00000 66 2S 0.00191 0.00198 0.00067 0.00051 0.00000 67 8 H 1S 0.00012 0.00001 0.00015 0.00001 0.00000 68 2S 0.00188 0.00017 0.00224 0.00001 0.00000 69 9 C 1S -0.00006 -0.00003 -0.00087 -0.00018 0.00000 70 2S 0.00588 0.00106 0.01086 0.00390 -0.00033 71 2PX 0.00168 0.00054 0.00098 0.00120 0.00003 72 2PY 0.01304 0.00336 0.00227 0.01506 -0.00033 73 2PZ 0.01279 0.00172 0.00916 -0.00138 -0.00039 74 3S -0.01243 -0.00060 0.01068 0.00366 -0.00030 75 3PX -0.00008 0.00318 0.00006 0.00122 -0.00016 76 3PY 0.00258 0.00289 -0.00194 0.01319 -0.00044 77 3PZ 0.00530 0.00031 0.00324 -0.00440 0.00019 78 4XX -0.00141 -0.00015 -0.00062 -0.00026 0.00002 79 4YY 0.00220 0.00022 -0.00030 0.00082 -0.00004 80 4ZZ -0.00001 0.00002 0.00039 -0.00046 -0.00001 81 4XY 0.00012 0.00059 0.00003 0.00019 0.00000 82 4XZ 0.00004 0.00009 0.00005 0.00000 0.00000 83 4YZ 0.00071 0.00020 0.00007 0.00001 -0.00003 84 10 H 1S -0.00227 -0.00092 -0.00071 -0.00109 0.00003 85 2S -0.01044 -0.00477 -0.00363 -0.00119 0.00052 86 11 H 1S -0.00237 0.00022 -0.00101 -0.00139 0.00000 87 2S -0.00857 0.00026 -0.00372 -0.00529 0.00004 88 12 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 89 2S -0.00010 -0.00013 -0.00004 -0.00007 0.00000 90 2PX -0.00037 -0.00065 -0.00026 -0.00037 0.00000 91 2PY 0.00010 -0.00079 0.00053 -0.00040 0.00000 92 2PZ -0.00048 -0.00108 -0.00021 -0.00009 0.00000 93 3S -0.00254 -0.00112 -0.00153 0.00124 0.00006 94 3PX -0.00275 -0.00151 -0.00120 -0.00198 0.00010 95 3PY -0.00006 -0.00107 0.00088 0.00004 -0.00006 96 3PZ -0.00288 -0.00483 -0.00107 -0.00017 0.00013 97 4XX 0.00001 -0.00001 0.00002 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 99 4ZZ 0.00001 -0.00001 -0.00002 -0.00001 0.00000 100 4XY -0.00001 0.00005 -0.00001 0.00007 0.00000 101 4XZ 0.00000 -0.00003 0.00002 -0.00001 0.00000 102 4YZ 0.00001 0.00009 -0.00001 0.00002 0.00000 103 13 C 1S 0.00017 0.00004 0.00003 0.00007 0.00000 104 2S -0.00093 -0.00075 0.00011 -0.00018 0.00003 105 2PX -0.00022 0.00504 -0.00031 0.00687 0.00003 106 2PY -0.00024 0.00061 0.00084 0.00028 0.00001 107 2PZ 0.00109 0.00833 -0.00021 0.00254 0.00008 108 3S -0.00098 0.00068 -0.00068 -0.00350 0.00036 109 3PX -0.00125 0.00579 -0.00056 0.01481 0.00028 110 3PY -0.00129 0.00022 0.00207 0.00071 0.00009 111 3PZ 0.00147 0.01786 -0.00080 0.00177 0.00040 112 4XX 0.00025 0.00018 0.00002 0.00031 0.00000 113 4YY -0.00006 -0.00015 0.00000 -0.00009 0.00000 114 4ZZ -0.00008 0.00031 -0.00002 0.00002 0.00000 115 4XY 0.00002 0.00005 0.00001 0.00004 0.00000 116 4XZ 0.00020 0.00020 0.00002 0.00008 -0.00001 117 4YZ 0.00004 0.00010 0.00000 0.00002 0.00000 118 14 C 1S -0.00001 0.00003 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00057 -0.00001 -0.00011 0.00000 120 2PX -0.00070 0.00093 -0.00001 -0.00009 0.00001 121 2PY -0.00004 -0.00010 -0.00002 0.00000 0.00000 122 2PZ -0.00023 0.00060 0.00000 -0.00008 0.00000 123 3S 0.00028 -0.00030 -0.00001 0.00009 0.00001 124 3PX -0.00303 0.00162 -0.00016 0.00015 0.00010 125 3PY -0.00007 -0.00036 0.00034 0.00005 0.00000 126 3PZ -0.00102 0.00123 0.00002 0.00000 0.00004 127 4XX 0.00002 0.00025 0.00001 0.00008 0.00000 128 4YY 0.00000 -0.00004 0.00000 -0.00001 0.00000 129 4ZZ -0.00001 -0.00009 0.00000 -0.00001 0.00000 130 4XY 0.00001 0.00001 -0.00002 0.00000 0.00000 131 4XZ 0.00001 0.00005 0.00000 -0.00001 0.00000 132 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00001 0.00000 0.00000 0.00000 135 2PX -0.00003 -0.00004 -0.00001 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 3S -0.00006 0.00023 0.00006 -0.00001 0.00000 139 3PX -0.00023 -0.00025 -0.00003 0.00000 -0.00001 140 3PY -0.00003 -0.00006 0.00003 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00002 -0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 -0.00009 -0.00006 0.00000 0.00000 154 3PX -0.00003 -0.00018 -0.00016 0.00000 0.00000 155 3PY 0.00000 -0.00005 -0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00003 -0.00001 0.00001 0.00000 165 2PX -0.00002 0.00000 -0.00004 0.00001 0.00000 166 2PY 0.00000 0.00005 -0.00002 0.00000 0.00000 167 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 168 3S 0.00006 0.00023 0.00003 -0.00001 0.00000 169 3PX -0.00013 0.00004 -0.00006 -0.00001 0.00000 170 3PY 0.00008 0.00010 0.00004 -0.00003 0.00000 171 3PZ -0.00001 -0.00014 -0.00005 0.00004 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 0.00005 -0.00003 0.00003 0.00000 179 2S 0.00030 0.00037 -0.00021 0.00030 0.00000 180 19 H 1S -0.00070 -0.00076 0.00002 -0.00081 0.00000 181 2S -0.00328 -0.00124 0.00003 -0.00182 -0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00002 0.00000 0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 193 3PY 0.00000 -0.00001 0.00001 0.00000 0.00000 194 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00004 -0.00003 0.00000 0.00000 203 2PX -0.00010 -0.00011 -0.00015 0.00000 0.00000 204 2PY 0.00003 0.00001 0.00000 -0.00001 0.00000 205 2PZ -0.00002 -0.00005 0.00000 0.00001 0.00000 206 3S -0.00029 -0.00002 -0.00027 0.00008 0.00000 207 3PX -0.00099 -0.00094 -0.00112 -0.00001 0.00000 208 3PY 0.00027 -0.00001 0.00001 -0.00002 0.00000 209 3PZ -0.00017 -0.00048 -0.00003 0.00021 0.00000 210 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 211 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00174 12 4ZZ -0.00014 0.00111 13 4XY 0.00000 0.00000 0.00062 14 4XZ 0.00000 0.00000 0.00000 0.00068 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 16 2 C 1S 0.00001 0.00000 -0.00005 -0.00013 -0.00002 17 2S -0.00062 -0.00008 0.00053 0.00143 0.00030 18 2PX -0.00057 0.00026 0.00043 0.00111 0.00074 19 2PY 0.00003 0.00002 0.00039 0.00043 0.00022 20 2PZ -0.00051 -0.00053 0.00076 -0.00001 0.00004 21 3S -0.00248 0.00087 0.00011 0.00045 0.00002 22 3PX -0.00055 0.00130 0.00000 0.00003 0.00008 23 3PY -0.00021 -0.00016 0.00011 0.00008 0.00001 24 3PZ -0.00075 -0.00091 0.00009 0.00008 0.00002 25 4XX -0.00003 0.00004 -0.00004 0.00000 -0.00002 26 4YY 0.00003 0.00000 0.00000 -0.00003 0.00000 27 4ZZ 0.00001 -0.00001 -0.00003 -0.00001 -0.00001 28 4XY 0.00000 -0.00005 -0.00002 -0.00002 -0.00002 29 4XZ -0.00004 -0.00001 -0.00001 0.00005 -0.00002 30 4YZ 0.00000 -0.00001 -0.00002 0.00001 -0.00001 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00004 0.00000 0.00003 0.00000 0.00003 33 2PX 0.00005 0.00001 0.00000 0.00001 0.00003 34 2PY 0.00013 -0.00001 0.00014 0.00000 0.00009 35 2PZ -0.00001 0.00000 0.00002 0.00000 0.00000 36 3S 0.00030 -0.00016 0.00016 -0.00001 0.00015 37 3PX 0.00013 0.00010 0.00000 0.00001 0.00007 38 3PY 0.00058 -0.00020 0.00017 -0.00001 0.00013 39 3PZ -0.00021 -0.00011 0.00004 0.00002 0.00001 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY -0.00001 0.00000 0.00001 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00010 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00040 -0.00002 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 51 3S 0.00080 -0.00005 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 -0.00005 0.00000 0.00000 53 3PY 0.00116 -0.00010 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00585 -0.00102 0.00034 -0.00001 0.00097 62 2S 0.00496 -0.00177 0.00007 -0.00001 0.00020 63 6 H 1S 0.00000 0.00002 0.00001 0.00002 0.00000 64 2S -0.00004 0.00027 0.00003 0.00001 0.00003 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00001 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00003 0.00001 0.00000 0.00000 0.00000 69 9 C 1S -0.00003 -0.00001 -0.00002 -0.00001 -0.00008 70 2S 0.00075 0.00020 0.00030 0.00012 0.00138 71 2PX 0.00026 0.00014 0.00023 0.00027 0.00035 72 2PY -0.00092 0.00052 0.00022 0.00014 0.00131 73 2PZ 0.00152 -0.00052 0.00036 0.00002 0.00029 74 3S 0.00030 0.00053 0.00022 0.00004 0.00091 75 3PX 0.00011 0.00012 0.00023 0.00023 0.00009 76 3PY -0.00073 0.00074 0.00003 0.00001 0.00012 77 3PZ 0.00054 -0.00086 0.00010 0.00001 -0.00006 78 4XX -0.00005 0.00001 0.00000 0.00000 -0.00001 79 4YY 0.00008 -0.00010 0.00000 -0.00001 -0.00003 80 4ZZ -0.00004 0.00002 -0.00001 0.00000 -0.00001 81 4XY -0.00002 -0.00002 0.00000 -0.00001 0.00002 82 4XZ 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 83 4YZ -0.00009 0.00001 0.00001 0.00001 0.00004 84 10 H 1S -0.00001 0.00000 0.00002 0.00003 0.00000 85 2S -0.00026 -0.00007 0.00001 0.00013 -0.00005 86 11 H 1S -0.00001 0.00009 0.00000 0.00001 0.00004 87 2S -0.00028 0.00068 0.00002 0.00004 0.00001 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 0.00000 -0.00001 0.00000 0.00002 0.00001 94 3PX -0.00005 -0.00001 0.00001 0.00005 0.00001 95 3PY 0.00005 -0.00001 0.00001 -0.00002 0.00001 96 3PZ -0.00005 -0.00001 0.00000 0.00003 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00001 0.00000 0.00000 0.00005 0.00000 105 2PX -0.00002 0.00007 0.00001 0.00014 0.00001 106 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 107 2PZ -0.00002 0.00000 0.00001 0.00007 0.00001 108 3S -0.00026 0.00002 0.00001 0.00022 -0.00001 109 3PX -0.00037 0.00042 0.00001 0.00024 0.00003 110 3PY -0.00001 -0.00001 0.00002 0.00004 0.00000 111 3PZ -0.00028 0.00012 0.00003 0.00014 0.00000 112 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 -0.00001 0.00000 -0.00001 0.00000 124 3PX -0.00002 0.00000 0.00000 0.00001 0.00000 125 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 126 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00008 0.00000 0.00002 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05350 17 2S -0.01403 0.33137 18 2PX 0.00000 0.00000 0.37396 19 2PY 0.00000 0.00000 0.00000 0.41906 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37852 21 3S -0.03069 0.20794 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.08650 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07751 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.10543 25 4XX -0.00122 -0.00487 0.00000 0.00000 0.00000 26 4YY -0.00138 -0.00167 0.00000 0.00000 0.00000 27 4ZZ -0.00116 -0.00587 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00051 0.00000 -0.00268 0.00000 32 2S -0.00051 0.01028 0.00000 0.04097 0.00000 33 2PX 0.00000 0.00000 0.01044 0.00000 0.00000 34 2PY -0.00268 0.04097 0.00000 0.09966 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.01328 36 3S -0.00011 0.01191 0.00000 0.02891 0.00000 37 3PX 0.00000 0.00000 0.01693 0.00000 0.00000 38 3PY -0.00143 0.02198 0.00000 0.01817 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.02477 40 4XX 0.00000 -0.00050 0.00000 -0.00124 0.00000 41 4YY -0.00028 0.00379 0.00000 0.00251 0.00000 42 4ZZ 0.00000 -0.00048 0.00000 -0.00107 0.00000 43 4XY 0.00000 0.00000 0.00207 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00216 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00023 -0.00014 -0.00045 -0.00010 48 2PX 0.00000 -0.00020 0.00001 -0.00045 -0.00007 49 2PY 0.00000 -0.00046 -0.00027 -0.00043 -0.00015 50 2PZ 0.00000 -0.00005 0.00004 -0.00027 0.00001 51 3S 0.00010 -0.00270 -0.00178 0.00009 -0.00284 52 3PX 0.00006 -0.00163 0.00000 -0.00165 -0.00152 53 3PY 0.00008 -0.00202 0.00076 0.00288 -0.00306 54 3PZ 0.00001 -0.00027 -0.00024 -0.00151 -0.00016 55 4XX 0.00000 0.00000 -0.00002 -0.00001 0.00004 56 4YY 0.00000 0.00004 0.00005 0.00013 -0.00001 57 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 58 4XY 0.00000 0.00003 0.00000 0.00014 0.00002 59 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 60 4YZ 0.00000 0.00003 0.00003 0.00009 0.00000 61 5 H 1S 0.00000 -0.00014 -0.00020 -0.00026 -0.00010 62 2S 0.00013 -0.00188 -0.00198 -0.00394 -0.00125 63 6 H 1S -0.00209 0.03229 0.03353 0.03329 0.03206 64 2S -0.00126 0.01156 0.02102 0.02026 0.02052 65 7 H 1S 0.00000 -0.00014 -0.00006 -0.00049 -0.00004 66 2S 0.00017 -0.00239 -0.00094 -0.00739 -0.00098 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00016 0.00012 0.00049 -0.00006 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00015 -0.00009 -0.00005 -0.00036 71 2PX 0.00000 -0.00023 0.00000 -0.00002 -0.00047 72 2PY 0.00000 -0.00004 -0.00020 0.00000 -0.00003 73 2PZ 0.00000 -0.00032 -0.00051 -0.00012 -0.00008 74 3S 0.00016 -0.00284 -0.00245 -0.00208 -0.00111 75 3PX 0.00010 -0.00137 -0.00028 -0.00027 0.00011 76 3PY 0.00002 -0.00059 -0.00159 -0.00027 -0.00084 77 3PZ 0.00020 -0.00300 -0.00587 -0.00185 0.00235 78 4XX 0.00000 0.00002 0.00000 0.00000 0.00008 79 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 4ZZ 0.00000 0.00000 0.00008 -0.00001 -0.00003 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00005 82 4XZ 0.00000 0.00003 0.00002 -0.00001 0.00012 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00018 0.00002 -0.00001 0.00045 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 87 2S 0.00000 -0.00004 0.00010 0.00003 -0.00055 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 -0.00004 0.00000 -0.00001 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 93 3S 0.00000 -0.00004 -0.00043 -0.00010 -0.00012 94 3PX 0.00000 -0.00018 -0.00189 -0.00009 -0.00040 95 3PY 0.00000 0.00000 0.00025 0.00001 0.00009 96 3PZ 0.00000 -0.00002 -0.00037 -0.00004 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00003 0.00000 -0.00001 105 2PX 0.00000 -0.00003 -0.00007 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00028 -0.00139 0.00000 -0.00032 109 3PX 0.00007 -0.00075 -0.00011 0.00000 -0.00007 110 3PY 0.00000 0.00000 0.00000 0.00004 0.00000 111 3PZ 0.00000 -0.00013 -0.00036 0.00000 -0.00009 112 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00002 0.00000 0.00000 124 3PX 0.00000 0.00001 -0.00001 -0.00001 0.00000 125 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00004 -0.00002 0.00000 180 19 H 1S 0.00000 0.00000 -0.00002 0.00000 -0.00001 181 2S 0.00001 -0.00027 -0.00060 0.00000 0.00012 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.26432 22 3PX 0.00000 0.08668 23 3PY 0.00000 0.00000 0.05455 24 3PZ 0.00000 0.00000 0.00000 0.11049 25 4XX -0.00234 0.00000 0.00000 0.00000 0.00095 26 4YY -0.00098 0.00000 0.00000 0.00000 -0.00012 27 4ZZ -0.00365 0.00000 0.00000 0.00000 0.00008 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00011 0.00000 -0.00143 0.00000 0.00000 32 2S 0.01191 0.00000 0.02198 0.00000 -0.00050 33 2PX 0.00000 0.01693 0.00000 0.00000 0.00000 34 2PY 0.02891 0.00000 0.01817 0.00000 -0.00124 35 2PZ 0.00000 0.00000 0.00000 0.02477 0.00000 36 3S -0.00801 0.00000 0.00597 0.00000 -0.00166 37 3PX 0.00000 0.01839 0.00000 0.00000 0.00000 38 3PY 0.00597 0.00000 0.00220 0.00000 -0.00154 39 3PZ 0.00000 0.00000 0.00000 0.04207 0.00000 40 4XX -0.00166 0.00000 -0.00154 0.00000 0.00002 41 4YY 0.00355 0.00000 0.00086 0.00000 -0.00003 42 4ZZ -0.00106 0.00000 -0.00089 0.00000 0.00001 43 4XY 0.00000 0.00077 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00100 0.00000 46 4 C 1S 0.00005 -0.00004 0.00007 -0.00001 0.00000 47 2S -0.00233 -0.00014 -0.00249 -0.00013 0.00000 48 2PX 0.00232 0.00015 0.00083 0.00081 0.00001 49 2PY -0.00784 -0.00131 -0.00408 -0.00037 0.00000 50 2PZ 0.00025 0.00024 -0.00075 -0.00042 -0.00001 51 3S -0.00575 -0.00012 0.00124 -0.00479 -0.00005 52 3PX 0.00656 -0.00236 0.00290 -0.00073 0.00017 53 3PY -0.01062 0.00252 0.00037 -0.00477 0.00001 54 3PZ -0.00054 -0.00089 -0.00195 -0.00149 -0.00007 55 4XX 0.00015 -0.00016 -0.00009 0.00040 0.00000 56 4YY 0.00030 0.00013 0.00058 -0.00021 0.00000 57 4ZZ -0.00016 0.00010 -0.00020 -0.00011 0.00000 58 4XY 0.00016 0.00000 0.00017 0.00004 0.00000 59 4XZ -0.00001 0.00001 -0.00001 0.00002 0.00000 60 4YZ 0.00015 0.00007 0.00013 0.00001 0.00000 61 5 H 1S -0.00389 -0.00182 -0.00026 -0.00108 -0.00001 62 2S -0.01349 -0.00444 -0.00136 -0.00280 -0.00031 63 6 H 1S 0.04923 0.01231 0.01321 0.01384 -0.00001 64 2S 0.04172 0.00872 0.00979 0.01225 0.00063 65 7 H 1S -0.00377 0.00007 -0.00364 0.00007 0.00000 66 2S -0.01524 0.00047 -0.01304 -0.00051 0.00016 67 8 H 1S 0.00017 0.00003 0.00032 -0.00004 0.00000 68 2S 0.00219 0.00082 0.00324 -0.00068 0.00000 69 9 C 1S 0.00013 0.00006 0.00001 0.00017 0.00000 70 2S -0.00244 -0.00021 -0.00010 -0.00321 0.00001 71 2PX -0.00250 0.00016 0.00039 -0.00314 0.00000 72 2PY 0.00149 0.00009 -0.00117 0.00068 0.00001 73 2PZ -0.00394 -0.00257 0.00017 -0.00035 0.00004 74 3S -0.00750 -0.00378 -0.00273 -0.00073 0.00015 75 3PX -0.00397 -0.00008 0.00026 -0.00099 -0.00002 76 3PY 0.00333 -0.00032 -0.00335 0.00065 0.00000 77 3PZ -0.00673 -0.00957 -0.00115 0.00369 0.00021 78 4XX 0.00033 -0.00001 -0.00005 0.00056 0.00000 79 4YY -0.00014 -0.00014 0.00003 -0.00015 0.00000 80 4ZZ -0.00002 0.00041 -0.00003 -0.00025 0.00000 81 4XY 0.00001 -0.00004 0.00001 0.00010 0.00000 82 4XZ 0.00008 -0.00001 -0.00003 0.00022 0.00000 83 4YZ 0.00008 0.00009 -0.00004 -0.00002 0.00000 84 10 H 1S 0.00013 0.00002 -0.00003 0.00021 0.00000 85 2S 0.00188 -0.00029 -0.00020 0.00284 -0.00001 86 11 H 1S 0.00003 0.00027 0.00002 -0.00120 0.00000 87 2S 0.00084 0.00045 0.00005 -0.00180 0.00000 88 12 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 89 2S 0.00002 -0.00036 -0.00002 -0.00008 0.00000 90 2PX -0.00025 -0.00221 -0.00035 -0.00048 0.00000 91 2PY -0.00008 -0.00004 -0.00002 0.00006 0.00000 92 2PZ -0.00003 -0.00037 -0.00002 0.00013 0.00000 93 3S -0.00014 -0.00280 -0.00053 -0.00076 0.00000 94 3PX -0.00120 -0.00823 -0.00106 -0.00194 -0.00002 95 3PY -0.00063 0.00085 -0.00001 0.00045 -0.00001 96 3PZ -0.00030 -0.00209 -0.00026 0.00149 -0.00001 97 4XX 0.00000 0.00008 0.00000 0.00002 0.00000 98 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 99 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 100 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 101 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S -0.00001 0.00003 0.00000 0.00001 0.00000 104 2S -0.00006 -0.00113 0.00000 -0.00020 0.00000 105 2PX 0.00051 -0.00031 0.00000 -0.00033 0.00001 106 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 107 2PZ 0.00014 -0.00002 0.00000 0.00008 0.00000 108 3S 0.00119 -0.00570 0.00000 -0.00170 0.00003 109 3PX 0.00232 0.00027 -0.00001 -0.00090 0.00031 110 3PY 0.00000 0.00001 0.00024 0.00000 0.00000 111 3PZ 0.00085 -0.00022 0.00000 0.00057 0.00010 112 4XX 0.00001 0.00031 0.00000 0.00009 0.00000 113 4YY 0.00000 -0.00005 0.00000 -0.00001 0.00000 114 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00000 0.00005 0.00000 -0.00003 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 120 2PX 0.00002 -0.00004 0.00001 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00009 0.00011 0.00002 0.00000 0.00000 124 3PX 0.00020 -0.00010 0.00001 0.00001 0.00000 125 3PY -0.00001 0.00012 -0.00003 0.00000 0.00000 126 3PZ -0.00001 0.00000 0.00000 0.00013 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00007 0.00000 -0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 154 3PX -0.00001 0.00002 0.00000 -0.00001 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00003 0.00012 0.00005 0.00000 0.00000 169 3PX 0.00000 -0.00004 0.00005 0.00000 0.00000 170 3PY 0.00001 0.00012 0.00001 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 -0.00002 -0.00002 -0.00004 0.00000 179 2S 0.00000 0.00009 -0.00029 -0.00002 0.00001 180 19 H 1S -0.00004 -0.00052 -0.00006 -0.00040 0.00000 181 2S -0.00018 -0.00069 -0.00028 -0.00012 -0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00001 0.00002 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00003 0.00001 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00112 27 4ZZ -0.00004 0.00080 28 4XY 0.00000 0.00000 0.00112 29 4XZ 0.00000 0.00000 0.00000 0.00077 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00107 31 3 C 1S -0.00028 0.00000 0.00000 0.00000 0.00000 32 2S 0.00379 -0.00048 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00207 0.00000 0.00000 34 2PY 0.00251 -0.00107 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00216 36 3S 0.00355 -0.00106 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.00077 0.00000 0.00000 38 3PY 0.00086 -0.00089 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00100 40 4XX -0.00003 0.00001 0.00000 0.00000 0.00000 41 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 42 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00012 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00004 0.00000 0.00004 0.00000 0.00002 48 2PX 0.00005 -0.00001 0.00001 0.00000 0.00009 49 2PY 0.00008 0.00001 0.00009 0.00001 0.00004 50 2PZ 0.00003 0.00000 0.00008 0.00000 0.00000 51 3S 0.00038 0.00004 0.00026 0.00000 0.00005 52 3PX 0.00006 -0.00014 0.00000 0.00000 0.00024 53 3PY 0.00038 -0.00011 0.00016 -0.00002 0.00003 54 3PZ 0.00003 0.00006 0.00017 -0.00001 0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00004 0.00000 0.00003 -0.00001 0.00003 62 2S 0.00058 -0.00004 0.00005 -0.00008 0.00012 63 6 H 1S -0.00034 0.00021 0.00199 0.00152 0.00192 64 2S -0.00034 0.00095 0.00042 0.00024 0.00042 65 7 H 1S 0.00001 0.00000 0.00003 0.00000 0.00002 66 2S -0.00032 0.00018 0.00014 0.00001 0.00013 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00002 -0.00001 -0.00001 0.00000 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00002 0.00001 0.00002 0.00000 71 2PX -0.00001 0.00005 0.00001 0.00003 0.00001 72 2PY 0.00000 0.00002 0.00000 0.00003 0.00000 73 2PZ -0.00001 0.00004 0.00002 0.00009 0.00002 74 3S -0.00016 0.00034 0.00004 0.00013 0.00005 75 3PX -0.00009 0.00029 0.00001 0.00004 0.00003 76 3PY -0.00002 0.00011 -0.00006 0.00006 -0.00004 77 3PZ -0.00019 0.00030 0.00001 0.00015 0.00008 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 -0.00001 0.00000 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 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 0.00000 0.00000 -0.00002 0.00000 0.00000 94 3PX 0.00000 0.00001 0.00000 0.00001 0.00000 95 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 96 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00002 0.00001 0.00000 0.00001 0.00000 109 3PX -0.00006 -0.00013 0.00000 0.00006 0.00000 110 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 111 3PZ -0.00001 -0.00002 0.00000 -0.00001 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00001 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05350 32 2S -0.01403 0.33137 33 2PX 0.00000 0.00000 0.37396 34 2PY 0.00000 0.00000 0.00000 0.41906 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.37852 36 3S -0.03069 0.20794 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08650 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07751 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.10543 40 4XX -0.00122 -0.00487 0.00000 0.00000 0.00000 41 4YY -0.00138 -0.00167 0.00000 0.00000 0.00000 42 4ZZ -0.00116 -0.00587 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00049 -0.00161 -0.00029 -0.00069 47 2S -0.00045 0.01003 0.02420 0.00507 0.01081 48 2PX -0.00153 0.02457 0.01112 0.01117 0.04405 49 2PY -0.00024 0.00323 0.00781 -0.00073 0.00278 50 2PZ -0.00083 0.01296 0.04059 0.00541 -0.00034 51 3S -0.00050 0.01227 0.03049 0.00116 0.00463 52 3PX -0.00113 0.01519 -0.00002 0.00500 0.02362 53 3PY -0.00037 0.00423 0.00509 0.00400 -0.00033 54 3PZ -0.00046 0.00539 0.01899 0.00229 0.00303 55 4XX -0.00007 0.00120 -0.00106 0.00056 0.00226 56 4YY 0.00001 -0.00062 -0.00057 0.00003 -0.00051 57 4ZZ 0.00000 -0.00008 0.00026 0.00002 -0.00053 58 4XY -0.00005 0.00053 0.00043 0.00039 0.00076 59 4XZ -0.00013 0.00143 0.00111 0.00043 -0.00001 60 4YZ -0.00002 0.00030 0.00074 0.00022 0.00004 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00016 0.00012 0.00049 -0.00006 63 6 H 1S 0.00000 -0.00014 -0.00006 -0.00049 -0.00004 64 2S 0.00017 -0.00239 -0.00094 -0.00739 -0.00098 65 7 H 1S -0.00209 0.03229 0.03353 0.03329 0.03206 66 2S -0.00126 0.01156 0.02102 0.02026 0.02052 67 8 H 1S 0.00000 -0.00014 -0.00020 -0.00026 -0.00010 68 2S 0.00013 -0.00188 -0.00198 -0.00394 -0.00125 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00015 -0.00009 -0.00005 -0.00036 71 2PX 0.00000 -0.00023 0.00000 -0.00002 -0.00047 72 2PY 0.00000 -0.00004 -0.00020 0.00000 -0.00003 73 2PZ 0.00000 -0.00032 -0.00051 -0.00012 -0.00008 74 3S 0.00016 -0.00284 -0.00245 -0.00208 -0.00111 75 3PX 0.00010 -0.00137 -0.00028 -0.00027 0.00011 76 3PY 0.00002 -0.00059 -0.00159 -0.00027 -0.00084 77 3PZ 0.00020 -0.00300 -0.00587 -0.00185 0.00235 78 4XX 0.00000 0.00002 0.00000 0.00000 0.00008 79 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 4ZZ 0.00000 0.00000 0.00008 -0.00001 -0.00003 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00005 82 4XZ 0.00000 0.00003 0.00002 -0.00001 0.00012 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00018 0.00002 -0.00001 0.00045 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 87 2S 0.00000 -0.00004 0.00010 0.00003 -0.00055 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00003 0.00000 -0.00001 90 2PX 0.00000 -0.00003 -0.00007 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 0.00000 -0.00028 -0.00139 0.00000 -0.00032 94 3PX 0.00007 -0.00075 -0.00011 0.00000 -0.00007 95 3PY 0.00000 0.00000 0.00000 0.00004 0.00000 96 3PZ 0.00000 -0.00013 -0.00036 0.00000 -0.00009 97 4XX 0.00000 0.00000 0.00002 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 108 3S 0.00000 -0.00004 -0.00043 -0.00010 -0.00012 109 3PX 0.00000 -0.00018 -0.00189 -0.00009 -0.00040 110 3PY 0.00000 0.00000 0.00025 0.00001 0.00009 111 3PZ 0.00000 -0.00002 -0.00037 -0.00004 0.00020 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 0.00002 0.00000 0.00000 169 3PX 0.00000 0.00001 -0.00001 -0.00001 0.00000 170 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 -0.00002 0.00000 -0.00001 179 2S 0.00001 -0.00027 -0.00060 0.00000 0.00012 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00004 -0.00002 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.26432 37 3PX 0.00000 0.08668 38 3PY 0.00000 0.00000 0.05455 39 3PZ 0.00000 0.00000 0.00000 0.11049 40 4XX -0.00234 0.00000 0.00000 0.00000 0.00095 41 4YY -0.00098 0.00000 0.00000 0.00000 -0.00012 42 4ZZ -0.00365 0.00000 0.00000 0.00000 0.00008 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00086 -0.00057 -0.00027 0.00043 -0.00006 47 2S 0.00257 0.01205 0.00199 0.00072 0.00108 48 2PX 0.01025 -0.00048 0.00775 0.01847 -0.00085 49 2PY 0.00561 0.00358 0.00381 0.00062 0.00062 50 2PZ 0.00959 0.01834 0.00299 0.00380 0.00157 51 3S -0.01656 0.02074 -0.00059 -0.01150 0.00173 52 3PX -0.00450 0.00734 0.00626 0.01675 -0.00119 53 3PY 0.00367 0.00310 0.00588 -0.00171 0.00018 54 3PZ 0.00515 0.01573 0.00141 0.01117 0.00145 55 4XX 0.00227 -0.00134 0.00047 0.00229 -0.00004 56 4YY -0.00248 -0.00055 -0.00021 -0.00075 -0.00003 57 4ZZ 0.00087 0.00130 -0.00016 -0.00091 0.00004 58 4XY 0.00011 0.00000 0.00011 0.00009 -0.00004 59 4XZ 0.00045 0.00003 0.00008 0.00008 0.00000 60 4YZ 0.00002 0.00008 0.00001 0.00002 -0.00002 61 5 H 1S 0.00017 0.00003 0.00032 -0.00004 0.00000 62 2S 0.00219 0.00082 0.00324 -0.00068 0.00000 63 6 H 1S -0.00377 0.00007 -0.00364 0.00007 0.00000 64 2S -0.01524 0.00047 -0.01304 -0.00051 0.00016 65 7 H 1S 0.04923 0.01231 0.01321 0.01384 -0.00001 66 2S 0.04172 0.00872 0.00979 0.01225 0.00063 67 8 H 1S -0.00389 -0.00182 -0.00026 -0.00108 -0.00001 68 2S -0.01349 -0.00444 -0.00136 -0.00280 -0.00031 69 9 C 1S 0.00013 0.00006 0.00001 0.00017 0.00000 70 2S -0.00244 -0.00021 -0.00010 -0.00321 0.00001 71 2PX -0.00250 0.00016 0.00039 -0.00314 0.00000 72 2PY 0.00149 0.00009 -0.00117 0.00068 0.00001 73 2PZ -0.00394 -0.00257 0.00017 -0.00035 0.00004 74 3S -0.00750 -0.00378 -0.00273 -0.00073 0.00015 75 3PX -0.00397 -0.00008 0.00026 -0.00099 -0.00002 76 3PY 0.00333 -0.00032 -0.00335 0.00065 0.00000 77 3PZ -0.00673 -0.00957 -0.00115 0.00369 0.00021 78 4XX 0.00033 -0.00001 -0.00005 0.00056 0.00000 79 4YY -0.00014 -0.00014 0.00003 -0.00015 0.00000 80 4ZZ -0.00002 0.00041 -0.00003 -0.00025 0.00000 81 4XY 0.00001 -0.00004 0.00001 0.00010 0.00000 82 4XZ 0.00008 -0.00001 -0.00003 0.00022 0.00000 83 4YZ 0.00008 0.00009 -0.00004 -0.00002 0.00000 84 10 H 1S 0.00013 0.00002 -0.00003 0.00021 0.00000 85 2S 0.00188 -0.00029 -0.00020 0.00284 -0.00001 86 11 H 1S 0.00003 0.00027 0.00002 -0.00120 0.00000 87 2S 0.00084 0.00045 0.00005 -0.00180 0.00000 88 12 C 1S -0.00001 0.00003 0.00000 0.00001 0.00000 89 2S -0.00006 -0.00113 0.00000 -0.00020 0.00000 90 2PX 0.00051 -0.00031 0.00000 -0.00033 0.00001 91 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 92 2PZ 0.00014 -0.00002 0.00000 0.00008 0.00000 93 3S 0.00119 -0.00571 0.00000 -0.00170 0.00003 94 3PX 0.00232 0.00027 -0.00001 -0.00090 0.00031 95 3PY 0.00000 0.00001 0.00024 0.00000 0.00000 96 3PZ 0.00085 -0.00022 0.00000 0.00057 0.00010 97 4XX 0.00001 0.00031 0.00000 0.00009 0.00000 98 4YY 0.00000 -0.00005 0.00000 -0.00001 0.00000 99 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 101 4XZ 0.00000 0.00005 0.00000 -0.00003 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00002 -0.00036 -0.00002 -0.00008 0.00000 105 2PX -0.00025 -0.00221 -0.00035 -0.00048 0.00000 106 2PY -0.00008 -0.00004 -0.00002 0.00006 0.00000 107 2PZ -0.00003 -0.00037 -0.00002 0.00013 0.00000 108 3S -0.00014 -0.00280 -0.00053 -0.00076 0.00000 109 3PX -0.00120 -0.00823 -0.00106 -0.00194 -0.00002 110 3PY -0.00063 0.00085 -0.00001 0.00045 -0.00001 111 3PZ -0.00030 -0.00209 -0.00026 0.00149 -0.00001 112 4XX 0.00000 0.00008 0.00000 0.00002 0.00000 113 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 115 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 116 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00003 0.00012 0.00005 0.00000 0.00000 124 3PX 0.00000 -0.00004 0.00005 0.00000 0.00000 125 3PY 0.00001 0.00012 0.00001 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 139 3PX -0.00001 0.00002 0.00000 -0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00007 0.00000 -0.00001 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 165 2PX 0.00002 -0.00004 0.00001 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00009 0.00011 0.00002 0.00000 0.00000 169 3PX 0.00020 -0.00010 0.00001 0.00001 0.00000 170 3PY -0.00001 0.00012 -0.00003 0.00000 0.00000 171 3PZ -0.00001 0.00000 0.00000 0.00013 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00004 -0.00052 -0.00006 -0.00040 0.00000 179 2S -0.00018 -0.00069 -0.00028 -0.00012 -0.00002 180 19 H 1S 0.00002 -0.00002 -0.00002 -0.00004 0.00000 181 2S 0.00000 0.00009 -0.00029 -0.00002 0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00001 0.00002 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00003 0.00001 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00112 42 4ZZ -0.00004 0.00080 43 4XY 0.00000 0.00000 0.00112 44 4XZ 0.00000 0.00000 0.00000 0.00077 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00107 46 4 C 1S 0.00001 -0.00001 -0.00005 -0.00012 -0.00003 47 2S -0.00059 0.00013 0.00055 0.00128 0.00031 48 2PX -0.00079 0.00052 0.00037 0.00088 0.00067 49 2PY 0.00004 0.00018 0.00030 0.00075 0.00020 50 2PZ -0.00050 -0.00045 0.00061 -0.00004 0.00003 51 3S -0.00122 -0.00018 0.00033 0.00037 0.00025 52 3PX -0.00066 0.00120 0.00001 0.00002 0.00020 53 3PY -0.00025 -0.00003 0.00020 0.00008 -0.00003 54 3PZ -0.00054 -0.00077 0.00011 0.00004 0.00001 55 4XX -0.00002 -0.00001 0.00001 0.00001 -0.00006 56 4YY 0.00003 0.00001 0.00000 -0.00004 0.00000 57 4ZZ 0.00000 -0.00001 -0.00005 -0.00001 -0.00001 58 4XY 0.00000 -0.00003 -0.00002 -0.00001 -0.00002 59 4XZ -0.00003 -0.00001 -0.00002 0.00005 0.00001 60 4YZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00002 -0.00001 -0.00001 0.00000 0.00000 63 6 H 1S 0.00001 0.00000 0.00003 0.00000 0.00002 64 2S -0.00032 0.00018 0.00014 0.00001 0.00013 65 7 H 1S -0.00034 0.00021 0.00199 0.00152 0.00192 66 2S -0.00034 0.00095 0.00042 0.00024 0.00042 67 8 H 1S 0.00004 0.00000 0.00003 -0.00001 0.00003 68 2S 0.00058 -0.00004 0.00005 -0.00008 0.00012 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00002 0.00001 0.00002 0.00000 71 2PX -0.00001 0.00005 0.00001 0.00003 0.00001 72 2PY 0.00000 0.00002 0.00000 0.00003 0.00000 73 2PZ -0.00001 0.00004 0.00002 0.00009 0.00002 74 3S -0.00016 0.00034 0.00004 0.00013 0.00005 75 3PX -0.00009 0.00029 0.00001 0.00004 0.00003 76 3PY -0.00002 0.00011 -0.00006 0.00006 -0.00004 77 3PZ -0.00019 0.00030 0.00001 0.00015 0.00008 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 -0.00001 0.00000 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 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 -0.00002 0.00001 0.00000 0.00001 0.00000 94 3PX -0.00006 -0.00013 0.00000 0.00006 0.00000 95 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 96 3PZ -0.00001 -0.00002 0.00000 -0.00001 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 3PX 0.00000 0.00001 0.00000 0.00001 0.00000 110 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 -0.00001 0.00001 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05588 47 2S -0.01390 0.33136 48 2PX 0.00000 0.00000 0.36493 49 2PY 0.00000 0.00000 0.00000 0.42724 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.35262 51 3S -0.03805 0.25401 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10894 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07727 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09448 55 4XX -0.00095 -0.00812 0.00000 0.00000 0.00000 56 4YY -0.00152 0.00216 0.00000 0.00000 0.00000 57 4ZZ -0.00101 -0.00708 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00017 0.00002 0.00049 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00001 0.00018 0.00028 0.00020 0.00010 65 7 H 1S 0.00000 -0.00014 -0.00035 0.00000 -0.00022 66 2S 0.00020 -0.00277 -0.00599 -0.00015 -0.00349 67 8 H 1S -0.00213 0.03297 0.00305 0.09119 0.00516 68 2S -0.00137 0.01288 0.00078 0.05326 0.00338 69 9 C 1S 0.00000 -0.00020 -0.00011 -0.00077 -0.00046 70 2S -0.00020 0.00539 0.00244 0.01452 0.00889 71 2PX -0.00008 0.00134 0.00028 0.00328 0.00315 72 2PY -0.00086 0.01753 0.00568 0.02276 0.02640 73 2PZ -0.00053 0.01024 0.00412 0.02073 0.00377 74 3S 0.00024 0.00296 0.00143 0.01982 0.00991 75 3PX -0.00002 0.00076 0.00294 0.00168 0.00193 76 3PY -0.00071 0.01147 0.00407 0.00400 0.01756 77 3PZ -0.00049 0.00732 0.00133 0.01122 -0.00216 78 4XX 0.00000 -0.00028 0.00003 -0.00033 -0.00029 79 4YY -0.00005 0.00098 0.00037 -0.00063 0.00108 80 4ZZ 0.00000 -0.00001 -0.00006 0.00041 -0.00028 81 4XY -0.00002 0.00028 0.00046 0.00031 0.00054 82 4XZ -0.00001 0.00019 0.00016 0.00037 -0.00002 83 4YZ -0.00008 0.00144 0.00048 0.00153 0.00006 84 10 H 1S 0.00000 -0.00009 -0.00012 -0.00010 -0.00019 85 2S 0.00013 -0.00182 -0.00308 -0.00138 -0.00190 86 11 H 1S 0.00000 -0.00019 0.00004 -0.00016 -0.00005 87 2S 0.00020 -0.00344 0.00020 -0.00222 -0.00269 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00015 0.00009 -0.00001 0.00012 90 2PX 0.00000 0.00011 0.00195 0.00010 0.00165 91 2PY 0.00000 -0.00001 0.00012 -0.00003 0.00009 92 2PZ 0.00000 0.00016 0.00183 0.00006 0.00130 93 3S 0.00014 0.00024 0.00128 0.00037 -0.00018 94 3PX 0.00005 -0.00060 0.00479 0.00029 0.00881 95 3PY 0.00003 -0.00054 -0.00010 0.00052 0.00047 96 3PZ 0.00002 0.00112 0.00941 0.00039 0.00292 97 4XX 0.00000 0.00002 0.00001 0.00001 0.00007 98 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 99 4ZZ 0.00000 0.00000 0.00006 0.00001 -0.00001 100 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 101 4XZ 0.00000 0.00005 0.00011 0.00001 0.00005 102 4YZ 0.00000 0.00001 0.00002 0.00000 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 105 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 106 2PY 0.00000 0.00000 -0.00002 -0.00001 -0.00002 107 2PZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 108 3S 0.00001 -0.00051 -0.00037 -0.00069 0.00024 109 3PX 0.00003 -0.00077 -0.00034 -0.00060 -0.00060 110 3PY 0.00001 -0.00037 -0.00021 -0.00032 -0.00004 111 3PZ 0.00002 -0.00074 -0.00099 -0.00049 -0.00008 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00002 0.00001 0.00000 124 3PX 0.00000 0.00000 0.00002 0.00001 -0.00001 125 3PY 0.00000 0.00002 0.00001 0.00000 -0.00001 126 3PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 140 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00001 0.00004 0.00000 0.00000 154 3PX 0.00000 0.00003 0.00001 0.00001 0.00000 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 165 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00001 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 168 3S 0.00001 -0.00019 -0.00015 0.00002 0.00006 169 3PX 0.00001 -0.00059 -0.00010 -0.00004 0.00011 170 3PY 0.00000 -0.00007 -0.00020 -0.00002 0.00004 171 3PZ 0.00001 -0.00009 0.00015 -0.00001 -0.00001 172 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00005 179 2S 0.00002 -0.00037 0.00007 -0.00001 -0.00127 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 0.00002 0.00003 0.00006 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 -0.00003 0.00000 0.00000 192 3PX 0.00000 -0.00002 -0.00015 -0.00002 -0.00003 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.34826 52 3PX 0.00000 0.12345 53 3PY 0.00000 0.00000 0.05500 54 3PZ 0.00000 0.00000 0.00000 0.08841 55 4XX -0.00815 0.00000 0.00000 0.00000 0.00154 56 4YY 0.00396 0.00000 0.00000 0.00000 -0.00027 57 4ZZ -0.00504 0.00000 0.00000 0.00000 0.00007 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00012 0.00001 0.00015 0.00001 0.00000 62 2S 0.00188 0.00017 0.00224 0.00001 0.00000 63 6 H 1S 0.00014 0.00016 0.00003 0.00006 0.00000 64 2S 0.00191 0.00198 0.00067 0.00051 0.00000 65 7 H 1S -0.00359 -0.00280 0.00013 -0.00131 0.00002 66 2S -0.01410 -0.01157 0.00026 -0.00395 0.00002 67 8 H 1S 0.05175 0.00081 0.03928 0.00303 -0.00111 68 2S 0.03044 -0.00109 0.03043 0.00352 -0.00199 69 9 C 1S -0.00006 -0.00003 -0.00087 -0.00018 0.00000 70 2S 0.00588 0.00106 0.01086 0.00390 -0.00033 71 2PX 0.00168 0.00054 0.00098 0.00120 0.00003 72 2PY 0.01304 0.00336 0.00227 0.01506 -0.00033 73 2PZ 0.01279 0.00172 0.00916 -0.00138 -0.00039 74 3S -0.01243 -0.00060 0.01068 0.00366 -0.00030 75 3PX -0.00008 0.00318 0.00006 0.00122 -0.00016 76 3PY 0.00258 0.00289 -0.00194 0.01319 -0.00044 77 3PZ 0.00530 0.00031 0.00324 -0.00440 0.00019 78 4XX -0.00141 -0.00015 -0.00062 -0.00026 0.00002 79 4YY 0.00220 0.00022 -0.00030 0.00082 -0.00004 80 4ZZ -0.00001 0.00002 0.00039 -0.00046 -0.00001 81 4XY 0.00012 0.00059 0.00003 0.00019 0.00000 82 4XZ 0.00004 0.00009 0.00005 0.00000 0.00000 83 4YZ 0.00071 0.00020 0.00007 0.00001 -0.00003 84 10 H 1S -0.00227 -0.00092 -0.00071 -0.00109 0.00003 85 2S -0.01044 -0.00477 -0.00363 -0.00119 0.00052 86 11 H 1S -0.00237 0.00022 -0.00101 -0.00139 0.00000 87 2S -0.00857 0.00026 -0.00372 -0.00529 0.00004 88 12 C 1S 0.00017 0.00004 0.00003 0.00007 0.00000 89 2S -0.00093 -0.00075 0.00011 -0.00018 0.00003 90 2PX -0.00022 0.00504 -0.00031 0.00687 0.00003 91 2PY -0.00024 0.00061 0.00084 0.00028 0.00001 92 2PZ 0.00109 0.00833 -0.00021 0.00254 0.00008 93 3S -0.00098 0.00068 -0.00068 -0.00350 0.00036 94 3PX -0.00125 0.00579 -0.00056 0.01481 0.00028 95 3PY -0.00129 0.00022 0.00207 0.00071 0.00009 96 3PZ 0.00147 0.01786 -0.00080 0.00177 0.00040 97 4XX 0.00025 0.00018 0.00002 0.00031 0.00000 98 4YY -0.00006 -0.00015 0.00000 -0.00009 0.00000 99 4ZZ -0.00008 0.00031 -0.00002 0.00002 0.00000 100 4XY 0.00002 0.00005 0.00001 0.00004 0.00000 101 4XZ 0.00020 0.00020 0.00002 0.00008 -0.00001 102 4YZ 0.00004 0.00010 0.00000 0.00002 0.00000 103 13 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 104 2S -0.00010 -0.00013 -0.00004 -0.00007 0.00000 105 2PX -0.00037 -0.00065 -0.00026 -0.00037 0.00000 106 2PY 0.00010 -0.00079 0.00053 -0.00040 0.00000 107 2PZ -0.00048 -0.00108 -0.00021 -0.00009 0.00000 108 3S -0.00254 -0.00112 -0.00153 0.00124 0.00006 109 3PX -0.00275 -0.00151 -0.00120 -0.00198 0.00010 110 3PY -0.00006 -0.00107 0.00088 0.00004 -0.00006 111 3PZ -0.00288 -0.00483 -0.00107 -0.00017 0.00013 112 4XX 0.00001 -0.00001 0.00002 -0.00001 0.00000 113 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 114 4ZZ 0.00001 -0.00001 -0.00002 -0.00001 0.00000 115 4XY -0.00001 0.00005 -0.00001 0.00007 0.00000 116 4XZ 0.00000 -0.00003 0.00002 -0.00001 0.00000 117 4YZ 0.00001 0.00009 -0.00001 0.00002 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00003 -0.00001 0.00001 0.00000 120 2PX -0.00002 0.00000 -0.00004 0.00001 0.00000 121 2PY 0.00000 0.00005 -0.00002 0.00000 0.00000 122 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 123 3S 0.00006 0.00023 0.00003 -0.00001 0.00000 124 3PX -0.00013 0.00004 -0.00006 -0.00001 0.00000 125 3PY 0.00008 0.00010 0.00004 -0.00003 0.00000 126 3PZ -0.00001 -0.00014 -0.00005 0.00004 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 -0.00002 -0.00001 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00002 -0.00009 -0.00006 0.00000 0.00000 139 3PX -0.00003 -0.00018 -0.00016 0.00000 0.00000 140 3PY 0.00000 -0.00005 -0.00002 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 -0.00001 0.00000 0.00000 0.00000 150 2PX -0.00003 -0.00004 -0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 3S -0.00006 0.00023 0.00006 -0.00001 0.00000 154 3PX -0.00023 -0.00025 -0.00003 0.00000 -0.00001 155 3PY -0.00003 -0.00006 0.00003 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00001 0.00003 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00057 -0.00001 -0.00011 0.00000 165 2PX -0.00070 0.00093 -0.00001 -0.00009 0.00001 166 2PY -0.00004 -0.00010 -0.00002 0.00000 0.00000 167 2PZ -0.00023 0.00060 0.00000 -0.00008 0.00000 168 3S 0.00028 -0.00030 -0.00001 0.00009 0.00001 169 3PX -0.00303 0.00162 -0.00016 0.00015 0.00010 170 3PY -0.00007 -0.00036 0.00034 0.00005 0.00000 171 3PZ -0.00102 0.00123 0.00002 0.00000 0.00004 172 4XX 0.00002 0.00025 0.00001 0.00008 0.00000 173 4YY 0.00000 -0.00004 0.00000 -0.00001 0.00000 174 4ZZ -0.00001 -0.00009 0.00000 -0.00001 0.00000 175 4XY 0.00001 0.00001 -0.00002 0.00000 0.00000 176 4XZ 0.00001 0.00005 0.00000 -0.00001 0.00000 177 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00070 -0.00076 0.00002 -0.00081 0.00000 179 2S -0.00328 -0.00124 0.00003 -0.00183 -0.00003 180 19 H 1S 0.00002 0.00005 -0.00003 0.00003 0.00000 181 2S 0.00030 0.00037 -0.00021 0.00030 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00001 -0.00002 0.00000 0.00001 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00004 -0.00003 0.00000 0.00000 188 2PX -0.00010 -0.00011 -0.00015 0.00000 0.00000 189 2PY 0.00003 0.00001 0.00000 -0.00001 0.00000 190 2PZ -0.00002 -0.00005 0.00000 0.00001 0.00000 191 3S -0.00029 -0.00002 -0.00027 0.00008 0.00000 192 3PX -0.00099 -0.00094 -0.00112 -0.00001 0.00000 193 3PY 0.00027 -0.00001 0.00001 -0.00002 0.00000 194 3PZ -0.00017 -0.00048 -0.00003 0.00021 0.00000 195 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 196 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 208 3PY 0.00000 -0.00001 0.00001 0.00000 0.00000 209 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00174 57 4ZZ -0.00014 0.00111 58 4XY 0.00000 0.00000 0.00062 59 4XZ 0.00000 0.00000 0.00000 0.00068 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00003 0.00001 0.00000 0.00000 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00001 65 7 H 1S 0.00000 0.00002 0.00001 0.00002 0.00000 66 2S -0.00004 0.00027 0.00003 0.00001 0.00003 67 8 H 1S 0.00585 -0.00102 0.00034 -0.00001 0.00097 68 2S 0.00496 -0.00177 0.00007 -0.00001 0.00020 69 9 C 1S -0.00003 -0.00001 -0.00002 -0.00001 -0.00008 70 2S 0.00075 0.00020 0.00030 0.00012 0.00138 71 2PX 0.00026 0.00014 0.00023 0.00027 0.00035 72 2PY -0.00092 0.00052 0.00022 0.00014 0.00131 73 2PZ 0.00152 -0.00052 0.00036 0.00002 0.00029 74 3S 0.00030 0.00053 0.00022 0.00004 0.00091 75 3PX 0.00011 0.00012 0.00023 0.00023 0.00009 76 3PY -0.00073 0.00074 0.00003 0.00001 0.00012 77 3PZ 0.00054 -0.00086 0.00010 0.00001 -0.00006 78 4XX -0.00005 0.00001 0.00000 0.00000 -0.00001 79 4YY 0.00008 -0.00010 0.00000 -0.00001 -0.00003 80 4ZZ -0.00004 0.00002 -0.00001 0.00000 -0.00001 81 4XY -0.00002 -0.00002 0.00000 -0.00001 0.00002 82 4XZ 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 83 4YZ -0.00009 0.00001 0.00001 0.00001 0.00004 84 10 H 1S -0.00001 0.00000 0.00002 0.00003 0.00000 85 2S -0.00026 -0.00007 0.00001 0.00013 -0.00005 86 11 H 1S -0.00001 0.00009 0.00000 0.00001 0.00004 87 2S -0.00028 0.00068 0.00002 0.00004 0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S -0.00001 0.00000 0.00000 0.00005 0.00000 90 2PX -0.00002 0.00007 0.00001 0.00014 0.00001 91 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 92 2PZ -0.00002 0.00000 0.00001 0.00007 0.00001 93 3S -0.00026 0.00002 0.00001 0.00022 -0.00001 94 3PX -0.00037 0.00042 0.00001 0.00024 0.00003 95 3PY -0.00001 -0.00001 0.00002 0.00004 0.00000 96 3PZ -0.00028 0.00012 0.00003 0.00014 0.00000 97 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00001 0.00000 0.00002 0.00001 109 3PX -0.00005 -0.00001 0.00001 0.00005 0.00001 110 3PY 0.00005 -0.00001 0.00001 -0.00002 0.00001 111 3PZ -0.00005 -0.00001 0.00000 0.00003 0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00001 -0.00001 0.00000 -0.00001 0.00000 169 3PX -0.00002 0.00000 0.00000 0.00001 0.00000 170 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 171 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00008 0.00000 0.00002 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21329 62 2S 0.10023 0.13687 63 6 H 1S 0.00000 -0.00041 0.21483 64 2S -0.00043 -0.00263 0.10767 0.14590 65 7 H 1S 0.00000 0.00000 0.00000 -0.00039 0.21483 66 2S 0.00000 -0.00010 -0.00039 -0.00245 0.10767 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00012 0.00000 -0.00010 -0.00041 69 9 C 1S 0.00000 0.00009 0.00000 0.00000 0.00000 70 2S -0.00008 -0.00149 0.00000 0.00012 0.00000 71 2PX 0.00000 -0.00004 0.00000 0.00012 0.00000 72 2PY -0.00037 -0.00661 0.00000 0.00014 0.00000 73 2PZ -0.00003 -0.00044 0.00000 0.00025 0.00000 74 3S -0.00282 -0.00949 0.00012 0.00181 0.00012 75 3PX -0.00007 -0.00016 0.00002 0.00054 0.00002 76 3PY -0.00375 -0.01213 0.00010 0.00122 0.00010 77 3PZ -0.00069 -0.00226 0.00016 0.00183 0.00016 78 4XX 0.00000 -0.00004 0.00000 -0.00001 0.00000 79 4YY 0.00005 0.00041 0.00000 0.00000 0.00000 80 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 81 4XY 0.00000 -0.00001 0.00000 -0.00001 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ -0.00001 -0.00013 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 -0.00012 0.00000 0.00000 0.00000 85 2S -0.00015 -0.00084 0.00000 -0.00011 0.00000 86 11 H 1S 0.00000 -0.00004 0.00000 -0.00001 0.00000 87 2S -0.00003 -0.00036 0.00000 -0.00016 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00000 0.00000 90 2PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 91 2PY 0.00000 0.00008 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00001 0.00031 0.00000 -0.00006 0.00000 94 3PX 0.00000 0.00001 0.00000 -0.00009 -0.00007 95 3PY 0.00003 0.00096 0.00000 -0.00001 0.00000 96 3PZ -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00026 0.00000 -0.00001 0.00000 105 2PX -0.00001 -0.00062 0.00000 0.00006 0.00000 106 2PY -0.00001 -0.00070 0.00000 0.00000 0.00000 107 2PZ -0.00001 -0.00103 0.00000 0.00000 0.00000 108 3S -0.00039 -0.00544 0.00000 0.00000 0.00000 109 3PX -0.00058 -0.00309 -0.00007 -0.00020 0.00000 110 3PY -0.00006 -0.00042 0.00000 -0.00002 0.00000 111 3PZ -0.00054 -0.00520 0.00000 0.00000 0.00000 112 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 116 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 120 2PX -0.00001 -0.00012 0.00000 0.00000 0.00000 121 2PY 0.00000 -0.00004 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00009 0.00000 0.00000 0.00000 123 3S 0.00002 0.00016 0.00000 -0.00002 0.00000 124 3PX -0.00027 0.00098 0.00000 -0.00002 0.00000 125 3PY 0.00006 -0.00007 0.00000 0.00000 0.00000 126 3PZ -0.00008 0.00012 0.00000 -0.00001 0.00000 127 4XX 0.00000 -0.00005 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00001 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00023 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00007 0.00000 0.00000 0.00000 140 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 154 3PX 0.00000 -0.00003 0.00000 0.00000 0.00000 155 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00006 0.00000 -0.00003 0.00007 180 19 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 181 2S -0.00004 0.00045 0.00007 0.00091 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00009 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00056 0.00000 0.00000 0.00000 204 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 206 3S -0.00002 0.00069 0.00000 0.00000 0.00000 207 3PX -0.00003 0.00385 0.00000 0.00000 0.00000 208 3PY 0.00000 -0.00020 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00030 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 211 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.14590 67 8 H 1S -0.00043 0.21329 68 2S -0.00263 0.10023 0.13687 69 9 C 1S 0.00000 0.00000 0.00009 2.05183 70 2S 0.00012 -0.00008 -0.00149 -0.01202 0.31004 71 2PX 0.00012 0.00000 -0.00004 0.00000 0.00000 72 2PY 0.00014 -0.00037 -0.00661 0.00000 0.00000 73 2PZ 0.00025 -0.00003 -0.00044 0.00000 0.00000 74 3S 0.00181 -0.00282 -0.00949 -0.03490 0.23516 75 3PX 0.00054 -0.00007 -0.00016 0.00000 0.00000 76 3PY 0.00122 -0.00375 -0.01213 0.00000 0.00000 77 3PZ 0.00183 -0.00069 -0.00226 0.00000 0.00000 78 4XX -0.00001 0.00000 -0.00004 -0.00147 0.00060 79 4YY 0.00000 0.00005 0.00041 -0.00111 -0.00570 80 4ZZ 0.00000 0.00000 -0.00009 -0.00136 -0.00131 81 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 -0.00001 -0.00013 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00012 -0.00185 0.02936 85 2S -0.00011 -0.00015 -0.00084 -0.00055 0.00917 86 11 H 1S -0.00001 0.00000 -0.00004 -0.00160 0.02632 87 2S -0.00016 -0.00003 -0.00036 -0.00027 0.00590 88 12 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 89 2S -0.00001 0.00000 -0.00026 0.00000 -0.00001 90 2PX 0.00006 -0.00001 -0.00062 0.00000 -0.00002 91 2PY 0.00000 -0.00001 -0.00070 0.00000 0.00000 92 2PZ 0.00000 -0.00001 -0.00103 0.00000 -0.00005 93 3S 0.00000 -0.00039 -0.00545 0.00002 -0.00057 94 3PX -0.00020 -0.00058 -0.00309 0.00003 -0.00079 95 3PY -0.00002 -0.00006 -0.00042 0.00000 0.00013 96 3PZ 0.00000 -0.00054 -0.00520 0.00007 -0.00137 97 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00002 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 101 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 105 2PX -0.00002 0.00000 -0.00001 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00008 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 108 3S -0.00006 0.00001 0.00031 0.00002 -0.00057 109 3PX -0.00009 0.00000 0.00001 0.00003 -0.00079 110 3PY -0.00001 0.00003 0.00096 0.00000 0.00013 111 3PZ 0.00000 -0.00001 0.00001 0.00007 -0.00137 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00001 124 3PX 0.00000 0.00000 0.00001 0.00000 -0.00002 125 3PY 0.00000 0.00000 0.00002 0.00000 -0.00004 126 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 -0.00003 0.00000 -0.00002 140 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00023 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00007 0.00000 -0.00002 155 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00016 0.00000 0.00000 165 2PX 0.00000 -0.00001 -0.00012 0.00000 0.00000 166 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00009 0.00000 0.00000 168 3S -0.00002 0.00002 0.00016 0.00000 0.00001 169 3PX -0.00002 -0.00027 0.00098 0.00000 -0.00002 170 3PY 0.00000 0.00006 -0.00007 0.00000 -0.00004 171 3PZ -0.00001 -0.00008 0.00012 0.00000 -0.00007 172 4XX 0.00000 0.00000 -0.00005 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00004 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00003 0.00000 -0.00001 0.00000 0.00000 179 2S 0.00091 -0.00004 0.00045 0.00000 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00003 0.00000 -0.00006 0.00000 0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00009 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00056 0.00000 0.00000 189 2PY 0.00000 0.00000 -0.00003 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 191 3S 0.00000 -0.00002 0.00069 0.00000 0.00000 192 3PX 0.00000 -0.00003 0.00385 0.00000 0.00000 193 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00030 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 196 4YY 0.00000 0.00000 -0.00002 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PX 0.41673 72 2PY 0.00000 0.37652 73 2PZ 0.00000 0.00000 0.39894 74 3S 0.00000 0.00000 0.00000 0.31537 75 3PX 0.11090 0.00000 0.00000 0.00000 0.09623 76 3PY 0.00000 0.09914 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.09779 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 0.00184 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00501 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00068 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 0.08854 0.00000 0.01063 0.03944 0.05598 85 2S 0.05005 0.00000 0.00616 0.01396 0.04493 86 11 H 1S 0.03531 0.00000 0.05960 0.03438 0.02397 87 2S 0.02091 0.00000 0.03725 0.00677 0.02178 88 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 89 2S -0.00001 0.00000 -0.00003 -0.00045 -0.00013 90 2PX -0.00001 0.00001 -0.00005 -0.00026 0.00000 91 2PY 0.00000 0.00000 -0.00001 -0.00021 0.00023 92 2PZ -0.00003 -0.00001 -0.00011 -0.00080 0.00012 93 3S -0.00022 0.00041 -0.00091 -0.00191 -0.00068 94 3PX -0.00010 -0.00015 -0.00144 -0.00153 0.00001 95 3PY 0.00006 -0.00020 0.00024 -0.00015 0.00042 96 3PZ -0.00057 0.00034 -0.00161 -0.00247 -0.00027 97 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 99 4ZZ 0.00000 0.00000 0.00001 0.00005 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 104 2S -0.00001 0.00000 -0.00003 -0.00045 -0.00013 105 2PX -0.00001 0.00001 -0.00005 -0.00026 0.00000 106 2PY 0.00000 0.00000 -0.00001 -0.00021 0.00023 107 2PZ -0.00003 -0.00001 -0.00011 -0.00080 0.00012 108 3S -0.00022 0.00041 -0.00091 -0.00191 -0.00068 109 3PX -0.00010 -0.00015 -0.00144 -0.00153 0.00001 110 3PY 0.00006 -0.00020 0.00024 -0.00015 0.00042 111 3PZ -0.00057 0.00034 -0.00161 -0.00247 -0.00027 112 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 114 4ZZ 0.00000 0.00000 0.00001 0.00005 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00002 -0.00014 120 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00028 121 2PY 0.00000 0.00000 0.00000 0.00004 -0.00011 122 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00018 123 3S 0.00000 -0.00011 0.00000 0.00003 -0.00004 124 3PX -0.00002 -0.00011 -0.00001 0.00002 -0.00053 125 3PY -0.00011 -0.00008 -0.00011 -0.00026 -0.00024 126 3PZ -0.00006 0.00003 -0.00003 -0.00021 -0.00060 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 135 2PX 0.00000 0.00000 0.00000 -0.00008 -0.00040 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00011 138 3S 0.00000 0.00002 0.00001 0.00010 -0.00009 139 3PX -0.00019 0.00003 0.00004 -0.00061 -0.00192 140 3PY 0.00001 -0.00001 0.00000 -0.00001 0.00002 141 3PZ -0.00008 0.00000 0.00000 -0.00031 -0.00066 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 150 2PX 0.00000 0.00000 0.00000 -0.00008 -0.00040 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00011 153 3S 0.00000 0.00002 0.00001 0.00010 -0.00009 154 3PX -0.00019 0.00003 0.00004 -0.00061 -0.00192 155 3PY 0.00001 -0.00001 0.00000 -0.00001 0.00002 156 3PZ -0.00008 0.00000 0.00000 -0.00031 -0.00066 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00002 -0.00014 165 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00028 166 2PY 0.00000 0.00000 0.00000 0.00004 -0.00011 167 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00018 168 3S 0.00000 -0.00011 0.00000 0.00003 -0.00004 169 3PX -0.00002 -0.00011 -0.00001 0.00002 -0.00053 170 3PY -0.00011 -0.00008 -0.00011 -0.00026 -0.00024 171 3PZ -0.00006 0.00003 -0.00003 -0.00021 -0.00060 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 175 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00001 179 2S 0.00000 0.00003 0.00006 0.00041 -0.00010 180 19 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00001 181 2S 0.00000 0.00003 0.00006 0.00041 -0.00010 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00001 0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 -0.00002 -0.00004 192 3PX 0.00000 0.00000 0.00000 0.00006 -0.00004 193 3PY 0.00000 0.00000 0.00000 -0.00004 0.00004 194 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00001 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00002 -0.00004 207 3PX 0.00000 0.00000 0.00000 0.00006 -0.00004 208 3PY 0.00000 0.00000 0.00000 -0.00004 0.00004 209 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00001 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 3PY 0.08615 77 3PZ 0.00000 0.09298 78 4XX 0.00000 0.00000 0.00136 79 4YY 0.00000 0.00000 -0.00022 0.00136 80 4ZZ 0.00000 0.00000 -0.00001 -0.00005 0.00077 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 0.00591 0.00546 -0.00104 -0.00075 85 2S 0.00000 0.00289 0.00473 -0.00209 -0.00158 86 11 H 1S 0.00000 0.03885 0.00046 -0.00089 0.00218 87 2S 0.00000 0.03383 0.00040 -0.00194 0.00254 88 12 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 89 2S -0.00008 -0.00031 0.00000 0.00000 0.00000 90 2PX 0.00014 0.00048 0.00000 0.00000 0.00001 91 2PY -0.00002 -0.00026 0.00000 0.00000 0.00000 92 2PZ -0.00033 0.00038 0.00000 0.00000 0.00001 93 3S 0.00083 0.00015 0.00002 -0.00003 0.00003 94 3PX -0.00025 0.00024 0.00000 -0.00005 0.00012 95 3PY -0.00066 -0.00032 -0.00001 0.00000 -0.00002 96 3PZ 0.00018 0.00158 -0.00002 -0.00011 0.00019 97 4XX -0.00001 -0.00007 0.00000 0.00000 0.00000 98 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 99 4ZZ 0.00003 0.00014 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 102 4YZ -0.00001 0.00002 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 104 2S -0.00008 -0.00031 0.00000 0.00000 0.00000 105 2PX 0.00014 0.00048 0.00000 0.00000 0.00001 106 2PY -0.00002 -0.00026 0.00000 0.00000 0.00000 107 2PZ -0.00033 0.00038 0.00000 0.00000 0.00001 108 3S 0.00083 0.00015 0.00002 -0.00003 0.00003 109 3PX -0.00025 0.00024 0.00000 -0.00005 0.00012 110 3PY -0.00066 -0.00032 -0.00001 0.00000 -0.00002 111 3PZ 0.00018 0.00158 -0.00002 -0.00011 0.00019 112 4XX -0.00001 -0.00007 0.00000 0.00000 0.00000 113 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 114 4ZZ 0.00003 0.00014 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 117 4YZ -0.00001 0.00002 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00007 -0.00003 0.00000 0.00000 0.00000 120 2PX -0.00016 0.00005 0.00000 0.00000 0.00000 121 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00007 0.00004 0.00000 0.00000 0.00000 123 3S -0.00062 -0.00037 0.00000 0.00000 0.00000 124 3PX -0.00045 0.00012 0.00000 0.00000 0.00000 125 3PY -0.00012 -0.00058 0.00000 0.00000 0.00000 126 3PZ 0.00017 0.00006 0.00001 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00001 0.00001 0.00000 0.00000 0.00000 130 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00009 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 138 3S 0.00028 0.00007 0.00000 0.00000 0.00000 139 3PX 0.00024 0.00061 -0.00001 0.00000 0.00000 140 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 141 3PZ -0.00003 -0.00021 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00002 0.00009 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 3S 0.00028 0.00007 0.00000 0.00000 0.00000 154 3PX 0.00024 0.00061 -0.00001 0.00000 0.00000 155 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00003 -0.00021 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 -0.00003 0.00000 0.00000 0.00000 165 2PX -0.00016 0.00005 0.00000 0.00000 0.00000 166 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 2PZ 0.00007 0.00004 0.00000 0.00000 0.00000 168 3S -0.00062 -0.00037 0.00000 0.00000 0.00000 169 3PX -0.00045 0.00012 0.00000 0.00000 0.00000 170 3PY -0.00012 -0.00058 0.00000 0.00000 0.00000 171 3PZ 0.00017 0.00006 0.00001 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00001 0.00001 0.00000 0.00000 0.00000 175 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00003 0.00003 0.00000 0.00000 0.00000 179 2S 0.00043 0.00039 0.00000 0.00000 0.00000 180 19 H 1S 0.00003 0.00003 0.00000 0.00000 0.00000 181 2S 0.00043 0.00039 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00002 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 192 3PX 0.00008 -0.00005 0.00000 0.00000 0.00000 193 3PY -0.00003 -0.00001 0.00000 0.00000 0.00000 194 3PZ -0.00005 -0.00003 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 207 3PX 0.00008 -0.00005 0.00000 0.00000 0.00000 208 3PY -0.00003 -0.00001 0.00000 0.00000 0.00000 209 3PZ -0.00005 -0.00003 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00076 82 4XZ 0.00000 0.00164 83 4YZ 0.00000 0.00000 0.00111 84 10 H 1S 0.00000 0.00172 0.00000 0.21329 85 2S 0.00000 0.00039 0.00000 0.10061 0.13978 86 11 H 1S 0.00000 0.00404 0.00000 -0.00044 -0.00636 87 2S 0.00000 0.00090 0.00000 -0.00632 -0.01599 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 90 2PX 0.00000 0.00001 0.00000 0.00000 -0.00002 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00006 92 2PZ 0.00000 0.00002 0.00000 -0.00001 -0.00078 93 3S 0.00000 0.00005 0.00002 -0.00016 -0.00036 94 3PX 0.00001 0.00004 0.00003 -0.00005 -0.00014 95 3PY 0.00000 -0.00001 -0.00001 0.00004 -0.00010 96 3PZ 0.00005 0.00016 0.00007 -0.00068 -0.00240 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 105 2PX 0.00000 0.00001 0.00000 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00000 0.00000 -0.00006 107 2PZ 0.00000 0.00002 0.00000 -0.00001 -0.00078 108 3S 0.00000 0.00005 0.00002 -0.00016 -0.00036 109 3PX 0.00001 0.00004 0.00003 -0.00005 -0.00014 110 3PY 0.00000 -0.00001 -0.00001 0.00004 -0.00010 111 3PZ 0.00005 0.00016 0.00007 -0.00068 -0.00240 112 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00010 121 2PY 0.00000 0.00000 0.00000 0.00000 -0.00007 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00012 123 3S 0.00000 0.00000 0.00000 0.00000 -0.00040 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00032 125 3PY 0.00000 0.00000 0.00000 -0.00008 -0.00047 126 3PZ 0.00001 0.00000 0.00000 -0.00004 0.00056 127 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00022 135 2PX 0.00000 0.00000 0.00000 -0.00001 0.00099 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00074 138 3S 0.00000 0.00000 0.00000 0.00001 0.00010 139 3PX 0.00000 0.00000 0.00000 -0.00014 0.00417 140 3PY 0.00000 0.00000 0.00000 0.00001 -0.00003 141 3PZ 0.00000 0.00000 0.00000 -0.00013 0.00270 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 143 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 144 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00022 150 2PX 0.00000 0.00000 0.00000 -0.00001 0.00099 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00074 153 3S 0.00000 0.00000 0.00000 0.00001 0.00010 154 3PX 0.00000 0.00000 0.00000 -0.00014 0.00417 155 3PY 0.00000 0.00000 0.00000 0.00001 -0.00003 156 3PZ 0.00000 0.00000 0.00000 -0.00013 0.00270 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 158 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00010 166 2PY 0.00000 0.00000 0.00000 0.00000 -0.00007 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00012 168 3S 0.00000 0.00000 0.00000 0.00000 -0.00040 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00032 170 3PY 0.00000 0.00000 0.00000 -0.00008 -0.00047 171 3PZ 0.00001 0.00000 0.00000 -0.00004 0.00056 172 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00000 0.00000 0.00000 0.00000 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 181 2S 0.00000 0.00000 0.00000 0.00000 0.00016 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 193 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 208 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 209 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.20917 87 2S 0.10234 0.13898 88 12 C 1S 0.00000 0.00000 2.05570 89 2S 0.00000 0.00002 -0.01298 0.31847 90 2PX 0.00000 0.00007 0.00000 0.00000 0.36791 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00013 0.00000 0.00000 0.00000 93 3S 0.00001 0.00047 -0.04328 0.27774 0.00000 94 3PX 0.00004 0.00097 0.00000 0.00000 0.11493 95 3PY 0.00000 -0.00009 0.00000 0.00000 0.00000 96 3PZ 0.00006 0.00166 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00106 -0.00669 0.00000 98 4YY 0.00000 0.00000 -0.00130 -0.00140 0.00000 99 4ZZ 0.00000 0.00000 -0.00118 -0.00397 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 C 1S 0.00000 0.00000 0.00000 -0.00051 0.00000 104 2S 0.00000 0.00002 -0.00051 0.01094 0.00000 105 2PX 0.00000 0.00007 0.00000 0.00000 0.01207 106 2PY 0.00000 0.00000 -0.00252 0.03887 0.00000 107 2PZ 0.00000 0.00013 0.00000 0.00000 0.00000 108 3S 0.00001 0.00047 0.00178 -0.00336 0.00000 109 3PX 0.00004 0.00097 0.00000 0.00000 0.01766 110 3PY 0.00000 -0.00009 0.00038 0.00776 0.00000 111 3PZ 0.00006 0.00166 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 -0.00046 0.00000 113 4YY 0.00000 0.00000 -0.00024 0.00319 0.00000 114 4ZZ 0.00000 0.00000 0.00000 -0.00042 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00193 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00005 -0.00003 120 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00002 121 2PY 0.00000 0.00000 0.00000 -0.00014 -0.00001 122 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00002 123 3S 0.00000 -0.00002 -0.00002 -0.00055 -0.00023 124 3PX 0.00000 0.00001 0.00000 -0.00034 -0.00006 125 3PY 0.00000 0.00002 -0.00017 0.00142 0.00082 126 3PZ 0.00000 0.00005 0.00002 -0.00029 -0.00013 127 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 128 4YY 0.00000 0.00000 0.00000 0.00002 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 138 3S 0.00000 0.00000 0.00001 0.00005 -0.00058 139 3PX 0.00000 -0.00001 0.00003 -0.00042 0.00017 140 3PY 0.00000 0.00000 0.00001 0.00005 0.00015 141 3PZ 0.00000 0.00001 0.00001 -0.00012 -0.00079 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00006 -0.00019 150 2PX 0.00000 0.00000 0.00000 -0.00018 -0.00031 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 -0.00009 -0.00032 153 3S 0.00000 0.00000 0.00008 -0.00231 -0.00477 154 3PX 0.00000 -0.00001 0.00008 -0.00192 -0.00208 155 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00007 156 3PZ 0.00000 0.00001 0.00003 -0.00082 -0.00275 157 4XX 0.00000 0.00000 0.00000 0.00001 0.00002 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 -0.00029 -0.00095 164 2S 0.00000 0.00000 -0.00030 0.00764 0.01776 165 2PX 0.00000 0.00000 -0.00096 0.01695 0.01474 166 2PY 0.00000 0.00000 -0.00040 0.00625 0.01621 167 2PZ 0.00000 0.00000 -0.00034 0.00584 0.01807 168 3S 0.00000 -0.00002 0.00070 0.00185 0.01814 169 3PX 0.00000 0.00001 0.00069 0.00078 -0.00001 170 3PY 0.00000 0.00002 0.00068 0.00064 0.00682 171 3PZ 0.00000 0.00005 0.00029 -0.00087 0.00427 172 4XX 0.00000 0.00000 -0.00005 0.00081 -0.00088 173 4YY 0.00000 0.00000 0.00001 -0.00028 -0.00017 174 4ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00006 175 4XY 0.00000 0.00000 -0.00010 0.00143 0.00117 176 4XZ 0.00000 0.00000 -0.00004 0.00061 0.00029 177 4YZ 0.00000 0.00000 -0.00004 0.00065 0.00154 178 18 H 1S 0.00000 0.00000 -0.00206 0.03267 0.01949 179 2S 0.00000 -0.00003 -0.00110 0.01289 0.01236 180 19 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00003 181 2S 0.00000 -0.00003 0.00020 -0.00288 -0.00061 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00010 0.00027 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 188 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00004 189 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00007 190 2PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 191 3S 0.00000 0.00000 0.00002 -0.00015 0.00019 192 3PX 0.00000 -0.00001 0.00007 -0.00163 -0.00043 193 3PY 0.00000 0.00000 0.00004 -0.00063 -0.00077 194 3PZ 0.00000 -0.00001 0.00002 -0.00062 -0.00089 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 209 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 2PY 0.42070 92 2PZ 0.00000 0.37981 93 3S 0.00000 0.00000 0.55077 94 3PX 0.00000 0.00000 0.00000 0.12665 95 3PY 0.07352 0.00000 0.00000 0.00000 0.06783 96 3PZ 0.00000 0.11624 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00521 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00388 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00231 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 C 1S -0.00252 0.00000 0.00178 0.00000 0.00038 104 2S 0.03887 0.00000 -0.00336 0.00000 0.00776 105 2PX 0.00000 0.00000 0.00000 0.01766 0.00000 106 2PY 0.09866 0.00000 0.03299 0.00000 0.02184 107 2PZ 0.00000 0.00953 0.00000 0.00000 0.00000 108 3S 0.03299 0.00000 -0.09801 0.00000 -0.02984 109 3PX 0.00000 0.00000 0.00000 0.02695 0.00000 110 3PY 0.02184 0.00000 -0.02984 0.00000 0.00252 111 3PZ 0.00000 0.01430 0.00000 0.00000 0.00000 112 4XX -0.00107 0.00000 -0.00120 0.00000 -0.00090 113 4YY 0.00242 0.00000 0.00425 0.00000 0.00138 114 4ZZ -0.00117 0.00000 -0.00094 0.00000 -0.00112 115 4XY 0.00000 0.00000 0.00000 0.00114 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00204 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 -0.00004 -0.00003 0.00002 119 2S -0.00021 -0.00001 -0.00017 -0.00011 -0.00160 120 2PX -0.00020 -0.00002 -0.00059 -0.00003 -0.00097 121 2PY -0.00036 -0.00004 -0.00337 0.00000 -0.00428 122 2PZ -0.00002 0.00000 -0.00055 -0.00010 -0.00019 123 3S -0.00283 -0.00060 0.00209 0.00100 -0.00413 124 3PX -0.00055 -0.00034 -0.00067 0.00044 0.00111 125 3PY 0.00202 -0.00029 0.00590 0.00235 0.00295 126 3PZ -0.00005 0.00019 -0.00168 -0.00059 0.00033 127 4XX -0.00002 0.00000 -0.00011 -0.00012 -0.00044 128 4YY 0.00008 0.00000 0.00025 0.00006 0.00055 129 4ZZ 0.00000 0.00000 -0.00010 0.00006 -0.00002 130 4XY 0.00001 0.00000 -0.00016 0.00000 -0.00028 131 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 132 4YZ 0.00001 0.00000 -0.00010 0.00009 -0.00007 133 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 134 2S 0.00000 0.00000 0.00019 -0.00045 0.00008 135 2PX -0.00001 -0.00002 -0.00009 0.00026 0.00028 136 2PY 0.00000 0.00000 -0.00014 -0.00021 -0.00009 137 2PZ -0.00001 0.00001 0.00010 -0.00064 -0.00015 138 3S -0.00009 0.00006 0.00508 -0.00340 0.00268 139 3PX -0.00011 -0.00029 -0.00192 0.00053 0.00066 140 3PY -0.00007 -0.00005 0.00245 0.00013 0.00002 141 3PZ -0.00021 0.00022 -0.00041 -0.00245 -0.00080 142 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00002 143 4YY 0.00000 0.00000 0.00000 -0.00002 0.00001 144 4ZZ 0.00000 0.00000 -0.00001 0.00003 0.00000 145 4XY 0.00000 0.00000 -0.00005 -0.00003 0.00001 146 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 147 4YZ 0.00000 0.00000 -0.00002 -0.00003 0.00000 148 16 C 1S 0.00000 0.00000 0.00012 0.00014 0.00000 149 2S 0.00000 -0.00009 -0.00277 -0.00282 0.00001 150 2PX 0.00000 -0.00028 -0.00533 -0.00305 0.00006 151 2PY -0.00002 0.00000 -0.00003 -0.00002 -0.00033 152 2PZ 0.00000 -0.00005 -0.00217 -0.00330 0.00002 153 3S 0.00002 -0.00220 -0.02289 -0.01182 -0.00002 154 3PX 0.00002 -0.00270 -0.01093 -0.00290 0.00010 155 3PY -0.00038 -0.00003 -0.00001 -0.00013 -0.00259 156 3PZ 0.00000 -0.00015 -0.00267 -0.00558 0.00003 157 4XX 0.00000 0.00003 0.00015 0.00009 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00011 0.00000 159 4ZZ 0.00000 0.00000 0.00004 0.00024 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00001 0.00002 0.00012 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 163 17 C 1S -0.00044 -0.00039 0.00105 -0.00003 -0.00095 164 2S 0.00872 0.00731 -0.00077 0.00664 0.00697 165 2PX 0.01683 0.01832 0.02627 0.00133 0.01031 166 2PY 0.00097 0.00560 0.01340 0.01072 0.00177 167 2PZ 0.00523 -0.00004 0.00962 0.01189 0.00288 168 3S 0.00737 0.00700 -0.02522 0.00893 0.00480 169 3PX 0.00242 0.00399 -0.00638 0.00087 0.00273 170 3PY 0.00261 0.00203 -0.00974 0.00242 0.00198 171 3PZ 0.00047 0.00266 -0.00174 0.00422 -0.00027 172 4XX 0.00125 0.00086 0.00376 -0.00081 0.00036 173 4YY -0.00037 -0.00023 -0.00170 -0.00007 -0.00034 174 4ZZ 0.00013 -0.00015 0.00025 0.00085 -0.00023 175 4XY 0.00016 0.00140 0.00182 0.00006 0.00003 176 4XZ 0.00061 -0.00005 0.00027 0.00002 0.00006 177 4YZ 0.00007 -0.00001 0.00071 0.00050 0.00003 178 18 H 1S 0.02495 0.05560 0.04489 0.00948 0.00981 179 2S 0.01318 0.03319 0.00299 0.00938 0.00826 180 19 H 1S -0.00052 -0.00008 -0.00319 -0.00004 -0.00297 181 2S -0.00607 -0.00104 -0.00518 -0.00092 -0.00469 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 -0.00040 -0.00007 -0.00006 184 21 H 1S 0.00000 0.00000 0.00008 0.00015 0.00002 185 2S 0.00002 0.00012 0.00239 0.00252 0.00011 186 22 O 1S 0.00000 0.00000 0.00001 -0.00004 0.00001 187 2S -0.00005 0.00000 -0.00071 0.00028 0.00041 188 2PX -0.00015 -0.00004 -0.00467 -0.00023 0.00146 189 2PY -0.00012 -0.00002 -0.00287 -0.00241 0.00104 190 2PZ -0.00004 0.00000 -0.00119 -0.00060 0.00035 191 3S -0.00205 0.00009 -0.00059 0.00309 -0.00252 192 3PX -0.00320 -0.00088 -0.02240 -0.00013 0.00361 193 3PY -0.00226 -0.00007 -0.00975 -0.00599 0.00141 194 3PZ -0.00080 -0.00015 -0.00578 -0.00256 0.00110 195 4XX 0.00002 0.00000 0.00006 -0.00002 0.00006 196 4YY 0.00002 0.00000 -0.00041 -0.00034 0.00025 197 4ZZ 0.00000 0.00000 0.00010 0.00004 -0.00005 198 4XY 0.00001 0.00001 -0.00028 0.00000 0.00021 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00000 0.00000 -0.00005 0.00002 0.00004 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00004 0.00000 0.00014 204 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 205 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00003 206 3S 0.00002 0.00000 0.00008 0.00003 0.00035 207 3PX 0.00002 0.00000 0.00054 0.00000 0.00151 208 3PY 0.00005 0.00000 0.00065 0.00004 0.00112 209 3PZ 0.00000 0.00000 0.00019 -0.00011 0.00030 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3PZ 0.13016 97 4XX 0.00000 0.00095 98 4YY 0.00000 -0.00007 0.00091 99 4ZZ 0.00000 0.00007 -0.00006 0.00083 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00099 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 C 1S 0.00000 0.00000 -0.00024 0.00000 0.00000 104 2S 0.00000 -0.00046 0.00319 -0.00042 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00193 106 2PY 0.00000 -0.00107 0.00242 -0.00117 0.00000 107 2PZ 0.01430 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00120 0.00425 -0.00094 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00114 110 3PY 0.00000 -0.00090 0.00138 -0.00112 0.00000 111 3PZ 0.02253 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00003 -0.00005 0.00000 0.00000 113 4YY 0.00000 -0.00005 0.00002 -0.00003 0.00000 114 4ZZ 0.00000 0.00000 -0.00003 0.00002 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00118 0.00000 0.00000 0.00000 0.00000 118 14 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 119 2S 0.00013 0.00000 0.00000 0.00000 0.00001 120 2PX -0.00009 0.00000 0.00001 0.00000 0.00001 121 2PY -0.00018 0.00000 0.00001 0.00000 0.00003 122 2PZ 0.00024 0.00000 0.00000 0.00000 0.00001 123 3S -0.00083 0.00003 -0.00002 0.00005 0.00009 124 3PX -0.00043 0.00000 0.00000 0.00004 0.00000 125 3PY -0.00031 -0.00003 0.00003 -0.00008 0.00009 126 3PZ 0.00073 0.00002 0.00000 0.00001 0.00003 127 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 129 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00004 0.00000 0.00000 0.00000 0.00000 136 2PY -0.00015 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00018 0.00000 0.00000 0.00000 0.00000 138 3S 0.00004 -0.00003 0.00000 0.00001 -0.00004 139 3PX -0.00038 -0.00001 -0.00001 0.00002 -0.00002 140 3PY -0.00039 -0.00002 0.00001 0.00000 0.00001 141 3PZ 0.00022 0.00001 0.00000 -0.00001 -0.00002 142 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 149 2S -0.00098 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00217 0.00001 0.00000 0.00002 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00026 0.00002 0.00000 0.00000 0.00000 153 3S -0.00362 0.00005 0.00000 0.00013 0.00000 154 3PX -0.00347 0.00004 -0.00010 0.00025 0.00000 155 3PY -0.00005 0.00000 0.00000 0.00000 -0.00003 156 3PZ 0.00004 0.00017 -0.00005 0.00000 0.00000 157 4XX 0.00023 0.00000 0.00000 0.00000 0.00000 158 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00021 -0.00004 0.00000 0.00000 -0.00007 164 2S 0.00125 0.00095 -0.00028 -0.00013 0.00107 165 2PX 0.00941 -0.00034 -0.00029 -0.00025 0.00086 166 2PY 0.00477 0.00079 -0.00028 -0.00016 0.00001 167 2PZ -0.00051 0.00058 -0.00009 -0.00011 0.00074 168 3S 0.00046 0.00154 -0.00061 -0.00023 0.00041 169 3PX 0.00157 -0.00033 0.00015 0.00028 0.00002 170 3PY -0.00091 0.00037 0.00012 -0.00043 -0.00008 171 3PZ 0.00296 0.00060 -0.00006 -0.00030 0.00009 172 4XX 0.00165 -0.00001 -0.00009 0.00002 -0.00002 173 4YY -0.00063 -0.00005 0.00002 -0.00002 0.00000 174 4ZZ -0.00043 -0.00002 -0.00002 0.00001 -0.00007 175 4XY 0.00045 -0.00001 -0.00001 -0.00006 0.00003 176 4XZ 0.00017 0.00000 -0.00004 0.00000 -0.00001 177 4YZ 0.00012 -0.00004 0.00000 0.00000 -0.00001 178 18 H 1S 0.02975 -0.00078 -0.00080 0.00196 0.00079 179 2S 0.02860 -0.00055 -0.00116 0.00252 0.00018 180 19 H 1S -0.00079 0.00000 0.00002 0.00000 0.00002 181 2S -0.00235 0.00016 -0.00009 0.00007 0.00010 182 20 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 183 2S -0.00016 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 185 2S 0.00098 0.00000 0.00000 -0.00001 0.00000 186 22 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 187 2S 0.00007 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00096 0.00000 0.00001 0.00000 0.00000 189 2PY -0.00095 0.00000 0.00002 0.00000 0.00001 190 2PZ -0.00043 0.00000 0.00000 0.00000 0.00000 191 3S 0.00095 0.00001 0.00007 -0.00001 -0.00002 192 3PX -0.00348 -0.00004 0.00030 0.00003 -0.00002 193 3PY -0.00220 -0.00003 0.00033 -0.00005 0.00016 194 3PZ -0.00259 0.00005 0.00004 -0.00001 0.00005 195 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00014 0.00000 0.00000 0.00000 0.00001 197 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 198 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 206 3S -0.00002 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 4XZ 0.00067 102 4YZ 0.00000 0.00118 103 13 C 1S 0.00000 0.00000 2.05570 104 2S 0.00000 0.00000 -0.01298 0.31847 105 2PX 0.00000 0.00000 0.00000 0.00000 0.36791 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00204 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.04328 0.27774 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.11493 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00118 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00106 -0.00669 0.00000 113 4YY 0.00000 0.00000 -0.00130 -0.00140 0.00000 114 4ZZ 0.00000 0.00000 -0.00118 -0.00397 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 -0.00020 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 -0.00029 -0.00095 119 2S 0.00000 0.00000 -0.00030 0.00764 0.01776 120 2PX 0.00000 0.00001 -0.00096 0.01695 0.01474 121 2PY 0.00000 0.00001 -0.00040 0.00625 0.01621 122 2PZ 0.00000 0.00000 -0.00034 0.00584 0.01807 123 3S 0.00000 0.00005 0.00070 0.00185 0.01814 124 3PX 0.00000 0.00003 0.00069 0.00078 -0.00001 125 3PY -0.00001 0.00002 0.00068 0.00064 0.00682 126 3PZ 0.00000 0.00001 0.00029 -0.00087 0.00427 127 4XX 0.00000 0.00000 -0.00005 0.00081 -0.00088 128 4YY 0.00000 0.00000 0.00001 -0.00028 -0.00017 129 4ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00006 130 4XY 0.00000 0.00000 -0.00010 0.00143 0.00117 131 4XZ 0.00000 0.00000 -0.00004 0.00061 0.00029 132 4YZ 0.00000 0.00000 -0.00004 0.00065 0.00154 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00006 -0.00019 135 2PX 0.00000 0.00000 0.00000 -0.00018 -0.00031 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 -0.00009 -0.00032 138 3S 0.00000 -0.00002 0.00008 -0.00231 -0.00477 139 3PX 0.00001 -0.00002 0.00008 -0.00192 -0.00208 140 3PY -0.00001 0.00001 0.00000 -0.00002 -0.00007 141 3PZ 0.00000 0.00000 0.00003 -0.00082 -0.00275 142 4XX 0.00000 0.00000 0.00000 0.00001 0.00002 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 150 2PX 0.00003 0.00000 0.00000 -0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00003 153 3S 0.00002 0.00000 0.00001 0.00005 -0.00058 154 3PX 0.00010 0.00000 0.00003 -0.00042 0.00017 155 3PY 0.00000 -0.00002 0.00001 0.00005 0.00015 156 3PZ 0.00001 0.00000 0.00001 -0.00012 -0.00079 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00004 -0.00003 0.00000 0.00000 0.00000 164 2S 0.00070 0.00042 0.00000 -0.00005 -0.00003 165 2PX 0.00043 0.00083 0.00000 -0.00006 -0.00002 166 2PY 0.00074 0.00001 0.00000 -0.00014 -0.00001 167 2PZ -0.00001 0.00000 0.00000 -0.00003 0.00002 168 3S 0.00022 0.00025 -0.00002 -0.00055 -0.00023 169 3PX 0.00001 0.00014 0.00000 -0.00034 -0.00006 170 3PY 0.00003 -0.00007 -0.00017 0.00142 0.00082 171 3PZ 0.00007 0.00004 0.00002 -0.00029 -0.00013 172 4XX 0.00001 -0.00006 0.00000 0.00000 -0.00001 173 4YY -0.00005 0.00000 0.00000 0.00002 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 176 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00001 0.00000 0.00000 0.00000 0.00001 178 18 H 1S 0.00137 0.00254 0.00000 -0.00017 -0.00003 179 2S 0.00020 0.00048 0.00020 -0.00288 -0.00061 180 19 H 1S 0.00000 0.00006 -0.00206 0.03267 0.01949 181 2S 0.00000 0.00025 -0.00110 0.01289 0.01236 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00010 0.00027 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00001 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00004 0.00000 0.00000 0.00000 193 3PY -0.00005 0.00004 0.00000 0.00001 0.00000 194 3PZ 0.00002 0.00002 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 203 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00004 204 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00007 205 2PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 206 3S 0.00000 0.00000 0.00002 -0.00015 0.00019 207 3PX 0.00000 0.00000 0.00007 -0.00163 -0.00043 208 3PY 0.00000 0.00000 0.00004 -0.00063 -0.00077 209 3PZ 0.00000 0.00000 0.00002 -0.00062 -0.00089 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 106 107 108 109 110 106 2PY 0.42070 107 2PZ 0.00000 0.37981 108 3S 0.00000 0.00000 0.55077 109 3PX 0.00000 0.00000 0.00000 0.12665 110 3PY 0.07352 0.00000 0.00000 0.00000 0.06783 111 3PZ 0.00000 0.11624 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00521 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00388 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00231 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S -0.00044 -0.00039 0.00105 -0.00003 -0.00095 119 2S 0.00872 0.00731 -0.00077 0.00664 0.00697 120 2PX 0.01683 0.01832 0.02627 0.00133 0.01031 121 2PY 0.00097 0.00560 0.01340 0.01072 0.00177 122 2PZ 0.00523 -0.00004 0.00962 0.01189 0.00288 123 3S 0.00737 0.00700 -0.02522 0.00893 0.00480 124 3PX 0.00242 0.00399 -0.00638 0.00087 0.00273 125 3PY 0.00261 0.00203 -0.00974 0.00242 0.00198 126 3PZ 0.00047 0.00266 -0.00174 0.00422 -0.00027 127 4XX 0.00125 0.00086 0.00376 -0.00081 0.00036 128 4YY -0.00037 -0.00023 -0.00170 -0.00007 -0.00034 129 4ZZ 0.00013 -0.00015 0.00025 0.00085 -0.00023 130 4XY 0.00016 0.00140 0.00182 0.00006 0.00003 131 4XZ 0.00061 -0.00005 0.00027 0.00002 0.00006 132 4YZ 0.00007 -0.00001 0.00071 0.00050 0.00003 133 15 C 1S 0.00000 0.00000 0.00012 0.00014 0.00000 134 2S 0.00000 -0.00009 -0.00277 -0.00282 0.00001 135 2PX 0.00000 -0.00028 -0.00533 -0.00305 0.00006 136 2PY -0.00002 0.00000 -0.00003 -0.00002 -0.00033 137 2PZ 0.00000 -0.00005 -0.00217 -0.00330 0.00002 138 3S 0.00002 -0.00220 -0.02289 -0.01182 -0.00002 139 3PX 0.00002 -0.00270 -0.01093 -0.00290 0.00010 140 3PY -0.00038 -0.00003 -0.00001 -0.00013 -0.00259 141 3PZ 0.00000 -0.00015 -0.00267 -0.00558 0.00003 142 4XX 0.00000 0.00003 0.00015 0.00009 0.00000 143 4YY 0.00000 0.00000 0.00000 -0.00011 0.00000 144 4ZZ 0.00000 0.00000 0.00004 0.00024 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 146 4XZ 0.00000 0.00001 0.00002 0.00012 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00000 0.00019 -0.00045 0.00008 150 2PX -0.00001 -0.00002 -0.00009 0.00026 0.00028 151 2PY 0.00000 0.00000 -0.00014 -0.00021 -0.00009 152 2PZ -0.00001 0.00001 0.00010 -0.00064 -0.00015 153 3S -0.00009 0.00006 0.00508 -0.00340 0.00268 154 3PX -0.00011 -0.00029 -0.00192 0.00053 0.00066 155 3PY -0.00007 -0.00005 0.00245 0.00013 0.00002 156 3PZ -0.00021 0.00022 -0.00041 -0.00245 -0.00080 157 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00002 158 4YY 0.00000 0.00000 0.00000 -0.00002 0.00001 159 4ZZ 0.00000 0.00000 -0.00001 0.00003 0.00000 160 4XY 0.00000 0.00000 -0.00005 -0.00003 0.00001 161 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 162 4YZ 0.00000 0.00000 -0.00002 -0.00003 0.00000 163 17 C 1S 0.00000 0.00000 -0.00004 -0.00003 0.00002 164 2S -0.00021 -0.00001 -0.00017 -0.00011 -0.00160 165 2PX -0.00020 -0.00002 -0.00059 -0.00003 -0.00097 166 2PY -0.00036 -0.00004 -0.00337 0.00000 -0.00428 167 2PZ -0.00002 0.00000 -0.00055 -0.00010 -0.00019 168 3S -0.00283 -0.00060 0.00209 0.00100 -0.00413 169 3PX -0.00055 -0.00034 -0.00067 0.00044 0.00111 170 3PY 0.00202 -0.00029 0.00590 0.00235 0.00295 171 3PZ -0.00005 0.00019 -0.00168 -0.00059 0.00033 172 4XX -0.00002 0.00000 -0.00011 -0.00012 -0.00044 173 4YY 0.00008 0.00000 0.00025 0.00006 0.00055 174 4ZZ 0.00000 0.00000 -0.00010 0.00006 -0.00002 175 4XY 0.00001 0.00000 -0.00016 0.00000 -0.00028 176 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 177 4YZ 0.00001 0.00000 -0.00010 0.00009 -0.00007 178 18 H 1S -0.00052 -0.00008 -0.00319 -0.00004 -0.00297 179 2S -0.00607 -0.00104 -0.00518 -0.00092 -0.00469 180 19 H 1S 0.02495 0.05560 0.04489 0.00948 0.00981 181 2S 0.01318 0.03319 0.00299 0.00938 0.00826 182 20 H 1S 0.00000 0.00000 0.00008 0.00015 0.00002 183 2S 0.00002 0.00012 0.00239 0.00252 0.00011 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 -0.00040 -0.00007 -0.00006 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00004 0.00000 0.00014 189 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 190 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00003 191 3S 0.00002 0.00000 0.00008 0.00003 0.00035 192 3PX 0.00002 0.00000 0.00054 0.00000 0.00151 193 3PY 0.00005 0.00000 0.00065 0.00004 0.00112 194 3PZ 0.00000 0.00000 0.00019 -0.00011 0.00030 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00001 -0.00004 0.00001 202 2S -0.00005 0.00000 -0.00071 0.00028 0.00041 203 2PX -0.00015 -0.00004 -0.00467 -0.00023 0.00146 204 2PY -0.00012 -0.00002 -0.00287 -0.00241 0.00104 205 2PZ -0.00004 0.00000 -0.00119 -0.00060 0.00035 206 3S -0.00205 0.00009 -0.00059 0.00309 -0.00252 207 3PX -0.00320 -0.00088 -0.02240 -0.00013 0.00361 208 3PY -0.00226 -0.00007 -0.00975 -0.00599 0.00141 209 3PZ -0.00080 -0.00015 -0.00578 -0.00256 0.00110 210 4XX 0.00002 0.00000 0.00006 -0.00002 0.00006 211 4YY 0.00002 0.00000 -0.00041 -0.00034 0.00025 212 4ZZ 0.00000 0.00000 0.00010 0.00004 -0.00005 213 4XY 0.00001 0.00001 -0.00028 0.00000 0.00021 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00000 0.00000 -0.00005 0.00002 0.00004 111 112 113 114 115 111 3PZ 0.13016 112 4XX 0.00000 0.00095 113 4YY 0.00000 -0.00007 0.00091 114 4ZZ 0.00000 0.00007 -0.00006 0.00083 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00099 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00021 -0.00004 0.00000 0.00000 -0.00007 119 2S 0.00125 0.00095 -0.00028 -0.00013 0.00107 120 2PX 0.00941 -0.00034 -0.00029 -0.00025 0.00086 121 2PY 0.00477 0.00079 -0.00028 -0.00016 0.00001 122 2PZ -0.00050 0.00058 -0.00009 -0.00011 0.00074 123 3S 0.00046 0.00154 -0.00061 -0.00023 0.00041 124 3PX 0.00157 -0.00033 0.00015 0.00028 0.00002 125 3PY -0.00091 0.00037 0.00012 -0.00043 -0.00008 126 3PZ 0.00296 0.00060 -0.00006 -0.00030 0.00009 127 4XX 0.00165 -0.00001 -0.00009 0.00002 -0.00002 128 4YY -0.00063 -0.00005 0.00002 -0.00002 0.00000 129 4ZZ -0.00043 -0.00002 -0.00002 0.00001 -0.00007 130 4XY 0.00045 -0.00001 -0.00001 -0.00006 0.00003 131 4XZ 0.00017 0.00000 -0.00004 0.00000 -0.00001 132 4YZ 0.00012 -0.00004 0.00000 0.00000 -0.00001 133 15 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 134 2S -0.00098 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00217 0.00001 0.00000 0.00002 0.00000 136 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00026 0.00002 0.00000 0.00000 0.00000 138 3S -0.00362 0.00005 0.00000 0.00013 0.00000 139 3PX -0.00347 0.00004 -0.00010 0.00025 0.00000 140 3PY -0.00005 0.00000 0.00000 0.00000 -0.00003 141 3PZ 0.00004 0.00017 -0.00005 0.00000 0.00000 142 4XX 0.00023 0.00000 0.00000 0.00000 0.00000 143 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00004 0.00000 0.00000 0.00000 0.00000 151 2PY -0.00015 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00018 0.00000 0.00000 0.00000 0.00000 153 3S 0.00004 -0.00003 0.00000 0.00001 -0.00004 154 3PX -0.00038 -0.00001 -0.00001 0.00002 -0.00002 155 3PY -0.00039 -0.00002 0.00001 0.00000 0.00001 156 3PZ 0.00022 0.00001 0.00000 -0.00001 -0.00002 157 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 160 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 164 2S 0.00013 0.00000 0.00000 0.00000 0.00001 165 2PX -0.00009 0.00000 0.00001 0.00000 0.00001 166 2PY -0.00018 0.00000 0.00001 0.00000 0.00003 167 2PZ 0.00024 0.00000 0.00000 0.00000 0.00001 168 3S -0.00083 0.00003 -0.00002 0.00005 0.00009 169 3PX -0.00043 0.00000 0.00000 0.00004 0.00000 170 3PY -0.00031 -0.00003 0.00003 -0.00008 0.00009 171 3PZ 0.00073 0.00002 0.00000 0.00001 0.00003 172 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00079 0.00000 0.00002 0.00000 0.00002 179 2S -0.00235 0.00016 -0.00009 0.00007 0.00010 180 19 H 1S 0.02975 -0.00078 -0.00080 0.00196 0.00079 181 2S 0.02860 -0.00055 -0.00116 0.00252 0.00018 182 20 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 183 2S 0.00098 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00016 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 191 3S -0.00002 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 202 2S 0.00007 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00096 0.00000 0.00001 0.00000 0.00000 204 2PY -0.00095 0.00000 0.00002 0.00000 0.00001 205 2PZ -0.00043 0.00000 0.00000 0.00000 0.00000 206 3S 0.00095 0.00001 0.00007 -0.00001 -0.00002 207 3PX -0.00348 -0.00004 0.00030 0.00003 -0.00002 208 3PY -0.00220 -0.00003 0.00033 -0.00005 0.00016 209 3PZ -0.00259 0.00005 0.00004 -0.00001 0.00005 210 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00014 0.00000 0.00000 0.00000 0.00001 212 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 4XZ 0.00067 117 4YZ 0.00000 0.00118 118 14 C 1S -0.00004 -0.00003 2.05381 119 2S 0.00070 0.00042 -0.01557 0.35855 120 2PX 0.00043 0.00083 0.00000 0.00000 0.37725 121 2PY 0.00074 0.00001 0.00000 0.00000 0.00000 122 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 123 3S 0.00022 0.00025 -0.02761 0.20695 0.00000 124 3PX 0.00001 0.00014 0.00000 0.00000 0.04912 125 3PY 0.00003 -0.00007 0.00000 0.00000 0.00000 126 3PZ 0.00007 0.00004 0.00000 0.00000 0.00000 127 4XX 0.00001 -0.00006 -0.00100 -0.00848 0.00000 128 4YY -0.00005 0.00000 -0.00121 -0.00258 0.00000 129 4ZZ 0.00000 0.00000 -0.00087 -0.01095 0.00000 130 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00026 -0.00074 134 2S 0.00000 0.00000 -0.00028 0.00696 0.01363 135 2PX 0.00003 0.00000 -0.00076 0.01438 0.00912 136 2PY 0.00000 0.00000 -0.00045 0.00897 0.01375 137 2PZ 0.00001 0.00000 -0.00046 0.00861 0.01859 138 3S 0.00002 0.00000 0.00103 -0.00201 0.02005 139 3PX 0.00010 0.00000 0.00037 0.00303 -0.00063 140 3PY 0.00000 -0.00002 -0.00110 0.00723 0.00994 141 3PZ 0.00001 0.00000 0.00011 0.00221 0.01012 142 4XX 0.00000 0.00000 -0.00003 0.00056 -0.00045 143 4YY 0.00000 0.00000 0.00000 -0.00022 -0.00012 144 4ZZ 0.00000 0.00000 -0.00001 0.00015 0.00012 145 4XY 0.00000 0.00000 -0.00006 0.00095 0.00057 146 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00024 147 4YZ 0.00000 0.00000 -0.00004 0.00059 0.00091 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00006 -0.00006 150 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00003 151 2PY 0.00000 0.00000 0.00000 -0.00025 -0.00015 152 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00001 153 3S 0.00000 -0.00002 -0.00007 0.00003 -0.00028 154 3PX 0.00001 -0.00002 -0.00004 0.00011 0.00002 155 3PY -0.00001 0.00001 0.00000 -0.00145 -0.00029 156 3PZ 0.00000 0.00000 -0.00002 -0.00006 -0.00007 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00001 0.00002 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00001 0.00000 -0.00002 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00005 0.00003 -0.00048 0.00000 169 3PX 0.00000 0.00003 0.00000 0.00000 -0.00014 170 3PY -0.00001 0.00002 0.00009 -0.00129 0.00000 171 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00006 0.00000 0.00000 0.00000 179 2S 0.00000 0.00025 0.00000 0.00009 0.00013 180 19 H 1S 0.00137 0.00254 0.00000 -0.00017 -0.00043 181 2S 0.00020 0.00048 0.00025 -0.00376 -0.00566 182 20 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00040 183 2S 0.00000 0.00000 0.00025 -0.00356 -0.00611 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00009 0.00013 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 -0.00026 -0.00001 202 2S 0.00000 0.00000 -0.00015 0.00379 0.00021 203 2PX 0.00000 0.00000 -0.00002 0.00032 0.01235 204 2PY 0.00000 0.00000 -0.00178 0.04272 0.00169 205 2PZ 0.00000 0.00000 -0.00001 0.00021 -0.00024 206 3S 0.00000 0.00001 -0.00082 -0.01267 -0.00005 207 3PX 0.00000 0.00004 -0.00006 0.00042 0.02139 208 3PY -0.00005 0.00004 -0.00832 0.06356 0.00139 209 3PZ 0.00002 0.00002 -0.00004 0.00030 -0.00027 210 4XX 0.00000 0.00000 0.00001 -0.00068 0.00002 211 4YY 0.00000 0.00000 -0.00082 0.00785 0.00032 212 4ZZ 0.00000 0.00000 0.00001 -0.00066 -0.00001 213 4XY 0.00000 0.00000 -0.00002 0.00010 0.00381 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 215 4YZ 0.00000 0.00000 -0.00001 0.00006 -0.00002 121 122 123 124 125 121 2PY 0.42606 122 2PZ 0.00000 0.32857 123 3S 0.00000 0.00000 0.22567 124 3PX 0.00000 0.00000 0.00000 0.04066 125 3PY -0.00339 0.00000 0.00000 0.00000 0.03597 126 3PZ 0.00000 0.07015 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00375 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.00438 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00507 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00042 -0.00046 0.00016 0.00028 -0.00011 134 2S 0.00696 0.00858 0.00574 0.00011 0.00418 135 2PX 0.01360 0.01904 0.01506 0.00009 0.00615 136 2PY 0.00173 0.00898 0.00832 0.00257 0.00194 137 2PZ 0.00891 0.00070 0.00942 0.00334 0.00427 138 3S 0.01407 0.01069 -0.00943 -0.00072 -0.00327 139 3PX 0.01020 0.01032 0.00506 0.00056 0.00115 140 3PY 0.00167 0.00653 0.00483 0.00145 0.00058 141 3PZ 0.00634 -0.00047 0.00406 0.00292 0.00140 142 4XX 0.00054 0.00041 0.00079 -0.00031 -0.00016 143 4YY -0.00032 -0.00008 -0.00060 -0.00010 0.00009 144 4ZZ 0.00005 -0.00020 0.00036 0.00048 -0.00008 145 4XY 0.00006 0.00092 0.00050 0.00000 -0.00012 146 4XZ 0.00084 0.00000 0.00026 0.00000 0.00004 147 4YZ 0.00003 0.00007 0.00028 0.00013 -0.00006 148 16 C 1S 0.00000 0.00000 0.00001 0.00002 -0.00014 149 2S -0.00017 -0.00004 -0.00077 -0.00052 0.00147 150 2PX -0.00007 0.00001 -0.00109 0.00005 -0.00052 151 2PY -0.00045 -0.00012 -0.00274 -0.00067 0.00256 152 2PZ -0.00002 -0.00001 -0.00050 -0.00032 0.00000 153 3S -0.00416 0.00007 0.00036 -0.00207 0.00433 154 3PX -0.00048 0.00000 -0.00114 0.00062 -0.00028 155 3PY -0.00419 -0.00004 -0.00446 0.00032 0.00251 156 3PZ -0.00013 0.00000 -0.00035 -0.00080 0.00031 157 4XX 0.00000 0.00000 0.00004 0.00002 -0.00010 158 4YY 0.00002 0.00001 0.00002 0.00000 0.00007 159 4ZZ 0.00000 0.00000 0.00004 0.00002 -0.00005 160 4XY 0.00003 0.00002 0.00012 0.00000 0.00011 161 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 162 4YZ 0.00002 0.00000 0.00007 0.00003 0.00007 163 17 C 1S 0.00000 0.00000 0.00003 0.00000 0.00009 164 2S -0.00002 0.00000 -0.00048 0.00000 -0.00129 165 2PX 0.00000 0.00000 0.00000 -0.00014 0.00000 166 2PY -0.00006 0.00000 -0.00077 0.00000 0.00057 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00077 0.00000 -0.00358 0.00000 -0.00493 169 3PX 0.00000 0.00000 0.00000 0.00023 0.00000 170 3PY 0.00057 0.00000 -0.00493 0.00000 -0.00137 171 3PZ 0.00000 -0.00008 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 173 4YY 0.00000 0.00000 -0.00002 0.00000 0.00010 174 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00002 175 4XY 0.00000 0.00000 0.00000 -0.00004 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00008 0.00007 0.00000 179 2S 0.00012 0.00005 0.00107 0.00067 -0.00001 180 19 H 1S -0.00002 -0.00020 -0.00293 -0.00144 -0.00055 181 2S 0.00009 -0.00302 -0.00994 -0.00332 -0.00101 182 20 H 1S -0.00002 -0.00023 -0.00262 -0.00034 -0.00053 183 2S 0.00010 -0.00341 -0.01062 -0.00070 -0.00115 184 21 H 1S 0.00000 0.00000 0.00009 0.00006 0.00003 185 2S 0.00016 0.00008 0.00128 0.00064 0.00037 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 192 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 193 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00014 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00198 -0.00001 0.00154 0.00000 0.00027 202 2S 0.02886 0.00018 -0.02282 -0.00005 -0.01433 203 2PX 0.00175 -0.00024 0.00041 0.01758 -0.00030 204 2PY 0.10300 0.00136 0.02216 0.00008 -0.00467 205 2PZ 0.00131 0.01971 0.00015 -0.00007 -0.00011 206 3S 0.00881 -0.00016 -0.07513 -0.00022 -0.02238 207 3PX 0.00150 -0.00027 0.00089 0.03941 -0.00053 208 3PY 0.05542 0.00115 0.04105 0.00013 -0.00172 209 3PZ 0.00119 0.03788 0.00029 -0.00010 -0.00020 210 4XX -0.00094 0.00000 -0.00045 -0.00002 0.00121 211 4YY 0.00968 0.00026 0.00588 0.00006 -0.00155 212 4ZZ -0.00086 0.00001 -0.00056 0.00000 0.00106 213 4XY 0.00028 -0.00002 0.00004 0.00121 -0.00001 214 4XZ 0.00001 0.00004 0.00000 0.00001 0.00000 215 4YZ 0.00019 0.00454 0.00002 -0.00001 0.00000 126 127 128 129 130 126 3PZ 0.06508 127 4XX 0.00000 0.00216 128 4YY 0.00000 -0.00040 0.00226 129 4ZZ 0.00000 0.00032 -0.00023 0.00175 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00399 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00011 -0.00002 0.00000 -0.00001 -0.00009 134 2S 0.00086 0.00039 -0.00024 0.00017 0.00148 135 2PX 0.00419 -0.00075 -0.00016 0.00043 0.00085 136 2PY 0.00138 0.00065 -0.00042 0.00043 0.00028 137 2PZ 0.00111 0.00048 -0.00017 -0.00027 0.00167 138 3S -0.00416 0.00128 -0.00107 0.00179 0.00161 139 3PX 0.00233 -0.00061 -0.00037 0.00153 0.00000 140 3PY 0.00197 -0.00002 -0.00025 -0.00010 0.00000 141 3PZ 0.00309 0.00116 -0.00028 -0.00054 0.00044 142 4XX 0.00053 0.00001 -0.00005 0.00001 -0.00001 143 4YY 0.00011 -0.00005 0.00002 -0.00003 -0.00001 144 4ZZ -0.00038 0.00000 -0.00002 0.00000 -0.00005 145 4XY 0.00017 -0.00003 0.00000 -0.00009 0.00003 146 4XZ 0.00003 0.00002 -0.00007 0.00000 0.00002 147 4YZ 0.00001 -0.00009 0.00000 0.00000 -0.00002 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00015 0.00000 0.00002 0.00000 0.00000 150 2PX -0.00032 0.00000 0.00000 0.00001 -0.00001 151 2PY -0.00029 -0.00001 0.00009 -0.00001 0.00001 152 2PZ 0.00013 0.00001 0.00000 0.00000 0.00002 153 3S 0.00025 -0.00010 0.00024 -0.00015 -0.00017 154 3PX -0.00065 -0.00009 -0.00003 0.00013 0.00000 155 3PY 0.00102 -0.00012 0.00040 -0.00019 -0.00024 156 3PZ -0.00016 0.00015 -0.00001 -0.00010 0.00012 157 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00008 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00001 -0.00002 0.00002 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 -0.00004 170 3PY 0.00000 0.00001 0.00010 0.00002 0.00000 171 3PZ 0.00013 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 179 2S 0.00023 0.00000 -0.00001 0.00000 0.00001 180 19 H 1S -0.00034 0.00003 -0.00001 0.00004 -0.00001 181 2S 0.00008 0.00022 -0.00019 0.00057 -0.00006 182 20 H 1S -0.00078 0.00005 -0.00001 0.00002 0.00000 183 2S -0.00206 0.00055 -0.00022 0.00025 -0.00005 184 21 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 185 2S 0.00038 0.00000 -0.00001 0.00000 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00001 -0.00074 0.00000 -0.00002 202 2S 0.00001 -0.00067 0.00815 -0.00056 0.00017 203 2PX -0.00007 0.00010 0.00029 0.00000 0.00738 204 2PY 0.00021 -0.00145 0.00257 -0.00134 0.00036 205 2PZ 0.02349 -0.00001 0.00015 0.00004 0.00006 206 3S -0.00022 -0.00255 0.01163 -0.00197 0.00007 207 3PX -0.00010 -0.00008 0.00025 0.00004 0.00801 208 3PY 0.00029 -0.00439 0.00160 -0.00407 0.00009 209 3PZ 0.05178 -0.00002 0.00013 -0.00003 0.00003 210 4XX 0.00000 0.00007 -0.00013 0.00002 0.00001 211 4YY 0.00008 -0.00024 -0.00002 -0.00025 0.00004 212 4ZZ -0.00002 0.00002 -0.00010 0.00006 0.00000 213 4XY -0.00001 0.00001 0.00003 0.00000 0.00061 214 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00169 0.00000 0.00001 0.00001 0.00000 131 132 133 134 135 131 4XZ 0.00058 132 4YZ 0.00000 0.00308 133 15 C 1S -0.00005 -0.00005 2.05488 134 2S 0.00075 0.00081 -0.01440 0.33152 135 2PX 0.00018 0.00153 0.00000 0.00000 0.38170 136 2PY 0.00080 0.00013 0.00000 0.00000 0.00000 137 2PZ -0.00004 0.00005 0.00000 0.00000 0.00000 138 3S 0.00040 0.00096 -0.03683 0.26104 0.00000 139 3PX 0.00000 0.00044 0.00000 0.00000 0.10319 140 3PY 0.00009 0.00001 0.00000 0.00000 0.00000 141 3PZ 0.00003 0.00002 0.00000 0.00000 0.00000 142 4XX 0.00002 -0.00003 -0.00131 -0.00375 0.00000 143 4YY -0.00003 -0.00001 -0.00144 -0.00045 0.00000 144 4ZZ 0.00000 0.00000 -0.00112 -0.00711 0.00000 145 4XY -0.00001 -0.00001 0.00000 0.00000 0.00000 146 4XZ 0.00002 0.00001 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 -0.00076 0.00000 149 2S 0.00000 0.00000 -0.00076 0.01412 0.00000 150 2PX 0.00000 0.00002 0.00000 0.00000 0.01479 151 2PY 0.00000 0.00001 -0.00368 0.04861 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 -0.00008 0.00138 -0.00495 0.00000 154 3PX 0.00000 0.00010 0.00000 0.00000 0.01962 155 3PY -0.00002 -0.00016 -0.00031 0.00983 0.00000 156 3PZ 0.00000 0.00005 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00062 0.00000 158 4YY 0.00000 0.00000 -0.00031 0.00344 0.00000 159 4ZZ 0.00000 0.00000 0.00000 -0.00053 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00259 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00006 -0.00003 165 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00003 166 2PY 0.00000 0.00000 0.00000 -0.00017 -0.00007 167 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00001 168 3S 0.00000 0.00000 0.00001 -0.00077 -0.00109 169 3PX 0.00000 0.00000 0.00002 -0.00052 0.00005 170 3PY 0.00000 0.00000 -0.00014 0.00147 -0.00052 171 3PZ 0.00000 -0.00002 0.00000 -0.00015 -0.00032 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 175 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 180 19 H 1S 0.00006 0.00000 0.00000 0.00000 0.00000 181 2S 0.00020 -0.00003 0.00000 0.00012 0.00028 182 20 H 1S 0.00004 0.00000 -0.00204 0.03246 0.04617 183 2S 0.00011 -0.00003 -0.00101 0.01109 0.02858 184 21 H 1S 0.00000 0.00000 0.00000 -0.00021 -0.00008 185 2S 0.00000 0.00000 0.00021 -0.00301 -0.00129 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00002 0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 202 2S 0.00001 0.00009 0.00000 -0.00002 -0.00001 203 2PX 0.00003 0.00006 0.00000 -0.00004 -0.00002 204 2PY 0.00002 0.00015 0.00000 -0.00005 -0.00006 205 2PZ 0.00004 0.00633 0.00000 -0.00003 -0.00004 206 3S 0.00001 0.00004 0.00000 -0.00007 0.00025 207 3PX 0.00003 0.00003 0.00005 -0.00141 -0.00002 208 3PY 0.00001 0.00003 0.00004 -0.00089 -0.00052 209 3PZ 0.00004 0.00667 0.00004 -0.00100 -0.00084 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00002 0.00000 -0.00001 -0.00001 212 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 215 4YZ 0.00001 0.00064 0.00000 0.00000 0.00001 136 137 138 139 140 136 2PY 0.44170 137 2PZ 0.00000 0.35287 138 3S 0.00000 0.00000 0.46783 139 3PX 0.00000 0.00000 0.00000 0.10016 140 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 141 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 144 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00368 0.00000 0.00138 0.00000 -0.00031 149 2S 0.04861 0.00000 -0.00495 0.00000 0.00983 150 2PX 0.00000 0.00000 0.00000 0.01962 0.00000 151 2PY 0.10831 0.00000 0.03436 0.00000 0.01602 152 2PZ 0.00000 0.02369 0.00000 0.00000 0.00000 153 3S 0.03436 0.00000 -0.10064 0.00000 -0.02511 154 3PX 0.00000 0.00000 0.00000 0.02966 0.00000 155 3PY 0.01602 0.00000 -0.02511 0.00000 0.00037 156 3PZ 0.00000 0.03262 0.00000 0.00000 0.00000 157 4XX -0.00151 0.00000 -0.00130 0.00000 -0.00127 158 4YY 0.00225 0.00000 0.00387 0.00000 0.00100 159 4ZZ -0.00130 0.00000 -0.00093 0.00000 -0.00091 160 4XY 0.00000 0.00000 0.00000 0.00111 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00254 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 -0.00007 -0.00004 0.00000 164 2S -0.00025 -0.00002 0.00003 0.00011 -0.00145 165 2PX -0.00015 0.00001 -0.00028 0.00002 -0.00029 166 2PY -0.00045 -0.00002 -0.00416 -0.00048 -0.00419 167 2PZ -0.00012 -0.00001 0.00007 0.00000 -0.00004 168 3S -0.00274 -0.00050 0.00036 -0.00114 -0.00446 169 3PX -0.00067 -0.00032 -0.00207 0.00062 0.00032 170 3PY 0.00256 0.00000 0.00433 -0.00028 0.00251 171 3PZ -0.00029 0.00013 0.00025 -0.00065 0.00102 172 4XX -0.00001 0.00001 -0.00010 -0.00009 -0.00012 173 4YY 0.00009 0.00000 0.00024 -0.00003 0.00040 174 4ZZ -0.00001 0.00000 -0.00015 0.00013 -0.00019 175 4XY 0.00001 0.00002 -0.00017 0.00000 -0.00024 176 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 177 4YZ 0.00001 0.00000 -0.00008 0.00010 -0.00016 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 180 19 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 181 2S 0.00003 0.00012 0.00230 0.00225 0.00018 182 20 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 183 2S 0.01534 0.01536 0.00533 0.02216 0.00724 184 21 H 1S -0.00064 -0.00005 -0.00364 -0.00047 -0.00299 185 2S -0.00717 -0.00074 -0.00559 -0.00227 -0.00570 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 189 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 190 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 191 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 192 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 193 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 194 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 195 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 196 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 202 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 203 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 204 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 205 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 206 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 207 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 208 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 209 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 210 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 211 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 212 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 213 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 215 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 141 142 143 144 145 141 3PZ 0.11851 142 4XX 0.00000 0.00077 143 4YY 0.00000 -0.00008 0.00077 144 4ZZ 0.00000 0.00014 -0.00003 0.00068 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00031 0.00000 0.00000 149 2S 0.00000 -0.00062 0.00344 -0.00053 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00259 151 2PY 0.00000 -0.00151 0.00225 -0.00130 0.00000 152 2PZ 0.03262 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00130 0.00387 -0.00093 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00111 155 3PY 0.00000 -0.00127 0.00100 -0.00091 0.00000 156 3PZ 0.05159 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00003 -0.00004 0.00001 0.00000 158 4YY 0.00000 -0.00004 0.00003 -0.00005 0.00000 159 4ZZ 0.00000 0.00001 -0.00005 0.00003 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00024 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00129 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 164 2S -0.00006 0.00000 0.00000 0.00000 0.00001 165 2PX -0.00007 0.00000 0.00001 0.00000 0.00001 166 2PY -0.00013 0.00000 0.00002 0.00000 0.00003 167 2PZ 0.00000 0.00000 0.00001 0.00000 0.00002 168 3S -0.00035 0.00004 0.00002 0.00004 0.00012 169 3PX -0.00080 0.00002 0.00000 0.00002 0.00000 170 3PY 0.00031 -0.00010 0.00007 -0.00005 0.00011 171 3PZ -0.00016 0.00002 0.00001 0.00000 0.00004 172 4XX 0.00015 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00012 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00019 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 181 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 182 20 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 183 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 184 21 H 1S -0.00032 0.00000 0.00002 0.00000 0.00006 185 2S -0.00117 0.00014 -0.00013 0.00013 0.00026 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S -0.00001 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 193 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 202 2S 0.00008 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 205 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 206 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 207 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 208 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 209 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 210 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 212 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 4XZ 0.00063 147 4YZ 0.00000 0.00105 148 16 C 1S 0.00000 0.00000 2.05488 149 2S 0.00000 0.00000 -0.01440 0.33152 150 2PX 0.00000 0.00000 0.00000 0.00000 0.38170 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00254 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.03683 0.26103 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.10319 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00129 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00131 -0.00375 0.00000 158 4YY 0.00000 0.00000 -0.00144 -0.00045 0.00000 159 4ZZ 0.00000 0.00000 -0.00112 -0.00711 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00006 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 -0.00028 -0.00076 164 2S 0.00000 0.00001 -0.00026 0.00696 0.01438 165 2PX 0.00000 0.00002 -0.00074 0.01363 0.00912 166 2PY 0.00000 0.00002 -0.00042 0.00696 0.01360 167 2PZ 0.00000 0.00000 -0.00046 0.00858 0.01904 168 3S 0.00001 0.00007 0.00016 0.00574 0.01506 169 3PX 0.00000 0.00003 0.00028 0.00011 0.00009 170 3PY 0.00000 0.00007 -0.00011 0.00418 0.00615 171 3PZ 0.00000 0.00000 0.00011 0.00086 0.00419 172 4XX 0.00000 0.00000 -0.00002 0.00039 -0.00075 173 4YY 0.00000 0.00000 0.00000 -0.00024 -0.00016 174 4ZZ 0.00000 0.00000 -0.00001 0.00017 0.00043 175 4XY 0.00000 0.00000 -0.00009 0.00148 0.00085 176 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00018 177 4YZ 0.00000 0.00000 -0.00005 0.00081 0.00153 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00012 0.00028 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 182 20 H 1S 0.00156 0.00134 0.00000 -0.00021 -0.00008 183 2S 0.00023 0.00028 0.00021 -0.00301 -0.00129 184 21 H 1S 0.00000 0.00003 -0.00204 0.03246 0.04617 185 2S 0.00001 0.00014 -0.00101 0.01109 0.02857 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 188 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00002 189 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00006 190 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00004 191 3S 0.00000 0.00000 0.00000 -0.00007 0.00025 192 3PX 0.00000 0.00000 0.00005 -0.00141 -0.00002 193 3PY 0.00000 0.00000 0.00004 -0.00089 -0.00052 194 3PZ 0.00000 0.00000 0.00004 -0.00100 -0.00084 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00010 0.00000 0.00000 0.00000 208 3PY -0.00004 0.00013 0.00000 0.00002 0.00001 209 3PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 2PY 0.44170 152 2PZ 0.00000 0.35287 153 3S 0.00000 0.00000 0.46783 154 3PX 0.00000 0.00000 0.00000 0.10016 155 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 156 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00045 -0.00046 0.00103 0.00037 -0.00110 164 2S 0.00897 0.00861 -0.00201 0.00303 0.00722 165 2PX 0.01375 0.01859 0.02005 -0.00063 0.00994 166 2PY 0.00173 0.00891 0.01407 0.01020 0.00167 167 2PZ 0.00898 0.00070 0.01069 0.01032 0.00652 168 3S 0.00832 0.00942 -0.00943 0.00506 0.00483 169 3PX 0.00257 0.00334 -0.00072 0.00056 0.00145 170 3PY 0.00194 0.00426 -0.00327 0.00115 0.00058 171 3PZ 0.00138 0.00111 -0.00416 0.00233 0.00197 172 4XX 0.00065 0.00048 0.00128 -0.00061 -0.00002 173 4YY -0.00042 -0.00017 -0.00107 -0.00037 -0.00025 174 4ZZ 0.00043 -0.00027 0.00179 0.00153 -0.00010 175 4XY 0.00028 0.00167 0.00161 0.00000 0.00000 176 4XZ 0.00080 -0.00004 0.00040 0.00000 0.00009 177 4YZ 0.00013 0.00005 0.00096 0.00044 0.00001 178 18 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 179 2S 0.00003 0.00012 0.00230 0.00225 0.00018 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 181 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 182 20 H 1S -0.00064 -0.00005 -0.00364 -0.00047 -0.00299 183 2S -0.00717 -0.00074 -0.00559 -0.00227 -0.00570 184 21 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 185 2S 0.01534 0.01536 0.00533 0.02216 0.00724 186 22 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 187 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 188 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 189 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 190 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 191 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 192 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 193 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 194 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 195 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 196 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 197 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 198 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 200 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 204 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 205 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 206 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 207 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 208 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 209 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 210 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 211 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 157 158 159 160 156 3PZ 0.11851 157 4XX 0.00000 0.00077 158 4YY 0.00000 -0.00008 0.00077 159 4ZZ 0.00000 0.00014 -0.00003 0.00068 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00011 -0.00003 0.00000 -0.00001 -0.00006 164 2S 0.00221 0.00056 -0.00022 0.00015 0.00095 165 2PX 0.01012 -0.00045 -0.00012 0.00012 0.00057 166 2PY 0.00634 0.00054 -0.00032 0.00005 0.00006 167 2PZ -0.00047 0.00041 -0.00008 -0.00020 0.00092 168 3S 0.00406 0.00079 -0.00060 0.00036 0.00050 169 3PX 0.00292 -0.00031 -0.00010 0.00048 0.00000 170 3PY 0.00140 -0.00016 0.00009 -0.00008 -0.00012 171 3PZ 0.00309 0.00053 0.00011 -0.00038 0.00017 172 4XX 0.00116 0.00001 -0.00005 0.00000 -0.00003 173 4YY -0.00028 -0.00005 0.00002 -0.00002 0.00000 174 4ZZ -0.00054 0.00001 -0.00003 0.00000 -0.00009 175 4XY 0.00044 -0.00001 -0.00001 -0.00005 0.00003 176 4XZ 0.00003 0.00002 -0.00003 0.00000 -0.00001 177 4YZ 0.00002 -0.00003 -0.00001 0.00000 -0.00001 178 18 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 179 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00019 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00032 0.00000 0.00002 0.00000 0.00006 183 2S -0.00117 0.00014 -0.00013 0.00013 0.00026 184 21 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 185 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 186 22 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 187 2S 0.00008 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 190 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 191 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 192 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 193 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 194 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 195 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 197 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00001 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 208 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00063 162 4YZ 0.00000 0.00105 163 17 C 1S -0.00005 -0.00004 2.05381 164 2S 0.00075 0.00059 -0.01557 0.35855 165 2PX 0.00024 0.00091 0.00000 0.00000 0.37725 166 2PY 0.00084 0.00003 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00007 0.00000 0.00000 0.00000 168 3S 0.00026 0.00028 -0.02761 0.20695 0.00000 169 3PX 0.00000 0.00013 0.00000 0.00000 0.04912 170 3PY 0.00004 -0.00006 0.00000 0.00000 0.00000 171 3PZ 0.00003 0.00001 0.00000 0.00000 0.00000 172 4XX 0.00002 -0.00009 -0.00100 -0.00848 0.00000 173 4YY -0.00007 0.00000 -0.00121 -0.00258 0.00000 174 4ZZ 0.00000 0.00000 -0.00087 -0.01095 0.00000 175 4XY 0.00002 -0.00002 0.00000 0.00000 0.00000 176 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00001 0.00002 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00043 179 2S 0.00000 0.00000 0.00025 -0.00376 -0.00566 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00009 0.00013 182 20 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 183 2S 0.00001 0.00014 0.00000 0.00009 0.00013 184 21 H 1S 0.00156 0.00134 0.00000 -0.00015 -0.00040 185 2S 0.00023 0.00028 0.00025 -0.00356 -0.00611 186 22 O 1S 0.00000 0.00000 0.00000 -0.00026 -0.00001 187 2S 0.00000 0.00000 -0.00015 0.00379 0.00021 188 2PX 0.00000 0.00001 -0.00002 0.00032 0.01235 189 2PY 0.00000 0.00001 -0.00178 0.04272 0.00169 190 2PZ 0.00000 0.00000 -0.00001 0.00021 -0.00024 191 3S 0.00000 -0.00001 -0.00082 -0.01267 -0.00005 192 3PX 0.00000 0.00010 -0.00006 0.00042 0.02139 193 3PY -0.00004 0.00013 -0.00832 0.06356 0.00139 194 3PZ 0.00000 -0.00001 -0.00004 0.00030 -0.00027 195 4XX 0.00000 0.00000 0.00001 -0.00068 0.00002 196 4YY 0.00000 0.00000 -0.00082 0.00785 0.00032 197 4ZZ 0.00000 0.00000 0.00001 -0.00066 -0.00001 198 4XY 0.00000 0.00000 -0.00002 0.00010 0.00381 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 200 4YZ 0.00000 0.00000 -0.00001 0.00006 -0.00002 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 2PY 0.42606 167 2PZ 0.00000 0.32857 168 3S 0.00000 0.00000 0.22567 169 3PX 0.00000 0.00000 0.00000 0.04066 170 3PY -0.00339 0.00000 0.00000 0.00000 0.03597 171 3PZ 0.00000 0.07015 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 -0.00375 0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00438 0.00000 0.00000 174 4ZZ 0.00000 0.00000 -0.00507 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00002 -0.00020 -0.00293 -0.00144 -0.00055 179 2S 0.00009 -0.00302 -0.00994 -0.00332 -0.00101 180 19 H 1S 0.00000 0.00000 0.00008 0.00007 0.00000 181 2S 0.00012 0.00005 0.00107 0.00067 -0.00001 182 20 H 1S 0.00000 0.00000 0.00009 0.00006 0.00003 183 2S 0.00016 0.00008 0.00128 0.00064 0.00037 184 21 H 1S -0.00002 -0.00023 -0.00262 -0.00034 -0.00053 185 2S 0.00010 -0.00341 -0.01062 -0.00070 -0.00115 186 22 O 1S -0.00198 -0.00001 0.00154 0.00000 0.00027 187 2S 0.02886 0.00018 -0.02282 -0.00005 -0.01433 188 2PX 0.00175 -0.00024 0.00041 0.01758 -0.00030 189 2PY 0.10300 0.00136 0.02216 0.00008 -0.00467 190 2PZ 0.00131 0.01971 0.00015 -0.00007 -0.00011 191 3S 0.00881 -0.00016 -0.07513 -0.00022 -0.02238 192 3PX 0.00150 -0.00027 0.00089 0.03941 -0.00053 193 3PY 0.05542 0.00115 0.04105 0.00013 -0.00172 194 3PZ 0.00119 0.03788 0.00029 -0.00010 -0.00020 195 4XX -0.00094 0.00000 -0.00045 -0.00002 0.00121 196 4YY 0.00968 0.00026 0.00588 0.00006 -0.00155 197 4ZZ -0.00086 0.00001 -0.00056 0.00000 0.00106 198 4XY 0.00028 -0.00002 0.00004 0.00121 -0.00001 199 4XZ 0.00001 0.00004 0.00000 0.00001 0.00000 200 4YZ 0.00019 0.00454 0.00002 -0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 207 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 208 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00014 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 3PZ 0.06508 172 4XX 0.00000 0.00216 173 4YY 0.00000 -0.00040 0.00226 174 4ZZ 0.00000 0.00032 -0.00023 0.00175 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00399 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00034 0.00003 -0.00001 0.00004 -0.00001 179 2S 0.00008 0.00022 -0.00019 0.00057 -0.00006 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00023 0.00000 -0.00001 0.00000 0.00001 182 20 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 183 2S 0.00038 0.00000 -0.00001 0.00000 0.00001 184 21 H 1S -0.00078 0.00005 -0.00001 0.00002 0.00000 185 2S -0.00206 0.00055 -0.00022 0.00025 -0.00005 186 22 O 1S 0.00000 0.00001 -0.00074 0.00000 -0.00002 187 2S 0.00001 -0.00067 0.00815 -0.00056 0.00017 188 2PX -0.00007 0.00010 0.00029 0.00000 0.00738 189 2PY 0.00021 -0.00145 0.00257 -0.00134 0.00036 190 2PZ 0.02349 -0.00001 0.00015 0.00004 0.00006 191 3S -0.00022 -0.00255 0.01163 -0.00197 0.00007 192 3PX -0.00010 -0.00008 0.00025 0.00004 0.00801 193 3PY 0.00029 -0.00439 0.00160 -0.00407 0.00009 194 3PZ 0.05178 -0.00002 0.00013 -0.00003 0.00003 195 4XX 0.00000 0.00007 -0.00013 0.00002 0.00001 196 4YY 0.00008 -0.00024 -0.00002 -0.00025 0.00004 197 4ZZ -0.00002 0.00002 -0.00010 0.00006 0.00000 198 4XY -0.00001 0.00001 0.00003 0.00000 0.00061 199 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00169 0.00000 0.00001 0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 4XZ 0.00058 177 4YZ 0.00000 0.00308 178 18 H 1S 0.00006 0.00000 0.21485 179 2S 0.00020 -0.00003 0.10204 0.13494 180 19 H 1S 0.00000 0.00000 -0.00001 -0.00088 0.21485 181 2S 0.00000 0.00000 -0.00088 -0.00453 0.10204 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00002 0.00000 184 21 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 185 2S 0.00011 -0.00003 0.00000 -0.00015 0.00000 186 22 O 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00009 0.00000 0.00014 0.00000 188 2PX 0.00003 0.00006 0.00000 0.00049 0.00000 189 2PY 0.00002 0.00015 0.00000 -0.00057 0.00000 190 2PZ 0.00004 0.00633 0.00000 0.00028 0.00000 191 3S 0.00001 0.00004 -0.00017 0.00034 0.00000 192 3PX 0.00003 0.00003 -0.00001 0.00308 0.00000 193 3PY 0.00001 0.00003 -0.00023 -0.00276 0.00000 194 3PZ 0.00004 0.00667 -0.00025 0.00159 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00004 0.00000 196 4YY 0.00000 0.00002 0.00000 -0.00010 0.00000 197 4ZZ 0.00000 0.00001 0.00000 0.00004 0.00000 198 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 199 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 200 4YZ 0.00001 0.00064 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00001 -0.00017 207 3PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 208 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00023 209 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00025 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 2S 0.13494 182 20 H 1S 0.00000 0.21460 183 2S -0.00015 0.10248 0.13803 184 21 H 1S 0.00000 -0.00001 -0.00088 0.21460 185 2S 0.00002 -0.00088 -0.00490 0.10248 0.13803 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 187 2S 0.00000 0.00000 0.00000 0.00000 0.00015 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00058 189 2PY 0.00000 0.00000 0.00000 0.00000 -0.00062 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00021 191 3S -0.00001 0.00000 -0.00001 -0.00019 0.00035 192 3PX -0.00002 0.00000 -0.00002 -0.00012 0.00337 193 3PY -0.00002 0.00000 -0.00003 -0.00022 -0.00281 194 3PZ 0.00000 0.00000 -0.00001 -0.00015 0.00141 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00006 196 4YY 0.00000 0.00000 0.00000 0.00000 -0.00011 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 200 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 201 23 O 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 202 2S 0.00014 0.00000 0.00015 0.00000 0.00000 203 2PX 0.00049 0.00000 0.00058 0.00000 0.00000 204 2PY -0.00057 0.00000 -0.00062 0.00000 0.00000 205 2PZ 0.00028 0.00000 0.00021 0.00000 0.00000 206 3S 0.00034 -0.00019 0.00035 0.00000 -0.00001 207 3PX 0.00308 -0.00012 0.00337 0.00000 -0.00002 208 3PY -0.00276 -0.00022 -0.00281 0.00000 -0.00003 209 3PZ 0.00159 -0.00015 0.00141 0.00000 -0.00001 210 4XX 0.00004 0.00000 0.00006 0.00000 0.00000 211 4YY -0.00010 0.00000 -0.00011 0.00000 0.00000 212 4ZZ 0.00004 0.00000 0.00004 0.00000 0.00000 213 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 186 187 188 189 190 186 22 O 1S 2.07880 187 2S -0.04267 0.50275 188 2PX 0.00000 0.00000 0.74001 189 2PY 0.00000 0.00000 0.00000 0.60252 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.64453 191 3S -0.04121 0.45937 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.25586 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.16356 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.21808 195 4XX -0.00040 -0.00581 0.00000 0.00000 0.00000 196 4YY -0.00035 -0.00610 0.00000 0.00000 0.00000 197 4ZZ -0.00043 -0.00475 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 195 191 3S 0.77265 192 3PX 0.00000 0.35396 193 3PY 0.00000 0.00000 0.17852 194 3PZ 0.00000 0.00000 0.00000 0.29554 195 4XX -0.00800 0.00000 0.00000 0.00000 0.00052 196 4YY -0.01682 0.00000 0.00000 0.00000 -0.00005 197 4ZZ -0.00628 0.00000 0.00000 0.00000 0.00014 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00006 0.00042 198 4XY 0.00000 0.00000 0.00185 199 4XZ 0.00000 0.00000 0.00000 0.00006 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00195 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 202 203 204 205 201 23 O 1S 2.07880 202 2S -0.04267 0.50275 203 2PX 0.00000 0.00000 0.74001 204 2PY 0.00000 0.00000 0.00000 0.60252 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.64453 206 3S -0.04121 0.45937 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.25586 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.16356 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.21808 210 4XX -0.00040 -0.00581 0.00000 0.00000 0.00000 211 4YY -0.00035 -0.00610 0.00000 0.00000 0.00000 212 4ZZ -0.00043 -0.00475 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 207 208 209 210 206 3S 0.77265 207 3PX 0.00000 0.35396 208 3PY 0.00000 0.00000 0.17852 209 3PZ 0.00000 0.00000 0.00000 0.29554 210 4XX -0.00800 0.00000 0.00000 0.00000 0.00052 211 4YY -0.01682 0.00000 0.00000 0.00000 -0.00005 212 4ZZ -0.00628 0.00000 0.00000 0.00000 0.00014 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00006 0.00042 213 4XY 0.00000 0.00000 0.00185 214 4XZ 0.00000 0.00000 0.00000 0.00006 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00195 Gross orbital populations: 1 1 1 C 1S 1.99268 2 2S 0.71016 3 2PX 0.63477 4 2PY 0.74987 5 2PZ 0.62105 6 3S 0.61800 7 3PX 0.30488 8 3PY 0.23010 9 3PZ 0.27443 10 4XX -0.01240 11 4YY 0.01450 12 4ZZ -0.01225 13 4XY 0.00565 14 4XZ 0.00618 15 4YZ 0.00832 16 2 C 1S 1.99202 17 2S 0.71244 18 2PX 0.66171 19 2PY 0.75218 20 2PZ 0.65503 21 3S 0.51497 22 3PX 0.26482 23 3PY 0.20136 24 3PZ 0.32593 25 4XX -0.00670 26 4YY 0.00277 27 4ZZ -0.01066 28 4XY 0.00965 29 4XZ 0.00627 30 4YZ 0.00894 31 3 C 1S 1.99202 32 2S 0.71244 33 2PX 0.66171 34 2PY 0.75218 35 2PZ 0.65503 36 3S 0.51497 37 3PX 0.26482 38 3PY 0.20136 39 3PZ 0.32593 40 4XX -0.00670 41 4YY 0.00277 42 4ZZ -0.01066 43 4XY 0.00965 44 4XZ 0.00627 45 4YZ 0.00894 46 4 C 1S 1.99268 47 2S 0.71016 48 2PX 0.63477 49 2PY 0.74987 50 2PZ 0.62105 51 3S 0.61800 52 3PX 0.30488 53 3PY 0.23010 54 3PZ 0.27443 55 4XX -0.01240 56 4YY 0.01450 57 4ZZ -0.01225 58 4XY 0.00565 59 4XZ 0.00618 60 4YZ 0.00832 61 5 H 1S 0.52646 62 2S 0.30580 63 6 H 1S 0.52923 64 2S 0.32574 65 7 H 1S 0.52923 66 2S 0.32574 67 8 H 1S 0.52646 68 2S 0.30580 69 9 C 1S 1.99220 70 2S 0.68619 71 2PX 0.73581 72 2PY 0.67645 73 2PZ 0.71075 74 3S 0.59784 75 3PX 0.35505 76 3PY 0.25504 77 3PZ 0.27521 78 4XX 0.00817 79 4YY -0.00785 80 4ZZ 0.00045 81 4XY 0.00609 82 4XZ 0.01175 83 4YZ 0.01008 84 10 H 1S 0.52766 85 2S 0.30732 86 11 H 1S 0.51601 87 2S 0.30094 88 12 C 1S 1.99267 89 2S 0.69751 90 2PX 0.63961 91 2PY 0.75035 92 2PZ 0.66106 93 3S 0.61614 94 3PX 0.31609 95 3PY 0.19006 96 3PZ 0.35146 97 4XX -0.01128 98 4YY 0.00194 99 4ZZ -0.00625 100 4XY 0.00870 101 4XZ 0.00525 102 4YZ 0.00960 103 13 C 1S 1.99267 104 2S 0.69751 105 2PX 0.63961 106 2PY 0.75035 107 2PZ 0.66106 108 3S 0.61614 109 3PX 0.31609 110 3PY 0.19006 111 3PZ 0.35146 112 4XX -0.01128 113 4YY 0.00194 114 4ZZ -0.00625 115 4XY 0.00870 116 4XZ 0.00525 117 4YZ 0.00960 118 14 C 1S 1.99233 119 2S 0.72860 120 2PX 0.66085 121 2PY 0.73743 122 2PZ 0.57480 123 3S 0.38514 124 3PX 0.15524 125 3PY 0.02520 126 3PZ 0.23247 127 4XX -0.01075 128 4YY 0.01156 129 4ZZ -0.01910 130 4XY 0.03260 131 4XZ 0.00524 132 4YZ 0.02440 133 15 C 1S 1.99202 134 2S 0.71540 135 2PX 0.66494 136 2PY 0.78493 137 2PZ 0.60995 138 3S 0.57185 139 3PX 0.29891 140 3PY 0.17655 141 3PZ 0.34600 142 4XX -0.00554 143 4YY 0.00401 144 4ZZ -0.01446 145 4XY 0.01135 146 4XZ 0.00470 147 4YZ 0.00880 148 16 C 1S 1.99202 149 2S 0.71540 150 2PX 0.66494 151 2PY 0.78493 152 2PZ 0.60995 153 3S 0.57185 154 3PX 0.29891 155 3PY 0.17655 156 3PZ 0.34600 157 4XX -0.00554 158 4YY 0.00401 159 4ZZ -0.01446 160 4XY 0.01135 161 4XZ 0.00470 162 4YZ 0.00880 163 17 C 1S 1.99233 164 2S 0.72860 165 2PX 0.66085 166 2PY 0.73744 167 2PZ 0.57480 168 3S 0.38514 169 3PX 0.15524 170 3PY 0.02520 171 3PZ 0.23247 172 4XX -0.01075 173 4YY 0.01156 174 4ZZ -0.01910 175 4XY 0.03260 176 4XZ 0.00524 177 4YZ 0.02440 178 18 H 1S 0.52858 179 2S 0.30807 180 19 H 1S 0.52858 181 2S 0.30807 182 20 H 1S 0.52716 183 2S 0.31105 184 21 H 1S 0.52716 185 2S 0.31105 186 22 O 1S 1.99244 187 2S 0.90618 188 2PX 1.03001 189 2PY 0.91902 190 2PZ 0.90991 191 3S 1.06530 192 3PX 0.64636 193 3PY 0.44311 194 3PZ 0.58712 195 4XX -0.01416 196 4YY -0.00029 197 4ZZ -0.01180 198 4XY 0.00789 199 4XZ 0.00024 200 4YZ 0.00904 201 23 O 1S 1.99244 202 2S 0.90618 203 2PX 1.03001 204 2PY 0.91902 205 2PZ 0.90991 206 3S 1.06530 207 3PX 0.64636 208 3PY 0.44311 209 3PZ 0.58712 210 4XX -0.01416 211 4YY -0.00029 212 4ZZ -0.01180 213 4XY 0.00789 214 4XZ 0.00024 215 4YZ 0.00904 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.067119 0.520123 -0.050010 -0.073435 0.363843 -0.049467 2 C 0.520123 4.897214 0.533642 -0.050010 -0.038370 0.369829 3 C -0.050010 0.533642 4.897215 0.520123 0.006748 -0.047481 4 C -0.073435 -0.050010 0.520123 5.067121 0.005234 0.006183 5 H 0.363843 -0.038370 0.006748 0.005234 0.550631 -0.003472 6 H -0.049467 0.369829 -0.047481 0.006183 -0.003472 0.576060 7 H 0.006183 -0.047481 0.369829 -0.049467 -0.000106 -0.003230 8 H 0.005234 0.006748 -0.038370 0.363843 -0.000127 -0.000106 9 C 0.366938 -0.070151 -0.070151 0.366938 -0.040171 0.006413 10 H -0.033227 0.005172 0.005172 -0.033227 -0.001116 -0.000116 11 H -0.029553 -0.001910 -0.001910 -0.029553 -0.000433 -0.000173 12 C -0.031489 -0.024389 -0.007264 0.100203 0.001405 -0.000167 13 C 0.100202 -0.007264 -0.024389 -0.031489 -0.018323 -0.000247 14 C -0.002308 0.000363 0.000426 0.000200 0.000712 -0.000049 15 C -0.000192 0.000027 -0.000022 -0.000596 0.000270 0.000002 16 C -0.000596 -0.000022 0.000027 -0.000193 -0.000072 0.000000 17 C 0.000200 0.000426 0.000363 -0.002308 0.000022 0.000006 18 H 0.000950 -0.000266 -0.003049 -0.010125 -0.000059 -0.000030 19 H -0.010125 -0.003049 -0.000266 0.000950 0.000400 0.001006 20 H -0.000003 0.000000 0.000001 0.000003 -0.000011 0.000000 21 H 0.000003 0.000001 0.000000 -0.000003 0.000001 0.000000 22 O 0.000015 -0.000001 0.000081 -0.004465 0.000000 0.000000 23 O -0.004465 0.000081 -0.000001 0.000015 0.005247 0.000001 7 8 9 10 11 12 1 C 0.006183 0.005234 0.366938 -0.033227 -0.029553 -0.031489 2 C -0.047481 0.006748 -0.070151 0.005172 -0.001910 -0.024389 3 C 0.369829 -0.038370 -0.070151 0.005172 -0.001910 -0.007264 4 C -0.049467 0.363843 0.366938 -0.033227 -0.029553 0.100203 5 H -0.000106 -0.000127 -0.040171 -0.001116 -0.000433 0.001405 6 H -0.003230 -0.000106 0.006413 -0.000116 -0.000173 -0.000167 7 H 0.576060 -0.003472 0.006413 -0.000116 -0.000173 -0.000247 8 H -0.003472 0.550630 -0.040171 -0.001116 -0.000433 -0.018323 9 C 0.006413 -0.040171 5.114965 0.361443 0.350665 -0.012468 10 H -0.000116 -0.001116 0.361443 0.554289 -0.029100 -0.004804 11 H -0.000173 -0.000433 0.350665 -0.029100 0.552825 0.003331 12 C -0.000247 -0.018323 -0.012468 -0.004804 0.003331 5.421756 13 C -0.000167 0.001405 -0.012468 -0.004804 0.003331 0.303542 14 C 0.000006 0.000022 -0.005192 -0.000044 0.000066 -0.006522 15 C 0.000000 -0.000072 -0.003434 0.008237 -0.000002 -0.001136 16 C 0.000002 0.000270 -0.003433 0.008237 -0.000002 -0.109487 17 C -0.000049 0.000712 -0.005192 -0.000044 0.000066 0.350936 18 H 0.001006 0.000400 0.001301 0.000173 -0.000033 0.351080 19 H -0.000030 -0.000059 0.001301 0.000173 -0.000033 -0.030754 20 H 0.000000 0.000001 0.000007 0.000023 -0.000001 -0.000714 21 H 0.000000 -0.000011 0.000007 0.000023 -0.000001 0.006805 22 O 0.000001 0.005248 -0.000165 -0.000123 -0.000012 -0.073560 23 O 0.000000 0.000000 -0.000165 -0.000123 -0.000012 0.005181 13 14 15 16 17 18 1 C 0.100202 -0.002308 -0.000192 -0.000596 0.000200 0.000950 2 C -0.007264 0.000363 0.000027 -0.000022 0.000426 -0.000266 3 C -0.024389 0.000426 -0.000022 0.000027 0.000363 -0.003049 4 C -0.031489 0.000200 -0.000596 -0.000193 -0.002308 -0.010125 5 H -0.018323 0.000712 0.000270 -0.000072 0.000022 -0.000059 6 H -0.000247 -0.000049 0.000002 0.000000 0.000006 -0.000030 7 H -0.000167 0.000006 0.000000 0.000002 -0.000049 0.001006 8 H 0.001405 0.000022 -0.000072 0.000270 0.000712 0.000400 9 C -0.012468 -0.005192 -0.003434 -0.003433 -0.005192 0.001301 10 H -0.004804 -0.000044 0.008237 0.008237 -0.000044 0.000173 11 H 0.003331 0.000066 -0.000002 -0.000002 0.000066 -0.000033 12 C 0.303542 -0.006522 -0.001136 -0.109487 0.350936 0.351080 13 C 5.421753 0.350937 -0.109488 -0.001136 -0.006523 -0.030754 14 C 0.350937 4.407489 0.372384 -0.015875 -0.018526 0.002515 15 C -0.109488 0.372384 5.250430 0.415612 -0.015875 -0.000556 16 C -0.001136 -0.015875 0.415612 5.250429 0.372384 0.006352 17 C -0.006523 -0.018526 -0.015875 0.372384 4.407490 -0.031534 18 H -0.030754 0.002515 -0.000556 0.006352 -0.031534 0.553881 19 H 0.351080 -0.031534 0.006352 -0.000556 0.002515 -0.006311 20 H 0.006805 -0.031637 0.342214 -0.034470 0.003337 0.000016 21 H -0.000714 0.003337 -0.034470 0.342214 -0.031637 -0.000153 22 O 0.005181 -0.000067 0.005980 -0.066247 0.509307 0.001894 23 O -0.073559 0.509307 -0.066248 0.005980 -0.000067 -0.000054 19 20 21 22 23 1 C -0.010125 -0.000003 0.000003 0.000015 -0.004465 2 C -0.003049 0.000000 0.000001 -0.000001 0.000081 3 C -0.000266 0.000001 0.000000 0.000081 -0.000001 4 C 0.000950 0.000003 -0.000003 -0.004465 0.000015 5 H 0.000400 -0.000011 0.000001 0.000000 0.005247 6 H 0.001006 0.000000 0.000000 0.000000 0.000001 7 H -0.000030 0.000000 0.000000 0.000001 0.000000 8 H -0.000059 0.000001 -0.000011 0.005248 0.000000 9 C 0.001301 0.000007 0.000007 -0.000165 -0.000165 10 H 0.000173 0.000023 0.000023 -0.000123 -0.000123 11 H -0.000033 -0.000001 -0.000001 -0.000012 -0.000012 12 C -0.030754 -0.000714 0.006805 -0.073560 0.005181 13 C 0.351080 0.006805 -0.000714 0.005181 -0.073559 14 C -0.031534 -0.031637 0.003337 -0.000067 0.509307 15 C 0.006352 0.342214 -0.034470 0.005980 -0.066248 16 C -0.000556 -0.034470 0.342214 -0.066247 0.005980 17 C 0.002515 0.003337 -0.031637 0.509307 -0.000067 18 H -0.006311 0.000016 -0.000153 0.001894 -0.000054 19 H 0.553881 -0.000153 0.000016 -0.000054 0.001894 20 H -0.000153 0.557602 -0.006676 -0.000069 0.001936 21 H 0.000016 -0.006676 0.557602 0.001936 -0.000069 22 O -0.000054 -0.000069 0.001936 8.105481 0.000000 23 O 0.001894 0.001936 -0.000069 0.000000 8.105481 Mulliken charges: 1 1 C -0.145940 2 C -0.090713 3 C -0.090713 4 C -0.145941 5 H 0.167748 6 H 0.145039 7 H 0.145039 8 H 0.167748 9 C -0.313229 10 H 0.165019 11 H 0.183052 12 C -0.222914 13 C -0.222913 14 C 0.463990 15 C -0.169415 16 C -0.169415 17 C 0.463990 18 H 0.163355 19 H 0.163355 20 H 0.161790 21 H 0.161790 22 O -0.490361 23 O -0.490361 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021807 2 C 0.054326 3 C 0.054326 4 C 0.021807 9 C 0.034842 12 C -0.059560 13 C -0.059559 14 C 0.463990 15 C -0.007625 16 C -0.007625 17 C 0.463990 22 O -0.490361 23 O -0.490361 APT charges: 1 1 C 0.070453 2 C -0.063387 3 C -0.063386 4 C 0.070450 5 H 0.026066 6 H 0.051541 7 H 0.051541 8 H 0.026067 9 C -0.040726 10 H 0.030720 11 H 0.010306 12 C -0.185458 13 C -0.185463 14 C 0.846227 15 C -0.085536 16 C -0.085538 17 C 0.846225 18 H 0.004372 19 H 0.004373 20 H 0.029585 21 H 0.029585 22 O -0.694006 23 O -0.694008 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.096520 2 C -0.011847 3 C -0.011846 4 C 0.096517 9 C 0.000300 12 C -0.181086 13 C -0.181091 14 C 0.846227 15 C -0.055951 16 C -0.055953 17 C 0.846225 22 O -0.694006 23 O -0.694008 Electronic spatial extent (au): = 1993.8834 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 2.5107 Y= 0.0000 Z= 1.1649 Tot= 2.7678 Quadrupole moment (field-independent basis, Debye-Ang): XX= -68.9508 YY= -90.6806 ZZ= -70.3688 XY= -0.0001 XZ= -4.5498 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 7.7159 YY= -14.0138 ZZ= 6.2979 XY= -0.0001 XZ= -4.5498 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -11.2791 YYY= -0.0002 ZZZ= -1.8591 XYY= 30.8286 XXY= 0.0003 XXZ= 0.1910 XZZ= -0.3448 YZZ= 0.0000 YYZ= 8.5111 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1303.3014 YYYY= -1092.3228 ZZZZ= -303.9683 XXXY= -0.0005 XXXZ= -54.6643 YYYX= -0.0008 YYYZ= 0.0000 ZZZX= 2.3987 ZZZY= 0.0000 XXYY= -393.5395 XXZZ= -261.9373 YYZZ= -198.7467 XXYZ= 0.0000 YYXZ= -16.8238 ZZXY= 0.0001 N-N= 7.675011894626D+02 E-N=-2.873719205201D+03 KE= 5.702133614164D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.137345 29.025507 2 O -19.137343 29.027137 3 O -10.278265 15.887670 4 O -10.278256 15.885531 5 O -10.223330 15.889081 6 O -10.223318 15.885950 7 O -10.217009 15.873226 8 O -10.216191 15.886674 9 O -10.208975 15.884107 10 O -10.207982 15.880656 11 O -10.207487 15.891915 12 O -10.206573 15.876058 13 O -10.206033 15.886358 14 O -1.035184 2.601316 15 O -1.033149 2.647634 16 O -0.887255 1.405112 17 O -0.835756 1.605848 18 O -0.768650 1.597241 19 O -0.727940 1.499268 20 O -0.724869 1.554665 21 O -0.687818 1.854462 22 O -0.623589 1.423491 23 O -0.587541 1.453496 24 O -0.574087 1.441324 25 O -0.548062 1.327110 26 O -0.535743 0.979489 27 O -0.491684 1.478208 28 O -0.486295 1.487520 29 O -0.473971 1.137957 30 O -0.469225 1.615785 31 O -0.441793 1.216129 32 O -0.419130 2.109736 33 O -0.409269 1.376846 34 O -0.405320 1.371243 35 O -0.399475 1.748683 36 O -0.394841 1.477324 37 O -0.389560 1.497311 38 O -0.388672 1.571487 39 O -0.381031 1.517723 40 O -0.372704 1.398659 41 O -0.334446 1.092065 42 O -0.287413 1.551053 43 O -0.255985 1.740920 44 O -0.255767 2.381585 45 O -0.250084 1.350999 46 O -0.243505 1.815124 47 V -0.099900 1.794267 48 V -0.036825 1.469414 49 V -0.012993 1.442204 50 V 0.035312 1.907628 51 V 0.067509 1.580799 52 V 0.095223 0.963379 53 V 0.104858 0.998418 54 V 0.128234 1.011413 55 V 0.132381 1.017285 56 V 0.135365 1.663267 57 V 0.151712 1.115874 58 V 0.155902 1.254863 59 V 0.159622 1.248926 60 V 0.170055 1.057811 61 V 0.170791 1.246494 62 V 0.187440 1.899206 63 V 0.192155 1.432265 64 V 0.210974 1.414037 65 V 0.220119 1.581655 66 V 0.253512 1.672585 67 V 0.282480 1.408784 68 V 0.294611 1.808576 69 V 0.299804 1.832734 70 V 0.322636 1.552292 71 V 0.342745 2.134152 72 V 0.363890 1.969334 73 V 0.398552 2.420080 74 V 0.458336 2.345148 75 V 0.466964 1.680414 76 V 0.479566 2.194589 77 V 0.496064 1.896233 78 V 0.519998 2.107543 79 V 0.521273 1.893587 80 V 0.530364 2.093337 81 V 0.536410 1.931701 82 V 0.554660 1.975946 83 V 0.572752 2.173958 84 V 0.578291 2.558645 85 V 0.586704 1.997824 86 V 0.592852 2.126489 87 V 0.610794 2.307586 88 V 0.624698 2.211971 89 V 0.638988 2.296342 90 V 0.652152 2.831856 91 V 0.654998 2.967037 92 V 0.676413 2.511239 93 V 0.679427 2.622622 94 V 0.685104 2.516795 95 V 0.721880 2.428406 96 V 0.739583 2.365782 97 V 0.739805 2.382248 98 V 0.788664 2.931851 99 V 0.797019 2.483852 100 V 0.803452 2.448093 101 V 0.819800 2.613930 102 V 0.824803 2.454377 103 V 0.824893 2.588454 104 V 0.827160 2.776485 105 V 0.834292 2.882076 106 V 0.847996 2.727526 107 V 0.861103 2.534067 108 V 0.881856 2.561891 109 V 0.883978 2.591277 110 V 0.893402 2.607377 111 V 0.910016 2.481052 112 V 0.913870 2.471910 113 V 0.931836 2.568391 114 V 0.948438 2.494635 115 V 0.985706 2.570632 116 V 1.014999 2.353351 117 V 1.025558 2.601098 118 V 1.037874 2.574167 119 V 1.046491 3.228516 120 V 1.058930 2.915253 121 V 1.061358 2.931929 122 V 1.094915 2.505430 123 V 1.115920 3.077571 124 V 1.149297 2.333213 125 V 1.169238 2.297672 126 V 1.209425 2.314051 127 V 1.222010 2.498692 128 V 1.224161 2.391059 129 V 1.230767 2.510115 130 V 1.272853 2.492525 131 V 1.321124 2.705211 132 V 1.325618 2.501643 133 V 1.391834 2.656540 134 V 1.402261 2.563712 135 V 1.409362 2.586607 136 V 1.434769 2.639481 137 V 1.446577 2.641634 138 V 1.461066 2.680102 139 V 1.470676 2.795425 140 V 1.514186 2.726476 141 V 1.522606 2.696345 142 V 1.583820 2.880016 143 V 1.637843 2.893610 144 V 1.644697 2.885353 145 V 1.662482 2.914697 146 V 1.702079 3.201229 147 V 1.770049 2.853067 148 V 1.772056 3.004923 149 V 1.797978 3.077025 150 V 1.827337 3.074139 151 V 1.838564 3.120993 152 V 1.846053 3.179141 153 V 1.876098 3.222092 154 V 1.891397 3.158268 155 V 1.895696 3.456140 156 V 1.897912 3.347350 157 V 1.909431 3.058983 158 V 1.931265 3.222817 159 V 1.956974 3.344070 160 V 1.983255 3.381735 161 V 1.989647 3.805479 162 V 2.033495 3.419553 163 V 2.050742 3.426205 164 V 2.060644 3.638088 165 V 2.070079 3.367266 166 V 2.074421 3.493857 167 V 2.090484 3.487304 168 V 2.114826 3.561628 169 V 2.130148 3.542330 170 V 2.179979 3.670628 171 V 2.188492 3.548196 172 V 2.227190 3.576413 173 V 2.256159 3.601184 174 V 2.256533 3.608675 175 V 2.283200 3.583849 176 V 2.306525 3.768115 177 V 2.324345 3.768608 178 V 2.375467 3.723741 179 V 2.375885 3.778663 180 V 2.403827 3.753237 181 V 2.451565 4.029627 182 V 2.452850 3.831920 183 V 2.524109 4.157464 184 V 2.573125 4.037962 185 V 2.583270 3.993924 186 V 2.593823 3.881859 187 V 2.614058 4.262417 188 V 2.623760 4.571969 189 V 2.638395 4.092557 190 V 2.661810 4.436317 191 V 2.664524 4.202748 192 V 2.690046 4.196217 193 V 2.712905 4.525684 194 V 2.763475 4.506655 195 V 2.843907 4.551296 196 V 2.920971 4.773255 197 V 2.950860 4.473545 198 V 2.964448 4.606649 199 V 2.975268 5.025646 200 V 3.023893 5.012880 201 V 3.183233 4.869202 202 V 3.251688 5.165136 203 V 4.030952 10.142397 204 V 4.037752 10.534651 205 V 4.103158 10.245477 206 V 4.167930 10.228656 207 V 4.220674 10.334479 208 V 4.318736 10.335122 209 V 4.359324 10.541669 210 V 4.363583 10.876739 211 V 4.461126 10.564076 212 V 4.520920 10.462156 213 V 4.637475 10.767429 214 V 4.641690 11.162905 215 V 4.909973 11.636572 Total kinetic energy from orbitals= 5.702133614164D+02 Exact polarizability: 142.216 0.000 138.833 -6.836 0.000 82.110 Approx polarizability: 235.932 0.001 305.295 -1.198 0.000 133.737 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 --- -440.9014 -5.7379 -4.0279 -0.0007 0.0003 0.0006 Low frequencies --- 6.1086 79.4354 97.8576 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 24.7913646 12.9927702 25.9620864 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 -- -440.9013 79.4321 97.8573 Red. masses -- 9.8010 4.0491 8.1717 Frc consts -- 1.1225 0.0151 0.0461 IR Inten -- 0.4891 0.2828 12.0954 Atom AN X Y Z X Y Z X Y Z 1 6 0.35 -0.05 0.25 -0.04 0.08 0.19 0.02 0.00 0.06 2 6 -0.01 -0.06 0.04 -0.03 -0.09 0.11 0.02 0.00 0.05 3 6 -0.01 0.06 0.04 0.03 -0.09 -0.11 0.02 0.00 0.05 4 6 0.35 0.05 0.25 0.04 0.08 -0.19 0.02 0.00 0.06 5 1 0.13 -0.04 0.11 -0.09 0.12 0.34 0.05 0.00 0.07 6 1 -0.08 -0.02 -0.07 -0.05 -0.22 0.22 0.02 0.00 0.05 7 1 -0.08 0.02 -0.07 0.05 -0.22 -0.22 0.02 0.00 0.05 8 1 0.13 0.04 0.11 0.09 0.12 -0.34 0.05 0.00 0.07 9 6 0.03 0.00 0.00 0.00 0.23 0.00 0.03 0.00 0.06 10 1 -0.03 0.00 -0.18 0.00 0.32 0.00 0.04 0.00 0.07 11 1 -0.18 0.00 0.17 0.00 0.35 0.00 0.04 0.00 0.05 12 6 -0.32 -0.10 -0.31 -0.01 0.00 0.00 0.03 0.00 0.03 13 6 -0.32 0.10 -0.31 0.01 0.00 0.00 0.03 0.00 0.03 14 6 -0.05 0.02 -0.03 -0.01 -0.03 -0.06 -0.01 0.02 -0.03 15 6 -0.02 0.00 0.02 0.00 -0.06 -0.03 0.19 0.00 0.25 16 6 -0.02 0.00 0.02 0.00 -0.06 0.03 0.19 0.00 0.25 17 6 -0.05 -0.02 -0.03 0.01 -0.03 0.06 -0.01 -0.02 -0.03 18 1 0.08 0.04 0.02 -0.08 0.00 -0.04 0.03 -0.01 0.02 19 1 0.08 -0.04 0.02 0.08 0.00 0.04 0.03 0.01 0.02 20 1 0.02 0.00 0.06 -0.01 -0.08 -0.05 0.28 0.00 0.37 21 1 0.02 0.00 0.06 0.01 -0.08 0.05 0.28 0.00 0.37 22 8 0.02 0.00 0.02 0.03 -0.02 0.16 -0.23 -0.06 -0.32 23 8 0.02 0.00 0.02 -0.03 -0.02 -0.16 -0.23 0.06 -0.32 4 5 6 A A A Frequencies -- 121.3068 157.3282 179.1532 Red. masses -- 5.3207 5.1012 6.4784 Frc consts -- 0.0461 0.0744 0.1225 IR Inten -- 1.6791 0.2290 3.7932 Atom AN X Y Z X Y Z X Y Z 1 6 0.22 0.01 0.06 0.17 0.00 0.03 -0.23 0.16 -0.19 2 6 0.12 0.16 0.02 0.10 0.00 -0.07 -0.10 0.12 -0.08 3 6 -0.12 0.16 -0.02 0.10 0.00 -0.07 0.10 0.12 0.08 4 6 -0.22 0.01 -0.06 0.17 0.00 0.03 0.23 0.16 0.19 5 1 0.36 -0.01 0.07 0.20 0.00 0.05 -0.19 0.16 -0.16 6 1 0.23 0.25 0.04 0.04 0.00 -0.13 -0.20 0.10 -0.16 7 1 -0.23 0.25 -0.04 0.04 0.00 -0.13 0.20 0.10 0.16 8 1 -0.36 -0.01 -0.07 0.20 0.00 0.05 0.19 0.16 0.16 9 6 0.00 -0.03 0.00 0.24 0.00 0.06 0.00 0.12 0.00 10 1 0.00 -0.21 0.00 0.26 0.00 0.12 0.00 0.29 0.00 11 1 0.00 0.17 0.00 0.30 0.00 0.01 0.00 -0.19 0.00 12 6 0.03 -0.12 0.00 0.03 0.00 0.17 -0.08 -0.13 -0.12 13 6 -0.03 -0.12 0.00 0.03 0.00 0.17 0.08 -0.13 0.12 14 6 -0.08 -0.04 -0.01 -0.08 0.01 0.03 -0.06 -0.09 0.05 15 6 -0.03 0.03 0.01 -0.19 0.00 -0.11 -0.03 -0.05 0.03 16 6 0.03 0.03 -0.01 -0.19 0.00 -0.11 0.03 -0.05 -0.03 17 6 0.08 -0.04 0.01 -0.08 -0.01 0.03 0.06 -0.09 -0.05 18 1 0.01 -0.16 -0.04 0.03 -0.01 0.17 0.04 -0.17 -0.08 19 1 -0.01 -0.16 0.04 0.03 0.01 0.17 -0.04 -0.17 0.08 20 1 -0.06 0.07 0.01 -0.29 0.00 -0.24 -0.06 0.00 0.04 21 1 0.06 0.07 -0.01 -0.29 0.00 -0.24 0.06 0.00 -0.04 22 8 0.23 -0.03 0.06 -0.12 -0.02 -0.05 0.15 -0.07 0.05 23 8 -0.23 -0.03 -0.06 -0.12 0.02 -0.05 -0.15 -0.07 -0.05 7 8 9 A A A Frequencies -- 255.6695 278.1196 416.6961 Red. masses -- 3.6633 4.3665 8.9548 Frc consts -- 0.1411 0.1990 0.9161 IR Inten -- 1.5027 0.1548 27.2506 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.00 -0.12 0.01 -0.03 0.00 0.00 0.00 0.05 2 6 0.23 0.00 0.12 0.00 -0.03 0.00 -0.02 0.01 0.00 3 6 0.23 0.00 0.12 0.00 -0.03 0.00 -0.02 -0.01 0.00 4 6 0.03 0.00 -0.12 -0.01 -0.03 0.00 0.00 0.00 0.05 5 1 0.01 0.00 -0.14 0.02 -0.03 0.00 0.03 0.00 0.08 6 1 0.42 0.00 0.32 0.01 -0.03 0.00 -0.07 0.00 -0.05 7 1 0.42 0.00 0.32 -0.01 -0.03 0.00 -0.07 0.00 -0.05 8 1 0.01 0.00 -0.14 -0.02 -0.03 0.00 0.03 0.00 0.08 9 6 -0.09 0.00 -0.17 0.00 -0.03 0.00 0.09 0.00 0.10 10 1 -0.13 0.00 -0.29 0.00 -0.03 0.00 0.14 0.00 0.23 11 1 -0.19 0.00 -0.09 0.00 -0.02 0.00 0.22 0.00 0.00 12 6 -0.04 0.01 -0.03 -0.03 0.01 -0.01 0.12 0.05 -0.13 13 6 -0.04 -0.01 -0.03 0.03 0.01 0.01 0.12 -0.05 -0.13 14 6 -0.05 0.01 0.02 0.11 0.01 0.11 0.04 -0.06 -0.12 15 6 -0.03 0.00 0.03 0.20 -0.01 0.26 0.20 0.02 -0.16 16 6 -0.03 0.00 0.03 -0.20 -0.01 -0.26 0.20 -0.02 -0.16 17 6 -0.05 -0.01 0.02 -0.11 0.01 -0.11 0.04 0.06 -0.12 18 1 -0.09 0.00 -0.07 0.00 0.00 -0.01 0.20 -0.01 -0.13 19 1 -0.09 0.00 -0.07 0.00 0.00 0.01 0.20 0.01 -0.13 20 1 -0.02 -0.01 0.04 0.37 -0.02 0.46 0.24 0.04 -0.09 21 1 -0.02 0.01 0.04 -0.37 -0.02 -0.46 0.24 -0.04 -0.09 22 8 -0.08 -0.01 0.05 0.04 0.04 0.09 -0.32 0.06 0.24 23 8 -0.08 0.01 0.05 -0.04 0.04 -0.09 -0.32 -0.06 0.24 10 11 12 A A A Frequencies -- 445.6860 448.2362 475.0984 Red. masses -- 5.4047 7.7246 2.2862 Frc consts -- 0.6325 0.9144 0.3040 IR Inten -- 1.5131 1.1760 0.1357 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.06 0.02 -0.03 0.00 -0.03 -0.08 0.00 -0.04 2 6 -0.10 0.03 -0.08 0.05 0.00 0.04 0.02 0.00 0.07 3 6 0.10 0.03 0.08 0.05 0.00 0.04 0.02 0.00 0.07 4 6 0.01 0.06 -0.02 -0.03 0.00 -0.03 -0.08 0.00 -0.04 5 1 -0.09 0.07 -0.03 0.00 0.00 -0.01 -0.10 0.00 -0.05 6 1 -0.20 0.01 -0.16 0.13 0.00 0.13 0.08 0.01 0.13 7 1 0.20 0.01 0.16 0.13 0.00 0.13 0.08 -0.01 0.13 8 1 0.09 0.07 0.03 0.00 0.00 -0.01 -0.10 0.00 -0.05 9 6 0.00 0.08 0.00 0.11 0.00 0.05 0.18 0.00 0.10 10 1 0.00 0.08 0.00 0.18 0.00 0.25 0.33 0.00 0.53 11 1 0.00 0.07 0.00 0.31 0.00 -0.11 0.59 0.00 -0.21 12 6 0.23 0.07 0.27 -0.17 0.03 0.08 -0.04 -0.01 -0.08 13 6 -0.23 0.07 -0.27 -0.17 -0.03 0.08 -0.04 0.01 -0.08 14 6 -0.06 -0.05 -0.08 -0.07 -0.30 -0.03 -0.05 0.06 -0.05 15 6 0.05 -0.08 0.07 0.07 -0.03 -0.03 -0.04 0.00 0.02 16 6 -0.05 -0.08 -0.07 0.07 0.03 -0.03 -0.04 0.00 0.02 17 6 0.06 -0.05 0.08 -0.07 0.30 -0.03 -0.05 -0.06 -0.05 18 1 0.20 0.18 0.33 -0.09 -0.15 0.00 -0.06 0.04 -0.07 19 1 -0.20 0.18 -0.33 -0.09 0.15 0.00 -0.06 -0.04 -0.07 20 1 0.12 -0.09 0.15 0.07 0.17 0.20 0.05 -0.04 0.09 21 1 -0.12 -0.09 -0.15 0.07 -0.17 0.20 0.05 0.04 0.09 22 8 0.07 -0.07 -0.09 0.05 0.33 -0.07 0.04 -0.06 0.01 23 8 -0.07 -0.07 0.09 0.05 -0.33 -0.07 0.04 0.06 0.01 13 14 15 A A A Frequencies -- 475.7553 563.1297 589.4449 Red. masses -- 5.0338 2.9116 2.2058 Frc consts -- 0.6713 0.5440 0.4516 IR Inten -- 0.7307 0.3044 0.4628 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.01 -0.02 -0.09 0.02 -0.10 -0.03 -0.01 -0.01 2 6 0.02 -0.01 0.03 0.15 0.01 0.18 -0.02 0.00 0.02 3 6 -0.02 -0.01 -0.03 -0.15 0.01 -0.18 -0.02 0.00 0.02 4 6 0.03 0.01 0.02 0.09 0.02 0.10 -0.03 0.01 -0.01 5 1 -0.02 0.01 0.00 -0.08 0.02 -0.07 -0.04 -0.01 -0.02 6 1 0.03 -0.02 0.05 0.38 -0.01 0.43 0.02 0.00 0.06 7 1 -0.03 -0.02 -0.05 -0.38 -0.01 -0.43 0.02 0.00 0.06 8 1 0.02 0.01 0.00 0.08 0.02 0.07 -0.04 0.01 -0.02 9 6 0.00 0.00 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 10 1 0.00 0.03 0.00 0.00 0.11 0.00 0.08 0.00 0.15 11 1 0.00 -0.06 0.00 0.00 -0.28 0.00 0.15 0.00 -0.10 12 6 -0.19 -0.05 0.09 0.04 0.04 0.04 -0.05 -0.01 -0.06 13 6 0.19 -0.05 -0.09 -0.04 0.04 -0.04 -0.05 0.01 -0.06 14 6 0.17 0.01 -0.15 -0.05 -0.01 -0.01 0.13 -0.02 0.16 15 6 0.16 0.03 -0.13 -0.01 -0.04 0.04 0.04 0.00 -0.01 16 6 -0.16 0.03 0.13 0.01 -0.04 -0.04 0.04 0.00 -0.01 17 6 -0.17 0.01 0.15 0.05 -0.01 0.01 0.13 0.02 0.16 18 1 -0.30 0.15 0.17 0.09 0.08 0.09 -0.15 -0.01 -0.12 19 1 0.29 0.15 -0.17 -0.09 0.08 -0.09 -0.15 0.01 -0.12 20 1 0.29 -0.22 -0.23 0.00 -0.02 0.06 -0.34 0.02 -0.50 21 1 -0.29 -0.22 0.23 0.00 -0.02 -0.06 -0.34 -0.02 -0.50 22 8 0.13 0.02 -0.11 0.01 -0.01 -0.02 -0.04 0.00 -0.04 23 8 -0.13 0.02 0.11 -0.01 -0.01 0.02 -0.04 0.00 -0.04 16 17 18 A A A Frequencies -- 627.5819 761.1138 772.5320 Red. masses -- 6.0769 3.5194 3.6226 Frc consts -- 1.4102 1.2012 1.2738 IR Inten -- 0.2797 19.4580 0.7858 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 0.02 -0.03 0.00 0.10 -0.01 0.03 0.01 0.01 2 6 0.01 0.02 0.03 0.09 0.02 -0.02 0.03 -0.03 -0.01 3 6 -0.01 0.02 -0.03 0.09 -0.02 -0.02 -0.03 -0.03 0.01 4 6 0.04 0.02 0.03 0.00 -0.10 -0.01 -0.03 0.01 -0.01 5 1 0.00 0.03 0.03 -0.04 0.07 -0.16 -0.15 0.01 -0.12 6 1 0.03 0.01 0.07 -0.23 -0.04 -0.28 -0.01 -0.01 -0.07 7 1 -0.03 0.01 -0.07 -0.23 0.04 -0.28 0.01 -0.01 0.07 8 1 0.00 0.03 -0.03 -0.04 -0.07 -0.16 0.15 0.01 0.12 9 6 0.00 0.03 0.00 -0.02 0.00 0.20 0.00 -0.01 0.00 10 1 0.00 0.09 0.00 -0.13 0.00 -0.09 0.00 -0.10 0.00 11 1 0.00 -0.11 0.00 -0.24 0.00 0.36 0.00 0.13 0.00 12 6 0.03 -0.25 0.14 0.11 0.05 -0.14 -0.07 0.18 -0.07 13 6 -0.03 -0.25 -0.14 0.11 -0.05 -0.14 0.07 0.18 0.07 14 6 -0.01 -0.04 -0.08 0.00 -0.06 0.00 -0.03 -0.12 -0.07 15 6 0.06 0.30 0.01 -0.12 -0.02 0.12 0.00 0.13 0.05 16 6 -0.06 0.30 -0.01 -0.12 0.02 0.12 0.00 0.13 -0.05 17 6 0.01 -0.04 0.08 0.00 0.06 0.00 0.03 -0.12 0.07 18 1 0.07 -0.22 0.19 -0.02 0.09 -0.20 -0.30 0.34 -0.09 19 1 -0.07 -0.22 -0.19 -0.02 -0.09 -0.20 0.30 0.34 0.09 20 1 0.05 0.39 0.11 -0.23 -0.07 -0.06 -0.05 0.31 0.16 21 1 -0.05 0.39 -0.11 -0.23 0.07 -0.06 0.05 0.31 -0.16 22 8 -0.15 -0.06 0.08 0.00 0.07 -0.01 0.02 -0.16 -0.01 23 8 0.15 -0.06 -0.08 0.00 -0.07 -0.01 -0.02 -0.16 0.01 19 20 21 A A A Frequencies -- 780.4976 795.3885 805.6403 Red. masses -- 2.3161 6.7767 2.3108 Frc consts -- 0.8313 2.5260 0.8837 IR Inten -- 11.5937 0.0383 1.9883 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.07 0.04 -0.03 -0.01 -0.01 0.08 0.09 -0.05 2 6 -0.08 0.00 -0.01 -0.03 0.02 0.03 0.13 -0.11 -0.05 3 6 -0.08 0.00 -0.01 0.03 0.02 -0.03 -0.13 -0.11 0.05 4 6 0.00 0.07 0.04 0.03 -0.01 0.01 -0.08 0.09 0.05 5 1 0.26 -0.04 0.37 0.11 -0.03 0.05 -0.49 0.13 -0.30 6 1 0.23 0.02 0.28 0.03 -0.02 0.14 0.05 -0.03 -0.22 7 1 0.23 -0.02 0.28 -0.03 -0.02 -0.14 -0.05 -0.03 0.22 8 1 0.26 0.04 0.37 -0.11 -0.03 -0.05 0.49 0.13 0.30 9 6 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 0.09 0.00 10 1 0.09 0.00 0.08 0.00 0.11 0.00 0.00 -0.14 0.00 11 1 0.19 0.00 -0.28 0.00 -0.15 0.00 0.00 0.18 0.00 12 6 0.11 0.03 -0.07 0.08 0.09 0.12 0.03 -0.03 0.01 13 6 0.11 -0.03 -0.07 -0.08 0.09 -0.12 -0.03 -0.03 -0.01 14 6 0.00 -0.04 -0.01 0.27 -0.10 0.31 0.03 0.01 0.04 15 6 -0.09 -0.01 0.08 -0.07 0.09 -0.14 0.00 -0.01 -0.02 16 6 -0.09 0.01 0.08 0.07 0.09 0.14 0.00 -0.01 0.02 17 6 0.00 0.04 -0.01 -0.27 -0.10 -0.31 -0.03 0.01 -0.04 18 1 0.14 0.07 -0.02 0.13 0.11 0.16 0.00 -0.09 -0.04 19 1 0.14 -0.07 -0.02 -0.13 0.11 -0.16 0.00 -0.09 0.04 20 1 -0.11 -0.06 0.02 -0.21 0.15 -0.26 0.00 -0.03 -0.05 21 1 -0.11 0.06 0.02 0.21 0.15 0.26 0.00 -0.03 0.05 22 8 0.00 0.05 0.00 0.07 -0.07 0.07 0.00 0.01 0.01 23 8 0.00 -0.05 0.00 -0.07 -0.07 -0.07 0.00 0.01 -0.01 22 23 24 A A A Frequencies -- 809.9072 845.5961 853.5548 Red. masses -- 1.7051 1.7275 1.4633 Frc consts -- 0.6590 0.7278 0.6281 IR Inten -- 39.6484 4.8514 4.9422 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.10 -0.01 -0.01 -0.02 0.08 0.00 0.03 -0.01 2 6 -0.01 -0.02 0.10 -0.04 0.08 0.10 0.00 0.00 -0.03 3 6 -0.01 0.02 0.10 0.04 0.08 -0.10 0.00 0.00 -0.03 4 6 0.01 0.10 -0.01 0.01 -0.02 -0.08 0.00 -0.03 -0.01 5 1 -0.32 -0.09 -0.20 -0.41 -0.07 -0.45 -0.07 0.03 -0.08 6 1 -0.30 0.14 -0.38 -0.21 0.02 -0.01 0.08 -0.05 0.10 7 1 -0.30 -0.14 -0.38 0.21 0.02 0.01 0.08 0.05 0.10 8 1 -0.32 0.09 -0.20 0.41 -0.07 0.45 -0.07 -0.03 -0.08 9 6 0.06 0.00 -0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 10 1 0.07 0.00 -0.08 0.00 -0.07 0.00 0.00 0.00 0.03 11 1 0.06 0.00 -0.12 0.00 0.13 0.00 0.02 0.00 -0.02 12 6 0.03 -0.01 0.00 0.03 -0.02 -0.01 -0.02 -0.01 0.02 13 6 0.03 0.01 0.00 -0.03 -0.02 0.01 -0.02 0.01 0.02 14 6 0.00 -0.01 0.00 0.01 0.01 0.00 -0.05 0.01 -0.08 15 6 -0.02 0.00 0.02 0.02 0.00 -0.01 0.06 0.00 0.07 16 6 -0.02 0.00 0.02 -0.02 0.00 0.01 0.06 0.00 0.07 17 6 0.00 0.01 0.00 -0.01 0.01 0.00 -0.05 -0.01 -0.08 18 1 0.18 0.02 0.11 -0.10 -0.09 -0.13 0.34 0.06 0.28 19 1 0.18 -0.02 0.11 0.10 -0.09 0.13 0.34 -0.06 0.28 20 1 -0.04 -0.01 -0.01 0.03 -0.03 -0.03 -0.29 0.00 -0.41 21 1 -0.04 0.01 -0.01 -0.03 -0.03 0.03 -0.29 0.00 -0.41 22 8 -0.01 0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.02 23 8 -0.01 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.02 25 26 27 A A A Frequencies -- 898.2533 917.0456 932.2766 Red. masses -- 1.4000 1.7266 2.5643 Frc consts -- 0.6655 0.8555 1.3131 IR Inten -- 37.3720 4.4967 19.4865 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.05 -0.01 -0.01 0.13 0.03 -0.01 0.02 -0.03 2 6 -0.02 -0.01 -0.03 0.07 0.00 0.02 -0.02 -0.01 -0.04 3 6 -0.02 0.01 -0.03 0.07 0.00 0.02 0.02 -0.01 0.04 4 6 0.01 -0.05 -0.01 -0.01 -0.13 0.03 0.01 0.02 0.03 5 1 -0.20 0.03 -0.25 0.09 0.18 0.31 0.10 0.02 0.08 6 1 0.10 -0.10 0.18 -0.31 -0.12 -0.24 0.17 -0.02 0.18 7 1 0.10 0.10 0.18 -0.31 0.12 -0.24 -0.17 -0.02 -0.18 8 1 -0.20 -0.03 -0.25 0.09 -0.18 0.31 -0.10 0.02 -0.08 9 6 -0.03 0.00 0.02 -0.09 0.00 -0.12 0.00 0.00 0.00 10 1 0.00 0.00 0.12 0.06 0.00 0.29 0.00 0.02 0.00 11 1 0.08 0.00 -0.06 0.28 0.00 -0.39 0.00 -0.15 0.00 12 6 0.00 -0.02 -0.03 -0.01 0.00 0.00 0.16 0.04 -0.10 13 6 0.00 0.02 -0.03 -0.01 0.00 0.00 -0.16 0.04 0.10 14 6 0.06 -0.02 0.07 0.00 0.00 0.01 -0.01 0.00 -0.02 15 6 -0.05 0.00 -0.03 0.00 0.00 -0.01 0.14 0.04 -0.09 16 6 -0.05 0.00 -0.03 0.00 0.00 -0.01 -0.14 0.04 0.09 17 6 0.06 0.02 0.07 0.00 0.00 0.01 0.01 0.00 0.02 18 1 0.37 0.11 0.28 0.06 0.03 0.06 -0.08 -0.23 -0.42 19 1 0.37 -0.11 0.28 0.06 -0.03 0.06 0.08 -0.23 0.42 20 1 0.16 -0.02 0.24 0.02 0.01 0.03 0.23 -0.14 -0.16 21 1 0.16 0.02 0.24 0.02 -0.01 0.03 -0.23 -0.14 0.16 22 8 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.03 0.00 23 8 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.03 0.00 28 29 30 A A A Frequencies -- 968.0158 983.7915 984.0549 Red. masses -- 1.3908 1.7125 1.8460 Frc consts -- 0.7679 0.9765 1.0532 IR Inten -- 12.2366 1.5652 1.3444 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.02 0.02 0.01 0.14 0.02 0.04 -0.09 -0.03 2 6 -0.08 0.00 -0.09 -0.02 -0.02 0.02 0.02 0.02 -0.01 3 6 0.08 0.00 0.09 0.02 -0.02 -0.02 0.02 -0.02 -0.01 4 6 -0.03 0.02 -0.02 -0.01 0.14 -0.02 0.04 0.09 -0.03 5 1 -0.17 0.01 -0.17 0.04 0.18 0.19 0.32 -0.20 -0.24 6 1 0.40 -0.09 0.49 -0.18 -0.20 0.05 -0.01 0.11 -0.13 7 1 -0.40 -0.09 -0.49 0.18 -0.20 -0.05 -0.01 -0.11 -0.13 8 1 0.17 0.01 0.17 -0.04 0.19 -0.19 0.32 0.20 -0.24 9 6 0.00 -0.01 0.00 0.00 -0.14 0.00 -0.21 0.00 0.09 10 1 0.00 -0.08 0.00 0.00 -0.62 0.00 -0.03 0.00 0.59 11 1 0.00 0.06 0.00 0.00 -0.48 0.00 0.23 0.00 -0.23 12 6 -0.03 -0.01 0.02 0.00 0.00 0.01 0.00 0.00 0.01 13 6 0.03 -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 0.01 14 6 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 15 6 -0.02 -0.01 0.02 -0.02 -0.01 0.01 0.00 0.00 0.00 16 6 0.02 -0.01 -0.02 0.02 -0.01 -0.01 0.00 0.00 0.00 17 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 18 1 -0.05 0.01 0.02 -0.09 -0.01 -0.04 0.02 -0.03 0.01 19 1 0.05 0.01 -0.02 0.09 -0.01 0.04 0.02 0.03 0.01 20 1 -0.05 0.03 0.03 -0.04 0.02 0.01 -0.01 0.00 -0.01 21 1 0.05 0.03 -0.03 0.04 0.02 -0.01 -0.01 0.00 -0.01 22 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 32 33 A A A Frequencies -- 1001.6292 1025.2626 1029.8031 Red. masses -- 1.3742 1.2704 1.2828 Frc consts -- 0.8123 0.7868 0.8015 IR Inten -- 0.6631 0.3544 0.1158 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.02 -0.06 0.01 0.01 0.01 0.01 0.01 0.02 2 6 0.01 0.02 0.03 0.00 0.00 0.00 -0.01 0.00 0.01 3 6 0.01 -0.02 0.03 0.00 0.00 0.00 0.01 0.00 -0.01 4 6 -0.05 0.02 -0.06 -0.01 0.01 -0.01 -0.01 0.01 -0.02 5 1 0.39 -0.04 0.22 -0.03 0.01 -0.02 -0.06 0.02 -0.03 6 1 -0.04 0.15 -0.15 -0.01 -0.03 0.03 -0.01 -0.04 0.04 7 1 -0.04 -0.15 -0.15 0.01 -0.03 -0.03 0.01 -0.04 -0.04 8 1 0.39 0.04 0.22 0.03 0.01 0.02 0.06 0.02 0.03 9 6 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 -0.02 0.00 10 1 -0.03 0.00 -0.18 0.00 -0.08 0.00 0.00 -0.16 0.00 11 1 -0.16 0.00 0.19 0.00 0.03 0.00 0.00 0.08 0.00 12 6 -0.04 0.02 -0.03 -0.01 0.00 -0.03 -0.02 0.01 -0.06 13 6 -0.04 -0.02 -0.03 0.01 0.00 0.03 0.02 0.01 0.06 14 6 -0.01 0.00 0.04 -0.01 0.00 0.01 -0.02 -0.01 0.00 15 6 0.01 0.01 -0.02 -0.04 0.01 -0.09 0.07 0.02 0.01 16 6 0.01 -0.01 -0.02 0.04 0.01 0.09 -0.07 0.02 -0.01 17 6 -0.01 0.00 0.04 0.01 0.00 -0.01 0.02 -0.01 0.00 18 1 0.23 0.24 0.27 0.24 0.04 0.13 0.51 0.10 0.31 19 1 0.23 -0.24 0.27 -0.24 0.04 -0.13 -0.51 0.10 -0.31 20 1 0.02 0.06 0.04 0.42 -0.03 0.48 -0.09 -0.05 -0.29 21 1 0.02 -0.06 0.04 -0.42 -0.03 -0.48 0.09 -0.05 0.29 22 8 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 23 8 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 34 35 36 A A A Frequencies -- 1077.9344 1098.5316 1104.6473 Red. masses -- 1.5493 1.1950 1.2629 Frc consts -- 1.0607 0.8497 0.9079 IR Inten -- 46.4429 0.0688 19.5182 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.02 0.04 0.03 0.03 -0.06 -0.03 -0.02 0.04 2 6 0.02 -0.01 -0.03 -0.02 -0.03 0.03 0.05 0.03 -0.05 3 6 0.02 0.01 -0.03 0.02 -0.03 -0.03 0.05 -0.03 -0.05 4 6 0.01 0.02 0.04 -0.03 0.03 0.06 -0.03 0.02 0.04 5 1 -0.24 0.01 0.00 0.39 -0.09 -0.32 -0.29 0.07 0.24 6 1 0.10 0.05 -0.01 -0.20 -0.30 0.13 0.30 0.41 -0.20 7 1 0.10 -0.05 -0.01 0.20 -0.30 -0.13 0.30 -0.41 -0.20 8 1 -0.24 -0.01 0.00 -0.39 -0.09 0.32 -0.29 -0.07 0.24 9 6 -0.03 0.00 -0.01 0.00 0.02 0.00 -0.03 0.00 0.03 10 1 0.00 0.00 0.09 0.00 0.01 0.00 -0.02 0.00 0.08 11 1 0.04 0.00 -0.05 0.00 0.40 0.00 0.00 0.00 0.01 12 6 0.04 0.06 -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 13 6 0.04 -0.06 -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 14 6 -0.08 0.01 0.05 0.00 0.00 0.00 0.03 0.00 -0.01 15 6 0.05 0.03 -0.03 0.00 0.00 0.00 -0.01 -0.01 0.01 16 6 0.05 -0.03 -0.03 0.00 0.00 0.00 -0.01 0.01 0.01 17 6 -0.08 -0.01 0.05 0.00 0.00 0.00 0.03 0.00 -0.01 18 1 -0.21 0.44 0.07 -0.02 0.00 -0.01 0.06 -0.06 0.02 19 1 -0.21 -0.44 0.07 0.02 0.00 0.01 0.06 0.06 0.02 20 1 -0.13 0.36 0.08 0.00 0.00 0.00 0.07 -0.16 -0.03 21 1 -0.13 -0.36 0.08 0.00 0.00 0.00 0.07 0.16 -0.03 22 8 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 23 8 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 37 38 39 A A A Frequencies -- 1128.9898 1137.0146 1164.7440 Red. masses -- 2.2788 1.1631 1.1331 Frc consts -- 1.7113 0.8859 0.9057 IR Inten -- 0.4736 4.8094 17.0935 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 0.13 0.00 -0.07 0.00 -0.03 -0.01 -0.01 -0.01 2 6 -0.10 0.14 0.07 0.00 0.00 0.00 0.01 -0.01 -0.01 3 6 -0.10 -0.14 0.07 0.00 0.00 0.00 0.01 0.01 -0.01 4 6 0.06 -0.13 0.00 0.07 0.00 0.03 -0.01 0.01 -0.01 5 1 0.14 0.06 -0.31 -0.03 0.05 0.22 -0.02 0.02 0.09 6 1 0.14 0.53 -0.04 0.10 0.12 -0.02 0.04 0.04 -0.03 7 1 0.14 -0.53 -0.04 -0.10 0.12 0.02 0.04 -0.04 -0.03 8 1 0.14 -0.06 -0.31 0.03 0.05 -0.22 -0.02 -0.02 0.09 9 6 0.02 0.00 -0.06 0.00 -0.06 0.00 0.00 0.00 0.02 10 1 0.02 0.00 -0.08 0.00 -0.48 0.00 -0.01 0.00 0.01 11 1 0.06 0.00 -0.09 0.00 0.78 0.00 -0.02 0.00 0.03 12 6 0.02 -0.01 0.00 0.01 0.00 0.02 0.01 -0.05 -0.01 13 6 0.02 0.01 0.00 -0.01 0.00 -0.02 0.01 0.05 -0.01 14 6 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 15 6 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 16 6 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 17 6 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 18 1 -0.05 0.00 -0.04 -0.05 -0.02 -0.03 0.21 -0.36 -0.10 19 1 -0.05 0.00 -0.04 0.05 -0.02 0.03 0.21 0.36 -0.10 20 1 -0.05 0.10 0.03 0.01 -0.01 -0.01 -0.22 0.47 0.17 21 1 -0.05 -0.10 0.03 -0.01 -0.01 0.01 -0.22 -0.47 0.17 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 23 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 40 41 42 A A A Frequencies -- 1239.3711 1303.5329 1317.9786 Red. masses -- 2.1098 1.6770 2.7523 Frc consts -- 1.9094 1.6789 2.8168 IR Inten -- 0.7531 1.3478 211.4838 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.00 -0.01 0.00 0.06 0.01 -0.01 0.00 0.01 2 6 0.00 0.00 0.00 0.05 0.01 -0.04 0.01 0.00 0.00 3 6 0.00 0.00 0.00 -0.05 0.01 0.04 0.01 0.00 0.00 4 6 0.01 0.00 0.01 0.00 0.06 -0.01 -0.01 0.00 0.01 5 1 0.00 0.00 0.02 -0.08 0.11 0.15 0.03 -0.02 -0.02 6 1 0.01 0.01 0.01 -0.04 -0.15 0.03 -0.01 -0.01 0.00 7 1 -0.01 0.01 -0.01 0.04 -0.15 -0.03 -0.01 0.01 0.00 8 1 0.00 0.00 -0.02 0.08 0.11 -0.15 0.03 0.02 -0.02 9 6 0.00 0.00 0.00 0.00 -0.21 0.00 0.01 0.00 0.00 10 1 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 0.00 -0.03 11 1 0.00 0.07 0.00 0.00 0.31 0.00 0.02 0.00 -0.02 12 6 0.04 0.02 -0.04 0.00 0.00 0.00 -0.07 0.02 0.05 13 6 -0.04 0.02 0.04 0.00 0.00 0.00 -0.07 -0.02 0.05 14 6 0.16 0.00 -0.13 0.00 0.00 0.00 0.20 -0.01 -0.16 15 6 -0.04 -0.03 0.03 0.00 0.00 0.00 -0.06 0.02 0.04 16 6 0.04 -0.03 -0.03 0.00 0.00 0.00 -0.06 -0.02 0.04 17 6 -0.16 0.00 0.13 0.00 0.00 0.00 0.20 0.01 -0.16 18 1 0.34 -0.34 -0.11 0.02 0.00 0.01 -0.24 0.34 0.16 19 1 -0.34 -0.34 0.11 -0.02 0.00 -0.01 -0.24 -0.34 0.16 20 1 -0.23 0.35 0.17 -0.01 0.01 0.00 -0.24 0.36 0.18 21 1 0.23 0.35 -0.17 0.01 0.01 0.00 -0.24 -0.36 0.18 22 8 0.02 0.00 -0.02 0.00 0.00 0.00 -0.03 -0.01 0.02 23 8 -0.02 0.00 0.02 0.00 0.00 0.00 -0.03 0.01 0.02 43 44 45 A A A Frequencies -- 1326.2811 1384.7142 1389.9708 Red. masses -- 1.5938 3.1916 1.5408 Frc consts -- 1.6518 3.6056 1.7539 IR Inten -- 0.4609 18.3848 2.3919 Atom AN X Y Z X Y Z X Y Z 1 6 -0.07 0.08 0.09 -0.12 -0.03 0.18 0.00 0.00 -0.01 2 6 0.00 -0.07 -0.01 0.09 0.13 -0.07 0.00 0.00 0.00 3 6 0.00 -0.07 0.01 0.09 -0.13 -0.07 0.00 0.00 0.00 4 6 0.07 0.08 -0.09 -0.12 0.03 0.18 0.00 0.00 0.01 5 1 0.33 -0.09 -0.34 0.20 -0.25 -0.45 -0.01 0.01 0.01 6 1 0.27 0.36 -0.18 -0.05 -0.13 0.03 0.01 0.01 0.00 7 1 -0.27 0.36 0.18 -0.05 0.13 0.03 -0.01 0.01 0.00 8 1 -0.33 -0.09 0.34 0.20 0.25 -0.45 0.01 0.01 -0.01 9 6 0.00 -0.06 0.00 0.06 0.00 -0.11 0.00 0.00 0.00 10 1 0.00 0.04 0.00 0.07 0.00 -0.11 0.00 -0.01 0.00 11 1 0.00 -0.04 0.00 -0.06 0.00 -0.01 0.00 0.01 0.00 12 6 0.00 0.00 0.00 -0.04 0.11 -0.01 0.07 -0.07 -0.06 13 6 0.00 0.00 0.00 -0.04 -0.11 -0.01 -0.07 -0.07 0.06 14 6 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.01 0.00 15 6 0.00 0.00 0.00 0.00 0.01 0.00 0.05 -0.05 -0.04 16 6 0.00 0.00 0.00 0.00 -0.01 0.00 -0.05 -0.05 0.04 17 6 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 18 1 0.02 0.00 0.01 0.18 -0.17 -0.08 -0.19 0.49 0.15 19 1 -0.02 0.00 -0.01 0.18 0.17 -0.08 0.19 0.49 -0.15 20 1 -0.01 0.01 0.00 0.00 0.01 0.01 -0.16 0.37 0.12 21 1 0.01 0.01 0.00 0.00 -0.01 0.01 0.16 0.37 -0.12 22 8 0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.04 0.00 23 8 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.04 0.00 46 47 48 A A A Frequencies -- 1402.3957 1464.4171 1492.9769 Red. masses -- 2.2056 3.3631 1.6540 Frc consts -- 2.5558 4.2493 2.1722 IR Inten -- 0.0061 7.5326 14.7354 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.01 0.11 -0.03 -0.09 0.01 -0.03 -0.02 2 6 0.01 0.00 0.00 -0.04 0.10 0.03 0.01 0.13 -0.01 3 6 -0.01 0.00 0.00 -0.04 -0.10 0.03 0.01 -0.13 -0.01 4 6 0.00 0.00 -0.01 0.11 0.03 -0.09 0.01 0.03 -0.02 5 1 0.00 -0.01 -0.01 -0.29 0.13 0.27 -0.12 0.02 0.11 6 1 -0.01 -0.02 0.00 -0.19 -0.13 0.15 -0.14 -0.12 0.12 7 1 0.01 -0.02 0.00 -0.19 0.13 0.15 -0.14 0.12 0.12 8 1 0.00 -0.01 0.01 -0.29 -0.13 0.27 -0.12 -0.02 0.11 9 6 0.00 0.00 0.00 -0.03 0.00 0.04 0.02 0.00 -0.06 10 1 0.00 0.00 0.00 -0.01 0.00 0.11 0.23 0.00 0.58 11 1 0.00 -0.02 0.00 -0.01 0.00 0.04 -0.50 0.00 0.36 12 6 -0.08 0.05 0.08 -0.06 0.26 0.01 0.01 -0.09 -0.01 13 6 0.08 0.05 -0.08 -0.06 -0.26 0.01 0.01 0.09 -0.01 14 6 -0.09 0.00 0.06 0.02 -0.01 0.00 0.00 0.01 0.00 15 6 0.12 -0.07 -0.09 -0.01 0.03 0.00 0.00 -0.01 0.00 16 6 -0.12 -0.07 0.09 -0.01 -0.03 0.00 0.00 0.01 0.00 17 6 0.09 0.00 -0.06 0.02 0.01 0.00 0.00 -0.01 0.00 18 1 0.06 -0.34 -0.10 0.27 -0.22 -0.14 -0.07 0.07 0.06 19 1 -0.06 -0.34 0.10 0.27 0.22 -0.14 -0.07 -0.07 0.06 20 1 -0.17 0.51 0.14 0.00 0.02 0.00 -0.01 0.00 0.01 21 1 0.17 0.51 -0.14 0.00 -0.02 0.00 -0.01 0.00 0.01 22 8 -0.01 0.00 0.00 0.01 -0.04 0.00 0.00 0.02 0.00 23 8 0.01 0.00 0.00 0.01 0.04 0.00 0.00 -0.02 0.00 49 50 51 A A A Frequencies -- 1508.2694 1510.2944 1672.2554 Red. masses -- 1.6883 3.1753 7.8814 Frc consts -- 2.2628 4.2673 12.9855 IR Inten -- 2.7351 15.2421 28.5608 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.05 0.01 0.14 0.04 -0.12 -0.01 0.00 0.00 2 6 -0.02 -0.13 0.01 -0.18 -0.09 0.14 0.00 0.01 0.00 3 6 -0.02 0.13 0.01 0.18 -0.09 -0.14 0.00 -0.01 0.00 4 6 -0.01 -0.05 0.01 -0.14 0.04 0.12 -0.01 0.00 0.00 5 1 0.13 0.00 -0.12 -0.11 0.18 0.14 0.01 0.00 0.01 6 1 0.15 0.14 -0.11 0.14 0.50 -0.10 -0.01 0.00 0.00 7 1 0.15 -0.14 -0.11 -0.14 0.50 0.10 -0.01 0.00 0.00 8 1 0.13 0.00 -0.12 0.11 0.18 -0.14 0.01 0.00 0.01 9 6 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 10 1 0.25 0.00 0.60 0.00 0.33 0.00 -0.01 0.00 -0.03 11 1 -0.48 0.00 0.32 0.00 0.08 0.00 0.01 0.00 0.00 12 6 -0.01 0.08 0.01 -0.02 0.00 0.00 0.00 -0.03 0.00 13 6 -0.01 -0.08 0.01 0.02 0.00 0.00 0.00 0.03 0.00 14 6 0.01 0.00 0.00 -0.01 0.01 0.00 0.02 0.10 0.00 15 6 0.00 0.01 0.00 0.00 0.00 0.00 -0.04 0.52 0.04 16 6 0.00 -0.01 0.00 0.00 0.00 0.00 -0.04 -0.52 0.04 17 6 0.01 0.00 0.00 0.01 0.01 0.00 0.02 -0.10 0.00 18 1 0.05 -0.05 -0.05 0.02 -0.02 0.01 -0.03 0.01 0.02 19 1 0.05 0.05 -0.05 -0.02 -0.02 -0.01 -0.03 -0.01 0.02 20 1 0.00 0.00 0.00 0.00 0.01 0.00 0.34 -0.11 -0.26 21 1 0.00 0.00 0.00 0.00 0.01 0.00 0.34 0.11 -0.26 22 8 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.12 -0.02 23 8 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.12 -0.02 52 53 54 A A A Frequencies -- 1740.9427 1741.1510 3021.4383 Red. masses -- 10.7909 9.8914 1.0729 Frc consts -- 19.2698 17.6678 5.7710 IR Inten -- 387.5410 71.9200 12.6035 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 2 6 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 4 6 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 5 1 0.04 -0.01 0.02 0.04 0.01 0.02 0.01 0.01 -0.01 6 1 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 7 1 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 8 1 -0.04 -0.01 -0.02 0.04 -0.01 0.02 0.01 -0.01 -0.01 9 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 -0.07 10 1 0.00 -0.01 0.00 -0.01 0.00 -0.02 -0.13 0.00 0.02 11 1 0.00 0.02 0.00 0.01 0.00 -0.01 0.60 0.00 0.78 12 6 0.01 -0.06 -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 13 6 -0.01 -0.06 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 14 6 0.05 0.53 0.04 0.05 0.49 0.03 0.00 0.00 0.00 15 6 0.00 -0.05 0.00 0.01 -0.17 -0.02 0.00 0.00 0.00 16 6 0.00 -0.05 0.00 0.01 0.17 -0.02 0.00 0.00 0.00 17 6 -0.05 0.53 -0.04 0.05 -0.49 0.03 0.00 0.00 0.00 18 1 -0.10 0.18 0.07 0.11 -0.17 -0.06 0.00 0.00 0.00 19 1 0.10 0.18 -0.07 0.11 0.17 -0.06 0.00 0.00 0.00 20 1 -0.10 0.18 0.08 -0.16 0.20 0.14 0.00 0.00 0.00 21 1 0.10 0.18 -0.08 -0.16 -0.20 0.14 0.00 0.00 0.00 22 8 0.03 -0.34 0.02 -0.03 0.30 -0.02 0.00 0.00 0.00 23 8 -0.03 -0.34 -0.02 -0.03 -0.30 -0.02 0.00 0.00 0.00 55 56 57 A A A Frequencies -- 3165.4692 3192.0960 3210.5721 Red. masses -- 1.0890 1.0868 1.0984 Frc consts -- 6.4289 6.5245 6.6707 IR Inten -- 4.0017 3.0118 12.1579 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 -0.01 -0.04 0.01 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 -0.01 0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 9 6 -0.08 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 10 1 0.94 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 11 1 0.06 0.00 0.10 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.04 0.03 -0.03 -0.04 -0.04 0.03 16 6 0.00 0.00 0.00 -0.04 0.03 0.03 -0.04 0.04 0.03 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 0.01 0.00 0.00 0.00 0.02 0.03 -0.04 19 1 0.00 0.00 0.01 0.00 0.00 0.00 0.02 -0.03 -0.04 20 1 0.00 0.00 0.00 -0.48 -0.37 0.35 0.48 0.38 -0.35 21 1 0.00 0.00 0.00 0.48 -0.37 -0.35 0.48 -0.38 -0.35 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 -- 3214.0092 3216.1712 3226.2879 Red. masses -- 1.0880 1.0869 1.0925 Frc consts -- 6.6219 6.6237 6.6999 IR Inten -- 3.3297 1.2011 4.1946 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.02 0.00 2 6 0.00 0.00 0.00 -0.03 0.03 0.03 0.01 -0.01 -0.01 3 6 0.00 0.00 0.00 0.03 0.03 -0.03 0.01 0.01 -0.01 4 6 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 5 1 0.00 0.02 0.00 0.05 0.27 -0.06 -0.03 -0.19 0.04 6 1 0.02 -0.02 -0.01 0.38 -0.37 -0.37 -0.11 0.11 0.11 7 1 -0.02 -0.02 0.01 -0.38 -0.37 0.37 -0.11 -0.11 0.11 8 1 0.00 0.02 0.00 -0.05 0.27 0.06 -0.03 0.19 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 0.00 0.00 0.00 -0.02 0.00 0.01 11 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.03 0.03 -0.05 0.00 0.00 0.00 0.02 0.03 -0.04 13 6 -0.03 0.03 0.05 0.00 0.00 0.00 0.02 -0.03 -0.04 14 6 0.00 0.00 0.00 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 0.00 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 -0.31 -0.35 0.53 0.02 0.02 -0.02 -0.29 -0.32 0.48 19 1 0.31 -0.35 -0.53 -0.02 0.02 0.02 -0.29 0.32 0.48 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.03 -0.03 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 -0.03 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 -- 3228.0463 3236.9700 3243.7657 Red. masses -- 1.0921 1.0952 1.1035 Frc consts -- 6.7052 6.7612 6.8412 IR Inten -- 3.9614 5.7708 5.8327 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.04 0.01 -0.01 -0.05 0.01 -0.01 -0.04 0.01 2 6 -0.02 0.03 0.02 0.02 -0.01 -0.02 0.03 -0.03 -0.03 3 6 -0.02 -0.03 0.02 -0.02 -0.01 0.02 0.03 0.03 -0.03 4 6 -0.01 0.04 0.01 0.01 -0.05 -0.01 -0.01 0.04 0.01 5 1 0.08 0.45 -0.11 0.11 0.62 -0.15 0.09 0.47 -0.11 6 1 0.26 -0.26 -0.25 -0.17 0.16 0.16 -0.30 0.29 0.29 7 1 0.26 0.26 -0.25 0.17 0.16 -0.16 -0.30 -0.29 0.29 8 1 0.08 -0.45 -0.11 -0.11 0.62 0.15 0.09 -0.47 -0.11 9 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 1 0.04 0.00 -0.01 0.00 0.00 0.00 0.04 0.00 -0.02 11 1 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 12 6 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 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 0.00 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 -0.12 -0.14 0.21 0.00 0.01 -0.01 0.00 0.00 0.00 19 1 -0.12 0.14 0.21 0.00 0.01 0.01 0.00 0.00 0.00 20 1 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.01 -0.01 -0.01 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 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 1 and mass 1.00783 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 6 and mass 12.00000 Atom 14 has atomic number 6 and mass 12.00000 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: 174.06808 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 1605.699522035.206243050.96624 X 0.99985 0.00000 -0.01723 Y 0.00000 1.00000 0.00000 Z 0.01723 0.00000 0.99985 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.05394 0.04256 0.02839 Rotational constants (GHZ): 1.12396 0.88676 0.59153 1 imaginary frequencies ignored. Zero-point vibrational energy 475731.5 (Joules/Mol) 113.70256 (Kcal/Mol) Warning -- explicit consideration of 14 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 114.28 140.79 174.53 226.36 257.76 (Kelvin) 367.85 400.15 599.53 641.24 644.91 683.56 684.50 810.22 848.08 902.95 1095.07 1111.50 1122.96 1144.39 1159.14 1165.27 1216.62 1228.07 1292.38 1319.42 1341.34 1392.76 1415.45 1415.83 1441.12 1475.12 1481.66 1550.91 1580.54 1589.34 1624.36 1635.91 1675.80 1783.18 1875.49 1896.27 1908.22 1992.29 1999.86 2017.73 2106.97 2148.06 2170.06 2172.97 2406.00 2504.83 2505.12 4347.17 4554.40 4592.71 4619.29 4624.24 4627.35 4641.90 4644.43 4657.27 4667.05 Zero-point correction= 0.181197 (Hartree/Particle) Thermal correction to Energy= 0.191428 Thermal correction to Enthalpy= 0.192372 Thermal correction to Gibbs Free Energy= 0.145228 Sum of electronic and zero-point Energies= -575.345338 Sum of electronic and thermal Energies= -575.335107 Sum of electronic and thermal Enthalpies= -575.334163 Sum of electronic and thermal Free Energies= -575.381307 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 120.123 40.774 99.223 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 41.370 Rotational 0.889 2.981 30.679 Vibrational 118.346 34.812 27.174 Vibration 1 0.600 1.963 3.905 Vibration 2 0.603 1.951 3.497 Vibration 3 0.609 1.931 3.079 Vibration 4 0.621 1.894 2.582 Vibration 5 0.629 1.868 2.337 Vibration 6 0.666 1.753 1.691 Vibration 7 0.679 1.714 1.545 Vibration 8 0.780 1.434 0.903 Vibration 9 0.805 1.370 0.809 Vibration 10 0.807 1.365 0.801 Vibration 11 0.832 1.305 0.723 Vibration 12 0.832 1.304 0.722 Vibration 13 0.919 1.111 0.518 Vibration 14 0.947 1.054 0.468 Q Log10(Q) Ln(Q) Total Bot 0.158412D-66 -66.800213 -153.813175 Total V=0 0.350140D+17 16.544241 38.094524 Vib (Bot) 0.155257D-80 -80.808949 -186.069480 Vib (Bot) 1 0.259293D+01 0.413790 0.952787 Vib (Bot) 2 0.209807D+01 0.321821 0.741019 Vib (Bot) 3 0.168412D+01 0.226374 0.521244 Vib (Bot) 4 0.128604D+01 0.109255 0.251568 Vib (Bot) 5 0.112144D+01 0.049776 0.114613 Vib (Bot) 6 0.761305D+00 -0.118441 -0.272721 Vib (Bot) 7 0.691976D+00 -0.159909 -0.368204 Vib (Bot) 8 0.422446D+00 -0.374228 -0.861693 Vib (Bot) 9 0.386115D+00 -0.413283 -0.951619 Vib (Bot) 10 0.383130D+00 -0.416654 -0.959382 Vib (Bot) 11 0.353502D+00 -0.451609 -1.039867 Vib (Bot) 12 0.352816D+00 -0.452451 -1.041808 Vib (Bot) 13 0.275156D+00 -0.560421 -1.290418 Vib (Bot) 14 0.256069D+00 -0.591644 -1.362310 Vib (V=0) 0.343167D+03 2.535506 5.838218 Vib (V=0) 1 0.314069D+01 0.497026 1.144444 Vib (V=0) 2 0.265683D+01 0.424364 0.977133 Vib (V=0) 3 0.225678D+01 0.353489 0.813938 Vib (V=0) 4 0.187982D+01 0.274116 0.631175 Vib (V=0) 5 0.172785D+01 0.237507 0.546880 Vib (V=0) 6 0.141082D+01 0.149470 0.344168 Vib (V=0) 7 0.135372D+01 0.131527 0.302853 Vib (V=0) 8 0.115457D+01 0.062420 0.143727 Vib (V=0) 9 0.113173D+01 0.053744 0.123749 Vib (V=0) 10 0.112991D+01 0.053044 0.122139 Vib (V=0) 11 0.111234D+01 0.046239 0.106468 Vib (V=0) 12 0.111195D+01 0.046084 0.106113 Vib (V=0) 13 0.107071D+01 0.029672 0.068323 Vib (V=0) 14 0.106176D+01 0.026025 0.059925 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.902680D+08 7.955534 18.318294 Rotational 0.113032D+07 6.053201 13.938011 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000006064 0.000002511 0.000001168 2 6 -0.000010437 0.000007556 -0.000004283 3 6 -0.000009892 -0.000007764 -0.000004578 4 6 -0.000006522 -0.000002616 0.000001442 5 1 0.000003312 0.000000409 -0.000002175 6 1 0.000000450 -0.000000089 -0.000001394 7 1 0.000000486 0.000000114 -0.000001398 8 1 0.000003379 -0.000000311 -0.000002132 9 6 0.000003419 0.000000104 0.000002825 10 1 0.000001503 -0.000000012 0.000001045 11 1 0.000000319 -0.000000050 -0.000001142 12 6 0.000009963 0.000009156 0.000002189 13 6 0.000009761 -0.000008353 0.000003046 14 6 -0.000001301 -0.000001522 0.000000005 15 6 -0.000000122 0.000001470 -0.000000491 16 6 0.000000350 -0.000001680 -0.000000929 17 6 -0.000001345 0.000001322 -0.000000014 18 1 0.000002654 -0.000000605 0.000002095 19 1 0.000003121 -0.000000021 0.000001333 20 1 -0.000000213 0.000000653 0.000000221 21 1 -0.000000516 -0.000000454 0.000000486 22 8 -0.000001220 -0.000001710 0.000001332 23 8 -0.000001084 0.000001891 0.000001350 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010437 RMS 0.000003678 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000010478 RMS 0.000002839 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 --- -0.02479 0.00308 0.00426 0.00559 0.00846 Eigenvalues --- 0.01199 0.01275 0.01421 0.01521 0.01723 Eigenvalues --- 0.01945 0.02129 0.02200 0.02641 0.02789 Eigenvalues --- 0.02945 0.03347 0.03601 0.03700 0.04164 Eigenvalues --- 0.04238 0.04670 0.04955 0.05046 0.05361 Eigenvalues --- 0.06541 0.06647 0.07105 0.08125 0.08669 Eigenvalues --- 0.10251 0.10423 0.10980 0.11822 0.14486 Eigenvalues --- 0.15472 0.15729 0.17592 0.20472 0.21770 Eigenvalues --- 0.22861 0.24839 0.26071 0.28555 0.30506 Eigenvalues --- 0.30614 0.31474 0.32593 0.33675 0.35538 Eigenvalues --- 0.36169 0.36237 0.36551 0.36620 0.36630 Eigenvalues --- 0.36807 0.36838 0.36970 0.39305 0.43810 Eigenvalues --- 0.55823 0.80947 0.81117 Eigenvectors required to have negative eigenvalues: R11 R4 D60 D58 D35 1 0.57795 0.57795 -0.14331 0.14331 0.14234 D7 D67 D73 R14 D37 1 -0.14234 0.11120 -0.11120 -0.10951 0.10492 Angle between quadratic step and forces= 68.54 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009790 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.65688 0.00000 0.00000 -0.00004 -0.00004 2.65684 R2 2.04955 0.00000 0.00000 -0.00001 -0.00001 2.04955 R3 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R4 4.20679 -0.00001 0.00000 0.00017 0.00017 4.20696 R5 2.64421 -0.00001 0.00000 0.00000 0.00000 2.64421 R6 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R7 2.65688 0.00000 0.00000 -0.00004 -0.00004 2.65684 R8 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R9 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R10 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R11 4.20677 -0.00001 0.00000 0.00019 0.00019 4.20696 R12 2.05907 0.00000 0.00000 0.00000 0.00000 2.05908 R13 2.08355 0.00000 0.00000 0.00000 0.00000 2.08355 R14 2.66703 0.00001 0.00000 -0.00002 -0.00002 2.66701 R15 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R16 2.04818 0.00000 0.00000 -0.00001 -0.00001 2.04818 R17 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R18 2.04818 0.00000 0.00000 0.00000 0.00000 2.04818 R19 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R20 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R21 2.53958 0.00000 0.00000 -0.00001 -0.00001 2.53957 R22 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R23 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R24 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R25 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 A1 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A2 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A3 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A4 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A5 1.78851 0.00000 0.00000 0.00002 0.00002 1.78853 A6 1.59616 0.00001 0.00000 0.00003 0.00003 1.59618 A7 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A8 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A9 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A10 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A11 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A12 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A13 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A14 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A15 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A16 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A17 1.78851 0.00000 0.00000 0.00002 0.00002 1.78853 A18 1.59616 0.00001 0.00000 0.00002 0.00002 1.59618 A19 1.74405 0.00000 0.00000 0.00002 0.00002 1.74407 A20 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A21 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A22 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A23 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A24 1.87693 0.00000 0.00000 -0.00001 -0.00001 1.87692 A25 1.77419 0.00000 0.00000 -0.00001 -0.00001 1.77418 A26 1.72685 0.00000 0.00000 0.00002 0.00002 1.72687 A27 1.62991 0.00000 0.00000 -0.00012 -0.00012 1.62979 A28 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A29 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A30 1.98025 0.00000 0.00000 0.00003 0.00003 1.98028 A31 1.77418 0.00000 0.00000 0.00000 0.00000 1.77418 A32 1.72686 0.00000 0.00000 0.00002 0.00002 1.72687 A33 1.62991 0.00000 0.00000 -0.00012 -0.00012 1.62979 A34 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A35 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A36 1.98025 0.00000 0.00000 0.00002 0.00002 1.98028 A37 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A38 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A39 2.09772 0.00000 0.00000 0.00000 0.00000 2.09771 A40 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A41 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A42 2.13800 0.00000 0.00000 0.00000 0.00000 2.13800 A43 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A44 2.13801 0.00000 0.00000 0.00000 0.00000 2.13800 A45 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A46 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A47 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A48 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 D1 -3.03877 0.00000 0.00000 -0.00005 -0.00005 -3.03882 D2 0.23555 0.00000 0.00000 -0.00006 -0.00006 0.23549 D3 -0.33371 0.00000 0.00000 0.00009 0.00009 -0.33362 D4 2.94061 0.00000 0.00000 0.00008 0.00008 2.94069 D5 1.30467 0.00000 0.00000 0.00007 0.00007 1.30474 D6 -1.70419 0.00000 0.00000 0.00006 0.00006 -1.70414 D7 0.50259 0.00000 0.00000 -0.00014 -0.00014 0.50246 D8 2.70499 0.00000 0.00000 -0.00012 -0.00012 2.70487 D9 -1.46606 0.00000 0.00000 -0.00013 -0.00013 -1.46619 D10 -3.07029 0.00000 0.00000 -0.00002 -0.00002 -3.07031 D11 -0.86790 0.00000 0.00000 0.00000 0.00000 -0.86789 D12 1.24424 0.00000 0.00000 -0.00001 -0.00001 1.24423 D13 -1.21931 0.00001 0.00000 0.00003 0.00003 -1.21928 D14 0.98309 0.00001 0.00000 0.00005 0.00005 0.98313 D15 3.09522 0.00001 0.00000 0.00003 0.00003 3.09525 D16 -1.19968 0.00000 0.00000 -0.00004 -0.00004 -1.19972 D17 2.92044 0.00000 0.00000 -0.00005 -0.00005 2.92039 D18 0.92387 0.00000 0.00000 -0.00005 -0.00005 0.92382 D19 2.84628 0.00000 0.00000 0.00003 0.00003 2.84631 D20 0.68322 0.00000 0.00000 0.00002 0.00002 0.68324 D21 -1.31335 0.00000 0.00000 0.00002 0.00002 -1.31333 D22 0.66449 0.00000 0.00000 -0.00002 -0.00002 0.66447 D23 -1.49857 0.00000 0.00000 -0.00003 -0.00003 -1.49860 D24 2.78805 0.00000 0.00000 -0.00003 -0.00003 2.78802 D25 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D26 -3.00839 0.00000 0.00000 -0.00001 -0.00001 -3.00840 D27 3.00839 0.00000 0.00000 0.00001 0.00001 3.00840 D28 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D29 3.03877 0.00000 0.00000 0.00005 0.00005 3.03882 D30 0.33371 0.00000 0.00000 -0.00009 -0.00009 0.33362 D31 -1.30467 0.00000 0.00000 -0.00007 -0.00007 -1.30474 D32 -0.23555 0.00000 0.00000 0.00006 0.00006 -0.23549 D33 -2.94061 0.00000 0.00000 -0.00008 -0.00008 -2.94069 D34 1.70419 0.00000 0.00000 -0.00005 -0.00005 1.70414 D35 -0.50259 0.00000 0.00000 0.00014 0.00014 -0.50246 D36 -2.70499 0.00000 0.00000 0.00012 0.00012 -2.70487 D37 1.46606 0.00000 0.00000 0.00013 0.00013 1.46619 D38 3.07029 0.00000 0.00000 0.00002 0.00002 3.07031 D39 0.86790 0.00000 0.00000 0.00000 0.00000 0.86789 D40 -1.24424 0.00000 0.00000 0.00001 0.00001 -1.24423 D41 1.21931 -0.00001 0.00000 -0.00003 -0.00003 1.21928 D42 -0.98308 -0.00001 0.00000 -0.00005 -0.00005 -0.98313 D43 -3.09522 -0.00001 0.00000 -0.00004 -0.00004 -3.09525 D44 1.19968 0.00000 0.00000 0.00004 0.00004 1.19972 D45 -2.92044 0.00000 0.00000 0.00005 0.00005 -2.92039 D46 -0.92387 0.00000 0.00000 0.00005 0.00005 -0.92382 D47 -2.84628 0.00000 0.00000 -0.00003 -0.00003 -2.84631 D48 -0.68322 0.00000 0.00000 -0.00002 -0.00002 -0.68324 D49 1.31335 0.00000 0.00000 -0.00002 -0.00002 1.31333 D50 -0.66449 0.00000 0.00000 0.00002 0.00002 -0.66447 D51 1.49857 0.00000 0.00000 0.00002 0.00002 1.49860 D52 -2.78805 0.00000 0.00000 0.00003 0.00003 -2.78802 D53 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D54 1.88198 0.00000 0.00000 0.00002 0.00002 1.88200 D55 -1.76117 0.00000 0.00000 0.00014 0.00014 -1.76103 D56 -1.88198 0.00000 0.00000 -0.00002 -0.00002 -1.88200 D57 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D58 2.64003 0.00000 0.00000 0.00012 0.00012 2.64015 D59 1.76118 0.00000 0.00000 -0.00014 -0.00014 1.76103 D60 -2.64003 0.00000 0.00000 -0.00012 -0.00012 -2.64015 D61 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D62 -1.79910 0.00000 0.00000 -0.00004 -0.00004 -1.79914 D63 1.35955 0.00000 0.00000 -0.00003 -0.00003 1.35952 D64 0.10849 0.00000 0.00000 -0.00003 -0.00003 0.10846 D65 -3.01604 0.00000 0.00000 -0.00002 -0.00002 -3.01606 D66 2.77941 0.00000 0.00000 0.00008 0.00008 2.77949 D67 -0.34512 0.00000 0.00000 0.00009 0.00009 -0.34502 D68 1.79910 0.00000 0.00000 0.00004 0.00004 1.79914 D69 -1.35956 0.00000 0.00000 0.00003 0.00003 -1.35952 D70 -0.10849 0.00000 0.00000 0.00003 0.00003 -0.10846 D71 3.01604 0.00000 0.00000 0.00002 0.00002 3.01606 D72 -2.77942 0.00000 0.00000 -0.00008 -0.00008 -2.77949 D73 0.34511 0.00000 0.00000 -0.00009 -0.00009 0.34502 D74 0.11002 0.00000 0.00000 -0.00003 -0.00003 0.10999 D75 -3.06304 0.00000 0.00000 -0.00004 -0.00004 -3.06307 D76 -3.01493 0.00000 0.00000 -0.00002 -0.00002 -3.01496 D77 0.09519 0.00000 0.00000 -0.00003 -0.00003 0.09516 D78 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D79 3.10794 0.00000 0.00000 0.00000 0.00000 3.10794 D80 -3.10794 0.00000 0.00000 0.00000 0.00000 -3.10794 D81 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D82 -0.11002 0.00000 0.00000 0.00003 0.00003 -0.10999 D83 3.01494 0.00000 0.00000 0.00002 0.00002 3.01496 D84 3.06304 0.00000 0.00000 0.00004 0.00004 3.06307 D85 -0.09519 0.00000 0.00000 0.00003 0.00003 -0.09516 Item Value Threshold Converged? Maximum Force 0.000010 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000365 0.001800 YES RMS Displacement 0.000098 0.001200 YES Predicted change in Energy=-4.464651D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.406 -DE/DX = 0.0 ! ! R2 R(1,5) 1.0846 -DE/DX = 0.0 ! ! R3 R(1,9) 1.509 -DE/DX = 0.0 ! ! R4 R(1,13) 2.2261 -DE/DX = 0.0 ! ! R5 R(2,3) 1.3993 -DE/DX = 0.0 ! ! R6 R(2,6) 1.0849 -DE/DX = 0.0 ! ! R7 R(3,4) 1.406 -DE/DX = 0.0 ! ! R8 R(3,7) 1.0849 -DE/DX = 0.0 ! ! R9 R(4,8) 1.0846 -DE/DX = 0.0 ! ! R10 R(4,9) 1.509 -DE/DX = 0.0 ! ! R11 R(4,12) 2.2261 -DE/DX = 0.0 ! ! R12 R(9,10) 1.0896 -DE/DX = 0.0 ! ! R13 R(9,11) 1.1026 -DE/DX = 0.0 ! ! R14 R(12,13) 1.4113 -DE/DX = 0.0 ! ! R15 R(12,17) 1.4824 -DE/DX = 0.0 ! ! R16 R(12,18) 1.0839 -DE/DX = 0.0 ! ! R17 R(13,14) 1.4824 -DE/DX = 0.0 ! ! R18 R(13,19) 1.0839 -DE/DX = 0.0 ! ! R19 R(14,15) 1.4909 -DE/DX = 0.0 ! ! R20 R(14,23) 1.2279 -DE/DX = 0.0 ! ! R21 R(15,16) 1.3439 -DE/DX = 0.0 ! ! R22 R(15,20) 1.0872 -DE/DX = 0.0 ! ! R23 R(16,17) 1.4909 -DE/DX = 0.0 ! ! R24 R(16,21) 1.0872 -DE/DX = 0.0 ! ! R25 R(17,22) 1.2279 -DE/DX = 0.0 ! ! A1 A(2,1,5) 124.6289 -DE/DX = 0.0 ! ! A2 A(2,1,9) 106.4323 -DE/DX = 0.0 ! ! A3 A(2,1,13) 97.8837 -DE/DX = 0.0 ! ! A4 A(5,1,9) 123.6749 -DE/DX = 0.0 ! ! A5 A(5,1,13) 102.474 -DE/DX = 0.0 ! ! A6 A(9,1,13) 91.453 -DE/DX = 0.0 ! ! A7 A(1,2,3) 108.9121 -DE/DX = 0.0 ! ! A8 A(1,2,6) 125.1607 -DE/DX = 0.0 ! ! A9 A(3,2,6) 125.4473 -DE/DX = 0.0 ! ! A10 A(2,3,4) 108.9121 -DE/DX = 0.0 ! ! A11 A(2,3,7) 125.4473 -DE/DX = 0.0 ! ! A12 A(4,3,7) 125.1607 -DE/DX = 0.0 ! ! A13 A(3,4,8) 124.6289 -DE/DX = 0.0 ! ! A14 A(3,4,9) 106.4322 -DE/DX = 0.0 ! ! A15 A(3,4,12) 97.8837 -DE/DX = 0.0 ! ! A16 A(8,4,9) 123.6749 -DE/DX = 0.0 ! ! A17 A(8,4,12) 102.4739 -DE/DX = 0.0 ! ! A18 A(9,4,12) 91.4532 -DE/DX = 0.0 ! ! A19 A(1,9,4) 99.9269 -DE/DX = 0.0 ! ! A20 A(1,9,10) 116.3848 -DE/DX = 0.0 ! ! A21 A(1,9,11) 108.0316 -DE/DX = 0.0 ! ! A22 A(4,9,10) 116.3848 -DE/DX = 0.0 ! ! A23 A(4,9,11) 108.0315 -DE/DX = 0.0 ! ! A24 A(10,9,11) 107.5402 -DE/DX = 0.0 ! ! A25 A(4,12,13) 101.6535 -DE/DX = 0.0 ! ! A26 A(4,12,17) 98.9413 -DE/DX = 0.0 ! ! A27 A(4,12,18) 93.3868 -DE/DX = 0.0 ! ! A28 A(13,12,17) 120.577 -DE/DX = 0.0 ! ! A29 A(13,12,18) 120.0916 -DE/DX = 0.0 ! ! A30 A(17,12,18) 113.46 -DE/DX = 0.0 ! ! A31 A(1,13,12) 101.6532 -DE/DX = 0.0 ! ! A32 A(1,13,14) 98.9415 -DE/DX = 0.0 ! ! A33 A(1,13,19) 93.3868 -DE/DX = 0.0 ! ! A34 A(12,13,14) 120.577 -DE/DX = 0.0 ! ! A35 A(12,13,19) 120.0916 -DE/DX = 0.0 ! ! A36 A(14,13,19) 113.4602 -DE/DX = 0.0 ! ! A37 A(13,14,15) 117.2212 -DE/DX = 0.0 ! ! A38 A(13,14,23) 122.5814 -DE/DX = 0.0 ! ! A39 A(15,14,23) 120.1902 -DE/DX = 0.0 ! ! A40 A(14,15,16) 121.8975 -DE/DX = 0.0 ! ! A41 A(14,15,20) 115.5781 -DE/DX = 0.0 ! ! A42 A(16,15,20) 122.4986 -DE/DX = 0.0 ! ! A43 A(15,16,17) 121.8975 -DE/DX = 0.0 ! ! A44 A(15,16,21) 122.4987 -DE/DX = 0.0 ! ! A45 A(17,16,21) 115.5781 -DE/DX = 0.0 ! ! A46 A(12,17,16) 117.2212 -DE/DX = 0.0 ! ! A47 A(12,17,22) 122.5813 -DE/DX = 0.0 ! ! A48 A(16,17,22) 120.1903 -DE/DX = 0.0 ! ! D1 D(5,1,2,3) -174.109 -DE/DX = 0.0 ! ! D2 D(5,1,2,6) 13.4959 -DE/DX = 0.0 ! ! D3 D(9,1,2,3) -19.12 -DE/DX = 0.0 ! ! D4 D(9,1,2,6) 168.4848 -DE/DX = 0.0 ! ! D5 D(13,1,2,3) 74.752 -DE/DX = 0.0 ! ! D6 D(13,1,2,6) -97.6431 -DE/DX = 0.0 ! ! D7 D(2,1,9,4) 28.7965 -DE/DX = 0.0 ! ! D8 D(2,1,9,10) 154.9843 -DE/DX = 0.0 ! ! D9 D(2,1,9,11) -83.9993 -DE/DX = 0.0 ! ! D10 D(5,1,9,4) -175.9146 -DE/DX = 0.0 ! ! D11 D(5,1,9,10) -49.7269 -DE/DX = 0.0 ! ! D12 D(5,1,9,11) 71.2896 -DE/DX = 0.0 ! ! D13 D(13,1,9,4) -69.8611 -DE/DX = 0.0 ! ! D14 D(13,1,9,10) 56.3266 -DE/DX = 0.0 ! ! D15 D(13,1,9,11) 177.3431 -DE/DX = 0.0 ! ! D16 D(2,1,13,12) -68.7366 -DE/DX = 0.0 ! ! D17 D(2,1,13,14) 167.3291 -DE/DX = 0.0 ! ! D18 D(2,1,13,19) 52.9341 -DE/DX = 0.0 ! ! D19 D(5,1,13,12) 163.0797 -DE/DX = 0.0 ! ! D20 D(5,1,13,14) 39.1455 -DE/DX = 0.0 ! ! D21 D(5,1,13,19) -75.2495 -DE/DX = 0.0 ! ! D22 D(9,1,13,12) 38.0725 -DE/DX = 0.0 ! ! D23 D(9,1,13,14) -85.8617 -DE/DX = 0.0 ! ! D24 D(9,1,13,19) 159.7433 -DE/DX = 0.0 ! ! D25 D(1,2,3,4) 0.0 -DE/DX = 0.0 ! ! D26 D(1,2,3,7) -172.368 -DE/DX = 0.0 ! ! D27 D(6,2,3,4) 172.368 -DE/DX = 0.0 ! ! D28 D(6,2,3,7) 0.0 -DE/DX = 0.0 ! ! D29 D(2,3,4,8) 174.1089 -DE/DX = 0.0 ! ! D30 D(2,3,4,9) 19.1201 -DE/DX = 0.0 ! ! D31 D(2,3,4,12) -74.7522 -DE/DX = 0.0 ! ! D32 D(7,3,4,8) -13.496 -DE/DX = 0.0 ! ! D33 D(7,3,4,9) -168.4848 -DE/DX = 0.0 ! ! D34 D(7,3,4,12) 97.6429 -DE/DX = 0.0 ! ! D35 D(3,4,9,1) -28.7965 -DE/DX = 0.0 ! ! D36 D(3,4,9,10) -154.9843 -DE/DX = 0.0 ! ! D37 D(3,4,9,11) 83.9993 -DE/DX = 0.0 ! ! D38 D(8,4,9,1) 175.9147 -DE/DX = 0.0 ! ! D39 D(8,4,9,10) 49.727 -DE/DX = 0.0 ! ! D40 D(8,4,9,11) -71.2894 -DE/DX = 0.0 ! ! D41 D(12,4,9,1) 69.8612 -DE/DX = 0.0 ! ! D42 D(12,4,9,10) -56.3265 -DE/DX = 0.0 ! ! D43 D(12,4,9,11) -177.3429 -DE/DX = 0.0 ! ! D44 D(3,4,12,13) 68.7368 -DE/DX = 0.0 ! ! D45 D(3,4,12,17) -167.329 -DE/DX = 0.0 ! ! D46 D(3,4,12,18) -52.9341 -DE/DX = 0.0 ! ! D47 D(8,4,12,13) -163.0796 -DE/DX = 0.0 ! ! D48 D(8,4,12,17) -39.1453 -DE/DX = 0.0 ! ! D49 D(8,4,12,18) 75.2495 -DE/DX = 0.0 ! ! D50 D(9,4,12,13) -38.0724 -DE/DX = 0.0 ! ! D51 D(9,4,12,17) 85.8619 -DE/DX = 0.0 ! ! D52 D(9,4,12,18) -159.7433 -DE/DX = 0.0 ! ! D53 D(4,12,13,1) 0.0 -DE/DX = 0.0 ! ! D54 D(4,12,13,14) 107.8295 -DE/DX = 0.0 ! ! D55 D(4,12,13,19) -100.9077 -DE/DX = 0.0 ! ! D56 D(17,12,13,1) -107.8296 -DE/DX = 0.0 ! ! D57 D(17,12,13,14) 0.0 -DE/DX = 0.0 ! ! D58 D(17,12,13,19) 151.2627 -DE/DX = 0.0 ! ! D59 D(18,12,13,1) 100.9079 -DE/DX = 0.0 ! ! D60 D(18,12,13,14) -151.2625 -DE/DX = 0.0 ! ! D61 D(18,12,13,19) 0.0002 -DE/DX = 0.0 ! ! D62 D(4,12,17,16) -103.081 -DE/DX = 0.0 ! ! D63 D(4,12,17,22) 77.8966 -DE/DX = 0.0 ! ! D64 D(13,12,17,16) 6.216 -DE/DX = 0.0 ! ! D65 D(13,12,17,22) -172.8064 -DE/DX = 0.0 ! ! D66 D(18,12,17,16) 159.2486 -DE/DX = 0.0 ! ! D67 D(18,12,17,22) -19.7738 -DE/DX = 0.0 ! ! D68 D(1,13,14,15) 103.0808 -DE/DX = 0.0 ! ! D69 D(1,13,14,23) -77.897 -DE/DX = 0.0 ! ! D70 D(12,13,14,15) -6.216 -DE/DX = 0.0 ! ! D71 D(12,13,14,23) 172.8062 -DE/DX = 0.0 ! ! D72 D(19,13,14,15) -159.2488 -DE/DX = 0.0 ! ! D73 D(19,13,14,23) 19.7735 -DE/DX = 0.0 ! ! D74 D(13,14,15,16) 6.3039 -DE/DX = 0.0 ! ! D75 D(13,14,15,20) -175.499 -DE/DX = 0.0 ! ! D76 D(23,14,15,16) -172.743 -DE/DX = 0.0 ! ! D77 D(23,14,15,20) 5.4541 -DE/DX = 0.0 ! ! D78 D(14,15,16,17) 0.0 -DE/DX = 0.0 ! ! D79 D(14,15,16,21) 178.0717 -DE/DX = 0.0 ! ! D80 D(20,15,16,17) -178.0718 -DE/DX = 0.0 ! ! D81 D(20,15,16,21) 0.0 -DE/DX = 0.0 ! ! D82 D(15,16,17,12) -6.3039 -DE/DX = 0.0 ! ! D83 D(15,16,17,22) 172.7431 -DE/DX = 0.0 ! ! D84 D(21,16,17,12) 175.4991 -DE/DX = 0.0 ! ! D85 D(21,16,17,22) -5.4539 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-275|Freq|RB3LYP|6-31G(d)|C11H10O2|JFA14|04- Nov-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,1.547637,-1.155326,0.496353|C,2 .611657,-0.699633,-0.301724|C,2.611657,0.699621,-0.301727|C,1.547637,1 .155318,0.496347|H,1.366347,-2.194893,0.746833|H,3.242008,-1.328841,-0 .921253|H,3.242008,1.328826,-0.921259|H,1.366348,2.194886,0.746823|C,1 .154477,-0.000002,1.383851|H,0.129299,-0.000001,1.753001|H,1.823284,0. 000001,2.260409|C,-0.11035,0.705663,-0.919468|C,-0.110356,-0.705668,-0 .919468|C,-1.196481,-1.459734,-0.249314|C,-2.191363,-0.671936,0.533224 |C,-2.191358,0.67195,0.533224|C,-1.196469,1.459739,-0.249314|H,0.35267 8,1.249088,-1.734962|H,0.35267,-1.249096,-1.734959|H,-2.930741,-1.2560 57,1.075535|H,-2.930731,1.256077,1.075534|O,-1.304569,2.679852,-0.3348 5|O,-1.304594,-2.679846,-0.334851||Version=EM64W-G09RevD.01|State=1-A| HF=-575.5265349|RMSD=3.284e-009|RMSF=3.678e-006|ZeroPoint=0.1811966|Th ermal=0.1914282|Dipole=0.987802,0.0000016,0.4582988|DipoleDeriv=-0.061 4324,0.1086771,-0.0189132,0.0536675,0.0608075,0.0211139,0.1698649,-0.0 503143,0.2119854,-0.0300312,0.0012656,-0.0768889,0.1003567,-0.0242257, 0.1468138,-0.2634862,0.2594167,-0.135905,-0.0300336,-0.0012684,-0.0768 903,-0.1003613,-0.0242229,-0.1468149,-0.2634877,-0.2594165,-0.1359028, -0.0614414,-0.1086759,-0.0189145,-0.0536629,0.0608062,-0.0211118,0.169 8622,0.0503134,0.2119837,0.0615593,-0.013149,0.0066323,-0.0098406,-0.0 228537,0.0149911,-0.0118408,0.0293003,0.039493,0.0651572,0.0299745,0.0 635427,0.0557515,0.0356533,-0.0440617,0.1257727,-0.0686369,0.0538115,0 .0651578,-0.0299741,0.0635429,-0.0557508,0.0356537,0.0440618,0.1257733 ,0.0686369,0.0538109,0.0615612,0.0131498,0.006633,0.0098408,-0.0228534 ,-0.0149906,-0.0118395,-0.0292994,0.0394935,0.0997255,-0.0000005,-0.01 3894,-0.0000002,-0.1239967,0.0000001,0.1243644,0.,-0.097908,-0.0070033 ,0.,0.0992783,-0.0000005,0.0299466,-0.0000004,0.0280554,-0.0000002,0.0 692172,-0.0145078,-0.0000001,-0.0699854,-0.0000006,0.0908172,-0.000000 9,-0.0822581,-0.0000003,-0.0453915,-0.4594798,0.3992092,-0.0040666,0.4 035836,-0.0686079,-0.0290395,0.2137216,-0.129055,-0.0282869,-0.4594955 ,-0.3992062,-0.0040685,-0.4035819,-0.0686056,0.029038,0.2137223,0.1290 544,-0.0282893,1.0735578,0.0981282,-0.0979792,0.4706491,1.1801515,0.16 34701,-0.5437515,0.012198,0.2849703,-0.1204735,0.2429302,-0.0013202,0. 2591429,-0.053489,-0.1146219,0.0309361,-0.1341562,-0.0826468,-0.120479 ,-0.2429301,-0.0013184,-0.259141,-0.0534885,0.1146215,0.0309384,0.1341 565,-0.0826476,1.0735475,-0.0981236,-0.0979821,-0.4706439,1.180156,-0. 1634684,-0.5437475,-0.0121956,0.2849714,0.0101033,-0.0404893,0.0310475 ,0.0207383,0.0030591,0.0438594,0.0500821,0.0046868,-0.000046,0.0101042 ,0.0404888,0.0310471,-0.0207383,0.0030593,-0.043859,0.0500832,-0.00468 72,-0.0000452,0.0021484,-0.0382023,0.0633561,-0.0557934,0.0261418,0.03 46774,0.0798284,0.017039,0.0604651,0.0021495,0.0382024,0.0633557,0.055 7935,0.0261412,-0.0346778,0.079828,-0.0170396,0.0604653,-0.5801938,0.0 558918,0.0268935,0.433889,-1.1350265,0.1320762,0.1137891,0.0684332,-0. 3667992,-0.5802002,-0.055898,0.026892,-0.4338975,-1.1350237,-0.1320766 ,0.1137891,-0.0684342,-0.3667991|Polar=142.2156188,0.0001628,138.83264 51,-6.8364406,-0.0000021,82.1099592|PG=C01 [X(C11H10O2)]|NImag=1||0.29 833284,0.10474253,0.71771527,-0.22873630,-0.06110509,0.35510931,-0.192 15351,-0.05982597,0.14400102,0.47402830,-0.01423041,-0.12419666,0.0456 8433,-0.07689252,0.66323138,0.11383684,0.04334946,-0.16138941,-0.28635 655,0.08876604,0.39624874,0.02241041,-0.02374278,0.00594590,-0.0939376 7,-0.01999732,0.03550847,0.47402917,-0.07316781,-0.03534515,0.02165683 ,0.01999757,-0.33319818,-0.02032260,0.07689066,0.66323062,-0.01290098, 0.01866260,0.00253073,0.03550839,0.02032359,-0.09002691,-0.28635729,-0 .08876692,0.39624977,-0.04839036,-0.00092521,-0.00623689,0.02241048,0. 07316773,-0.01290137,-0.19215394,0.01423122,0.11383711,0.29833297,0.00 092521,-0.06314808,0.00467446,0.02374281,-0.03534536,-0.01866240,0.059 82698,-0.12419710,-0.04334992,-0.10474388,0.71771596,-0.00623704,-0.00 467411,0.00039747,0.00594589,-0.02165641,0.00253081,0.14400145,-0.0456 8504,-0.16138916,-0.22873649,0.06110422,0.35510890,-0.04667555,-0.0442 1232,0.02395507,0.00114532,-0.02544899,0.00342446,-0.00270006,0.000455 31,0.00620731,-0.00029264,0.00422761,0.00012772,0.04838620,-0.05135063 ,-0.32859571,0.06274229,0.00215874,-0.00097371,-0.00103524,-0.00034176 ,-0.00000215,0.00100224,0.00103818,-0.00253975,-0.00223528,0.05317245, 0.34158194,0.02903388,0.06557584,-0.06336678,-0.00315193,0.01318657,0. 00119772,0.00375143,0.00323709,0.00180973,0.00292481,-0.00138612,-0.00 508980,-0.02395383,-0.06900033,0.05746828,-0.00520217,0.01557417,0.010 86703,-0.14764068,0.09407338,0.10452780,0.00445526,-0.00188114,-0.0021 1982,0.00323957,-0.00120009,0.00318224,-0.00095293,-0.00041494,-0.0016 9823,0.14700305,-0.00632507,0.01139637,0.00835117,0.09456833,-0.157168 94,-0.09674140,0.01859975,-0.00676636,-0.01728934,-0.00025197,-0.00624 265,-0.00036759,0.00082163,0.00019608,-0.00042260,-0.10511622,0.157922 10,0.00571133,-0.01100971,-0.00524662,0.10825431,-0.09852002,-0.139675 71,-0.00235964,0.00370166,0.00405026,0.00336643,0.00122342,0.00251534, -0.00203451,0.00025758,-0.00109623,-0.11771072,0.10524375,0.13824336,0 .00323957,0.00120011,0.00318223,0.00445527,0.00188112,-0.00211981,-0.1 4764069,-0.09407288,0.10452823,-0.00520219,-0.01557413,0.01086715,0.00 012617,-0.00007757,0.00003986,-0.00125121,-0.00039466,-0.00146986,0.14 700307,0.00025198,-0.00624265,0.00036763,-0.01859976,-0.00676630,0.017 28940,-0.09456783,-0.15716800,0.09674148,0.00632510,0.01139639,-0.0083 5125,-0.00134370,-0.00000422,0.00082210,0.00039466,0.00084370,-0.00060 432,0.10511568,0.15792111,0.00336643,-0.00122338,0.00251534,-0.0023595 4,-0.00370161,0.00405022,0.10825478,0.09852010,-0.13967667,0.00571131, 0.01100963,-0.00524662,-0.00031164,-0.00020147,0.00062307,-0.00146986, 0.00060431,-0.00142883,-0.11771126,-0.10524385,0.13824436,-0.00029263, -0.00422761,0.00012774,-0.00270007,-0.00045530,0.00620731,0.00114531,0 .02544906,0.00342438,-0.04667540,0.04421226,0.02395487,0.00180155,-0.0 0067747,0.00057686,0.00012616,0.00134370,-0.00031165,-0.00095293,-0.00 082164,-0.00203450,0.04838627,-0.00103816,-0.00253973,0.00223526,0.000 34177,-0.00000217,-0.00100223,-0.00215876,-0.00097375,0.00103523,0.051 35049,-0.32859652,-0.06274137,0.00067748,-0.00044392,-0.00053214,0.000 07757,-0.00000423,0.00020147,0.00041493,0.00019609,-0.00025758,-0.0531 7228,0.34158280,0.00292484,0.00138611,-0.00508982,0.00375140,-0.003237 11,0.00180977,-0.00315198,-0.01318652,0.00119775,0.02903365,-0.0655748 5,-0.06336631,0.00057686,0.00053216,0.00184041,0.00003987,-0.00082209, 0.00062307,-0.00169823,0.00042259,-0.00109623,-0.02395348,0.06899935,0 .05746784,-0.06935939,0.02073844,0.03105417,-0.02127744,0.01204614,0.0 3077114,-0.02127747,-0.01204602,0.03077124,-0.06935926,-0.02073813,0.0 3105417,0.00034275,-0.00329591,-0.00559895,-0.00049944,-0.00288191,0.0 0619870,-0.00049946,0.00288194,0.00619868,0.00034272,0.00329584,-0.005 59895,0.63451591,0.02795755,-0.15268328,-0.05832201,0.00706979,0.00330 840,-0.00743216,-0.00706971,0.00330842,0.00743201,-0.02795721,-0.15268 238,0.05832199,0.00529576,-0.00890379,-0.01775133,-0.00207050,-0.00100 924,0.00025987,0.00207053,-0.00100924,-0.00025985,-0.00529578,-0.00890 375,0.01775142,-0.00000029,0.40426275,0.04315507,-0.04775179,-0.099695 20,0.01235871,-0.00951840,-0.02441460,0.01235869,0.00951829,-0.0244146 8,0.04315524,0.04775172,-0.09969544,-0.00489227,0.00854577,0.00929423, 0.00356760,0.00138782,0.00208352,0.00356758,-0.00138781,0.00208351,-0. 00489227,-0.00854569,0.00929420,-0.05529971,0.00000069,0.54060155,-0.0 0240287,-0.00038871,-0.00037780,-0.00062117,-0.00068387,0.00060979,-0. 00062117,0.00068388,0.00060979,-0.00240287,0.00038871,-0.00037781,0.00 010699,0.00029655,0.00025705,0.00030343,-0.00011496,0.00025592,0.00030 343,0.00011496,0.00025593,0.00010699,-0.00029655,0.00025705,-0.2965420 4,0.00000023,0.08968005,0.32319706,0.02478387,0.00469029,-0.00600572,0 .00101803,-0.00467699,-0.00386870,-0.00101801,-0.00467697,0.00386872,- 0.02478379,0.00469031,0.00600566,-0.00077115,0.00025363,0.00029165,0.0 0034967,0.00084229,-0.00134903,-0.00034967,0.00084230,0.00134902,0.000 77114,0.00025363,-0.00029165,0.00000024,-0.05195004,-0.00000007,-0.000 00025,0.05053573,0.01388605,0.00240260,-0.00765609,0.00182420,-0.00342 274,-0.00062095,0.00182420,0.00342276,-0.00062100,0.01388614,-0.002402 67,-0.00765611,-0.00066549,-0.00008269,0.00004944,0.00056202,0.0003939 7,-0.00072974,0.00056203,-0.00039398,-0.00072974,-0.00066549,0.0000826 9,0.00004945,0.08463840,-0.00000005,-0.07478062,-0.09146479,0.00000009 ,0.08485519,0.00242773,-0.00084249,0.00350338,-0.00070350,-0.00299928, 0.00323504,-0.00070349,0.00299930,0.00323503,0.00242770,0.00084249,0.0 0350337,0.00032485,-0.00023361,-0.00048250,-0.00043284,0.00003254,-0.0 0058200,-0.00043284,-0.00003255,-0.00058200,0.00032485,0.00023361,-0.0 0048250,-0.13709682,-0.00000036,-0.11874273,-0.01783283,-0.00000007,-0 .02426899,0.15137124,-0.01211963,-0.00193547,-0.02341897,0.00050847,-0 .00162558,-0.00069462,-0.00050848,-0.00162555,0.00069463,0.01211959,-0 .00193533,0.02341888,0.00033813,-0.00014428,0.00094401,0.00065739,-0.0 0008860,0.00078975,-0.00065739,-0.00008861,-0.00078975,-0.00033812,-0. 00014428,-0.00094401,-0.00000041,-0.03303414,-0.00000057,0.00000001,0. 00032305,0.00000002,0.00000043,0.04299192,-0.00739374,-0.00031663,-0.0 1468529,-0.00082727,-0.00116355,0.00040589,-0.00082727,0.00116356,0.00 040589,-0.00739382,0.00031656,-0.01468542,0.00038387,-0.00032991,0.000 36925,0.00062353,-0.00007167,0.00049735,0.00062354,0.00007167,0.000497 36,0.00038387,0.00032991,0.00036926,-0.12300186,-0.00000055,-0.2016734 4,0.00558486,0.00000003,0.00933349,0.13313223,0.00000058,0.22256587,0. 00965153,0.00205852,0.00262333,-0.01541904,-0.01492692,0.00099065,-0.0 2944747,0.02925261,0.00568420,0.05296344,0.00576642,0.02816417,-0.0005 3838,-0.00028467,-0.00109384,0.00085944,-0.00051601,0.00066245,-0.0001 3740,-0.00004993,0.00000689,-0.00319698,-0.00015634,-0.00310046,-0.009 00183,0.00368381,-0.01245962,-0.00039568,-0.00065504,0.00063299,-0.000 08166,0.00064471,-0.00090677,0.32011493,0.05250616,-0.00588672,0.01688 939,-0.01570591,-0.02952944,0.01451709,-0.02312893,0.02510867,0.012075 48,0.04479802,-0.01051920,0.01304728,-0.00075276,-0.00039994,-0.001393 87,-0.00070073,-0.00026307,-0.00054857,-0.00020263,0.00036620,-0.00027 468,-0.00466899,-0.00016771,-0.00464140,-0.00463823,-0.00075970,-0.009 32114,-0.00030860,-0.00031138,0.00094582,-0.00033740,-0.00168925,-0.00 196120,-0.03687335,0.64080016,0.02012644,0.00318647,-0.00043366,-0.007 32077,-0.01823836,0.00813471,-0.01683330,0.01804324,0.00631986,0.04145 712,0.00666596,0.00362004,-0.00077402,-0.00018033,-0.00092844,-0.00032 620,-0.00016062,-0.00006050,0.00017168,0.00036800,-0.00002989,-0.00172 346,0.00017917,-0.00195486,-0.01448619,0.00389899,-0.01915841,-0.00083 557,0.00037683,0.00001750,-0.00044099,0.00235244,-0.00176325,-0.249124 95,-0.12095840,0.40151936,0.05296274,-0.00576632,0.02816379,-0.0294470 1,-0.02925234,0.00568423,-0.01541890,0.01492676,0.00099044,0.00965110, -0.00205863,0.00262324,-0.00319691,0.00015632,-0.00310040,-0.00013741, 0.00004993,0.00000689,0.00085944,0.00051600,0.00066245,-0.00053840,0.0 0028465,-0.00109386,-0.00900178,-0.00368387,-0.01245942,-0.00039568,0. 00065504,0.00063296,-0.00008165,-0.00064471,-0.00090674,-0.07979582,-0 .02297482,0.02382648,0.32011708,-0.04479755,-0.01051894,-0.01304702,0. 02312885,0.02510852,-0.01207549,0.01570594,-0.02952948,-0.01451697,-0. 05250650,-0.00588671,-0.01688963,0.00466887,-0.00016764,0.00464128,0.0 0020263,0.00036620,0.00027467,0.00070074,-0.00026306,0.00054857,0.0007 5279,-0.00039992,0.00139391,0.00463827,-0.00075963,0.00932117,0.000308 60,-0.00031138,-0.00094582,0.00033739,-0.00168927,0.00196121,0.0229732 1,-0.31879056,0.02759630,0.03687434,0.64080066,0.04145652,-0.00666590, 0.00361996,-0.01683308,-0.01804299,0.00631989,-0.00732066,0.01823829,0 .00813462,0.02012647,-0.00318656,-0.00043356,-0.00172340,-0.00017920,- 0.00195480,0.00017168,-0.00036799,-0.00002989,-0.00032621,0.00016061,- 0.00006050,-0.00077404,0.00018032,-0.00092847,-0.01448604,-0.00389902, -0.01915821,-0.00083557,-0.00037685,0.00001750,-0.00044100,-0.00235241 ,-0.00176321,0.02382614,-0.02759636,-0.09627412,-0.24912599,0.12096120 ,0.40152052,-0.02140376,-0.00105143,-0.00961853,0.00019126,0.00287792, -0.00023258,0.00131953,0.00044432,0.00204343,0.00462932,0.00030385,0.0 0087794,0.00037064,0.00013921,0.00088918,0.00034312,-0.00004672,-0.000 01485,-0.00048558,0.00006797,-0.00049750,0.00027806,0.00024837,0.00025 024,0.00193444,0.00002667,0.00095595,0.00052074,-0.00043938,0.00017581 ,0.00018796,0.00097179,0.00077212,-0.00146409,-0.00369325,-0.00787928, -0.14563195,-0.03848303,0.07592761,0.41005672,-0.01261512,0.00038485,- 0.00761090,0.00112352,0.00219641,-0.00135415,0.00147108,0.00000718,0.0 0248851,0.00319838,-0.00188911,-0.00021369,0.00484279,-0.00069682,0.00 313212,0.00014644,-0.00000454,-0.00013390,-0.00014820,-0.00015295,-0.0 0019716,-0.00025070,-0.00003733,0.00012759,0.00049959,0.00082893,0.001 89909,-0.00056590,0.00031241,-0.00074526,0.00046436,0.00057003,0.00036 648,-0.02332094,-0.02380547,0.01368670,-0.02049123,-0.09938758,0.01865 059,0.05898866,0.89413509,-0.00302379,-0.00052369,0.00417137,0.0020088 2,0.00003322,-0.00152111,-0.00062673,-0.00512231,-0.00402314,-0.009204 37,-0.00069527,-0.00134251,-0.00168007,-0.00000261,-0.00063562,-0.0000 6185,0.00026869,-0.00002204,0.00034733,-0.00000351,0.00014269,0.000083 74,-0.00008348,-0.00014480,-0.00186074,-0.00133459,0.00003517,-0.00075 971,-0.00089178,-0.00121736,0.00016455,-0.00032235,-0.00007203,0.00389 621,0.01316918,0.00264278,0.06236569,0.00688872,-0.11173348,-0.1475575 9,0.04815644,0.31330444,0.00205149,-0.00064139,0.00004382,-0.00092133, -0.00176599,0.00077802,-0.00166096,0.00187317,0.00073392,0.00152117,0. 00031079,-0.00012176,-0.00000200,0.00007935,-0.00016613,0.00004031,-0. 00002997,-0.00001769,0.00007183,0.00001721,0.00005696,0.00001608,0.000 00666,-0.00006517,-0.00108738,-0.00005792,-0.00057682,-0.00163056,-0.0 0010228,-0.00054252,0.00024297,-0.00003191,-0.00017215,-0.00175189,0.0 0137842,0.00016718,-0.01381016,0.01025724,0.02148588,-0.15860812,0.019 13306,0.06006065,0.43038670,-0.00249452,0.00051895,-0.00056211,0.00154 586,0.00198488,-0.00058835,0.00119661,-0.00131845,-0.00061075,-0.00030 246,-0.00067032,0.00047083,-0.00007960,-0.00005518,0.00005581,0.000084 01,-0.00001296,-0.00001191,-0.00007890,-0.00003006,-0.00016796,-0.0001 0348,0.00007434,0.00001475,0.00055685,0.00015113,0.00003613,-0.0006955 3,-0.00011104,-0.00047241,-0.00006536,-0.00002887,0.00011720,0.0012935 6,-0.00155067,-0.00143765,-0.00411230,0.01523367,0.00698608,0.01603555 ,-0.08836447,-0.01267258,0.06937141,0.83091474,0.00038006,-0.00019812, -0.00065328,0.00002007,0.00052085,0.00033724,0.00051913,0.00020283,0.0 0062339,0.00014278,0.00031946,-0.00082190,0.00000263,-0.00001548,0.000 01636,-0.00006357,-0.00005139,0.00002605,-0.00003671,0.00000948,0.0000 5231,-0.00002298,-0.00001470,0.00004059,0.00042350,-0.00036085,-0.0004 4880,-0.00109997,0.00005665,0.00023622,-0.00029015,-0.00007612,0.00013 649,0.00090384,-0.00303306,-0.00000910,0.01803295,-0.00328002,-0.00089 817,0.05841043,-0.01606557,-0.12056351,-0.23164775,-0.04067960,0.28996 358,0.00152112,-0.00031081,-0.00012178,-0.00166095,-0.00187316,0.00073 392,-0.00092134,0.00176600,0.00077801,0.00205153,0.00064139,0.00004385 ,0.00001608,-0.00000666,-0.00006517,0.00007184,-0.00001721,0.00005697, 0.00004031,0.00002997,-0.00001769,-0.00000200,-0.00007935,-0.00016613, -0.00108739,0.00005795,-0.00057683,-0.00163056,0.00010229,-0.00054252, 0.00024297,0.00003191,-0.00017215,-0.01381018,-0.01025698,0.02148582,- 0.00175187,-0.00137842,0.00016721,0.00685335,0.01878871,-0.00377910,-0 .09793327,0.00696513,0.03827074,0.43038629,0.00030243,-0.00067032,-0.0 0047084,-0.00119659,-0.00131842,0.00061075,-0.00154586,0.00198487,0.00 058834,0.00249454,0.00051894,0.00056213,0.00010348,0.00007434,-0.00001 475,0.00007890,-0.00003006,0.00016796,-0.00008402,-0.00001296,0.000011 91,0.00007960,-0.00005517,-0.00005581,-0.00055684,0.00015116,-0.000036 13,0.00069554,-0.00011106,0.00047241,0.00006536,-0.00002887,-0.0001172 0,0.00411254,0.01523366,-0.00698632,-0.00129355,-0.00155064,0.00143766 ,0.00755851,-0.02940145,-0.00682378,-0.00696817,-0.51893715,0.00408102 ,-0.06936917,0.83091616,0.00014280,-0.00031947,-0.00082190,0.00051912, -0.00020284,0.00062340,0.00002007,-0.00052084,0.00033724,0.00038007,0. 00019812,-0.00065329,-0.00002297,0.00001470,0.00004059,-0.00003672,-0. 00000948,0.00005231,-0.00006357,0.00005139,0.00002605,0.00000263,0.000 01549,0.00001635,0.00042350,0.00036086,-0.00044880,-0.00109996,-0.0000 5665,0.00023622,-0.00029014,0.00007613,0.00013649,0.01803297,0.0032798 3,-0.00089811,0.00090386,0.00303305,-0.00000910,-0.00347344,-0.0155975 0,0.00346552,0.03827071,-0.00408133,-0.07463907,-0.23164796,0.04068196 ,0.28996356,0.00462925,-0.00030388,0.00087795,0.00131946,-0.00044436,0 .00204338,0.00019122,-0.00287782,-0.00023255,-0.02140391,0.00105141,-0 .00961858,0.00027806,-0.00024836,0.00025023,-0.00048558,-0.00006797,-0 .00049749,0.00034312,0.00004671,-0.00001485,0.00037053,-0.00013920,0.0 0088913,0.00193440,-0.00002664,0.00095590,0.00052075,0.00043938,0.0001 7581,0.00018796,-0.00097178,0.00077212,-0.14563093,0.03848348,0.075927 11,-0.00146377,0.00369287,-0.00787931,0.01495306,0.00344661,-0.0186239 6,0.00685318,-0.00755892,-0.00347338,-0.15860848,-0.01603475,0.0584106 0,0.41005539,-0.00319841,-0.00188909,0.00021373,-0.00147105,0.00000723 ,-0.00248854,-0.00112348,0.00219632,0.00135416,0.01261531,0.00038494,0 .00761101,0.00025069,-0.00003734,-0.00012760,0.00014820,-0.00015295,0. 00019716,-0.00014645,-0.00000454,0.00013390,-0.00484289,-0.00069685,-0 .00313217,-0.00049957,0.00082891,-0.00189911,0.00056590,0.00031240,0.0 0074527,-0.00046436,0.00057004,-0.00036649,0.02049149,-0.09938790,-0.0 1865112,0.02332066,-0.02380553,-0.01368663,-0.00344667,0.00074594,-0.0 0008192,-0.01878911,-0.02940132,0.01559760,-0.01913237,-0.08836421,0.0 1606508,-0.05898330,0.89413736,-0.00920433,0.00069530,-0.00134247,-0.0 0062666,0.00512233,-0.00402317,0.00200887,-0.00003331,-0.00152112,-0.0 0302401,0.00052376,0.00417133,0.00008374,0.00008347,-0.00014480,0.0003 4732,0.00000351,0.00014268,-0.00006185,-0.00026869,-0.00002204,-0.0016 8010,0.00000263,-0.00063560,-0.00186073,0.00133457,0.00003516,-0.00075 971,0.00089179,-0.00121737,0.00016455,0.00032235,-0.00007203,0.0623653 2,-0.00688913,-0.11173324,0.00389602,-0.01316910,0.00264273,-0.0186240 0,0.00008204,0.00268052,-0.00377901,0.00682387,0.00346552,0.06006074,0 .01267204,-0.12056359,-0.14755765,-0.04815499,0.31330429,-0.00269813,0 .00099335,-0.00197487,0.00144753,0.00148114,-0.00013976,0.00090647,-0. 00227017,-0.00435033,-0.00747472,0.00239523,-0.00944922,-0.00012361,0. 00005643,0.00004107,-0.00004686,0.00008984,-0.00000134,-0.00008775,-0. 00008271,0.00022634,0.00065471,-0.00005266,0.00054340,-0.00045039,-0.0 0025918,0.00002246,-0.00006649,0.00013972,-0.00011919,-0.00013333,0.00 064892,-0.00011365,-0.08821500,-0.05425700,0.10900491,0.00348414,-0.00 318540,0.00123264,0.00333718,-0.00016364,0.00165670,0.00035746,0.00056 303,-0.00069520,-0.00260023,0.00398597,0.00228596,-0.01139186,-0.01273 831,0.02002886,0.10410299,-0.00073685,-0.00068361,-0.00032878,0.000062 22,0.00007230,-0.00005891,0.00074435,0.00020421,-0.00041206,-0.0006899 1,0.00101688,-0.00191532,0.00016059,0.00002756,0.00015322,0.00003753,- 0.00003333,0.00002209,0.00007155,0.00010699,0.00010846,0.00014252,0.00 008196,-0.00002748,-0.00028481,-0.00001939,-0.00034697,-0.00000062,-0. 00001744,-0.00002395,0.00000810,0.00020472,-0.00003251,-0.05931455,-0. 12524568,0.11133390,-0.01598158,-0.01240706,0.02333469,0.00589563,-0.0 0296270,-0.00067274,-0.00021173,-0.00001184,-0.00022865,0.00241862,-0. 00147681,-0.00056880,0.00601703,0.00948334,-0.01317757,0.06499542,0.13 090449,-0.00251584,0.00003485,-0.00094205,0.00171075,0.00237027,-0.000 28627,0.00220576,-0.00328339,-0.00075047,-0.00575645,0.00136823,-0.007 05742,-0.00004386,0.00003716,0.00009555,0.00000238,0.00001157,0.000026 66,-0.00030168,-0.00003125,0.00000260,0.00025717,-0.00019799,0.0000370 0,0.00008084,-0.00028506,0.00007099,-0.00005838,0.00002991,0.00006026, -0.00016557,0.00040896,-0.00009014,0.11450099,0.11586775,-0.21144696,- 0.00111002,-0.00573046,0.00790871,0.00396713,-0.00199217,0.00230755,-0 .00051525,0.00029730,-0.00031263,0.00187221,-0.00198164,0.00043812,0.0 0396913,0.01231250,-0.00887914,-0.11316161,-0.11782638,0.21838508,-0.0 0747463,-0.00239520,-0.00944903,0.00090648,0.00227019,-0.00435025,0.00 144754,-0.00148116,-0.00013975,-0.00269815,-0.00099335,-0.00197486,0.0 0065470,0.00005266,0.00054339,-0.00008775,0.00008271,0.00022633,-0.000 04686,-0.00008984,-0.00000134,-0.00012361,-0.00005642,0.00004107,-0.00 045037,0.00025918,0.00002246,-0.00006650,-0.00013972,-0.00011919,-0.00 013334,-0.00064892,-0.00011365,0.00348434,0.00318517,0.00123241,-0.088 21517,0.05425806,0.10900565,-0.01139179,0.01273848,0.02002889,-0.00260 027,-0.00398596,0.00228599,0.00035745,-0.00056304,-0.00069519,0.003337 13,0.00016360,0.00165672,-0.00120373,-0.00039537,-0.00196278,0.1041028 3,0.00068997,0.00101688,0.00191534,-0.00074435,0.00020418,0.00041209,- 0.00006223,0.00007230,0.00005890,0.00073686,-0.00068360,0.00032879,-0. 00014252,0.00008196,0.00002748,-0.00007155,0.00010699,-0.00010846,-0.0 0003753,-0.00003333,-0.00002209,-0.00016058,0.00002756,-0.00015322,0.0 0028480,-0.00001940,0.00034697,0.00000062,-0.00001743,0.00002395,-0.00 000810,0.00020472,0.00003251,0.01598153,-0.01240722,-0.02333469,0.0593 1550,-0.12524727,-0.11133602,-0.00601696,0.00948337,0.01317744,-0.0024 1863,-0.00147677,0.00056878,0.00021173,-0.00001184,0.00022865,-0.00589 567,-0.00296265,0.00067275,0.00039538,0.00130382,0.00064303,-0.0649964 2,0.13090621,-0.00575636,-0.00136821,-0.00705728,0.00220576,0.00328337 ,-0.00075046,0.00171074,-0.00237027,-0.00028626,-0.00251585,-0.0000348 5,-0.00094206,0.00025716,0.00019799,0.00003699,-0.00030167,0.00003125, 0.00000260,0.00000238,-0.00001157,0.00002666,-0.00004385,-0.00003716,0 .00009556,0.00008086,0.00028507,0.00007099,-0.00005838,-0.00002991,0.0 0006026,-0.00016557,-0.00040896,-0.00009014,-0.00110997,0.00573045,0.0 0790872,0.11450177,-0.11586991,-0.21144804,0.00396905,-0.01231255,-0.0 0887908,0.00187224,0.00198162,0.00043814,-0.00051525,-0.00029731,-0.00 031263,0.00396717,0.00199216,0.00230756,-0.00196279,-0.00064302,-0.000 71706,-0.11316247,0.11782857,0.21838594,0.00011768,0.00006053,0.000200 70,0.00018396,0.00024016,-0.00003283,0.00019984,-0.00023624,-0.0002355 1,-0.00043353,-0.00007221,0.00005600,-0.00008186,0.00001175,-0.0000134 4,0.00002241,0.00000340,-0.00000014,0.00001612,-0.00000540,0.00000588, -0.00000305,0.00000096,-0.00000087,-0.00018036,0.00000517,-0.00003036, 0.00000192,-0.00007897,0.00007007,-0.00002946,-0.00004126,-0.00001636, 0.00043217,0.00046484,-0.00125313,-0.00099961,0.00342027,0.00260360,-0 .01211950,-0.01495337,0.01067425,-0.18433956,-0.10331614,0.10685712,0. 00666903,0.00255901,0.00128074,0.00534377,0.00157865,0.00591258,0.0000 0070,-0.00018662,-0.00014943,-0.00089209,-0.00066051,0.00068175,0.1865 7133,-0.00029541,0.00001792,-0.00005796,-0.00003160,0.00013223,-0.0001 1770,0.00010593,-0.00000767,0.00001150,0.00010964,-0.00002893,0.000102 46,0.00001044,0.00001130,0.00000158,0.00000635,0.00000520,0.00001206,- 0.00000225,-0.00000560,0.00000031,0.00001831,0.00001324,0.00001740,-0. 00002543,0.00001612,0.00003736,0.00001244,-0.00001902,0.00004181,-0.00 002285,0.00002519,0.00000470,-0.00038562,-0.00018917,0.00026941,0.0017 9333,-0.00221332,-0.00178175,0.01265794,0.01022055,-0.00912486,-0.1037 4102,-0.13613721,0.07572269,-0.02370032,-0.01261512,0.01744868,0.00393 638,-0.00209386,-0.00355241,-0.00013334,0.00009447,0.00012751,0.000681 92,0.00059364,-0.00044770,0.11148813,0.14186977,-0.00031888,0.00001506 ,-0.00016903,0.00006113,0.00032240,-0.00000312,0.00032978,-0.00007818, 0.00001639,-0.00019081,-0.00007079,-0.00001254,0.00000297,0.00001166,0 .00002260,0.00000374,-0.00000128,0.00000081,-0.00001382,-0.00000769,-0 .00000720,0.00000179,0.00000875,0.00002375,-0.00000973,0.00003543,0.00 008316,0.00005061,-0.00002089,0.00006127,0.00000112,0.00000595,0.00002 585,-0.00093961,-0.00013490,-0.00088974,0.00193480,-0.00261941,-0.0006 6344,0.01190966,0.01222635,-0.00395640,0.10577334,0.07448271,-0.118310 30,0.00043669,-0.00093133,0.00819131,0.00751096,-0.00081491,0.00835856 ,-0.00008380,0.00000320,-0.00020666,0.00079453,0.00025560,0.00000896,- 0.11833692,-0.08171093,0.11262167,-0.00043353,0.00007221,0.00005600,0. 00019984,0.00023624,-0.00023551,0.00018397,-0.00024017,-0.00003283,0.0 0011768,-0.00006053,0.00020070,-0.00000305,-0.00000096,-0.00000087,0.0 0001612,0.00000540,0.00000588,0.00002241,-0.00000340,-0.00000014,-0.00 008186,-0.00001175,-0.00001344,-0.00018036,-0.00000517,-0.00003036,0.0 0000192,0.00007897,0.00007007,-0.00002946,0.00004126,-0.00001636,-0.00 099965,-0.00342027,0.00260361,0.00043217,-0.00046484,-0.00125313,0.005 34372,-0.00157871,0.00591260,0.00666919,-0.00255919,0.00128058,-0.1843 3852,0.10331723,0.10685700,-0.01211949,0.01495355,0.01067432,-0.000892 09,0.00066052,0.00068175,0.00000071,0.00018662,-0.00014944,-0.00175900 ,0.00033417,-0.00382077,0.18657017,-0.00010964,-0.00002894,-0.00010247 ,-0.00010592,-0.00000767,-0.00001150,0.00003160,0.00013223,0.00011770, 0.00029541,0.00001792,0.00005796,-0.00001830,0.00001324,-0.00001740,0. 00000225,-0.00000560,-0.00000031,-0.00000635,0.00000520,-0.00001206,-0 .00001044,0.00001130,-0.00000158,0.00002543,0.00001612,-0.00003736,-0. 00001244,-0.00001902,-0.00004181,0.00002285,0.00002519,-0.00000470,-0. 00179334,-0.00221328,0.00178173,0.00038562,-0.00018917,-0.00026941,-0. 00393645,-0.00209379,0.00355238,0.02370017,-0.01261528,-0.01744867,0.1 0374210,-0.13613930,-0.07572395,-0.01265778,0.01022056,0.00912477,-0.0 0068190,0.00059364,0.00044770,0.00013334,0.00009447,-0.00012751,-0.000 33415,0.00096969,0.00011458,-0.11148917,0.14187194,-0.00019081,0.00007 079,-0.00001253,0.00032978,0.00007818,0.00001640,0.00006113,-0.0003223 9,-0.00000312,-0.00031887,-0.00001506,-0.00016903,0.00000179,-0.000008 75,0.00002374,-0.00001382,0.00000769,-0.00000720,0.00000374,0.00000128 ,0.00000081,0.00000297,-0.00001166,0.00002260,-0.00000973,-0.00003543, 0.00008316,0.00005061,0.00002089,0.00006127,0.00000112,-0.00000595,0.0 0002585,0.00193482,0.00261939,-0.00066343,-0.00093961,0.00013491,-0.00 088973,0.00751098,0.00081485,0.00835854,0.00043665,0.00093133,0.008191 31,0.10577324,-0.07448394,-0.11831033,0.01190957,-0.01222646,-0.003956 41,0.00079453,-0.00025560,0.00000896,-0.00008380,-0.00000320,-0.000206 66,-0.00382078,-0.00011455,-0.00423180,-0.11833673,0.08171226,0.112621 71,-0.00171845,0.00039172,-0.00019793,-0.00020455,0.00094732,-0.000819 03,0.00039904,0.00025087,-0.00116336,0.00086051,0.00119749,0.00211093, -0.00010000,0.00007811,-0.00006121,0.00024610,0.00008357,0.00024172,0. 00001007,-0.00008187,0.00001297,0.00111371,0.00030724,0.00107877,-0.00 085951,0.00004673,0.00008034,-0.00022741,-0.00008205,-0.00027627,-0.00 002351,0.00022019,-0.00020717,0.00388497,0.04235425,-0.00059736,-0.001 50482,0.00125059,0.00559235,-0.00690044,-0.00050422,0.00579672,-0.0019 8879,-0.00351776,0.00300617,0.01812348,-0.03125900,0.00679387,-0.09231 281,0.05024362,0.01418227,0.00164022,-0.00091843,-0.00224993,-0.000547 16,0.00249360,-0.00125734,-0.00099948,-0.00141928,-0.00200711,0.002278 58,0.00139786,-0.00308965,0.07610615,0.00413331,0.00023868,-0.00009054 ,-0.00074160,-0.00180101,0.00245281,-0.00004933,0.00036500,0.00094367, -0.00618616,-0.00161499,-0.00639204,0.00011071,0.00005721,0.00026052,- 0.00024816,0.00006437,-0.00029170,0.00012983,0.00003919,-0.00022648,0. 00236661,0.00066721,0.00168312,0.00044627,-0.00056897,0.00050431,-0.00 025749,-0.00041713,-0.00002843,0.00028133,-0.00042837,0.00026517,0.034 87469,-0.05514368,-0.00609155,0.00285656,0.00675119,-0.00629993,0.0015 5591,-0.00023271,0.00015574,-0.00747783,0.00747577,0.00506865,-0.01610 928,-0.06563142,0.02069558,0.05065247,-0.66985812,0.04704575,-0.001626 15,0.00075269,-0.00227634,0.00029394,-0.00198924,0.00035209,-0.0006149 9,-0.00238405,-0.00055403,-0.00066701,0.00172461,0.00053738,-0.0636020 8,0.78149062,0.00183848,-0.00044215,0.00021437,-0.00016483,-0.00125413 ,0.00092320,-0.00085873,0.00073302,0.00011373,0.00041931,-0.00021920,0 .00000291,0.00008445,-0.00001094,0.00009645,-0.00003881,0.00003234,0.0 0002360,-0.00005395,0.00003060,0.00000916,0.00099403,0.00014279,0.0002 3204,0.00025872,-0.00020410,0.00007628,0.00005799,-0.00008487,0.000095 46,-0.00000312,-0.00014233,0.00006296,0.00294923,-0.02105093,0.0149299 7,0.00156104,0.00033801,0.00115078,0.00454430,-0.00020516,-0.00221594, 0.00390946,0.00160323,-0.00121879,0.00401574,0.03251612,0.01434846,0.0 1569445,0.04520224,-0.08078143,-0.00354437,0.00113164,0.00174056,-0.00 024074,-0.00043156,-0.00039322,-0.00131115,0.00148245,-0.00140316,-0.0 0314178,-0.00162792,0.00043905,-0.02539961,-0.05762644,0.05061214,0.00 086064,-0.00119746,0.00211100,0.00039903,-0.00025088,-0.00116335,-0.00 020456,-0.00094733,-0.00081906,-0.00171851,-0.00039170,-0.00019793,0.0 0111368,-0.00030720,0.00107872,0.00001007,0.00008187,0.00001298,0.0002 4611,-0.00008357,0.00024172,-0.00010000,-0.00007811,-0.00006122,-0.000 85951,-0.00004673,0.00008033,-0.00022741,0.00008205,-0.00027627,-0.000 02351,-0.00022020,-0.00020718,-0.00150482,-0.00125047,0.00559245,0.003 88425,-0.04235493,-0.00059731,-0.09231388,-0.05024965,0.01418175,0.018 12392,0.03125811,0.00679369,-0.00198866,0.00351788,0.00300608,-0.00690 046,0.00050426,0.00579673,-0.00054718,-0.00249361,-0.00125734,0.001640 23,0.00091846,-0.00224992,0.00227858,-0.00139785,-0.00308965,-0.000999 46,0.00141926,-0.00200711,0.00272408,-0.00012153,-0.00157013,0.0761073 6,0.00618619,-0.00161487,0.00639199,0.00004931,0.00036492,-0.00094364, 0.00074159,-0.00180100,-0.00245281,-0.00413336,0.00023870,0.00009050,- 0.00236660,0.00066720,-0.00168312,-0.00012984,0.00003919,0.00022648,0. 00024816,0.00006437,0.00029170,-0.00011070,0.00005721,-0.00026051,-0.0 0044628,-0.00056899,-0.00050431,0.00025748,-0.00041714,0.00002843,-0.0 0028133,-0.00042837,-0.00026516,-0.00285638,0.00675133,0.00629990,-0.0 3487537,-0.05514308,0.00609158,-0.05065839,-0.66985584,-0.04704633,0.0 1610847,-0.06563188,-0.02069575,0.00747793,0.00747565,-0.00506867,-0.0 0155593,-0.00023269,-0.00015576,-0.00029396,-0.00198921,-0.00035209,0. 00162616,0.00075267,0.00227637,0.00066700,0.00172462,-0.00053734,0.000 61499,-0.00238407,0.00055406,0.00012153,0.00044318,0.00008729,0.063609 33,0.78148812,0.00041931,0.00021918,0.00000289,-0.00085873,-0.00073299 ,0.00011373,-0.00016481,0.00125413,0.00092318,0.00183848,0.00044214,0. 00021438,0.00099402,-0.00014278,0.00023205,-0.00005395,-0.00003060,0.0 0000916,-0.00003881,-0.00003233,0.00002360,0.00008445,0.00001094,0.000 09645,0.00025872,0.00020410,0.00007628,0.00005799,0.00008487,0.0000954 6,-0.00000312,0.00014233,0.00006296,0.00156103,-0.00033802,0.00115080, 0.00294943,0.02105083,0.01493003,0.01569395,-0.04520277,-0.08078154,0. 00401542,-0.03251622,0.01434837,0.00390945,-0.00160326,-0.00121879,0.0 0454429,0.00020513,-0.00221594,-0.00024074,0.00043155,-0.00039322,-0.0 0354438,-0.00113162,0.00174053,-0.00314177,0.00162794,0.00043905,-0.00 131115,-0.00148244,-0.00140315,-0.00157012,-0.00008729,0.00094142,-0.0 2539897,0.05762720,0.05061230||0.00000606,-0.00000251,-0.00000117,0.00 001044,-0.00000756,0.00000428,0.00000989,0.00000776,0.00000458,0.00000 652,0.00000262,-0.00000144,-0.00000331,-0.00000041,0.00000218,-0.00000 045,0.00000009,0.00000139,-0.00000049,-0.00000011,0.00000140,-0.000003 38,0.00000031,0.00000213,-0.00000342,-0.00000010,-0.00000282,-0.000001 50,0.00000001,-0.00000105,-0.00000032,0.00000005,0.00000114,-0.0000099 6,-0.00000916,-0.00000219,-0.00000976,0.00000835,-0.00000305,0.0000013 0,0.00000152,0.,0.00000012,-0.00000147,0.00000049,-0.00000035,0.000001 68,0.00000093,0.00000134,-0.00000132,0.00000001,-0.00000265,0.00000060 ,-0.00000209,-0.00000312,0.00000002,-0.00000133,0.00000021,-0.00000065 ,-0.00000022,0.00000052,0.00000045,-0.00000049,0.00000122,0.00000171,- 0.00000133,0.00000108,-0.00000189,-0.00000135|||@ HE THAT WALD REACHE THE SWEITE ROSE SULD NOW AND THEN BE SCRATCHED WT THE SCHARPE BREERES. -- PROVERBS AND REASONS OF THE YEAR 1585 AS REPRINTED IN PAISLEY MAGAZINE 1828. Job cpu time: 0 days 0 hours 15 minutes 21.0 seconds. File lengths (MBytes): RWF= 132 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Fri Nov 04 08:23:33 2016.