Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 3216. 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 10-Nov-2016 ****************************************** %chk=H:\Trans_states_complab\MDF_ex2_exo_B3LYP_MOs.chk 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 2.19135 -0.67196 0.53322 H 2.93072 -1.2561 1.07554 C 2.19137 0.67192 0.53322 H 2.93075 1.25604 1.07553 C 1.19649 1.45973 -0.24931 C 0.11036 0.70567 -0.91947 H -0.35266 1.2491 -1.73496 C 0.11035 -0.70566 -0.91947 H -0.35269 -1.24908 -1.73496 C 1.19646 -1.45975 -0.24931 O 1.30462 2.67984 -0.33485 O 1.30455 -2.67986 -0.33485 C -1.54764 1.15534 0.49635 C -2.61166 0.69964 -0.30173 C -2.61166 -0.69961 -0.30173 C -1.54764 -1.15531 0.49635 H -1.36635 2.1949 0.74683 H -3.24201 1.32885 -0.92126 H -3.24201 -1.32882 -0.92126 H -1.36635 -2.19488 0.74682 C -1.15448 0.00001 1.38385 H -0.1293 0.00001 1.753 H -1.82329 0.00001 2.26041 Add virtual bond connecting atoms C13 and C6 Dist= 4.21D+00. Add virtual bond connecting atoms C16 and C8 Dist= 4.21D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0872 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.3439 calculate D2E/DX2 analytically ! ! R3 R(1,10) 1.4909 calculate D2E/DX2 analytically ! ! R4 R(3,4) 1.0872 calculate D2E/DX2 analytically ! ! R5 R(3,5) 1.4909 calculate D2E/DX2 analytically ! ! R6 R(5,6) 1.4824 calculate D2E/DX2 analytically ! ! R7 R(5,11) 1.2279 calculate D2E/DX2 analytically ! ! R8 R(6,7) 1.0839 calculate D2E/DX2 analytically ! ! R9 R(6,8) 1.4113 calculate D2E/DX2 analytically ! ! R10 R(6,13) 2.2261 calculate D2E/DX2 analytically ! ! R11 R(8,9) 1.0839 calculate D2E/DX2 analytically ! ! R12 R(8,10) 1.4824 calculate D2E/DX2 analytically ! ! R13 R(8,16) 2.2261 calculate D2E/DX2 analytically ! ! R14 R(10,12) 1.2279 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.406 calculate D2E/DX2 analytically ! ! R16 R(13,17) 1.0846 calculate D2E/DX2 analytically ! ! R17 R(13,21) 1.509 calculate D2E/DX2 analytically ! ! R18 R(14,15) 1.3993 calculate D2E/DX2 analytically ! ! R19 R(14,18) 1.0849 calculate D2E/DX2 analytically ! ! R20 R(15,16) 1.406 calculate D2E/DX2 analytically ! ! R21 R(15,19) 1.0849 calculate D2E/DX2 analytically ! ! R22 R(16,20) 1.0846 calculate D2E/DX2 analytically ! ! R23 R(16,21) 1.509 calculate D2E/DX2 analytically ! ! R24 R(21,22) 1.0896 calculate D2E/DX2 analytically ! ! R25 R(21,23) 1.1026 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 122.4987 calculate D2E/DX2 analytically ! ! A2 A(2,1,10) 115.5781 calculate D2E/DX2 analytically ! ! A3 A(3,1,10) 121.8975 calculate D2E/DX2 analytically ! ! A4 A(1,3,4) 122.4987 calculate D2E/DX2 analytically ! ! A5 A(1,3,5) 121.8976 calculate D2E/DX2 analytically ! ! A6 A(4,3,5) 115.578 calculate D2E/DX2 analytically ! ! A7 A(3,5,6) 117.2212 calculate D2E/DX2 analytically ! ! A8 A(3,5,11) 120.1903 calculate D2E/DX2 analytically ! ! A9 A(6,5,11) 122.5812 calculate D2E/DX2 analytically ! ! A10 A(5,6,7) 113.46 calculate D2E/DX2 analytically ! ! A11 A(5,6,8) 120.5768 calculate D2E/DX2 analytically ! ! A12 A(5,6,13) 98.942 calculate D2E/DX2 analytically ! ! A13 A(7,6,8) 120.0916 calculate D2E/DX2 analytically ! ! A14 A(7,6,13) 93.3871 calculate D2E/DX2 analytically ! ! A15 A(8,6,13) 101.6534 calculate D2E/DX2 analytically ! ! A16 A(6,8,9) 120.0917 calculate D2E/DX2 analytically ! ! A17 A(6,8,10) 120.5773 calculate D2E/DX2 analytically ! ! A18 A(6,8,16) 101.6534 calculate D2E/DX2 analytically ! ! A19 A(9,8,10) 113.4602 calculate D2E/DX2 analytically ! ! A20 A(9,8,16) 93.3864 calculate D2E/DX2 analytically ! ! A21 A(10,8,16) 98.9409 calculate D2E/DX2 analytically ! ! A22 A(1,10,8) 117.2211 calculate D2E/DX2 analytically ! ! A23 A(1,10,12) 120.1903 calculate D2E/DX2 analytically ! ! A24 A(8,10,12) 122.5813 calculate D2E/DX2 analytically ! ! A25 A(6,13,14) 97.8838 calculate D2E/DX2 analytically ! ! A26 A(6,13,17) 102.4745 calculate D2E/DX2 analytically ! ! A27 A(6,13,21) 91.453 calculate D2E/DX2 analytically ! ! A28 A(14,13,17) 124.6288 calculate D2E/DX2 analytically ! ! A29 A(14,13,21) 106.4321 calculate D2E/DX2 analytically ! ! A30 A(17,13,21) 123.6749 calculate D2E/DX2 analytically ! ! A31 A(13,14,15) 108.9121 calculate D2E/DX2 analytically ! ! A32 A(13,14,18) 125.1607 calculate D2E/DX2 analytically ! ! A33 A(15,14,18) 125.4473 calculate D2E/DX2 analytically ! ! A34 A(14,15,16) 108.9121 calculate D2E/DX2 analytically ! ! A35 A(14,15,19) 125.4473 calculate D2E/DX2 analytically ! ! A36 A(16,15,19) 125.1607 calculate D2E/DX2 analytically ! ! A37 A(8,16,15) 97.8835 calculate D2E/DX2 analytically ! ! A38 A(8,16,20) 102.4735 calculate D2E/DX2 analytically ! ! A39 A(8,16,21) 91.4533 calculate D2E/DX2 analytically ! ! A40 A(15,16,20) 124.6291 calculate D2E/DX2 analytically ! ! A41 A(15,16,21) 106.4323 calculate D2E/DX2 analytically ! ! A42 A(20,16,21) 123.6749 calculate D2E/DX2 analytically ! ! A43 A(13,21,16) 99.9269 calculate D2E/DX2 analytically ! ! A44 A(13,21,22) 116.3848 calculate D2E/DX2 analytically ! ! A45 A(13,21,23) 108.0315 calculate D2E/DX2 analytically ! ! A46 A(16,21,22) 116.3848 calculate D2E/DX2 analytically ! ! A47 A(16,21,23) 108.0316 calculate D2E/DX2 analytically ! ! A48 A(22,21,23) 107.5403 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) 0.0 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) 178.0719 calculate D2E/DX2 analytically ! ! D3 D(10,1,3,4) -178.0717 calculate D2E/DX2 analytically ! ! D4 D(10,1,3,5) 0.0002 calculate D2E/DX2 analytically ! ! D5 D(2,1,10,8) 175.4992 calculate D2E/DX2 analytically ! ! D6 D(2,1,10,12) -5.454 calculate D2E/DX2 analytically ! ! D7 D(3,1,10,8) -6.3038 calculate D2E/DX2 analytically ! ! D8 D(3,1,10,12) 172.743 calculate D2E/DX2 analytically ! ! D9 D(1,3,5,6) 6.3039 calculate D2E/DX2 analytically ! ! D10 D(1,3,5,11) -172.7431 calculate D2E/DX2 analytically ! ! D11 D(4,3,5,6) -175.4989 calculate D2E/DX2 analytically ! ! D12 D(4,3,5,11) 5.4541 calculate D2E/DX2 analytically ! ! D13 D(3,5,6,7) -159.2483 calculate D2E/DX2 analytically ! ! D14 D(3,5,6,8) -6.2165 calculate D2E/DX2 analytically ! ! D15 D(3,5,6,13) 103.0807 calculate D2E/DX2 analytically ! ! D16 D(11,5,6,7) 19.7741 calculate D2E/DX2 analytically ! ! D17 D(11,5,6,8) 172.8059 calculate D2E/DX2 analytically ! ! D18 D(11,5,6,13) -77.8969 calculate D2E/DX2 analytically ! ! D19 D(5,6,8,9) -151.2629 calculate D2E/DX2 analytically ! ! D20 D(5,6,8,10) 0.0007 calculate D2E/DX2 analytically ! ! D21 D(5,6,8,16) 107.8298 calculate D2E/DX2 analytically ! ! D22 D(7,6,8,9) -0.0013 calculate D2E/DX2 analytically ! ! D23 D(7,6,8,10) 151.2624 calculate D2E/DX2 analytically ! ! D24 D(7,6,8,16) -100.9086 calculate D2E/DX2 analytically ! ! D25 D(13,6,8,9) 100.9069 calculate D2E/DX2 analytically ! ! D26 D(13,6,8,10) -107.8294 calculate D2E/DX2 analytically ! ! D27 D(13,6,8,16) -0.0004 calculate D2E/DX2 analytically ! ! D28 D(5,6,13,14) 167.3296 calculate D2E/DX2 analytically ! ! D29 D(5,6,13,17) 39.146 calculate D2E/DX2 analytically ! ! D30 D(5,6,13,21) -85.8614 calculate D2E/DX2 analytically ! ! D31 D(7,6,13,14) 52.9346 calculate D2E/DX2 analytically ! ! D32 D(7,6,13,17) -75.249 calculate D2E/DX2 analytically ! ! D33 D(7,6,13,21) 159.7437 calculate D2E/DX2 analytically ! ! D34 D(8,6,13,14) -68.7362 calculate D2E/DX2 analytically ! ! D35 D(8,6,13,17) 163.0801 calculate D2E/DX2 analytically ! ! D36 D(8,6,13,21) 38.0728 calculate D2E/DX2 analytically ! ! D37 D(6,8,10,1) 6.2155 calculate D2E/DX2 analytically ! ! D38 D(6,8,10,12) -172.8067 calculate D2E/DX2 analytically ! ! D39 D(9,8,10,1) 159.2491 calculate D2E/DX2 analytically ! ! D40 D(9,8,10,12) -19.7731 calculate D2E/DX2 analytically ! ! D41 D(16,8,10,1) -103.0812 calculate D2E/DX2 analytically ! ! D42 D(16,8,10,12) 77.8966 calculate D2E/DX2 analytically ! ! D43 D(6,8,16,15) 68.7372 calculate D2E/DX2 analytically ! ! D44 D(6,8,16,20) -163.0793 calculate D2E/DX2 analytically ! ! D45 D(6,8,16,21) -38.0721 calculate D2E/DX2 analytically ! ! D46 D(9,8,16,15) -52.9336 calculate D2E/DX2 analytically ! ! D47 D(9,8,16,20) 75.25 calculate D2E/DX2 analytically ! ! D48 D(9,8,16,21) -159.7428 calculate D2E/DX2 analytically ! ! D49 D(10,8,16,15) -167.3285 calculate D2E/DX2 analytically ! ! D50 D(10,8,16,20) -39.145 calculate D2E/DX2 analytically ! ! D51 D(10,8,16,21) 85.8622 calculate D2E/DX2 analytically ! ! D52 D(6,13,14,15) 74.7518 calculate D2E/DX2 analytically ! ! D53 D(6,13,14,18) -97.6431 calculate D2E/DX2 analytically ! ! D54 D(17,13,14,15) -174.1085 calculate D2E/DX2 analytically ! ! D55 D(17,13,14,18) 13.4965 calculate D2E/DX2 analytically ! ! D56 D(21,13,14,15) -19.1202 calculate D2E/DX2 analytically ! ! D57 D(21,13,14,18) 168.4848 calculate D2E/DX2 analytically ! ! D58 D(6,13,21,16) -69.8612 calculate D2E/DX2 analytically ! ! D59 D(6,13,21,22) 56.3266 calculate D2E/DX2 analytically ! ! D60 D(6,13,21,23) 177.343 calculate D2E/DX2 analytically ! ! D61 D(14,13,21,16) 28.7966 calculate D2E/DX2 analytically ! ! D62 D(14,13,21,22) 154.9843 calculate D2E/DX2 analytically ! ! D63 D(14,13,21,23) -83.9992 calculate D2E/DX2 analytically ! ! D64 D(17,13,21,16) -175.9153 calculate D2E/DX2 analytically ! ! D65 D(17,13,21,22) -49.7275 calculate D2E/DX2 analytically ! ! D66 D(17,13,21,23) 71.2889 calculate D2E/DX2 analytically ! ! D67 D(13,14,15,16) 0.0003 calculate D2E/DX2 analytically ! ! D68 D(13,14,15,19) -172.3678 calculate D2E/DX2 analytically ! ! D69 D(18,14,15,16) 172.3681 calculate D2E/DX2 analytically ! ! D70 D(18,14,15,19) 0.0 calculate D2E/DX2 analytically ! ! D71 D(14,15,16,8) -74.7524 calculate D2E/DX2 analytically ! ! D72 D(14,15,16,20) 174.1094 calculate D2E/DX2 analytically ! ! D73 D(14,15,16,21) 19.1198 calculate D2E/DX2 analytically ! ! D74 D(19,15,16,8) 97.6428 calculate D2E/DX2 analytically ! ! D75 D(19,15,16,20) -13.4954 calculate D2E/DX2 analytically ! ! D76 D(19,15,16,21) -168.4849 calculate D2E/DX2 analytically ! ! D77 D(8,16,21,13) 69.8611 calculate D2E/DX2 analytically ! ! D78 D(8,16,21,22) -56.3266 calculate D2E/DX2 analytically ! ! D79 D(8,16,21,23) -177.3431 calculate D2E/DX2 analytically ! ! D80 D(15,16,21,13) -28.7965 calculate D2E/DX2 analytically ! ! D81 D(15,16,21,22) -154.9842 calculate D2E/DX2 analytically ! ! D82 D(15,16,21,23) 83.9993 calculate D2E/DX2 analytically ! ! D83 D(20,16,21,13) 175.9141 calculate D2E/DX2 analytically ! ! D84 D(20,16,21,22) 49.7263 calculate D2E/DX2 analytically ! ! D85 D(20,16,21,23) -71.2901 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 2.191352 -0.671964 0.533224 2 1 0 2.930720 -1.256098 1.075535 3 6 0 2.191370 0.671921 0.533223 4 1 0 2.930753 1.256037 1.075533 5 6 0 1.196494 1.459728 -0.249313 6 6 0 0.110358 0.705672 -0.919465 7 1 0 -0.352657 1.249104 -1.734961 8 6 0 0.110348 -0.705659 -0.919470 9 1 0 -0.352692 -1.249080 -1.734958 10 6 0 1.196457 -1.459745 -0.249314 11 8 0 1.304616 2.679839 -0.334850 12 8 0 1.304547 -2.679859 -0.334851 13 6 0 -1.547635 1.155336 0.496350 14 6 0 -2.611657 0.699641 -0.301725 15 6 0 -2.611657 -0.699613 -0.301727 16 6 0 -1.547640 -1.155309 0.496351 17 1 0 -1.366352 2.194903 0.746832 18 1 0 -3.242007 1.328848 -0.921256 19 1 0 -3.242007 -1.328819 -0.921259 20 1 0 -1.366345 -2.194876 0.746824 21 6 0 -1.154478 0.000012 1.383852 22 1 0 -0.129301 0.000010 1.753002 23 1 0 -1.823286 0.000014 2.260409 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.087188 0.000000 3 C 1.343885 2.134947 0.000000 4 H 2.134947 2.512135 1.087189 0.000000 5 C 2.479157 3.484031 1.490899 2.191885 0.000000 6 C 2.887685 3.972783 2.538120 3.498220 1.482361 7 H 3.912435 4.995547 3.456859 4.322003 2.156706 8 C 2.538116 3.498218 2.887680 3.972779 2.513508 9 H 3.456859 4.322004 3.912434 4.995546 3.456119 10 C 1.490899 2.191886 2.479156 3.484031 2.919473 11 O 3.574134 4.486090 2.360428 2.580836 1.227875 12 O 2.360428 2.580838 3.574134 4.486090 4.141880 13 C 4.161780 5.119193 3.770306 4.516808 2.859880 14 C 5.064320 6.036531 4.875138 5.738007 3.883619 15 C 4.875121 5.737985 5.064318 6.036532 4.378072 16 C 3.770284 4.516782 4.161769 5.119184 3.863251 17 H 4.574037 5.521076 3.875886 4.410740 2.846220 18 H 5.969937 6.983672 5.662919 6.488099 4.490983 19 H 5.662894 6.488069 5.969930 6.983668 5.284676 20 H 3.875835 4.410683 4.574001 5.521042 4.573463 21 C 3.517058 4.285057 3.517063 4.285064 3.213264 22 H 2.706444 3.376462 2.706444 3.376462 2.810298 23 H 4.421769 5.057896 4.421775 5.057906 4.189098 6 7 8 9 10 6 C 0.000000 7 H 1.083852 0.000000 8 C 1.411331 2.168063 0.000000 9 H 2.168064 2.498184 1.083851 0.000000 10 C 2.513512 3.456120 1.482359 2.156706 0.000000 11 O 2.380202 2.598820 3.637259 4.488137 4.141880 12 O 3.637263 4.488138 2.380201 2.598821 1.227875 13 C 2.226134 2.532886 2.866488 3.491109 3.863250 14 C 2.791237 2.731146 3.125026 3.309772 4.378062 15 C 3.125027 3.309794 2.791228 2.731115 3.883591 16 C 2.866486 3.491123 2.226131 2.532871 2.859854 17 H 2.678624 2.842782 3.656565 4.364379 4.573483 18 H 3.409795 3.002802 3.921416 3.956762 5.284668 19 H 3.921417 3.956784 3.409782 3.002766 4.490948 20 H 3.656549 4.364381 2.678605 2.842756 2.846166 21 C 2.720852 3.454004 2.720854 3.453993 3.213256 22 H 2.774432 3.711605 2.774438 3.711603 2.810300 23 H 3.787945 4.436886 3.787947 4.436873 4.189087 11 12 13 14 15 11 O 0.000000 12 O 5.359698 0.000000 13 C 3.339212 4.851243 0.000000 14 C 4.388562 5.172888 1.405960 0.000000 15 C 5.172909 4.388522 2.282522 1.399254 0.000000 16 C 4.851249 3.339180 2.310645 2.282520 1.405959 17 H 2.922203 5.662777 1.084576 2.210444 3.320916 18 H 4.779208 6.089725 2.215990 1.084925 2.212648 19 H 6.089745 4.779156 3.324385 2.212649 1.084925 20 H 5.662764 2.922138 3.364450 3.320916 2.210446 21 C 4.022754 4.022742 1.508975 2.335385 2.335385 22 H 3.687374 3.687377 2.219375 3.297496 3.297495 23 H 4.868326 4.868309 2.126654 2.770476 2.770478 16 17 18 19 20 16 C 0.000000 17 H 3.364450 0.000000 18 H 3.324383 2.655306 0.000000 19 H 2.215988 4.326341 2.657667 0.000000 20 H 1.084576 4.389779 4.326341 2.655309 0.000000 21 C 1.508973 2.295263 3.381879 3.381879 2.295262 22 H 2.219374 2.712974 4.313514 4.313513 2.712968 23 H 2.126653 2.705040 3.728480 3.728482 2.705047 21 22 23 21 C 0.000000 22 H 1.089614 0.000000 23 H 1.102568 1.768346 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 -2.191352 0.671965 0.533224 2 1 0 -2.930720 1.256099 1.075535 3 6 0 -2.191370 -0.671920 0.533223 4 1 0 -2.930753 -1.256036 1.075533 5 6 0 -1.196494 -1.459728 -0.249313 6 6 0 -0.110358 -0.705672 -0.919465 7 1 0 0.352657 -1.249104 -1.734961 8 6 0 -0.110348 0.705659 -0.919470 9 1 0 0.352692 1.249080 -1.734958 10 6 0 -1.196457 1.459745 -0.249314 11 8 0 -1.304617 -2.679839 -0.334850 12 8 0 -1.304546 2.679859 -0.334851 13 6 0 1.547635 -1.155336 0.496350 14 6 0 2.611657 -0.699642 -0.301725 15 6 0 2.611657 0.699612 -0.301727 16 6 0 1.547640 1.155309 0.496351 17 1 0 1.366351 -2.194903 0.746832 18 1 0 3.242007 -1.328849 -0.921256 19 1 0 3.242007 1.328818 -0.921259 20 1 0 1.366346 2.194876 0.746824 21 6 0 1.154478 -0.000012 1.383852 22 1 0 0.129301 -0.000010 1.753002 23 1 0 1.823286 -0.000014 2.260409 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239594 0.8867606 0.5915309 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -4.141054793741 1.269828990451 1.007647142617 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 -4.141054793741 1.269828990451 1.007647142617 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 -4.141054793741 1.269828990451 1.007647142617 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -4.141054793741 1.269828990451 1.007647142617 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 -5.538257559218 2.373682611974 2.032466411469 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H2 Shell 6 S 1 bf 17 - 17 -5.538257559218 2.373682611974 2.032466411469 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 -4.141089420650 -1.269745613634 1.007645252891 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 8 SP 3 bf 19 - 22 -4.141089420650 -1.269745613634 1.007645252891 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 9 SP 1 bf 23 - 26 -4.141089420650 -1.269745613634 1.007645252891 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 -4.141089420650 -1.269745613634 1.007645252891 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 -5.538321063896 -2.373564546847 2.032462632016 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 12 S 1 bf 34 - 34 -5.538321063896 -2.373564546847 2.032462632016 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 -2.261046603139 -2.758485542148 -0.471133476233 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 14 SP 3 bf 36 - 39 -2.261046603139 -2.758485542148 -0.471133476233 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 15 SP 1 bf 40 - 43 -2.261046603139 -2.758485542148 -0.471133476233 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 -2.261046603139 -2.758485542148 -0.471133476233 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 17 S 6 bf 50 - 50 -0.208546676768 -1.333526707781 -1.737537223638 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 C6 Shell 18 SP 3 bf 51 - 54 -0.208546676768 -1.333526707781 -1.737537223638 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 C6 Shell 19 SP 1 bf 55 - 58 -0.208546676768 -1.333526707781 -1.737537223638 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 20 D 1 bf 59 - 64 -0.208546676768 -1.333526707781 -1.737537223638 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 0.666424621239 -2.360464570427 -3.278601326102 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 0.666424621239 -2.360464570427 -3.278601326102 0.1612777588D+00 0.1000000000D+01 Atom C8 Shell 23 S 6 bf 67 - 67 -0.208527136961 1.333502365066 -1.737546672269 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 C8 Shell 24 SP 3 bf 68 - 71 -0.208527136961 1.333502365066 -1.737546672269 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 C8 Shell 25 SP 1 bf 72 - 75 -0.208527136961 1.333502365066 -1.737546672269 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 26 D 1 bf 76 - 81 -0.208527136961 1.333502365066 -1.737546672269 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 0.666491899017 2.360419019114 -3.278595656924 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 0.666491899017 2.360419019114 -3.278595656924 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 -2.260975354105 2.758518880189 -0.471135365959 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 C10 Shell 30 SP 3 bf 85 - 88 -2.260975354105 2.758518880189 -0.471135365959 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 C10 Shell 31 SP 1 bf 89 - 92 -2.260975354105 2.758518880189 -0.471135365959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 -2.260975354105 2.758518880189 -0.471135365959 0.8000000000D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 -2.465368127567 -5.064161134644 -0.632774980461 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 O11 Shell 34 SP 3 bf 100 - 103 -2.465368127567 -5.064161134644 -0.632774980461 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 O11 Shell 35 SP 1 bf 104 - 107 -2.465368127567 -5.064161134644 -0.632774980461 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 -2.465368127567 -5.064161134644 -0.632774980461 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 -2.465235296320 5.064200240300 -0.632776870187 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 O12 Shell 38 SP 3 bf 115 - 118 -2.465235296320 5.064200240300 -0.632776870187 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 O12 Shell 39 SP 1 bf 119 - 122 -2.465235296320 5.064200240300 -0.632776870187 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 -2.465235296320 5.064200240300 -0.632776870187 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 2.924605818752 -2.183269274444 0.937965381193 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 42 SP 3 bf 130 - 133 2.924605818752 -2.183269274444 0.937965381193 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 43 SP 1 bf 134 - 137 2.924605818752 -2.183269274444 0.937965381193 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 2.924605818752 -2.183269274444 0.937965381193 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 4.935316205585 -1.322131008742 -0.570177802309 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 46 SP 3 bf 145 - 148 4.935316205585 -1.322131008742 -0.570177802309 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 47 SP 1 bf 149 - 152 4.935316205585 -1.322131008742 -0.570177802309 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 4.935316205585 -1.322131008742 -0.570177802309 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 4.935316842632 1.322075841602 -0.570181581762 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 50 SP 3 bf 160 - 163 4.935316842632 1.322075841602 -0.570181581762 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 51 SP 1 bf 164 - 167 4.935316842632 1.322075841602 -0.570181581762 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 4.935316842632 1.322075841602 -0.570181581762 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 53 S 6 bf 174 - 174 2.924616319365 2.183216965876 0.937967270919 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 54 SP 3 bf 175 - 178 2.924616319365 2.183216965876 0.937967270919 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 55 SP 1 bf 179 - 182 2.924616319365 2.183216965876 0.937967270919 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 56 D 1 bf 183 - 188 2.924616319365 2.183216965876 0.937967270919 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 57 S 3 bf 189 - 189 2.582030122914 -4.147766118695 1.411307762411 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 58 S 1 bf 190 - 190 2.582030122914 -4.147766118695 1.411307762411 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 59 S 3 bf 191 - 191 6.126504786986 -2.511160206620 -1.740921723142 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 60 S 1 bf 192 - 192 6.126504786986 -2.511160206620 -1.740921723142 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 61 S 3 bf 193 - 193 6.126505996959 2.511102575787 -1.740927392321 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 62 S 1 bf 194 - 194 6.126505996959 2.511102575787 -1.740927392321 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 63 S 3 bf 195 - 195 2.582018893394 4.147713975200 1.411292644602 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 64 S 1 bf 196 - 196 2.582018893394 4.147713975200 1.411292644602 0.1612777588D+00 0.1000000000D+01 Atom C21 Shell 65 S 6 bf 197 - 197 2.181647287517 -0.000023140699 2.615101103582 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 66 SP 3 bf 198 - 201 2.181647287517 -0.000023140699 2.615101103582 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 67 SP 1 bf 202 - 205 2.181647287517 -0.000023140699 2.615101103582 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 68 D 1 bf 206 - 211 2.181647287517 -0.000023140699 2.615101103582 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 69 S 3 bf 212 - 212 0.244343519785 -0.000018894508 3.312693505536 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 70 S 1 bf 213 - 213 0.244343519785 -0.000018894508 3.312693505536 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 3.445511242999 -0.000027224643 4.271553773445 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 72 S 1 bf 215 - 215 3.445511242999 -0.000027224643 4.271553773445 0.1612777588D+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 767.5011339421 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= 1.68D-01 1.13D-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= 2.01D-02 3.49D-02. 66 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 2.24D-04 2.15D-03. 66 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 1.54D-06 1.55D-04. 66 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 5.32D-09 8.83D-06. 60 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 6.07D-12 3.02D-07. 11 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 5.39D-15 8.82D-09. InvSVY: IOpt=1 It= 1 EMax= 9.44D-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 -0.46922 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 -0.00001 0.00002 -0.00139 0.00147 -0.00010 2 2S -0.00012 0.00015 0.00041 -0.00023 -0.00005 3 2PX 0.00002 0.00002 0.00013 -0.00015 -0.00003 4 2PY -0.00004 -0.00009 0.00012 0.00006 -0.00002 5 2PZ -0.00001 -0.00001 -0.00007 0.00016 0.00003 6 3S 0.00304 -0.00037 -0.01136 0.00260 -0.00053 7 3PX 0.00131 -0.00074 -0.00454 0.00170 0.00004 8 3PY -0.00158 0.00078 0.00358 -0.00056 0.00092 9 3PZ -0.00085 0.00050 0.00299 -0.00124 -0.00013 10 4XX 0.00003 0.00000 0.00022 -0.00020 -0.00003 11 4YY 0.00009 -0.00003 0.00029 -0.00020 -0.00003 12 4ZZ 0.00001 0.00003 0.00026 -0.00023 -0.00004 13 4XY 0.00002 0.00000 0.00014 -0.00011 -0.00001 14 4XZ -0.00002 0.00005 -0.00005 0.00002 0.00000 15 4YZ -0.00002 0.00000 -0.00013 0.00012 -0.00001 16 2 H 1S 0.00007 -0.00005 -0.00015 0.00005 -0.00003 17 2S 0.00059 -0.00053 -0.00146 0.00078 -0.00007 18 3 C 1S 0.00001 0.00002 0.00140 0.00146 0.00010 19 2S 0.00013 0.00014 -0.00041 -0.00023 0.00005 20 2PX -0.00002 0.00002 -0.00013 -0.00015 0.00004 21 2PY -0.00003 0.00010 0.00012 -0.00007 -0.00002 22 2PZ 0.00001 -0.00001 0.00007 0.00016 -0.00003 23 3S -0.00307 -0.00009 0.01138 0.00251 0.00053 24 3PX -0.00137 -0.00062 0.00455 0.00166 -0.00004 25 3PY -0.00164 -0.00063 0.00358 0.00054 0.00092 26 3PZ 0.00090 0.00042 -0.00300 -0.00122 0.00013 27 4XX -0.00003 0.00000 -0.00022 -0.00020 0.00003 28 4YY -0.00009 -0.00002 -0.00029 -0.00020 0.00003 29 4ZZ -0.00001 0.00003 -0.00027 -0.00023 0.00004 30 4XY 0.00002 0.00000 0.00014 0.00011 -0.00001 31 4XZ 0.00003 0.00004 0.00005 0.00001 0.00000 32 4YZ -0.00002 0.00000 -0.00013 -0.00012 -0.00001 33 4 H 1S -0.00007 -0.00005 0.00015 0.00005 0.00003 34 2S -0.00064 -0.00048 0.00147 0.00077 0.00007 35 5 C 1S -0.00006 -0.00002 0.70486 0.69950 0.00002 36 2S 0.00010 0.00026 0.03536 0.03460 0.00002 37 2PX 0.00002 0.00000 0.00001 0.00001 -0.00018 38 2PY -0.00005 -0.00001 -0.00035 -0.00042 -0.00009 39 2PZ 0.00001 0.00001 0.00001 0.00005 0.00000 40 3S -0.00095 -0.00174 -0.01280 -0.00836 -0.00061 41 3PX 0.00051 0.00046 -0.00113 -0.00095 -0.00111 42 3PY 0.00549 0.00344 -0.00957 -0.00483 -0.00157 43 3PZ 0.00034 0.00009 -0.00065 -0.00024 0.00025 44 4XX -0.00005 -0.00003 -0.00646 -0.00650 -0.00016 45 4YY -0.00076 -0.00059 -0.00564 -0.00579 -0.00010 46 4ZZ -0.00011 -0.00004 -0.00643 -0.00654 -0.00003 47 4XY -0.00007 -0.00006 0.00009 0.00009 -0.00005 48 4XZ -0.00005 0.00000 -0.00001 -0.00009 -0.00001 49 4YZ -0.00004 -0.00004 0.00006 0.00008 -0.00004 50 6 C 1S 0.00004 0.00004 0.00131 0.00134 -0.00030 51 2S 0.00023 0.00020 -0.00040 -0.00028 -0.00121 52 2PX 0.00006 0.00000 0.00004 0.00016 0.00002 53 2PY -0.00004 0.00009 0.00011 -0.00010 0.00012 54 2PZ 0.00004 0.00004 -0.00008 -0.00008 -0.00012 55 3S -0.00357 -0.00081 0.01068 0.00346 0.00823 56 3PX 0.00098 0.00054 -0.00379 -0.00172 0.00070 57 3PY -0.00154 -0.00036 0.00284 0.00018 0.00130 58 3PZ -0.00135 -0.00061 0.00316 0.00125 0.00292 59 4XX 0.00001 0.00002 -0.00022 -0.00020 -0.00010 60 4YY -0.00003 0.00003 -0.00020 -0.00020 -0.00030 61 4ZZ 0.00005 0.00008 -0.00022 -0.00023 -0.00018 62 4XY -0.00002 0.00002 -0.00016 -0.00014 0.00003 63 4XZ 0.00002 0.00003 0.00001 0.00000 0.00015 64 4YZ 0.00000 0.00002 0.00009 0.00006 0.00004 65 7 H 1S -0.00004 -0.00003 0.00008 0.00003 -0.00023 66 2S -0.00051 -0.00030 0.00107 0.00047 0.00024 67 8 C 1S -0.00003 0.00004 -0.00130 0.00135 0.00030 68 2S -0.00021 0.00022 0.00040 -0.00028 0.00120 69 2PX -0.00006 0.00001 -0.00004 0.00016 -0.00002 70 2PY -0.00005 -0.00008 0.00011 0.00010 0.00012 71 2PZ -0.00004 0.00005 0.00008 -0.00008 0.00012 72 3S 0.00348 -0.00113 -0.01065 0.00354 -0.00820 73 3PX -0.00092 0.00063 0.00378 -0.00175 -0.00069 74 3PY -0.00150 0.00050 0.00284 -0.00020 0.00131 75 3PZ 0.00129 -0.00073 -0.00315 0.00127 -0.00291 76 4XX -0.00001 0.00002 0.00022 -0.00020 0.00010 77 4YY 0.00003 0.00003 0.00020 -0.00020 0.00029 78 4ZZ -0.00004 0.00009 0.00022 -0.00023 0.00017 79 4XY -0.00002 -0.00002 -0.00016 0.00014 0.00003 80 4XZ -0.00002 0.00003 -0.00001 0.00000 -0.00014 81 4YZ -0.00001 -0.00002 0.00009 -0.00006 0.00004 82 9 H 1S 0.00004 -0.00003 -0.00008 0.00003 0.00023 83 2S 0.00048 -0.00034 -0.00107 0.00047 -0.00024 84 10 C 1S 0.00006 -0.00002 -0.69961 0.70475 -0.00002 85 2S -0.00008 0.00027 -0.03510 0.03486 -0.00002 86 2PX -0.00002 0.00001 -0.00001 0.00001 0.00018 87 2PY -0.00005 0.00002 -0.00035 0.00042 -0.00009 88 2PZ -0.00001 0.00001 -0.00001 0.00005 0.00000 89 3S 0.00078 -0.00183 0.01274 -0.00846 0.00061 90 3PX -0.00046 0.00051 0.00112 -0.00096 0.00110 91 3PY 0.00515 -0.00393 -0.00953 0.00490 -0.00156 92 3PZ -0.00033 0.00012 0.00065 -0.00024 -0.00025 93 4XX 0.00005 -0.00004 0.00641 -0.00655 0.00016 94 4YY 0.00070 -0.00066 0.00559 -0.00583 0.00010 95 4ZZ 0.00011 -0.00005 0.00638 -0.00659 0.00003 96 4XY -0.00006 0.00006 0.00009 -0.00009 -0.00005 97 4XZ 0.00005 -0.00001 0.00001 -0.00009 0.00001 98 4YZ -0.00004 0.00004 0.00006 -0.00008 -0.00004 99 11 O 1S 0.73371 0.66861 0.00006 -0.00003 0.00006 100 2S 0.01857 0.01710 0.00092 0.00051 0.00026 101 2PX 0.00007 0.00007 -0.00001 -0.00002 0.00001 102 2PY 0.00082 0.00074 -0.00004 -0.00004 0.00004 103 2PZ 0.00006 0.00005 -0.00001 -0.00001 0.00000 104 3S 0.01298 0.01058 -0.00659 -0.00362 -0.00160 105 3PX 0.00017 0.00011 -0.00013 0.00000 0.00005 106 3PY 0.00186 0.00140 -0.00228 -0.00168 -0.00039 107 3PZ 0.00013 0.00012 -0.00014 -0.00011 -0.00009 108 4XX -0.00627 -0.00559 0.00063 0.00037 0.00015 109 4YY -0.00581 -0.00522 0.00007 -0.00013 0.00017 110 4ZZ -0.00627 -0.00560 0.00066 0.00040 0.00019 111 4XY 0.00005 0.00004 -0.00004 -0.00002 0.00000 112 4XZ 0.00001 0.00000 0.00004 0.00005 0.00000 113 4YZ 0.00004 0.00004 -0.00005 -0.00005 -0.00002 114 12 O 1S -0.66857 0.73375 -0.00006 -0.00003 -0.00006 115 2S -0.01691 0.01875 -0.00092 0.00052 -0.00026 116 2PX -0.00007 0.00008 0.00001 -0.00002 -0.00001 117 2PY 0.00074 -0.00081 -0.00004 0.00004 0.00004 118 2PZ -0.00005 0.00006 0.00001 -0.00001 0.00000 119 3S -0.01194 0.01173 0.00656 -0.00367 0.00159 120 3PX -0.00016 0.00012 0.00013 0.00000 -0.00005 121 3PY 0.00172 -0.00156 -0.00227 0.00169 -0.00038 122 3PZ -0.00012 0.00013 0.00014 -0.00011 0.00009 123 4XX 0.00573 -0.00615 -0.00063 0.00037 -0.00015 124 4YY 0.00530 -0.00574 -0.00007 -0.00012 -0.00016 125 4ZZ 0.00573 -0.00615 -0.00066 0.00040 -0.00019 126 4XY 0.00005 -0.00004 -0.00004 0.00002 0.00000 127 4XZ -0.00001 0.00000 -0.00004 0.00005 0.00000 128 4YZ 0.00004 -0.00004 -0.00005 0.00005 -0.00002 129 13 C 1S -0.00002 -0.00003 -0.00005 0.00001 0.70612 130 2S -0.00011 -0.00010 0.00008 0.00010 0.03655 131 2PX 0.00002 0.00002 0.00014 0.00011 -0.00021 132 2PY 0.00001 -0.00002 0.00001 0.00007 0.00053 133 2PZ -0.00002 0.00000 0.00005 -0.00001 -0.00013 134 3S 0.00062 0.00059 -0.00123 -0.00124 -0.01936 135 3PX -0.00028 -0.00013 -0.00100 -0.00085 -0.00065 136 3PY 0.00011 0.00022 -0.00102 -0.00121 -0.00596 137 3PZ 0.00008 0.00001 0.00044 0.00043 0.00203 138 4XX -0.00001 -0.00003 -0.00013 -0.00004 -0.00610 139 4YY -0.00002 -0.00004 -0.00005 0.00000 -0.00612 140 4ZZ -0.00004 -0.00005 -0.00010 -0.00003 -0.00610 141 4XY -0.00001 -0.00001 0.00000 -0.00001 0.00010 142 4XZ 0.00002 0.00001 0.00002 0.00005 -0.00008 143 4YZ 0.00000 0.00001 0.00003 0.00001 0.00002 144 14 C 1S 0.00001 0.00001 -0.00006 -0.00005 0.01055 145 2S 0.00002 0.00004 -0.00020 -0.00017 0.00023 146 2PX -0.00001 0.00000 -0.00001 -0.00003 0.00003 147 2PY 0.00000 0.00001 0.00001 -0.00008 0.00009 148 2PZ 0.00000 -0.00001 0.00001 0.00004 -0.00014 149 3S -0.00018 -0.00016 0.00237 0.00131 0.00928 150 3PX 0.00008 0.00013 -0.00103 -0.00065 -0.00374 151 3PY -0.00008 -0.00006 0.00038 0.00012 0.00127 152 3PZ 0.00004 -0.00004 0.00080 0.00044 0.00289 153 4XX 0.00001 0.00000 -0.00001 0.00001 -0.00024 154 4YY 0.00001 0.00001 -0.00004 -0.00004 -0.00027 155 4ZZ 0.00002 0.00002 -0.00003 -0.00004 -0.00027 156 4XY 0.00000 0.00000 0.00001 0.00000 -0.00003 157 4XZ -0.00001 0.00000 -0.00005 -0.00005 0.00013 158 4YZ 0.00000 -0.00001 -0.00001 -0.00001 0.00008 159 15 C 1S 0.00000 0.00001 0.00006 -0.00005 -0.01043 160 2S -0.00001 0.00004 0.00019 -0.00018 -0.00023 161 2PX 0.00001 0.00000 0.00001 -0.00003 -0.00003 162 2PY -0.00001 -0.00001 0.00001 0.00008 0.00009 163 2PZ 0.00000 -0.00001 -0.00001 0.00004 0.00014 164 3S 0.00016 -0.00018 -0.00236 0.00133 -0.00924 165 3PX -0.00006 0.00014 0.00102 -0.00066 0.00372 166 3PY -0.00008 0.00007 0.00038 -0.00012 0.00127 167 3PZ -0.00004 -0.00004 -0.00080 0.00044 -0.00288 168 4XX -0.00001 0.00000 0.00001 0.00001 0.00024 169 4YY -0.00001 0.00001 0.00004 -0.00004 0.00027 170 4ZZ -0.00002 0.00002 0.00003 -0.00004 0.00027 171 4XY 0.00000 0.00000 0.00001 0.00000 -0.00002 172 4XZ 0.00001 0.00000 0.00005 -0.00005 -0.00013 173 4YZ 0.00000 0.00001 -0.00001 0.00001 0.00008 174 16 C 1S 0.00002 -0.00003 0.00005 0.00001 -0.69850 175 2S 0.00010 -0.00011 -0.00008 0.00010 -0.03617 176 2PX -0.00001 0.00003 -0.00014 0.00011 0.00021 177 2PY 0.00002 0.00001 0.00001 -0.00008 0.00053 178 2PZ 0.00002 0.00000 -0.00005 -0.00001 0.00012 179 3S -0.00057 0.00064 0.00122 -0.00124 0.01921 180 3PX 0.00026 -0.00016 0.00100 -0.00085 0.00064 181 3PY 0.00008 -0.00023 -0.00101 0.00122 -0.00593 182 3PZ -0.00008 0.00002 -0.00044 0.00043 -0.00202 183 4XX 0.00001 -0.00003 0.00013 -0.00004 0.00603 184 4YY 0.00002 -0.00004 0.00005 0.00000 0.00606 185 4ZZ 0.00003 -0.00005 0.00010 -0.00003 0.00603 186 4XY -0.00001 0.00001 0.00000 0.00001 0.00010 187 4XZ -0.00002 0.00001 -0.00002 0.00005 0.00008 188 4YZ 0.00000 -0.00001 0.00003 -0.00001 0.00002 189 17 H 1S -0.00002 0.00001 -0.00010 -0.00014 -0.00025 190 2S -0.00005 -0.00001 -0.00046 -0.00046 0.00002 191 18 H 1S 0.00000 -0.00001 0.00001 0.00000 0.00003 192 2S 0.00001 -0.00003 0.00028 0.00018 0.00088 193 19 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00004 194 2S -0.00001 -0.00003 -0.00027 0.00018 -0.00088 195 20 H 1S 0.00002 0.00001 0.00010 -0.00014 0.00025 196 2S 0.00005 -0.00002 0.00045 -0.00046 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00007 198 2S 0.00000 0.00003 0.00000 0.00001 0.00000 199 2PX 0.00000 -0.00001 0.00000 0.00011 0.00000 200 2PY 0.00001 0.00000 0.00004 0.00000 -0.00025 201 2PZ 0.00000 0.00005 0.00000 0.00005 0.00000 202 3S -0.00003 -0.00064 0.00000 0.00047 0.00004 203 3PX 0.00000 -0.00001 0.00000 0.00034 0.00001 204 3PY 0.00030 -0.00001 -0.00018 0.00000 -0.00317 205 3PZ 0.00000 0.00001 0.00000 -0.00083 -0.00001 206 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 207 4YY 0.00000 -0.00001 0.00000 -0.00004 0.00000 208 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 209 4XY -0.00002 0.00000 -0.00006 0.00000 0.00008 210 4XZ 0.00000 0.00000 0.00000 -0.00008 0.00000 211 4YZ -0.00002 0.00000 0.00004 0.00000 -0.00009 212 22 H 1S 0.00000 -0.00001 0.00000 -0.00012 0.00000 213 2S 0.00001 0.00014 0.00000 0.00062 0.00000 214 23 H 1S 0.00000 0.00003 0.00000 0.00005 0.00000 215 2S 0.00000 0.00008 0.00000 0.00023 0.00000 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 0.00016 0.70185 0.70221 -0.00013 0.00031 2 2S 0.00007 0.03487 0.03584 0.00014 -0.00015 3 2PX 0.00005 0.00019 0.00019 0.00004 -0.00011 4 2PY 0.00000 0.00011 -0.00043 -0.00002 -0.00002 5 2PZ 0.00000 -0.00002 -0.00013 0.00001 0.00005 6 3S -0.00053 -0.00760 -0.01887 -0.00053 0.00058 7 3PX -0.00008 -0.00096 -0.00354 -0.00023 0.00000 8 3PY -0.00037 -0.00069 0.00330 -0.00005 0.00068 9 3PZ 0.00001 0.00053 0.00271 0.00001 0.00001 10 4XX 0.00003 -0.00679 -0.00654 0.00005 -0.00004 11 4YY 0.00001 -0.00665 -0.00619 0.00004 0.00003 12 4ZZ 0.00005 -0.00679 -0.00658 0.00009 -0.00009 13 4XY -0.00001 -0.00004 0.00000 0.00000 0.00002 14 4XZ 0.00000 -0.00004 -0.00006 0.00001 -0.00003 15 4YZ 0.00003 0.00003 -0.00001 0.00001 -0.00004 16 2 H 1S 0.00004 -0.00029 -0.00032 0.00002 -0.00008 17 2S 0.00006 0.00125 0.00029 -0.00002 -0.00001 18 3 C 1S 0.00016 0.70185 -0.70221 -0.00013 0.00031 19 2S 0.00007 0.03487 -0.03584 0.00014 -0.00014 20 2PX 0.00005 0.00019 -0.00019 0.00004 -0.00011 21 2PY 0.00000 -0.00011 -0.00043 0.00002 0.00002 22 2PZ 0.00000 -0.00002 0.00013 0.00001 0.00005 23 3S -0.00053 -0.00760 0.01887 -0.00053 0.00058 24 3PX -0.00008 -0.00096 0.00355 -0.00023 0.00000 25 3PY 0.00036 0.00069 0.00330 0.00005 -0.00068 26 3PZ 0.00001 0.00053 -0.00271 0.00001 0.00001 27 4XX 0.00003 -0.00679 0.00654 0.00005 -0.00004 28 4YY 0.00001 -0.00665 0.00619 0.00004 0.00003 29 4ZZ 0.00005 -0.00679 0.00658 0.00009 -0.00009 30 4XY 0.00001 0.00004 0.00000 0.00000 -0.00002 31 4XZ 0.00000 -0.00004 0.00006 0.00001 -0.00003 32 4YZ -0.00003 -0.00003 -0.00001 -0.00001 0.00004 33 4 H 1S 0.00004 -0.00029 0.00032 0.00002 -0.00008 34 2S 0.00006 0.00125 -0.00029 -0.00002 -0.00001 35 5 C 1S 0.00001 -0.00169 0.00169 0.00003 -0.00160 36 2S 0.00001 -0.00034 0.00043 0.00008 -0.00047 37 2PX -0.00004 0.00016 -0.00009 -0.00004 -0.00010 38 2PY -0.00004 -0.00008 0.00009 -0.00002 -0.00005 39 2PZ 0.00000 -0.00006 0.00008 -0.00002 0.00015 40 3S 0.00024 0.00262 -0.00668 -0.00063 0.00313 41 3PX -0.00078 -0.00109 0.00172 -0.00050 0.00231 42 3PY -0.00095 0.00138 -0.00289 -0.00022 0.00277 43 3PZ 0.00027 0.00069 -0.00147 0.00028 -0.00119 44 4XX -0.00003 -0.00024 0.00027 -0.00003 -0.00021 45 4YY 0.00003 -0.00013 0.00018 -0.00006 -0.00021 46 4ZZ 0.00000 -0.00017 0.00025 0.00004 -0.00022 47 4XY 0.00000 0.00006 -0.00009 -0.00002 -0.00007 48 4XZ 0.00000 0.00011 -0.00012 -0.00002 0.00011 49 4YZ -0.00004 -0.00004 0.00005 -0.00001 0.00008 50 6 C 1S -0.00022 -0.00037 -0.00002 -0.00396 0.70225 51 2S -0.00072 -0.00016 -0.00011 -0.00044 0.03549 52 2PX 0.00000 0.00004 -0.00005 0.00003 0.00007 53 2PY -0.00005 -0.00001 -0.00003 -0.00011 0.00000 54 2PZ -0.00002 -0.00006 0.00002 -0.00018 0.00037 55 3S 0.00310 0.00018 0.00288 0.00084 -0.01128 56 3PX 0.00054 0.00006 -0.00073 -0.00047 0.00077 57 3PY -0.00047 -0.00016 0.00155 0.00020 0.00111 58 3PZ 0.00085 0.00010 0.00061 0.00084 -0.00171 59 4XX -0.00007 -0.00002 -0.00003 -0.00012 -0.00641 60 4YY -0.00021 0.00001 -0.00002 -0.00005 -0.00643 61 4ZZ -0.00017 -0.00004 -0.00005 -0.00004 -0.00632 62 4XY -0.00005 0.00002 -0.00002 0.00008 0.00001 63 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 64 4YZ -0.00004 -0.00001 -0.00001 -0.00001 0.00010 65 7 H 1S -0.00012 -0.00001 0.00004 0.00005 -0.00016 66 2S -0.00039 0.00005 0.00021 0.00050 0.00152 67 8 C 1S -0.00023 -0.00037 0.00002 -0.00396 0.70193 68 2S -0.00073 -0.00016 0.00011 -0.00044 0.03547 69 2PX 0.00000 0.00004 0.00005 0.00003 0.00007 70 2PY 0.00005 0.00001 -0.00003 0.00011 0.00000 71 2PZ -0.00002 -0.00006 -0.00002 -0.00018 0.00037 72 3S 0.00319 0.00018 -0.00288 0.00084 -0.01127 73 3PX 0.00055 0.00006 0.00073 -0.00047 0.00077 74 3PY 0.00046 0.00016 0.00155 -0.00020 -0.00112 75 3PZ 0.00088 0.00010 -0.00061 0.00084 -0.00171 76 4XX -0.00007 -0.00002 0.00003 -0.00012 -0.00640 77 4YY -0.00021 0.00001 0.00002 -0.00005 -0.00643 78 4ZZ -0.00017 -0.00004 0.00005 -0.00004 -0.00632 79 4XY 0.00005 -0.00002 -0.00002 -0.00008 -0.00001 80 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 81 4YZ 0.00004 0.00001 -0.00001 0.00001 -0.00010 82 9 H 1S -0.00012 -0.00001 -0.00004 0.00005 -0.00016 83 2S -0.00039 0.00005 -0.00021 0.00050 0.00152 84 10 C 1S 0.00001 -0.00169 -0.00169 0.00003 -0.00160 85 2S 0.00001 -0.00034 -0.00043 0.00008 -0.00047 86 2PX -0.00004 0.00016 0.00009 -0.00004 -0.00010 87 2PY 0.00005 0.00008 0.00009 0.00002 0.00005 88 2PZ 0.00000 -0.00006 -0.00008 -0.00002 0.00015 89 3S 0.00023 0.00262 0.00668 -0.00063 0.00312 90 3PX -0.00079 -0.00109 -0.00172 -0.00050 0.00231 91 3PY 0.00096 -0.00138 -0.00289 0.00022 -0.00276 92 3PZ 0.00028 0.00069 0.00147 0.00028 -0.00119 93 4XX -0.00004 -0.00024 -0.00027 -0.00003 -0.00021 94 4YY 0.00003 -0.00013 -0.00018 -0.00006 -0.00021 95 4ZZ 0.00000 -0.00017 -0.00025 0.00004 -0.00022 96 4XY 0.00000 -0.00006 -0.00009 0.00002 0.00007 97 4XZ 0.00000 0.00011 0.00012 -0.00002 0.00011 98 4YZ 0.00004 0.00004 0.00005 0.00001 -0.00008 99 11 O 1S 0.00006 -0.00003 -0.00001 0.00000 -0.00010 100 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 101 2PX 0.00001 -0.00001 0.00002 0.00000 -0.00001 102 2PY 0.00003 0.00000 -0.00002 0.00001 -0.00003 103 2PZ -0.00001 -0.00001 -0.00003 0.00002 -0.00001 104 3S -0.00158 0.00077 -0.00004 0.00003 0.00252 105 3PX 0.00000 0.00015 -0.00030 0.00009 -0.00015 106 3PY -0.00046 0.00019 0.00021 0.00004 0.00071 107 3PZ -0.00006 0.00002 0.00026 -0.00009 0.00023 108 4XX 0.00019 -0.00008 -0.00006 0.00000 -0.00029 109 4YY 0.00014 -0.00004 -0.00002 0.00002 -0.00016 110 4ZZ 0.00021 -0.00010 -0.00002 0.00000 -0.00033 111 4XY 0.00000 0.00001 -0.00004 0.00002 0.00000 112 4XZ 0.00000 -0.00004 0.00003 0.00000 -0.00005 113 4YZ -0.00002 0.00003 0.00003 -0.00001 0.00004 114 12 O 1S 0.00007 -0.00003 0.00001 0.00000 -0.00010 115 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 116 2PX 0.00001 -0.00001 -0.00002 0.00000 -0.00001 117 2PY -0.00003 0.00000 -0.00002 -0.00001 0.00003 118 2PZ -0.00001 -0.00001 0.00003 0.00002 -0.00001 119 3S -0.00160 0.00077 0.00004 0.00003 0.00252 120 3PX 0.00000 0.00015 0.00030 0.00009 -0.00015 121 3PY 0.00046 -0.00019 0.00021 -0.00004 -0.00071 122 3PZ -0.00006 0.00002 -0.00026 -0.00009 0.00023 123 4XX 0.00019 -0.00008 0.00006 0.00000 -0.00029 124 4YY 0.00014 -0.00004 0.00002 0.00002 -0.00016 125 4ZZ 0.00021 -0.00010 0.00002 0.00000 -0.00033 126 4XY 0.00000 -0.00001 -0.00004 -0.00002 0.00000 127 4XZ 0.00000 -0.00004 -0.00003 0.00000 -0.00005 128 4YZ 0.00002 -0.00003 0.00003 0.00001 -0.00004 129 13 C 1S 0.69825 -0.00013 0.00008 -0.00890 -0.00007 130 2S 0.03512 0.00008 -0.00003 -0.00048 -0.00060 131 2PX -0.00003 0.00000 0.00001 0.00001 0.00002 132 2PY 0.00035 0.00002 0.00002 0.00002 -0.00015 133 2PZ -0.00019 -0.00001 0.00001 -0.00005 0.00004 134 3S -0.01423 -0.00056 0.00026 0.00441 0.00247 135 3PX -0.00045 -0.00006 -0.00013 -0.00085 -0.00031 136 3PY -0.00269 -0.00037 -0.00015 0.00131 0.00063 137 3PZ 0.00071 0.00005 0.00021 0.00170 -0.00099 138 4XX -0.00629 0.00002 -0.00003 -0.00003 -0.00009 139 4YY -0.00594 0.00001 -0.00002 -0.00016 -0.00029 140 4ZZ -0.00628 0.00004 -0.00002 -0.00011 -0.00009 141 4XY 0.00005 0.00000 0.00001 0.00005 -0.00002 142 4XZ -0.00012 -0.00001 -0.00001 0.00005 0.00014 143 4YZ -0.00013 -0.00003 0.00002 -0.00014 -0.00002 144 14 C 1S 0.01078 0.00006 -0.00003 -0.00194 -0.00260 145 2S 0.00016 0.00003 -0.00002 -0.00038 -0.00016 146 2PX 0.00003 -0.00001 0.00001 0.00003 0.00012 147 2PY 0.00001 0.00000 0.00000 -0.00002 -0.00003 148 2PZ -0.00009 0.00002 0.00001 -0.00004 -0.00002 149 3S 0.00408 0.00010 0.00023 0.00051 -0.00067 150 3PX -0.00168 -0.00005 -0.00012 -0.00041 0.00033 151 3PY -0.00022 0.00000 0.00000 0.00008 0.00013 152 3PZ 0.00120 -0.00002 -0.00002 0.00039 -0.00017 153 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 154 4YY -0.00014 0.00001 -0.00001 0.00002 -0.00005 155 4ZZ -0.00025 0.00000 -0.00001 0.00005 -0.00003 156 4XY -0.00014 -0.00001 0.00000 0.00001 0.00004 157 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 158 4YZ 0.00008 0.00000 0.00000 0.00006 -0.00006 159 15 C 1S 0.01089 0.00006 0.00003 -0.00194 -0.00260 160 2S 0.00017 0.00003 0.00002 -0.00038 -0.00016 161 2PX 0.00003 -0.00001 -0.00001 0.00003 0.00012 162 2PY -0.00001 0.00000 0.00000 0.00002 0.00003 163 2PZ -0.00009 0.00002 -0.00001 -0.00004 -0.00002 164 3S 0.00418 0.00010 -0.00023 0.00051 -0.00066 165 3PX -0.00172 -0.00005 0.00012 -0.00041 0.00033 166 3PY 0.00020 0.00000 0.00000 -0.00008 -0.00013 167 3PZ 0.00124 -0.00002 0.00002 0.00039 -0.00017 168 4XX -0.00019 0.00002 0.00000 -0.00001 -0.00007 169 4YY -0.00014 0.00001 0.00001 0.00002 -0.00005 170 4ZZ -0.00025 0.00000 0.00001 0.00005 -0.00003 171 4XY 0.00014 0.00001 0.00000 -0.00001 -0.00004 172 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 173 4YZ -0.00008 0.00000 0.00000 -0.00006 0.00006 174 16 C 1S 0.70588 -0.00013 -0.00008 -0.00890 -0.00007 175 2S 0.03551 0.00008 0.00003 -0.00048 -0.00060 176 2PX -0.00003 0.00000 -0.00001 0.00001 0.00002 177 2PY -0.00036 -0.00002 0.00002 -0.00002 0.00015 178 2PZ -0.00019 -0.00001 -0.00001 -0.00005 0.00004 179 3S -0.01444 -0.00056 -0.00026 0.00441 0.00247 180 3PX -0.00046 -0.00006 0.00013 -0.00085 -0.00031 181 3PY 0.00276 0.00037 -0.00015 -0.00131 -0.00063 182 3PZ 0.00073 0.00005 -0.00021 0.00170 -0.00099 183 4XX -0.00635 0.00002 0.00003 -0.00003 -0.00009 184 4YY -0.00601 0.00001 0.00002 -0.00016 -0.00029 185 4ZZ -0.00635 0.00004 0.00002 -0.00011 -0.00009 186 4XY -0.00006 0.00000 0.00001 -0.00005 0.00002 187 4XZ -0.00012 -0.00001 0.00001 0.00005 0.00014 188 4YZ 0.00013 0.00003 0.00002 0.00014 0.00002 189 17 H 1S -0.00027 -0.00002 -0.00004 -0.00017 -0.00005 190 2S 0.00122 -0.00006 -0.00017 -0.00025 0.00006 191 18 H 1S -0.00010 0.00000 -0.00001 -0.00002 0.00008 192 2S 0.00034 -0.00001 0.00000 0.00032 -0.00014 193 19 H 1S -0.00010 0.00000 0.00001 -0.00002 0.00008 194 2S 0.00035 -0.00001 0.00000 0.00032 -0.00014 195 20 H 1S -0.00027 -0.00002 0.00004 -0.00017 -0.00005 196 2S 0.00122 -0.00006 0.00017 -0.00025 0.00006 197 21 C 1S 0.01238 0.00028 0.00000 0.99297 0.00541 198 2S 0.00040 0.00016 0.00000 0.05060 -0.00015 199 2PX -0.00009 -0.00007 0.00000 0.00019 0.00014 200 2PY 0.00000 0.00000 -0.00005 0.00000 0.00000 201 2PZ -0.00005 0.00009 0.00000 -0.00027 0.00032 202 3S 0.00736 -0.00120 0.00000 -0.02055 0.00030 203 3PX 0.00134 0.00110 0.00000 -0.00089 -0.00120 204 3PY 0.00002 0.00000 0.00038 0.00000 0.00000 205 3PZ -0.00229 -0.00095 0.00000 0.00195 -0.00087 206 4XX -0.00020 0.00002 0.00000 -0.00875 -0.00020 207 4YY -0.00055 0.00012 0.00000 -0.00899 -0.00019 208 4ZZ -0.00027 0.00012 0.00000 -0.00889 -0.00020 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00015 -0.00003 0.00000 0.00000 0.00005 211 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 212 22 H 1S -0.00020 -0.00024 0.00000 -0.00004 -0.00012 213 2S 0.00029 0.00229 0.00000 0.00297 -0.00058 214 23 H 1S -0.00035 0.00007 0.00000 0.00011 0.00007 215 2S 0.00019 0.00017 0.00000 0.00270 0.00094 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 0.00005 -0.00004 0.00001 -0.01932 -0.01206 2 2S 0.00020 0.00005 -0.00008 0.03820 0.02277 3 2PX -0.00005 0.00000 0.00001 0.01373 0.01001 4 2PY -0.00005 -0.00005 0.00001 0.00872 0.01945 5 2PZ 0.00005 0.00001 0.00000 -0.01172 -0.00861 6 3S -0.00591 -0.00018 0.00156 0.01512 -0.03092 7 3PX -0.00182 -0.00021 0.00044 -0.00875 -0.00878 8 3PY 0.00389 0.00022 -0.00127 0.01374 0.02907 9 3PZ 0.00106 0.00015 -0.00031 0.00592 0.00429 10 4XX 0.00002 0.00001 0.00000 0.00075 0.00093 11 4YY 0.00000 0.00002 0.00001 0.00246 0.00160 12 4ZZ 0.00004 0.00001 -0.00001 0.00004 0.00032 13 4XY -0.00001 0.00000 0.00000 0.00243 0.00305 14 4XZ 0.00002 0.00001 -0.00001 -0.00231 -0.00232 15 4YZ -0.00003 0.00001 0.00001 -0.00213 -0.00254 16 2 H 1S -0.00015 -0.00003 0.00005 0.00624 0.00524 17 2S -0.00083 -0.00009 0.00027 -0.00678 -0.00367 18 3 C 1S -0.00005 -0.00004 -0.00001 -0.01932 0.01206 19 2S -0.00020 0.00005 0.00008 0.03820 -0.02277 20 2PX 0.00005 0.00000 -0.00001 0.01373 -0.01001 21 2PY -0.00005 0.00005 0.00001 -0.00873 0.01945 22 2PZ -0.00005 0.00001 0.00000 -0.01172 0.00861 23 3S 0.00591 -0.00018 -0.00156 0.01512 0.03092 24 3PX 0.00182 -0.00021 -0.00044 -0.00875 0.00878 25 3PY 0.00389 -0.00022 -0.00127 -0.01374 0.02907 26 3PZ -0.00106 0.00015 0.00031 0.00592 -0.00429 27 4XX -0.00002 0.00001 0.00000 0.00075 -0.00093 28 4YY 0.00000 0.00002 -0.00001 0.00246 -0.00160 29 4ZZ -0.00004 0.00001 0.00001 0.00004 -0.00032 30 4XY -0.00001 0.00000 0.00000 -0.00243 0.00305 31 4XZ -0.00002 0.00001 0.00001 -0.00231 0.00232 32 4YZ -0.00003 -0.00001 0.00001 0.00213 -0.00254 33 4 H 1S 0.00015 -0.00003 -0.00005 0.00624 -0.00524 34 2S 0.00083 -0.00009 -0.00027 -0.00678 0.00367 35 5 C 1S 0.00163 -0.00002 -0.00002 -0.08685 0.08497 36 2S 0.00067 -0.00017 -0.00025 0.16771 -0.16222 37 2PX -0.00001 0.00004 0.00002 -0.01154 0.01158 38 2PY 0.00003 -0.00001 0.00001 -0.11744 0.12522 39 2PZ -0.00009 0.00000 -0.00002 -0.00756 0.00792 40 3S -0.00897 0.00123 0.00331 0.05848 -0.05171 41 3PX -0.00380 0.00038 0.00143 0.00503 -0.00442 42 3PY -0.00607 0.00091 0.00133 0.04310 -0.05924 43 3PZ 0.00155 -0.00040 -0.00089 0.00212 -0.00405 44 4XX 0.00017 -0.00002 -0.00001 -0.01293 0.01339 45 4YY 0.00015 -0.00001 0.00003 0.01478 -0.01344 46 4ZZ 0.00025 -0.00002 -0.00005 -0.01346 0.01381 47 4XY 0.00004 0.00003 0.00005 0.00286 -0.00285 48 4XZ -0.00010 -0.00005 -0.00006 -0.00051 0.00024 49 4YZ -0.00011 -0.00002 -0.00002 0.00230 -0.00222 50 6 C 1S -0.70234 0.00253 0.00024 -0.01775 0.01153 51 2S -0.03685 0.00006 0.00010 0.03550 -0.02225 52 2PX -0.00004 -0.00021 -0.00021 -0.01536 0.01148 53 2PY -0.00025 -0.00004 -0.00001 -0.00872 0.01797 54 2PZ -0.00044 -0.00003 0.00004 0.00835 -0.00632 55 3S 0.02878 -0.00060 -0.00154 0.00706 0.02948 56 3PX -0.00366 0.00113 0.00302 0.00694 -0.00414 57 3PY 0.00485 0.00036 0.00113 -0.01020 0.02638 58 3PZ 0.00556 -0.00027 -0.00172 -0.00724 0.00841 59 4XX 0.00618 -0.00012 -0.00007 0.00121 -0.00160 60 4YY 0.00575 -0.00009 -0.00002 0.00242 -0.00133 61 4ZZ 0.00597 -0.00015 -0.00002 0.00000 0.00002 62 4XY 0.00001 -0.00007 0.00001 0.00317 -0.00351 63 4XZ 0.00003 0.00006 0.00005 -0.00197 0.00195 64 4YZ 0.00004 0.00005 0.00007 -0.00133 0.00182 65 7 H 1S 0.00003 -0.00015 -0.00031 0.00614 -0.00517 66 2S -0.00039 0.00001 -0.00031 -0.00390 0.00278 67 8 C 1S 0.70265 0.00253 -0.00024 -0.01775 -0.01153 68 2S 0.03686 0.00006 -0.00010 0.03550 0.02225 69 2PX 0.00004 -0.00021 0.00021 -0.01536 -0.01148 70 2PY -0.00025 0.00004 -0.00001 0.00872 0.01797 71 2PZ 0.00044 -0.00003 -0.00004 0.00835 0.00632 72 3S -0.02878 -0.00060 0.00154 0.00706 -0.02948 73 3PX 0.00366 0.00113 -0.00302 0.00694 0.00414 74 3PY 0.00484 -0.00036 0.00113 0.01020 0.02638 75 3PZ -0.00556 -0.00027 0.00172 -0.00724 -0.00841 76 4XX -0.00619 -0.00012 0.00007 0.00121 0.00160 77 4YY -0.00575 -0.00009 0.00002 0.00242 0.00133 78 4ZZ -0.00597 -0.00015 0.00002 0.00000 -0.00002 79 4XY 0.00001 0.00007 0.00001 -0.00317 -0.00351 80 4XZ -0.00003 0.00006 -0.00005 -0.00197 -0.00195 81 4YZ 0.00004 -0.00005 0.00007 0.00133 0.00182 82 9 H 1S -0.00003 -0.00015 0.00031 0.00614 0.00517 83 2S 0.00039 0.00001 0.00031 -0.00390 -0.00278 84 10 C 1S -0.00163 -0.00002 0.00002 -0.08684 -0.08497 85 2S -0.00067 -0.00017 0.00025 0.16771 0.16223 86 2PX 0.00001 0.00004 -0.00002 -0.01154 -0.01158 87 2PY 0.00003 0.00001 0.00001 0.11743 0.12522 88 2PZ 0.00009 0.00000 0.00002 -0.00756 -0.00792 89 3S 0.00898 0.00123 -0.00331 0.05848 0.05171 90 3PX 0.00380 0.00038 -0.00143 0.00503 0.00442 91 3PY -0.00608 -0.00091 0.00133 -0.04310 -0.05924 92 3PZ -0.00155 -0.00040 0.00089 0.00212 0.00405 93 4XX -0.00017 -0.00002 0.00001 -0.01293 -0.01339 94 4YY -0.00015 -0.00001 -0.00003 0.01478 0.01344 95 4ZZ -0.00025 -0.00002 0.00005 -0.01346 -0.01381 96 4XY 0.00004 -0.00003 0.00005 -0.00286 -0.00285 97 4XZ 0.00010 -0.00005 0.00006 -0.00051 -0.00024 98 4YZ -0.00011 0.00002 -0.00002 -0.00230 -0.00222 99 11 O 1S 0.00008 -0.00002 -0.00001 -0.13489 0.13756 100 2S 0.00036 -0.00007 -0.00003 0.29005 -0.29283 101 2PX -0.00004 0.00000 0.00001 0.00985 -0.00996 102 2PY 0.00001 0.00000 0.00000 0.11108 -0.11239 103 2PZ 0.00001 -0.00002 -0.00001 0.00815 -0.00823 104 3S -0.00256 0.00049 0.00018 0.29525 -0.31632 105 3PX 0.00050 -0.00002 -0.00016 0.00383 -0.00480 106 3PY -0.00038 0.00007 -0.00008 0.04462 -0.04959 107 3PZ -0.00033 0.00011 0.00013 0.00354 -0.00388 108 4XX 0.00019 -0.00005 -0.00001 -0.00773 0.00903 109 4YY 0.00018 -0.00005 -0.00005 0.00643 -0.00597 110 4ZZ 0.00021 -0.00004 -0.00002 -0.00669 0.00794 111 4XY 0.00006 0.00000 -0.00002 0.00128 -0.00144 112 4XZ 0.00003 0.00000 -0.00001 0.00175 -0.00189 113 4YZ -0.00006 0.00001 0.00002 0.00099 -0.00104 114 12 O 1S -0.00008 -0.00002 0.00001 -0.13488 -0.13757 115 2S -0.00037 -0.00007 0.00003 0.29004 0.29283 116 2PX 0.00004 0.00000 -0.00001 0.00984 0.00995 117 2PY 0.00001 0.00000 0.00000 -0.11108 -0.11240 118 2PZ -0.00001 -0.00002 0.00001 0.00815 0.00823 119 3S 0.00257 0.00049 -0.00018 0.29524 0.31633 120 3PX -0.00050 -0.00002 0.00016 0.00383 0.00480 121 3PY -0.00038 -0.00007 -0.00008 -0.04462 -0.04959 122 3PZ 0.00033 0.00011 -0.00013 0.00354 0.00388 123 4XX -0.00019 -0.00005 0.00001 -0.00773 -0.00903 124 4YY -0.00018 -0.00005 0.00005 0.00643 0.00597 125 4ZZ -0.00021 -0.00004 0.00002 -0.00669 -0.00794 126 4XY 0.00006 0.00000 -0.00002 -0.00128 -0.00144 127 4XZ -0.00003 0.00000 0.00001 0.00175 0.00189 128 4YZ -0.00006 -0.00001 0.00002 -0.00099 -0.00104 129 13 C 1S 0.00016 -0.01105 -0.01072 -0.00251 0.00132 130 2S 0.00125 -0.00064 -0.00065 0.00349 -0.00167 131 2PX 0.00001 -0.00017 -0.00008 -0.00103 0.00103 132 2PY 0.00016 -0.00002 -0.00010 0.00029 0.00042 133 2PZ 0.00007 0.00004 -0.00002 -0.00046 0.00035 134 3S -0.00659 0.00197 0.00549 0.00685 -0.00122 135 3PX 0.00071 0.00090 0.00163 -0.00279 0.00389 136 3PY -0.00298 0.00001 0.00172 0.00600 -0.00151 137 3PZ 0.00133 -0.00065 -0.00084 -0.00012 -0.00089 138 4XX 0.00009 -0.00002 -0.00010 -0.00007 -0.00001 139 4YY 0.00022 0.00010 -0.00006 -0.00005 0.00008 140 4ZZ 0.00023 0.00003 -0.00003 -0.00041 0.00013 141 4XY 0.00010 -0.00003 -0.00004 -0.00007 0.00006 142 4XZ -0.00015 0.00008 0.00014 0.00000 -0.00020 143 4YZ 0.00009 -0.00003 0.00007 0.00009 -0.00003 144 14 C 1S 0.00023 0.70180 0.70216 -0.00095 0.00032 145 2S -0.00002 0.03492 0.03574 0.00239 0.00006 146 2PX -0.00008 -0.00029 -0.00032 -0.00110 0.00029 147 2PY 0.00000 -0.00007 0.00031 0.00045 0.00030 148 2PZ 0.00005 0.00003 0.00009 0.00033 0.00003 149 3S 0.00332 -0.00727 -0.01874 -0.00026 -0.00536 150 3PX -0.00160 0.00112 0.00331 0.00189 0.00202 151 3PY 0.00090 0.00031 -0.00431 -0.00156 -0.00165 152 3PZ 0.00088 -0.00054 -0.00207 -0.00041 -0.00247 153 4XX 0.00004 -0.00666 -0.00640 0.00000 0.00004 154 4YY 0.00005 -0.00675 -0.00613 0.00016 -0.00007 155 4ZZ -0.00001 -0.00665 -0.00638 0.00014 0.00006 156 4XY 0.00000 -0.00007 0.00002 0.00005 -0.00006 157 4XZ -0.00001 -0.00011 -0.00015 -0.00008 0.00012 158 4YZ 0.00005 0.00005 0.00006 -0.00007 0.00004 159 15 C 1S -0.00024 0.70184 -0.70212 -0.00095 -0.00032 160 2S 0.00002 0.03492 -0.03573 0.00239 -0.00006 161 2PX 0.00008 -0.00029 0.00032 -0.00110 -0.00029 162 2PY 0.00000 0.00007 0.00031 -0.00045 0.00030 163 2PZ -0.00005 0.00003 -0.00009 0.00033 -0.00003 164 3S -0.00332 -0.00727 0.01874 -0.00026 0.00536 165 3PX 0.00160 0.00112 -0.00331 0.00189 -0.00202 166 3PY 0.00090 -0.00031 -0.00431 0.00156 -0.00165 167 3PZ -0.00088 -0.00054 0.00207 -0.00041 0.00247 168 4XX -0.00004 -0.00666 0.00640 0.00000 -0.00004 169 4YY -0.00005 -0.00675 0.00613 0.00016 0.00007 170 4ZZ 0.00001 -0.00665 0.00637 0.00014 -0.00006 171 4XY 0.00000 0.00007 0.00002 -0.00005 -0.00006 172 4XZ 0.00001 -0.00011 0.00015 -0.00008 -0.00012 173 4YZ 0.00005 -0.00005 0.00006 0.00007 0.00004 174 16 C 1S -0.00016 -0.01105 0.01072 -0.00251 -0.00132 175 2S -0.00125 -0.00064 0.00065 0.00349 0.00167 176 2PX -0.00001 -0.00017 0.00008 -0.00103 -0.00103 177 2PY 0.00016 0.00002 -0.00010 -0.00029 0.00042 178 2PZ -0.00007 0.00004 0.00002 -0.00046 -0.00035 179 3S 0.00659 0.00197 -0.00549 0.00685 0.00122 180 3PX -0.00071 0.00090 -0.00163 -0.00279 -0.00389 181 3PY -0.00298 -0.00001 0.00172 -0.00600 -0.00151 182 3PZ -0.00133 -0.00065 0.00084 -0.00012 0.00089 183 4XX -0.00009 -0.00002 0.00010 -0.00007 0.00001 184 4YY -0.00022 0.00010 0.00006 -0.00005 -0.00008 185 4ZZ -0.00023 0.00003 0.00003 -0.00041 -0.00013 186 4XY 0.00010 0.00003 -0.00004 0.00007 0.00006 187 4XZ 0.00015 0.00008 -0.00014 0.00000 0.00020 188 4YZ 0.00009 0.00003 0.00007 -0.00009 -0.00003 189 17 H 1S 0.00007 -0.00007 0.00001 0.00130 -0.00063 190 2S -0.00056 -0.00001 0.00019 0.00490 -0.00388 191 18 H 1S 0.00001 -0.00038 -0.00033 0.00012 -0.00017 192 2S 0.00052 0.00114 0.00034 -0.00080 -0.00121 193 19 H 1S -0.00001 -0.00038 0.00033 0.00012 0.00017 194 2S -0.00052 0.00114 -0.00034 -0.00080 0.00121 195 20 H 1S -0.00007 -0.00007 -0.00001 0.00130 0.00063 196 2S 0.00056 -0.00001 -0.00019 0.00490 0.00388 197 21 C 1S 0.00000 0.00248 0.00000 -0.00183 0.00000 198 2S 0.00000 -0.00019 0.00000 0.00443 0.00000 199 2PX 0.00000 -0.00010 0.00000 -0.00112 0.00000 200 2PY -0.00030 0.00000 0.00014 0.00000 0.00120 201 2PZ 0.00000 -0.00004 0.00000 -0.00136 0.00000 202 3S 0.00000 0.00078 0.00000 -0.00714 0.00000 203 3PX 0.00000 0.00109 0.00000 0.00113 0.00000 204 3PY -0.00107 0.00000 0.00027 0.00000 -0.00372 205 3PZ 0.00000 -0.00047 0.00000 0.00392 0.00000 206 4XX 0.00000 0.00001 0.00000 0.00025 0.00000 207 4YY 0.00000 -0.00003 0.00000 0.00005 0.00000 208 4ZZ 0.00000 0.00007 0.00000 0.00012 0.00000 209 4XY -0.00002 0.00000 0.00002 0.00000 0.00004 210 4XZ 0.00000 -0.00010 0.00000 0.00018 0.00000 211 4YZ 0.00007 0.00000 0.00003 0.00000 0.00010 212 22 H 1S 0.00000 0.00002 0.00000 0.00238 0.00000 213 2S 0.00000 0.00071 0.00000 -0.00008 0.00000 214 23 H 1S 0.00000 -0.00019 0.00000 0.00048 0.00000 215 2S 0.00000 -0.00010 0.00000 -0.00089 0.00000 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 -0.01279 -0.11207 0.10251 -0.00041 -0.01307 2 2S 0.02328 0.21580 -0.20135 -0.00062 0.02471 3 2PX 0.00634 0.02979 0.01540 -0.00026 0.01137 4 2PY -0.00778 -0.06609 0.06480 0.00008 0.01525 5 2PZ -0.00377 -0.02218 -0.01014 0.00382 -0.00751 6 3S 0.01687 0.14606 -0.15920 0.00353 0.04011 7 3PX 0.00273 0.00295 0.00602 0.00239 0.00694 8 3PY -0.00172 -0.00509 -0.00086 -0.00106 -0.00995 9 3PZ -0.00054 -0.00075 -0.00475 0.00144 -0.00261 10 4XX -0.00025 -0.00388 0.00589 0.00003 0.00105 11 4YY 0.00002 0.00380 -0.00577 -0.00019 -0.00165 12 4ZZ -0.00109 -0.00740 0.00746 -0.00048 -0.00030 13 4XY -0.00024 -0.00156 0.00157 -0.00010 0.00071 14 4XZ -0.00089 -0.00661 0.00331 0.00041 -0.00185 15 4YZ 0.00015 0.00110 -0.00104 -0.00008 -0.00040 16 2 H 1S 0.00391 0.04498 -0.05912 0.00091 0.00778 17 2S 0.00040 0.00254 -0.00826 0.00047 0.00369 18 3 C 1S -0.01279 -0.11207 0.10251 -0.00041 0.01307 19 2S 0.02328 0.21580 -0.20135 -0.00062 -0.02471 20 2PX 0.00634 0.02979 0.01540 -0.00025 -0.01137 21 2PY 0.00778 0.06609 -0.06480 -0.00008 0.01525 22 2PZ -0.00377 -0.02218 -0.01014 0.00382 0.00751 23 3S 0.01687 0.14606 -0.15920 0.00353 -0.04011 24 3PX 0.00273 0.00295 0.00602 0.00239 -0.00694 25 3PY 0.00172 0.00509 0.00086 0.00106 -0.00995 26 3PZ -0.00054 -0.00075 -0.00475 0.00144 0.00261 27 4XX -0.00025 -0.00388 0.00589 0.00003 -0.00105 28 4YY 0.00002 0.00380 -0.00577 -0.00019 0.00165 29 4ZZ -0.00109 -0.00740 0.00746 -0.00048 0.00030 30 4XY 0.00024 0.00156 -0.00157 0.00010 0.00071 31 4XZ -0.00089 -0.00661 0.00331 0.00041 0.00185 32 4YZ -0.00015 -0.00110 0.00104 0.00008 -0.00040 33 4 H 1S 0.00391 0.04498 -0.05912 0.00091 -0.00778 34 2S 0.00040 0.00254 -0.00826 0.00047 -0.00369 35 5 C 1S -0.00832 -0.04874 -0.00986 0.00378 0.02565 36 2S 0.01648 0.09553 0.02111 -0.00810 -0.05471 37 2PX 0.01122 -0.00288 0.08833 -0.00283 -0.02489 38 2PY 0.03066 0.12629 0.01724 -0.00755 -0.04647 39 2PZ -0.00077 0.01459 -0.06085 0.00891 0.00392 40 3S 0.00867 0.06341 0.01072 -0.00495 -0.03483 41 3PX 0.00113 0.00063 0.00503 -0.00040 -0.00002 42 3PY 0.00281 0.03399 -0.00137 -0.00718 0.00458 43 3PZ 0.00092 0.00336 -0.00464 0.00362 -0.00047 44 4XX 0.00190 0.00391 0.00065 -0.00005 -0.00254 45 4YY -0.00168 -0.00573 -0.00104 0.00016 0.00433 46 4ZZ 0.00039 0.00014 -0.00055 0.00005 -0.00014 47 4XY 0.00059 -0.00211 0.00807 -0.00032 -0.00034 48 4XZ -0.00132 -0.00711 -0.00061 0.00110 0.00255 49 4YZ -0.00040 0.00064 -0.00586 0.00067 0.00058 50 6 C 1S -0.03485 -0.07666 -0.11864 0.01720 0.03680 51 2S 0.06605 0.14438 0.22871 -0.03513 -0.06799 52 2PX 0.00549 -0.03796 -0.01049 0.00265 0.00353 53 2PY 0.01720 0.03926 0.06057 -0.00890 0.04137 54 2PZ 0.01064 0.01635 -0.00876 0.01423 -0.01173 55 3S 0.04477 0.10420 0.19340 -0.02393 -0.09438 56 3PX -0.00040 -0.00345 -0.00067 -0.00160 -0.00005 57 3PY 0.00220 0.00448 0.00283 -0.00036 -0.00337 58 3PZ 0.00258 0.00449 0.00064 0.00733 -0.01120 59 4XX -0.00089 -0.00302 -0.00777 -0.00004 -0.00058 60 4YY 0.00070 0.00153 0.00518 -0.00120 0.00436 61 4ZZ -0.00115 -0.00429 -0.00587 0.00182 0.00015 62 4XY 0.00011 -0.00065 -0.00029 0.00033 -0.00009 63 4XZ -0.00065 -0.00518 -0.00451 0.00170 0.00201 64 4YZ 0.00088 0.00113 0.00212 -0.00018 0.00008 65 7 H 1S 0.01611 0.02868 0.06521 -0.01500 -0.02998 66 2S 0.00142 0.00183 0.01038 -0.00336 -0.00995 67 8 C 1S -0.03485 -0.07666 -0.11864 0.01720 -0.03679 68 2S 0.06605 0.14438 0.22871 -0.03513 0.06799 69 2PX 0.00549 -0.03796 -0.01049 0.00265 -0.00353 70 2PY -0.01720 -0.03926 -0.06057 0.00889 0.04137 71 2PZ 0.01064 0.01635 -0.00876 0.01423 0.01173 72 3S 0.04477 0.10421 0.19340 -0.02394 0.09438 73 3PX -0.00040 -0.00345 -0.00067 -0.00160 0.00005 74 3PY -0.00220 -0.00448 -0.00283 0.00036 -0.00337 75 3PZ 0.00258 0.00450 0.00064 0.00733 0.01120 76 4XX -0.00089 -0.00302 -0.00777 -0.00004 0.00058 77 4YY 0.00070 0.00153 0.00518 -0.00120 -0.00436 78 4ZZ -0.00115 -0.00429 -0.00587 0.00182 -0.00015 79 4XY -0.00011 0.00065 0.00029 -0.00033 -0.00009 80 4XZ -0.00065 -0.00518 -0.00451 0.00170 -0.00200 81 4YZ -0.00088 -0.00113 -0.00212 0.00018 0.00008 82 9 H 1S 0.01611 0.02868 0.06521 -0.01500 0.02998 83 2S 0.00142 0.00183 0.01038 -0.00336 0.00995 84 10 C 1S -0.00832 -0.04874 -0.00986 0.00378 -0.02565 85 2S 0.01648 0.09553 0.02111 -0.00810 0.05471 86 2PX 0.01122 -0.00288 0.08833 -0.00283 0.02489 87 2PY -0.03067 -0.12629 -0.01725 0.00755 -0.04647 88 2PZ -0.00077 0.01459 -0.06085 0.00891 -0.00392 89 3S 0.00867 0.06341 0.01072 -0.00495 0.03483 90 3PX 0.00113 0.00063 0.00503 -0.00040 0.00002 91 3PY -0.00281 -0.03399 0.00137 0.00718 0.00459 92 3PZ 0.00092 0.00336 -0.00464 0.00362 0.00047 93 4XX 0.00190 0.00391 0.00065 -0.00005 0.00254 94 4YY -0.00168 -0.00573 -0.00104 0.00016 -0.00433 95 4ZZ 0.00039 0.00014 -0.00055 0.00005 0.00014 96 4XY -0.00059 0.00211 -0.00807 0.00032 -0.00034 97 4XZ -0.00132 -0.00711 -0.00061 0.00110 -0.00255 98 4YZ 0.00040 -0.00064 0.00586 -0.00067 0.00058 99 11 O 1S 0.01357 0.04501 0.00592 -0.00184 -0.02034 100 2S -0.03045 -0.10328 -0.01268 0.00520 0.04487 101 2PX 0.00111 -0.00396 0.01933 -0.00021 -0.00704 102 2PY -0.00665 -0.01298 -0.00057 -0.00072 -0.00332 103 2PZ -0.00085 0.00022 -0.01394 0.00286 0.00152 104 3S -0.02910 -0.09012 -0.01735 -0.00029 0.06053 105 3PX 0.00067 -0.00067 0.00790 -0.00015 -0.00443 106 3PY -0.00133 0.00266 -0.00016 -0.00211 -0.00137 107 3PZ -0.00045 0.00009 -0.00572 0.00065 0.00074 108 4XX 0.00042 0.00016 0.00071 0.00040 -0.00108 109 4YY -0.00011 0.00071 0.00045 0.00007 -0.00180 110 4ZZ 0.00021 0.00000 0.00011 0.00041 -0.00047 111 4XY 0.00022 -0.00027 0.00244 -0.00005 -0.00101 112 4XZ -0.00009 -0.00044 -0.00006 0.00012 0.00025 113 4YZ -0.00009 0.00015 -0.00173 0.00025 0.00007 114 12 O 1S 0.01357 0.04501 0.00592 -0.00184 0.02034 115 2S -0.03045 -0.10328 -0.01268 0.00520 -0.04487 116 2PX 0.00111 -0.00396 0.01933 -0.00021 0.00704 117 2PY 0.00665 0.01298 0.00057 0.00072 -0.00332 118 2PZ -0.00085 0.00022 -0.01394 0.00286 -0.00152 119 3S -0.02910 -0.09012 -0.01735 -0.00028 -0.06053 120 3PX 0.00067 -0.00067 0.00790 -0.00015 0.00443 121 3PY 0.00133 -0.00266 0.00016 0.00211 -0.00137 122 3PZ -0.00045 0.00009 -0.00572 0.00065 -0.00074 123 4XX 0.00042 0.00016 0.00071 0.00040 0.00108 124 4YY -0.00011 0.00071 0.00045 0.00007 0.00180 125 4ZZ 0.00021 0.00000 0.00011 0.00041 0.00047 126 4XY -0.00022 0.00027 -0.00244 0.00005 -0.00101 127 4XZ -0.00009 -0.00044 -0.00006 0.00012 -0.00025 128 4YZ 0.00009 -0.00015 0.00173 -0.00025 0.00007 129 13 C 1S -0.09531 0.02030 0.00690 -0.03064 0.12312 130 2S 0.17690 -0.03849 -0.01436 0.06069 -0.24187 131 2PX 0.03116 -0.02120 -0.02693 -0.07236 -0.04415 132 2PY 0.06963 -0.01620 -0.00973 0.03146 0.01484 133 2PZ -0.00729 0.00024 -0.00339 0.09748 0.02327 134 3S 0.13474 -0.02581 -0.00442 0.04721 -0.22803 135 3PX 0.00284 -0.00080 -0.00538 -0.01254 -0.00825 136 3PY 0.02163 -0.00208 0.00048 -0.00126 -0.00022 137 3PZ -0.00420 0.00012 -0.00133 0.01852 0.00490 138 4XX -0.00450 0.00134 0.00020 -0.00675 0.00377 139 4YY 0.00519 -0.00118 -0.00074 0.00635 0.00170 140 4ZZ -0.00487 0.00120 0.00069 -0.00037 0.00534 141 4XY 0.00334 -0.00177 -0.00199 -0.00595 -0.00357 142 4XZ -0.00600 0.00218 0.00243 0.00190 0.00640 143 4YZ 0.00024 -0.00004 -0.00021 0.00957 0.00246 144 14 C 1S -0.09695 0.03127 0.02817 0.10493 0.07600 145 2S 0.18461 -0.05968 -0.05500 -0.20747 -0.15289 146 2PX -0.05242 0.01046 -0.00041 -0.01886 0.05473 147 2PY 0.04736 -0.01636 -0.01730 -0.06508 0.08723 148 2PZ 0.03923 -0.01165 -0.00833 0.03088 -0.03780 149 3S 0.10644 -0.04111 -0.04043 -0.16694 -0.09650 150 3PX -0.00060 0.00140 -0.00036 -0.00738 -0.00738 151 3PY 0.00231 -0.00169 -0.00306 -0.00476 0.02850 152 3PZ -0.00033 -0.00185 -0.00257 0.01179 0.00923 153 4XX -0.00212 0.00146 0.00220 0.00659 -0.00253 154 4YY 0.00263 -0.00103 -0.00133 -0.00618 0.00875 155 4ZZ -0.00454 0.00152 0.00135 0.00816 0.00035 156 4XY -0.00220 0.00065 0.00058 0.00242 -0.00304 157 4XZ -0.00828 0.00261 0.00218 0.00255 0.00863 158 4YZ 0.00215 -0.00074 -0.00086 -0.00205 0.00137 159 15 C 1S -0.09695 0.03127 0.02817 0.10494 -0.07599 160 2S 0.18461 -0.05968 -0.05500 -0.20747 0.15288 161 2PX -0.05242 0.01046 -0.00041 -0.01886 -0.05474 162 2PY -0.04736 0.01636 0.01730 0.06508 0.08723 163 2PZ 0.03923 -0.01165 -0.00833 0.03088 0.03780 164 3S 0.10644 -0.04111 -0.04043 -0.16695 0.09649 165 3PX -0.00060 0.00140 -0.00036 -0.00738 0.00738 166 3PY -0.00231 0.00169 0.00306 0.00476 0.02850 167 3PZ -0.00033 -0.00185 -0.00257 0.01179 -0.00923 168 4XX -0.00212 0.00146 0.00220 0.00659 0.00253 169 4YY 0.00263 -0.00103 -0.00133 -0.00618 -0.00875 170 4ZZ -0.00454 0.00152 0.00135 0.00816 -0.00035 171 4XY 0.00220 -0.00065 -0.00058 -0.00242 -0.00304 172 4XZ -0.00828 0.00261 0.00218 0.00255 -0.00863 173 4YZ -0.00215 0.00074 0.00086 0.00205 0.00137 174 16 C 1S -0.09531 0.02030 0.00690 -0.03064 -0.12312 175 2S 0.17691 -0.03849 -0.01436 0.06068 0.24187 176 2PX 0.03116 -0.02120 -0.02693 -0.07236 0.04414 177 2PY -0.06963 0.01620 0.00973 -0.03146 0.01484 178 2PZ -0.00729 0.00024 -0.00339 0.09749 -0.02326 179 3S 0.13474 -0.02581 -0.00442 0.04720 0.22803 180 3PX 0.00284 -0.00080 -0.00538 -0.01254 0.00824 181 3PY -0.02163 0.00208 -0.00048 0.00126 -0.00021 182 3PZ -0.00420 0.00012 -0.00133 0.01852 -0.00490 183 4XX -0.00450 0.00134 0.00020 -0.00675 -0.00377 184 4YY 0.00519 -0.00118 -0.00074 0.00635 -0.00170 185 4ZZ -0.00487 0.00120 0.00069 -0.00037 -0.00534 186 4XY -0.00334 0.00177 0.00199 0.00595 -0.00357 187 4XZ -0.00600 0.00218 0.00243 0.00190 -0.00640 188 4YZ -0.00024 0.00004 0.00021 -0.00957 0.00246 189 17 H 1S 0.03219 -0.00597 0.00023 0.02264 -0.08592 190 2S 0.00458 -0.00077 0.00046 0.00324 -0.02110 191 18 H 1S 0.03121 -0.01192 -0.01375 -0.06924 -0.05144 192 2S -0.00141 -0.00104 -0.00297 -0.01568 -0.00601 193 19 H 1S 0.03121 -0.01192 -0.01375 -0.06925 0.05144 194 2S -0.00141 -0.00104 -0.00297 -0.01568 0.00601 195 20 H 1S 0.03219 -0.00597 0.00023 0.02264 0.08592 196 2S 0.00458 -0.00077 0.00046 0.00324 0.02110 197 21 C 1S -0.09365 0.01689 0.00682 -0.14600 0.00000 198 2S 0.17451 -0.03166 -0.01186 0.28453 0.00001 199 2PX 0.03568 -0.01925 -0.01556 -0.00471 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.10631 201 2PZ -0.05666 0.00869 -0.00175 0.01103 0.00000 202 3S 0.11671 -0.02176 -0.01581 0.27016 0.00000 203 3PX 0.00746 -0.00813 -0.00691 -0.00603 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.01977 205 3PZ -0.00060 0.00362 -0.00015 0.00503 0.00000 206 4XX -0.00089 0.00050 -0.00029 0.00114 0.00000 207 4YY -0.00160 0.00007 0.00030 -0.00447 0.00000 208 4ZZ 0.00231 -0.00059 0.00024 -0.00172 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00599 210 4XZ -0.00507 0.00211 0.00145 0.00161 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01088 212 22 H 1S 0.03725 0.00209 -0.00073 0.10141 0.00000 213 2S 0.00124 -0.00259 -0.00133 0.02187 0.00000 214 23 H 1S 0.04338 -0.01105 -0.00766 0.09909 0.00000 215 2S -0.00133 -0.00167 -0.00003 0.02490 0.00000 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 0.07215 -0.08288 0.03723 -0.01421 -0.00233 2 2S -0.14399 0.16862 -0.07678 0.02804 0.00361 3 2PX -0.04127 -0.00364 0.13675 -0.06855 -0.00207 4 2PY -0.09231 0.11860 0.08668 -0.04613 0.00358 5 2PZ 0.03119 0.00044 -0.10026 0.05287 0.00495 6 3S -0.14416 0.15917 -0.06971 0.02967 0.01728 7 3PX -0.00454 -0.00217 0.04400 -0.02110 0.00428 8 3PY -0.00773 0.05715 0.01628 -0.00852 -0.00469 9 3PZ 0.00204 0.00102 -0.03205 0.01786 -0.00058 10 4XX -0.00315 0.00021 0.00465 -0.00236 0.00010 11 4YY 0.00720 -0.00517 -0.00465 0.00189 -0.00007 12 4ZZ 0.00116 -0.00278 0.00384 -0.00167 -0.00052 13 4XY -0.00227 -0.00187 0.00313 -0.00189 -0.00024 14 4XZ 0.00831 -0.00621 -0.00174 0.00133 0.00007 15 4YZ 0.00171 0.00109 -0.00245 0.00104 0.00051 16 2 H 1S -0.05413 0.09487 -0.07540 0.03442 0.00505 17 2S -0.01307 0.03354 -0.03542 0.01725 0.00483 18 3 C 1S -0.07215 0.08288 0.03723 -0.01421 0.00233 19 2S 0.14399 -0.16862 -0.07678 0.02804 -0.00360 20 2PX 0.04127 0.00364 0.13675 -0.06855 0.00207 21 2PY -0.09231 0.11860 -0.08668 0.04613 0.00358 22 2PZ -0.03119 -0.00044 -0.10026 0.05287 -0.00495 23 3S 0.14416 -0.15917 -0.06971 0.02968 -0.01728 24 3PX 0.00454 0.00217 0.04400 -0.02110 -0.00428 25 3PY -0.00773 0.05715 -0.01628 0.00852 -0.00469 26 3PZ -0.00204 -0.00102 -0.03205 0.01786 0.00058 27 4XX 0.00315 -0.00021 0.00465 -0.00236 -0.00010 28 4YY -0.00720 0.00517 -0.00465 0.00189 0.00007 29 4ZZ -0.00116 0.00278 0.00384 -0.00167 0.00052 30 4XY -0.00227 -0.00187 -0.00313 0.00189 -0.00024 31 4XZ -0.00831 0.00621 -0.00174 0.00133 -0.00007 32 4YZ 0.00171 0.00109 0.00245 -0.00104 0.00051 33 4 H 1S 0.05413 -0.09487 -0.07540 0.03442 -0.00505 34 2S 0.01307 -0.03354 -0.03542 0.01725 -0.00483 35 5 C 1S -0.09003 -0.00253 -0.07434 0.04035 -0.00610 36 2S 0.19001 0.00615 0.16212 -0.09000 0.01415 37 2PX 0.00217 0.16875 -0.00539 -0.00151 0.00176 38 2PY 0.14474 -0.00134 0.08826 -0.04138 0.00591 39 2PZ 0.01628 -0.12171 0.01423 -0.01832 -0.02143 40 3S 0.15363 -0.00196 0.13370 -0.07094 0.01308 41 3PX 0.00186 0.01475 0.00531 0.00020 -0.00110 42 3PY 0.02835 -0.00570 0.03507 -0.01407 0.01475 43 3PZ 0.00448 -0.01276 0.00432 -0.00597 -0.00877 44 4XX 0.00424 -0.00004 -0.00449 0.00080 -0.00043 45 4YY -0.01299 -0.00007 -0.00674 0.00453 -0.00030 46 4ZZ -0.00072 -0.00069 -0.00480 0.00270 0.00011 47 4XY -0.00124 0.00542 -0.00028 0.00142 0.00064 48 4XZ -0.00924 0.00051 -0.00065 0.00015 -0.00132 49 4YZ 0.00005 -0.00380 0.00013 -0.00050 0.00003 50 6 C 1S -0.06346 -0.08312 0.03483 -0.02849 -0.01024 51 2S 0.12423 0.16590 -0.07032 0.05942 0.02412 52 2PX -0.05438 -0.01845 -0.12097 0.04213 -0.00786 53 2PY -0.07289 -0.10940 -0.05973 0.06698 -0.01449 54 2PZ 0.02188 -0.01328 0.08978 -0.06660 -0.01762 55 3S 0.13154 0.18075 -0.07874 0.05219 0.00283 56 3PX -0.00751 -0.01181 -0.03929 0.01206 0.00311 57 3PY -0.00112 -0.04417 -0.00775 0.01741 -0.01171 58 3PZ 0.00430 0.00065 0.02751 -0.02244 -0.01467 59 4XX 0.00175 -0.00214 0.00701 -0.00557 0.00090 60 4YY -0.00761 -0.00646 -0.00418 0.00334 -0.00073 61 4ZZ -0.00001 0.00003 -0.00003 -0.00097 -0.00074 62 4XY 0.00405 0.00182 0.00204 -0.00094 0.00067 63 4XZ -0.00730 -0.00554 -0.00269 -0.00014 -0.00201 64 4YZ -0.00028 0.00309 -0.00274 0.00215 0.00187 65 7 H 1S 0.04245 0.08879 -0.07015 0.03946 0.01975 66 2S 0.00943 0.03325 -0.03213 0.02052 0.00980 67 8 C 1S 0.06346 0.08311 0.03483 -0.02849 0.01024 68 2S -0.12423 -0.16590 -0.07032 0.05942 -0.02412 69 2PX 0.05438 0.01844 -0.12097 0.04212 0.00786 70 2PY -0.07289 -0.10940 0.05973 -0.06698 -0.01449 71 2PZ -0.02188 0.01328 0.08978 -0.06660 0.01762 72 3S -0.13154 -0.18075 -0.07874 0.05219 -0.00283 73 3PX 0.00751 0.01181 -0.03929 0.01206 -0.00311 74 3PY -0.00112 -0.04417 0.00775 -0.01741 -0.01171 75 3PZ -0.00430 -0.00065 0.02751 -0.02244 0.01467 76 4XX -0.00175 0.00214 0.00701 -0.00557 -0.00090 77 4YY 0.00761 0.00646 -0.00418 0.00334 0.00073 78 4ZZ 0.00001 -0.00003 -0.00003 -0.00097 0.00074 79 4XY 0.00405 0.00182 -0.00204 0.00094 0.00067 80 4XZ 0.00730 0.00554 -0.00269 -0.00014 0.00201 81 4YZ -0.00028 0.00308 0.00274 -0.00215 0.00187 82 9 H 1S -0.04245 -0.08879 -0.07015 0.03946 -0.01975 83 2S -0.00943 -0.03325 -0.03213 0.02052 -0.00980 84 10 C 1S 0.09003 0.00253 -0.07434 0.04035 0.00611 85 2S -0.19001 -0.00615 0.16212 -0.09000 -0.01415 86 2PX -0.00217 -0.16875 -0.00539 -0.00151 -0.00176 87 2PY 0.14474 -0.00134 -0.08826 0.04138 0.00591 88 2PZ -0.01628 0.12171 0.01423 -0.01832 0.02143 89 3S -0.15363 0.00196 0.13370 -0.07094 -0.01308 90 3PX -0.00186 -0.01476 0.00531 0.00020 0.00110 91 3PY 0.02835 -0.00570 -0.03507 0.01407 0.01475 92 3PZ -0.00448 0.01276 0.00432 -0.00597 0.00877 93 4XX -0.00424 0.00004 -0.00449 0.00080 0.00043 94 4YY 0.01299 0.00007 -0.00674 0.00453 0.00030 95 4ZZ 0.00072 0.00069 -0.00480 0.00270 -0.00011 96 4XY -0.00124 0.00542 0.00028 -0.00142 0.00064 97 4XZ 0.00924 -0.00051 -0.00065 0.00015 0.00132 98 4YZ 0.00005 -0.00380 -0.00013 0.00050 0.00003 99 11 O 1S 0.05857 -0.00018 0.03334 -0.02168 0.00221 100 2S -0.13159 0.00100 -0.07639 0.04984 -0.00605 101 2PX -0.00165 0.06196 -0.00093 -0.00624 -0.00209 102 2PY 0.02837 -0.00194 0.05387 -0.03450 0.00836 103 2PZ 0.00396 -0.04530 0.00661 -0.00905 -0.01230 104 3S -0.16454 -0.00203 -0.09726 0.06591 -0.00013 105 3PX -0.00128 0.03280 -0.00177 -0.00490 -0.00152 106 3PY 0.01701 -0.00130 0.03295 -0.01994 0.00674 107 3PZ 0.00144 -0.02408 0.00342 -0.00504 -0.00635 108 4XX 0.00119 0.00112 -0.00079 -0.00002 -0.00069 109 4YY 0.00688 -0.00012 0.00739 -0.00417 0.00064 110 4ZZ 0.00070 -0.00044 -0.00076 0.00053 -0.00054 111 4XY 0.00016 0.00659 0.00012 -0.00074 -0.00003 112 4XZ -0.00111 0.00008 -0.00036 0.00004 -0.00036 113 4YZ 0.00079 -0.00482 0.00100 -0.00111 -0.00099 114 12 O 1S -0.05857 0.00018 0.03334 -0.02168 -0.00221 115 2S 0.13159 -0.00100 -0.07639 0.04984 0.00605 116 2PX 0.00165 -0.06196 -0.00093 -0.00624 0.00210 117 2PY 0.02837 -0.00193 -0.05387 0.03450 0.00836 118 2PZ -0.00396 0.04530 0.00661 -0.00905 0.01230 119 3S 0.16454 0.00204 -0.09726 0.06591 0.00013 120 3PX 0.00128 -0.03280 -0.00177 -0.00490 0.00152 121 3PY 0.01701 -0.00130 -0.03295 0.01994 0.00674 122 3PZ -0.00143 0.02408 0.00342 -0.00504 0.00635 123 4XX -0.00119 -0.00112 -0.00079 -0.00002 0.00069 124 4YY -0.00688 0.00012 0.00739 -0.00417 -0.00064 125 4ZZ -0.00070 0.00044 -0.00076 0.00053 0.00054 126 4XY 0.00016 0.00659 -0.00012 0.00074 -0.00003 127 4XZ 0.00111 -0.00008 -0.00036 0.00004 0.00036 128 4YZ 0.00079 -0.00482 -0.00100 0.00111 -0.00099 129 13 C 1S 0.03906 0.01392 0.04060 0.08144 0.06101 130 2S -0.07846 -0.03143 -0.08136 -0.16768 -0.12553 131 2PX -0.03332 -0.03253 -0.00187 -0.02783 0.11126 132 2PY 0.00412 -0.00189 0.03331 0.09987 0.04943 133 2PZ 0.00511 -0.00143 0.03128 0.03525 -0.12770 134 3S -0.07055 -0.02118 -0.08882 -0.16927 -0.12932 135 3PX -0.00648 -0.01287 0.00397 0.00180 0.03752 136 3PY 0.00051 0.00326 0.00574 0.04223 0.02524 137 3PZ -0.00104 -0.00379 0.01142 0.00639 -0.04054 138 4XX 0.00174 0.00001 0.00424 0.00505 0.01021 139 4YY 0.00020 -0.00021 -0.00143 -0.00353 -0.00785 140 4ZZ 0.00172 0.00067 0.00331 0.00915 0.00446 141 4XY -0.00112 -0.00052 -0.00033 -0.00312 -0.00022 142 4XZ 0.00323 0.00282 -0.00114 0.00051 -0.00361 143 4YZ 0.00093 0.00049 0.00395 0.00671 -0.00017 144 14 C 1S 0.03141 0.02075 -0.02845 -0.03159 -0.09168 145 2S -0.06295 -0.04313 0.05902 0.06408 0.18870 146 2PX 0.01709 0.00366 0.07281 0.09980 0.04653 147 2PY 0.03699 0.02574 0.05540 0.10828 -0.12073 148 2PZ -0.01491 -0.00836 -0.03726 -0.08018 -0.05585 149 3S -0.05014 -0.03510 0.05649 0.06211 0.18110 150 3PX -0.00127 -0.00374 0.02283 0.03168 0.02683 151 3PY 0.01031 0.00810 0.01308 0.02571 -0.04930 152 3PZ 0.00037 0.00048 -0.00829 -0.02696 -0.03052 153 4XX -0.00050 0.00016 -0.00459 -0.00547 -0.00134 154 4YY 0.00333 0.00193 0.00324 0.00377 -0.00772 155 4ZZ 0.00006 -0.00015 -0.00134 -0.00255 -0.00242 156 4XY -0.00069 0.00037 -0.00160 -0.00386 -0.00765 157 4XZ 0.00358 0.00230 -0.00043 0.00217 -0.00574 158 4YZ 0.00044 -0.00004 0.00222 0.00319 0.00841 159 15 C 1S -0.03141 -0.02075 -0.02845 -0.03159 0.09168 160 2S 0.06295 0.04313 0.05902 0.06408 -0.18870 161 2PX -0.01709 -0.00365 0.07281 0.09980 -0.04653 162 2PY 0.03699 0.02574 -0.05540 -0.10828 -0.12073 163 2PZ 0.01491 0.00836 -0.03726 -0.08018 0.05585 164 3S 0.05014 0.03510 0.05649 0.06211 -0.18110 165 3PX 0.00127 0.00374 0.02284 0.03168 -0.02683 166 3PY 0.01031 0.00810 -0.01308 -0.02571 -0.04930 167 3PZ -0.00037 -0.00048 -0.00829 -0.02696 0.03052 168 4XX 0.00050 -0.00016 -0.00459 -0.00547 0.00134 169 4YY -0.00333 -0.00193 0.00324 0.00377 0.00772 170 4ZZ -0.00006 0.00015 -0.00134 -0.00255 0.00242 171 4XY -0.00069 0.00037 0.00160 0.00386 -0.00765 172 4XZ -0.00358 -0.00230 -0.00043 0.00217 0.00574 173 4YZ 0.00044 -0.00004 -0.00222 -0.00319 0.00841 174 16 C 1S -0.03906 -0.01392 0.04060 0.08144 -0.06101 175 2S 0.07846 0.03143 -0.08136 -0.16768 0.12553 176 2PX 0.03332 0.03253 -0.00187 -0.02783 -0.11127 177 2PY 0.00412 -0.00190 -0.03331 -0.09987 0.04943 178 2PZ -0.00511 0.00143 0.03128 0.03525 0.12770 179 3S 0.07055 0.02118 -0.08882 -0.16927 0.12932 180 3PX 0.00648 0.01287 0.00397 0.00181 -0.03752 181 3PY 0.00051 0.00326 -0.00574 -0.04223 0.02524 182 3PZ 0.00104 0.00379 0.01143 0.00639 0.04054 183 4XX -0.00174 -0.00001 0.00424 0.00505 -0.01021 184 4YY -0.00020 0.00021 -0.00143 -0.00353 0.00785 185 4ZZ -0.00172 -0.00067 0.00331 0.00915 -0.00446 186 4XY -0.00112 -0.00052 0.00033 0.00312 -0.00022 187 4XZ -0.00323 -0.00282 -0.00114 0.00051 0.00361 188 4YZ 0.00093 0.00049 -0.00395 -0.00671 -0.00017 189 17 H 1S -0.02655 -0.00758 -0.04560 -0.11120 -0.10412 190 2S -0.00985 0.00009 -0.02374 -0.04682 -0.05135 191 18 H 1S -0.02419 -0.02056 0.03944 0.04727 0.15029 192 2S -0.00548 -0.00626 0.01869 0.02168 0.07513 193 19 H 1S 0.02419 0.02056 0.03944 0.04727 -0.15029 194 2S 0.00548 0.00626 0.01868 0.02168 -0.07513 195 20 H 1S 0.02655 0.00758 -0.04560 -0.11120 0.10412 196 2S 0.00985 -0.00009 -0.02374 -0.04682 0.05135 197 21 C 1S 0.00000 0.00000 -0.03996 -0.07895 0.00000 198 2S 0.00000 0.00000 0.07908 0.15923 0.00000 199 2PX 0.00000 0.00000 -0.02131 -0.03878 0.00000 200 2PY 0.03188 0.01224 0.00000 0.00000 0.17104 201 2PZ 0.00000 0.00000 0.06655 0.11136 0.00000 202 3S 0.00000 0.00000 0.09869 0.17497 0.00000 203 3PX 0.00000 0.00000 -0.00567 -0.01699 0.00000 204 3PY 0.00404 0.00571 0.00000 0.00000 0.06344 205 3PZ 0.00000 0.00000 0.02111 0.04308 0.00000 206 4XX 0.00000 0.00000 0.00494 0.00704 0.00000 207 4YY 0.00000 0.00000 -0.00631 -0.01342 0.00000 208 4ZZ 0.00000 0.00000 -0.00140 -0.00057 0.00000 209 4XY 0.00308 0.00160 0.00000 0.00000 0.00285 210 4XZ 0.00000 0.00000 0.00197 0.00376 0.00000 211 4YZ -0.00297 -0.00105 0.00000 0.00000 -0.00870 212 22 H 1S 0.00000 0.00000 0.05629 0.10010 0.00000 213 2S 0.00000 0.00000 0.02607 0.04510 0.00000 214 23 H 1S 0.00000 0.00000 0.05177 0.09749 0.00000 215 2S 0.00000 0.00000 0.02252 0.04617 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46922 1 1 C 1S -0.00245 0.00980 -0.00025 -0.00346 -0.04401 2 2S 0.00414 -0.01988 -0.00293 0.00859 0.08791 3 2PX -0.01820 -0.00008 0.10813 0.06341 -0.12580 4 2PY -0.02360 0.30540 -0.06563 -0.03118 0.06238 5 2PZ 0.02658 -0.00262 -0.04591 -0.11266 0.09246 6 3S 0.00195 0.01027 0.01017 0.01358 0.15766 7 3PX -0.00500 0.00007 0.05259 0.02131 -0.01754 8 3PY -0.00955 0.09702 -0.01373 -0.00002 0.00952 9 3PZ 0.01069 -0.00059 -0.02032 -0.05178 0.01623 10 4XX -0.00008 0.00612 -0.00138 -0.00458 0.00031 11 4YY 0.00018 -0.00273 0.00008 0.00063 -0.00283 12 4ZZ -0.00078 0.00373 -0.00329 0.00110 -0.00155 13 4XY -0.00066 0.00191 -0.00077 0.00098 -0.01353 14 4XZ 0.00084 -0.00465 0.00272 0.00003 -0.00316 15 4YZ 0.00023 -0.00150 -0.00037 0.00045 0.00997 16 2 H 1S 0.00854 0.08034 -0.07251 -0.06146 0.14610 17 2S 0.00484 0.05590 -0.04090 -0.04093 0.11325 18 3 C 1S -0.00245 0.00980 -0.00025 -0.00346 0.04401 19 2S 0.00414 -0.01988 -0.00293 0.00859 -0.08790 20 2PX -0.01820 -0.00009 0.10813 0.06341 0.12580 21 2PY 0.02360 -0.30540 0.06563 0.03118 0.06238 22 2PZ 0.02658 -0.00262 -0.04591 -0.11266 -0.09247 23 3S 0.00195 0.01027 0.01017 0.01359 -0.15766 24 3PX -0.00500 0.00007 0.05259 0.02131 0.01754 25 3PY 0.00955 -0.09702 0.01373 0.00002 0.00952 26 3PZ 0.01069 -0.00059 -0.02032 -0.05178 -0.01623 27 4XX -0.00008 0.00612 -0.00138 -0.00458 -0.00031 28 4YY 0.00018 -0.00273 0.00008 0.00063 0.00283 29 4ZZ -0.00078 0.00373 -0.00329 0.00110 0.00155 30 4XY 0.00066 -0.00191 0.00077 -0.00098 -0.01353 31 4XZ 0.00084 -0.00465 0.00272 0.00003 0.00316 32 4YZ -0.00023 0.00150 0.00037 -0.00045 0.00997 33 4 H 1S 0.00854 0.08034 -0.07251 -0.06145 -0.14610 34 2S 0.00484 0.05590 -0.04090 -0.04092 -0.11325 35 5 C 1S 0.00549 -0.01713 0.03952 0.01639 -0.07169 36 2S -0.01361 0.04178 -0.09362 -0.03846 0.15895 37 2PX 0.03729 -0.17129 -0.05229 -0.13294 -0.00307 38 2PY -0.01061 -0.04172 0.07256 0.06016 -0.01181 39 2PZ -0.00815 0.13052 0.10352 -0.01015 0.01190 40 3S -0.00366 0.04283 -0.09262 -0.04836 0.19611 41 3PX 0.00868 -0.03927 -0.00179 -0.04080 0.00963 42 3PY -0.00974 -0.02276 0.01557 0.02549 0.06786 43 3PZ 0.00425 0.03498 0.03065 -0.02379 0.01158 44 4XX 0.00071 0.00215 -0.00011 -0.00108 -0.00988 45 4YY -0.00067 -0.00666 0.00967 0.00424 -0.00095 46 4ZZ 0.00068 0.00064 -0.00013 0.00128 -0.00917 47 4XY -0.00082 0.00350 0.00133 -0.00078 0.00021 48 4XZ 0.00026 -0.00267 0.00453 -0.00009 0.00422 49 4YZ 0.00006 -0.00302 0.00029 0.00013 0.00050 50 6 C 1S -0.00051 -0.00753 -0.00231 -0.01053 0.04534 51 2S -0.00029 0.01633 0.00208 0.02301 -0.08900 52 2PX 0.00482 0.09714 0.03632 -0.01678 -0.09653 53 2PY -0.04224 0.10518 0.21006 0.11471 0.05820 54 2PZ -0.00659 -0.05567 0.09216 -0.10815 0.10980 55 3S 0.00832 0.00787 -0.00512 0.00842 -0.16421 56 3PX 0.00156 0.04028 0.01184 -0.01500 -0.01354 57 3PY -0.01559 0.04054 0.07392 0.03903 0.01221 58 3PZ 0.00173 -0.02243 0.04761 -0.04880 0.01564 59 4XX -0.00073 -0.00258 -0.00360 -0.00080 0.00423 60 4YY -0.00011 0.00146 0.00166 0.00192 0.00384 61 4ZZ 0.00135 0.00133 -0.00311 -0.00438 -0.00314 62 4XY -0.00081 -0.00127 -0.00244 -0.00459 0.00896 63 4XZ -0.00074 0.00113 0.00414 -0.00156 0.00214 64 4YZ -0.00081 0.00088 0.00119 0.00016 -0.01122 65 7 H 1S 0.01637 0.02465 -0.08293 0.01892 -0.13633 66 2S 0.01521 0.01029 -0.04700 0.01277 -0.10245 67 8 C 1S -0.00051 -0.00753 -0.00231 -0.01053 -0.04534 68 2S -0.00029 0.01633 0.00208 0.02301 0.08900 69 2PX 0.00482 0.09714 0.03632 -0.01678 0.09653 70 2PY 0.04224 -0.10518 -0.21006 -0.11471 0.05819 71 2PZ -0.00659 -0.05567 0.09216 -0.10815 -0.10981 72 3S 0.00831 0.00787 -0.00512 0.00842 0.16421 73 3PX 0.00156 0.04028 0.01184 -0.01500 0.01354 74 3PY 0.01559 -0.04054 -0.07393 -0.03903 0.01221 75 3PZ 0.00173 -0.02243 0.04761 -0.04880 -0.01564 76 4XX -0.00073 -0.00258 -0.00360 -0.00080 -0.00423 77 4YY -0.00011 0.00146 0.00166 0.00192 -0.00384 78 4ZZ 0.00135 0.00133 -0.00311 -0.00438 0.00314 79 4XY 0.00081 0.00127 0.00244 0.00459 0.00896 80 4XZ -0.00074 0.00113 0.00414 -0.00156 -0.00214 81 4YZ 0.00081 -0.00088 -0.00119 -0.00016 -0.01122 82 9 H 1S 0.01637 0.02465 -0.08293 0.01891 0.13634 83 2S 0.01521 0.01029 -0.04700 0.01277 0.10245 84 10 C 1S 0.00549 -0.01713 0.03952 0.01639 0.07169 85 2S -0.01361 0.04178 -0.09362 -0.03845 -0.15895 86 2PX 0.03729 -0.17129 -0.05230 -0.13294 0.00307 87 2PY 0.01061 0.04172 -0.07256 -0.06015 -0.01181 88 2PZ -0.00815 0.13052 0.10352 -0.01015 -0.01190 89 3S -0.00366 0.04283 -0.09262 -0.04835 -0.19611 90 3PX 0.00868 -0.03926 -0.00179 -0.04080 -0.00963 91 3PY 0.00974 0.02276 -0.01557 -0.02549 0.06786 92 3PZ 0.00425 0.03498 0.03065 -0.02379 -0.01158 93 4XX 0.00071 0.00215 -0.00011 -0.00108 0.00988 94 4YY -0.00067 -0.00666 0.00967 0.00424 0.00095 95 4ZZ 0.00068 0.00064 -0.00013 0.00128 0.00917 96 4XY 0.00082 -0.00350 -0.00133 0.00078 0.00021 97 4XZ 0.00026 -0.00267 0.00453 -0.00009 -0.00422 98 4YZ -0.00006 0.00302 -0.00029 -0.00013 0.00050 99 11 O 1S 0.00047 0.02758 -0.04869 -0.02371 0.03845 100 2S -0.00009 -0.05705 0.10275 0.04772 -0.08542 101 2PX 0.02370 -0.09845 -0.04626 -0.08931 0.01683 102 2PY -0.00558 0.08597 -0.15987 -0.07608 0.16982 103 2PZ -0.00230 0.09069 0.05008 -0.02312 0.01941 104 3S -0.00749 -0.12132 0.20066 0.10955 -0.12808 105 3PX 0.01376 -0.05965 -0.02667 -0.04964 0.00891 106 3PY -0.00590 0.03838 -0.07640 -0.03303 0.09620 107 3PZ -0.00209 0.05170 0.02972 -0.00973 0.01020 108 4XX 0.00112 0.00044 -0.00239 -0.00285 -0.00169 109 4YY -0.00054 0.00844 -0.01461 -0.00657 0.01366 110 4ZZ 0.00046 0.00216 -0.00062 -0.00138 -0.00162 111 4XY 0.00192 -0.00806 -0.00427 -0.00762 0.00162 112 4XZ 0.00023 -0.00093 0.00165 -0.00012 0.00054 113 4YZ -0.00038 0.00771 0.00391 -0.00177 0.00184 114 12 O 1S 0.00047 0.02758 -0.04869 -0.02370 -0.03845 115 2S -0.00009 -0.05705 0.10275 0.04772 0.08542 116 2PX 0.02370 -0.09846 -0.04625 -0.08931 -0.01682 117 2PY 0.00558 -0.08597 0.15987 0.07608 0.16982 118 2PZ -0.00230 0.09069 0.05008 -0.02312 -0.01942 119 3S -0.00749 -0.12132 0.20066 0.10955 0.12808 120 3PX 0.01376 -0.05965 -0.02667 -0.04964 -0.00890 121 3PY 0.00590 -0.03838 0.07640 0.03303 0.09620 122 3PZ -0.00209 0.05170 0.02972 -0.00973 -0.01020 123 4XX 0.00112 0.00044 -0.00239 -0.00285 0.00169 124 4YY -0.00054 0.00843 -0.01461 -0.00657 -0.01366 125 4ZZ 0.00046 0.00216 -0.00061 -0.00138 0.00162 126 4XY -0.00192 0.00806 0.00427 0.00762 0.00162 127 4XZ 0.00023 -0.00093 0.00165 -0.00012 -0.00054 128 4YZ 0.00038 -0.00771 -0.00391 0.00177 0.00184 129 13 C 1S -0.01540 -0.00161 -0.00540 -0.00399 -0.00211 130 2S 0.03194 0.00136 0.01047 0.01124 0.00551 131 2PX -0.04957 -0.01942 -0.05774 0.10936 0.01327 132 2PY -0.20979 -0.01431 -0.00242 -0.05501 0.00205 133 2PZ 0.03121 -0.00946 -0.02463 0.04459 0.02429 134 3S 0.04653 0.01827 0.02058 -0.00488 0.01008 135 3PX -0.01420 -0.00168 -0.01973 0.05169 0.00350 136 3PY -0.08114 0.00224 0.01569 -0.03079 -0.00071 137 3PZ 0.01498 -0.00261 -0.01152 0.02332 0.01778 138 4XX 0.00067 -0.00075 0.00026 -0.00132 0.00099 139 4YY -0.00097 -0.00027 0.00099 -0.00154 0.00057 140 4ZZ 0.00266 0.00118 -0.00154 0.00177 -0.00136 141 4XY -0.00387 -0.00202 -0.00472 0.00447 -0.00013 142 4XZ -0.00166 -0.00031 -0.00170 0.00133 -0.00159 143 4YZ -0.00029 -0.00077 -0.00302 0.00274 0.00034 144 14 C 1S -0.01477 0.00215 -0.00039 0.00230 -0.00674 145 2S 0.02924 -0.00586 0.00138 -0.00697 0.01675 146 2PX 0.13425 0.00300 0.00037 0.02087 0.01506 147 2PY -0.13765 -0.02228 -0.00398 -0.07838 -0.01067 148 2PZ -0.12417 -0.02893 -0.04407 0.05819 0.00250 149 3S 0.05236 -0.00453 -0.00174 -0.00108 0.00727 150 3PX 0.04100 -0.00035 0.00067 0.00884 0.01273 151 3PY -0.04201 -0.00791 -0.00362 -0.02246 -0.00938 152 3PZ -0.03958 -0.01565 -0.02107 0.02658 0.00252 153 4XX -0.00030 0.00121 0.00219 -0.00253 -0.00060 154 4YY 0.00216 -0.00056 0.00034 -0.00157 0.00006 155 4ZZ 0.00106 -0.00053 -0.00210 0.00436 0.00092 156 4XY 0.00331 -0.00025 -0.00090 0.00237 -0.00136 157 4XZ -0.00094 0.00064 0.00034 -0.00164 -0.00137 158 4YZ -0.00184 -0.00060 -0.00100 0.00072 0.00018 159 15 C 1S -0.01477 0.00215 -0.00039 0.00230 0.00674 160 2S 0.02924 -0.00586 0.00138 -0.00697 -0.01675 161 2PX 0.13425 0.00300 0.00037 0.02087 -0.01506 162 2PY 0.13765 0.02228 0.00398 0.07838 -0.01067 163 2PZ -0.12417 -0.02893 -0.04407 0.05819 -0.00250 164 3S 0.05236 -0.00453 -0.00174 -0.00108 -0.00727 165 3PX 0.04100 -0.00035 0.00067 0.00884 -0.01274 166 3PY 0.04201 0.00791 0.00362 0.02246 -0.00937 167 3PZ -0.03958 -0.01565 -0.02107 0.02658 -0.00252 168 4XX -0.00030 0.00121 0.00219 -0.00253 0.00060 169 4YY 0.00216 -0.00056 0.00034 -0.00157 -0.00006 170 4ZZ 0.00106 -0.00053 -0.00210 0.00436 -0.00092 171 4XY -0.00331 0.00025 0.00090 -0.00237 -0.00136 172 4XZ -0.00094 0.00064 0.00034 -0.00164 0.00137 173 4YZ 0.00184 0.00060 0.00100 -0.00072 0.00018 174 16 C 1S -0.01540 -0.00161 -0.00540 -0.00399 0.00211 175 2S 0.03194 0.00136 0.01047 0.01124 -0.00551 176 2PX -0.04957 -0.01942 -0.05774 0.10936 -0.01327 177 2PY 0.20979 0.01431 0.00242 0.05501 0.00205 178 2PZ 0.03121 -0.00946 -0.02463 0.04460 -0.02429 179 3S 0.04653 0.01827 0.02058 -0.00487 -0.01008 180 3PX -0.01420 -0.00168 -0.01973 0.05169 -0.00349 181 3PY 0.08114 -0.00224 -0.01569 0.03079 -0.00071 182 3PZ 0.01498 -0.00261 -0.01152 0.02332 -0.01778 183 4XX 0.00067 -0.00076 0.00026 -0.00132 -0.00099 184 4YY -0.00097 -0.00027 0.00099 -0.00154 -0.00057 185 4ZZ 0.00266 0.00118 -0.00154 0.00177 0.00136 186 4XY 0.00387 0.00202 0.00472 -0.00447 -0.00013 187 4XZ -0.00166 -0.00031 -0.00170 0.00133 0.00159 188 4YZ 0.00029 0.00077 0.00302 -0.00274 0.00034 189 17 H 1S 0.12117 0.00828 0.00809 0.02529 0.00327 190 2S 0.06485 0.00030 0.01573 0.01244 -0.00436 191 18 H 1S 0.12797 0.01430 0.01535 0.01114 0.01565 192 2S 0.07978 0.00930 0.00780 0.01067 0.00748 193 19 H 1S 0.12797 0.01430 0.01535 0.01114 -0.01565 194 2S 0.07978 0.00930 0.00780 0.01067 -0.00748 195 20 H 1S 0.12117 0.00828 0.00809 0.02528 -0.00327 196 2S 0.06485 0.00030 0.01573 0.01244 0.00436 197 21 C 1S -0.01110 -0.00229 0.00739 -0.00079 0.00000 198 2S 0.02235 0.00533 -0.01446 -0.00068 0.00000 199 2PX -0.10956 -0.03713 -0.14246 0.21923 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 -0.02049 201 2PZ 0.13997 0.00221 -0.08114 0.14622 0.00000 202 3S 0.03670 -0.00307 -0.03230 0.02134 0.00000 203 3PX -0.04822 -0.02949 -0.08028 0.10812 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 -0.00352 205 3PZ 0.04707 0.00432 -0.03503 0.06184 0.00000 206 4XX 0.00475 0.00007 -0.00013 0.00024 0.00000 207 4YY 0.00414 -0.00009 0.00110 0.00021 0.00000 208 4ZZ -0.00545 -0.00050 -0.00239 0.00277 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 -0.00067 210 4XZ 0.00617 0.00006 -0.00447 0.00991 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00021 212 22 H 1S 0.08618 0.01988 0.05858 -0.09428 0.00000 213 2S 0.04916 0.00631 0.03608 -0.06936 0.00000 214 23 H 1S 0.03583 -0.00902 -0.09276 0.14745 0.00000 215 2S 0.02937 -0.00296 -0.05633 0.10182 0.00000 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 0.01370 -0.00379 -0.00356 -0.00306 -0.00391 2 2S -0.02999 0.00696 0.00640 0.00771 0.01377 3 2PX -0.14415 0.09382 -0.04522 0.11235 0.01895 4 2PY 0.12931 -0.01107 0.00793 0.00438 -0.15715 5 2PZ 0.11729 -0.05661 0.05637 0.09553 0.03198 6 3S -0.06543 0.06952 0.00544 0.01212 -0.00981 7 3PX -0.05521 0.06298 -0.02157 0.05837 -0.01140 8 3PY 0.01354 -0.04482 -0.00226 0.00635 -0.03732 9 3PZ 0.04524 -0.03622 0.03089 0.05388 0.03255 10 4XX 0.00679 0.00301 0.00123 0.00413 -0.00380 11 4YY -0.00360 -0.00534 0.00096 0.00065 0.00574 12 4ZZ 0.00285 0.00005 -0.00166 -0.00489 -0.00400 13 4XY -0.00253 0.00572 -0.00340 -0.00100 0.00165 14 4XZ -0.00519 -0.00145 0.00022 0.00176 0.00491 15 4YZ 0.00221 -0.00278 0.00499 -0.00216 -0.00214 16 2 H 1S 0.12355 -0.05757 0.04642 -0.01305 -0.05184 17 2S 0.11015 -0.02656 0.03464 -0.01004 -0.06607 18 3 C 1S 0.01370 0.00379 0.00356 -0.00306 -0.00391 19 2S -0.02999 -0.00696 -0.00639 0.00771 0.01377 20 2PX -0.14416 -0.09382 0.04523 0.11235 0.01895 21 2PY -0.12931 -0.01106 0.00793 -0.00439 0.15715 22 2PZ 0.11728 0.05660 -0.05637 0.09554 0.03199 23 3S -0.06543 -0.06952 -0.00544 0.01212 -0.00981 24 3PX -0.05521 -0.06298 0.02158 0.05836 -0.01140 25 3PY -0.01353 -0.04482 -0.00226 -0.00635 0.03732 26 3PZ 0.04524 0.03622 -0.03088 0.05388 0.03255 27 4XX 0.00679 -0.00301 -0.00123 0.00413 -0.00380 28 4YY -0.00360 0.00534 -0.00096 0.00065 0.00574 29 4ZZ 0.00285 -0.00005 0.00166 -0.00489 -0.00400 30 4XY 0.00253 0.00572 -0.00340 0.00100 -0.00165 31 4XZ -0.00519 0.00145 -0.00022 0.00176 0.00491 32 4YZ -0.00221 -0.00278 0.00499 0.00216 0.00214 33 4 H 1S 0.12355 0.05757 -0.04642 -0.01305 -0.05184 34 2S 0.11014 0.02656 -0.03465 -0.01004 -0.06606 35 5 C 1S 0.00450 -0.00231 -0.00366 0.00069 -0.00773 36 2S -0.01058 0.00860 0.00955 -0.00101 0.02084 37 2PX 0.09790 -0.04582 -0.07960 0.10650 0.02514 38 2PY 0.04349 -0.25687 0.07255 0.00179 -0.17247 39 2PZ -0.03755 -0.04663 -0.03929 0.17920 0.04293 40 3S -0.01545 -0.01517 0.00914 -0.00564 -0.00086 41 3PX -0.00932 -0.01089 -0.03185 0.06260 0.02155 42 3PY 0.00301 0.00137 0.01293 -0.00263 0.02263 43 3PZ 0.01848 -0.01743 -0.03537 0.09219 0.02849 44 4XX 0.00156 -0.00586 0.00126 -0.00172 -0.00899 45 4YY 0.00055 0.00081 -0.00092 0.00048 0.01025 46 4ZZ -0.00039 -0.00445 0.00138 0.00264 -0.00732 47 4XY 0.00833 0.00159 0.00335 -0.00540 0.00041 48 4XZ 0.00008 0.00090 -0.00034 -0.00299 0.00416 49 4YZ -0.00645 0.00129 0.00321 -0.00497 -0.00075 50 6 C 1S -0.02008 0.00275 -0.00527 -0.00689 -0.00740 51 2S 0.04316 -0.00561 0.00646 0.01490 0.01966 52 2PX -0.14855 0.08178 -0.00935 0.05967 0.04894 53 2PY 0.14497 -0.01266 0.00451 -0.03252 0.15250 54 2PZ 0.15830 -0.09165 -0.01676 0.01231 0.05295 55 3S 0.08719 -0.05791 0.05285 0.01802 0.00447 56 3PX -0.07047 0.05029 0.00353 0.03399 0.04419 57 3PY 0.02431 -0.03923 0.03348 -0.01510 0.04129 58 3PZ 0.06548 -0.05800 -0.00856 0.00619 0.01196 59 4XX -0.00264 -0.00306 0.00283 -0.00477 -0.00534 60 4YY 0.00406 0.00436 -0.00280 0.00051 0.00628 61 4ZZ -0.00892 0.00059 -0.00123 0.00383 -0.00306 62 4XY 0.00050 -0.00326 0.00058 -0.00068 0.00268 63 4XZ 0.00215 0.00235 -0.00018 -0.00544 0.00369 64 4YZ -0.00249 0.00616 0.00315 -0.00091 -0.00085 65 7 H 1S -0.13257 0.06554 0.00852 0.02969 -0.05390 66 2S -0.10975 0.03442 0.00541 0.02059 -0.06105 67 8 C 1S -0.02008 -0.00275 0.00527 -0.00689 -0.00740 68 2S 0.04316 0.00561 -0.00646 0.01490 0.01966 69 2PX -0.14856 -0.08178 0.00936 0.05967 0.04894 70 2PY -0.14497 -0.01266 0.00451 0.03251 -0.15250 71 2PZ 0.15830 0.09165 0.01676 0.01231 0.05295 72 3S 0.08719 0.05791 -0.05285 0.01803 0.00448 73 3PX -0.07047 -0.05029 -0.00352 0.03399 0.04419 74 3PY -0.02431 -0.03923 0.03348 0.01509 -0.04129 75 3PZ 0.06548 0.05800 0.00856 0.00619 0.01196 76 4XX -0.00264 0.00306 -0.00283 -0.00477 -0.00534 77 4YY 0.00406 -0.00436 0.00280 0.00051 0.00628 78 4ZZ -0.00892 -0.00059 0.00123 0.00383 -0.00305 79 4XY -0.00050 -0.00326 0.00058 0.00068 -0.00268 80 4XZ 0.00215 -0.00235 0.00018 -0.00544 0.00369 81 4YZ 0.00249 0.00616 0.00315 0.00091 0.00085 82 9 H 1S -0.13257 -0.06554 -0.00852 0.02970 -0.05390 83 2S -0.10975 -0.03442 -0.00541 0.02059 -0.06105 84 10 C 1S 0.00451 0.00231 0.00366 0.00069 -0.00773 85 2S -0.01058 -0.00860 -0.00955 -0.00101 0.02084 86 2PX 0.09790 0.04581 0.07961 0.10649 0.02514 87 2PY -0.04349 -0.25687 0.07255 -0.00180 0.17247 88 2PZ -0.03755 0.04663 0.03931 0.17920 0.04293 89 3S -0.01545 0.01517 -0.00914 -0.00564 -0.00086 90 3PX -0.00932 0.01089 0.03186 0.06259 0.02154 91 3PY -0.00300 0.00137 0.01293 0.00263 -0.02263 92 3PZ 0.01848 0.01743 0.03538 0.09219 0.02849 93 4XX 0.00156 0.00586 -0.00126 -0.00172 -0.00899 94 4YY 0.00055 -0.00081 0.00092 0.00048 0.01025 95 4ZZ -0.00039 0.00445 -0.00138 0.00264 -0.00732 96 4XY -0.00833 0.00159 0.00335 0.00540 -0.00041 97 4XZ 0.00008 -0.00090 0.00034 -0.00299 0.00416 98 4YZ 0.00645 0.00129 0.00321 0.00497 0.00075 99 11 O 1S -0.01271 0.05104 -0.01170 -0.00398 0.02694 100 2S 0.02583 -0.10843 0.02446 0.00530 -0.05639 101 2PX 0.02246 0.00453 -0.09524 0.11804 0.05882 102 2PY -0.06720 0.32219 -0.05463 -0.05363 0.22688 103 2PZ -0.00217 -0.00685 -0.06147 0.17439 0.07143 104 3S 0.05514 -0.19917 0.04968 0.02769 -0.09549 105 3PX 0.01611 0.00121 -0.05868 0.07221 0.03502 106 3PY -0.03418 0.17923 -0.02722 -0.02737 0.13312 107 3PZ -0.00251 -0.00510 -0.03731 0.10559 0.04276 108 4XX 0.00019 -0.00118 -0.00156 0.00024 -0.00165 109 4YY -0.00532 0.02122 -0.00264 -0.00552 0.01291 110 4ZZ -0.00044 -0.00164 -0.00056 0.00093 -0.00124 111 4XY 0.00316 0.00077 -0.00643 0.00797 0.00445 112 4XZ 0.00030 -0.00109 -0.00092 0.00166 0.00106 113 4YZ -0.00138 -0.00006 -0.00414 0.01233 0.00517 114 12 O 1S -0.01271 -0.05104 0.01170 -0.00398 0.02694 115 2S 0.02583 0.10843 -0.02446 0.00530 -0.05639 116 2PX 0.02247 -0.00452 0.09525 0.11804 0.05881 117 2PY 0.06721 0.32219 -0.05463 0.05363 -0.22688 118 2PZ -0.00217 0.00685 0.06148 0.17439 0.07143 119 3S 0.05514 0.19917 -0.04968 0.02769 -0.09549 120 3PX 0.01611 -0.00121 0.05868 0.07221 0.03502 121 3PY 0.03418 0.17923 -0.02722 0.02737 -0.13312 122 3PZ -0.00251 0.00510 0.03732 0.10559 0.04276 123 4XX 0.00019 0.00118 0.00156 0.00024 -0.00165 124 4YY -0.00532 -0.02122 0.00264 -0.00552 0.01291 125 4ZZ -0.00044 0.00164 0.00057 0.00093 -0.00124 126 4XY -0.00316 0.00077 -0.00643 -0.00797 -0.00445 127 4XZ 0.00030 0.00109 0.00092 0.00166 0.00106 128 4YZ 0.00138 -0.00006 -0.00414 -0.01233 -0.00517 129 13 C 1S -0.00072 -0.00777 -0.02816 0.01594 0.00199 130 2S 0.00333 0.01612 0.06584 -0.03382 -0.00184 131 2PX 0.03353 0.02924 0.13593 0.06401 0.03568 132 2PY -0.01808 0.02763 0.21806 -0.06776 0.08006 133 2PZ 0.04605 -0.02790 -0.08077 -0.03467 -0.01790 134 3S -0.00953 0.03793 0.10648 -0.06615 -0.01883 135 3PX 0.01745 0.01626 0.06133 0.00921 0.02126 136 3PY -0.00778 0.00473 0.07980 -0.02831 0.01921 137 3PZ 0.02565 -0.00771 -0.02466 -0.00191 -0.01153 138 4XX 0.00117 -0.00041 0.00349 0.00322 0.00142 139 4YY 0.00052 -0.00183 -0.01374 -0.00302 -0.00518 140 4ZZ -0.00241 0.00052 0.00162 0.00357 0.00174 141 4XY 0.00177 0.00080 0.00194 0.00742 -0.00499 142 4XZ 0.00170 -0.00023 -0.00370 0.00298 0.00104 143 4YZ 0.00140 -0.00020 0.00273 -0.00366 0.00548 144 14 C 1S -0.00222 0.00273 -0.00960 -0.00959 0.01083 145 2S 0.00577 -0.00440 0.02804 0.02076 -0.02590 146 2PX 0.05100 -0.04847 -0.17799 -0.04652 0.01781 147 2PY -0.01150 0.01043 0.02254 0.09105 -0.20097 148 2PZ 0.03494 0.03604 0.15537 0.06305 -0.02323 149 3S 0.00526 -0.01319 0.00324 0.04659 -0.03005 150 3PX 0.02587 -0.01315 -0.03337 -0.01970 0.00484 151 3PY -0.00372 0.00571 0.01239 0.02238 -0.06555 152 3PZ 0.02158 0.00296 0.02965 0.02887 -0.00565 153 4XX -0.00223 0.00087 0.00298 -0.00410 0.00549 154 4YY 0.00065 -0.00174 -0.00995 0.00229 -0.00561 155 4ZZ 0.00226 -0.00030 0.00047 -0.00252 0.00506 156 4XY 0.00133 0.00343 0.01059 0.00299 -0.00309 157 4XZ -0.00190 0.00067 -0.00117 0.00424 -0.00524 158 4YZ 0.00131 -0.00269 -0.00969 -0.00193 0.00306 159 15 C 1S -0.00222 -0.00273 0.00960 -0.00959 0.01083 160 2S 0.00577 0.00440 -0.02803 0.02076 -0.02590 161 2PX 0.05100 0.04847 0.17799 -0.04653 0.01782 162 2PY 0.01150 0.01042 0.02252 -0.09105 0.20098 163 2PZ 0.03494 -0.03605 -0.15537 0.06306 -0.02323 164 3S 0.00526 0.01318 -0.00324 0.04659 -0.03005 165 3PX 0.02587 0.01315 0.03337 -0.01971 0.00484 166 3PY 0.00373 0.00571 0.01239 -0.02238 0.06555 167 3PZ 0.02158 -0.00296 -0.02965 0.02887 -0.00565 168 4XX -0.00223 -0.00087 -0.00298 -0.00410 0.00549 169 4YY 0.00065 0.00174 0.00995 0.00229 -0.00561 170 4ZZ 0.00226 0.00030 -0.00047 -0.00252 0.00506 171 4XY -0.00133 0.00343 0.01059 -0.00299 0.00309 172 4XZ -0.00190 -0.00067 0.00117 0.00424 -0.00524 173 4YZ -0.00131 -0.00269 -0.00969 0.00193 -0.00306 174 16 C 1S -0.00072 0.00777 0.02816 0.01594 0.00199 175 2S 0.00333 -0.01612 -0.06584 -0.03382 -0.00184 176 2PX 0.03353 -0.02925 -0.13593 0.06402 0.03568 177 2PY 0.01807 0.02763 0.21807 0.06775 -0.08006 178 2PZ 0.04605 0.02791 0.08077 -0.03468 -0.01789 179 3S -0.00953 -0.03793 -0.10649 -0.06614 -0.01883 180 3PX 0.01745 -0.01626 -0.06133 0.00921 0.02126 181 3PY 0.00778 0.00473 0.07980 0.02830 -0.01921 182 3PZ 0.02565 0.00771 0.02466 -0.00191 -0.01153 183 4XX 0.00117 0.00041 -0.00349 0.00322 0.00142 184 4YY 0.00052 0.00184 0.01374 -0.00302 -0.00518 185 4ZZ -0.00241 -0.00052 -0.00162 0.00357 0.00174 186 4XY -0.00177 0.00080 0.00194 -0.00742 0.00499 187 4XZ 0.00170 0.00023 0.00370 0.00298 0.00104 188 4YZ -0.00140 -0.00020 0.00273 0.00366 -0.00548 189 17 H 1S 0.01390 -0.01586 -0.13248 0.01572 -0.06304 190 2S 0.01402 -0.02909 -0.12913 0.02990 -0.05794 191 18 H 1S 0.01257 -0.03987 -0.12749 -0.06747 0.08309 192 2S 0.00861 -0.03552 -0.12829 -0.06588 0.08138 193 19 H 1S 0.01257 0.03987 0.12748 -0.06747 0.08309 194 2S 0.00861 0.03552 0.12829 -0.06589 0.08139 195 20 H 1S 0.01389 0.01586 0.13249 0.01571 -0.06304 196 2S 0.01402 0.02909 0.12914 0.02989 -0.05794 197 21 C 1S 0.00825 0.00000 0.00000 0.02008 -0.00871 198 2S -0.02020 0.00000 0.00000 -0.04641 0.01563 199 2PX 0.11685 0.00000 0.00001 0.07935 0.11687 200 2PY 0.00000 0.00510 -0.07117 0.00000 0.00000 201 2PZ 0.01890 0.00000 0.00001 0.20671 -0.04147 202 3S -0.01545 0.00000 0.00000 -0.07362 0.05355 203 3PX 0.05162 0.00000 0.00000 0.06759 0.04861 204 3PY 0.00000 0.01206 -0.01062 0.00000 0.00000 205 3PZ -0.00461 0.00000 0.00000 0.08121 -0.04052 206 4XX -0.00236 0.00000 0.00000 0.00622 -0.00487 207 4YY 0.00150 0.00000 0.00000 -0.00529 -0.00183 208 4ZZ 0.00025 0.00000 0.00000 0.00396 0.00368 209 4XY 0.00000 -0.00164 -0.00808 0.00000 0.00000 210 4XZ 0.00532 0.00000 0.00000 0.00833 0.00465 211 4YZ 0.00000 0.00075 0.00763 0.00000 0.00000 212 22 H 1S -0.07183 0.00000 0.00000 -0.00808 -0.06917 213 2S -0.05099 0.00000 0.00000 0.04040 -0.06093 214 23 H 1S 0.04581 0.00000 0.00001 0.12191 0.03556 215 2S 0.04286 0.00000 0.00000 0.10898 0.03570 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 -0.00412 0.00430 -0.00516 -0.01327 0.00737 2 2S 0.01208 -0.00970 0.00958 0.02126 -0.01426 3 2PX -0.00177 -0.05222 -0.04312 -0.12776 0.04880 4 2PY -0.08357 -0.07064 0.00623 0.00852 -0.00378 5 2PZ -0.02459 -0.00118 0.09494 0.06778 -0.02432 6 3S 0.00461 -0.02647 0.00820 0.10256 -0.03977 7 3PX -0.01428 -0.03552 -0.01562 -0.05067 0.02693 8 3PY -0.01751 -0.02161 -0.00940 -0.06122 0.02495 9 3PZ -0.00824 0.00745 0.05745 0.02083 -0.00935 10 4XX -0.00381 -0.00325 0.00464 0.00073 -0.00085 11 4YY 0.00341 0.00163 0.00009 -0.00227 0.00165 12 4ZZ -0.00128 0.00080 -0.00381 0.00235 -0.00134 13 4XY 0.00171 0.00036 -0.00331 -0.01274 0.00516 14 4XZ 0.00227 0.00225 0.00005 -0.00381 0.00217 15 4YZ -0.00041 -0.00065 0.00918 0.00645 -0.00269 16 2 H 1S -0.03386 -0.00981 0.06326 0.10724 -0.04443 17 2S -0.04077 -0.01748 0.05319 0.09861 -0.03887 18 3 C 1S -0.00412 0.00430 0.00516 0.01327 -0.00737 19 2S 0.01208 -0.00970 -0.00958 -0.02126 0.01426 20 2PX -0.00177 -0.05221 0.04314 0.12776 -0.04880 21 2PY 0.08357 0.07065 0.00620 0.00852 -0.00378 22 2PZ -0.02460 -0.00121 -0.09494 -0.06777 0.02432 23 3S 0.00461 -0.02647 -0.00819 -0.10256 0.03977 24 3PX -0.01427 -0.03551 0.01563 0.05067 -0.02693 25 3PY 0.01751 0.02161 -0.00941 -0.06122 0.02495 26 3PZ -0.00825 0.00743 -0.05745 -0.02083 0.00935 27 4XX -0.00381 -0.00325 -0.00464 -0.00074 0.00085 28 4YY 0.00341 0.00163 -0.00009 0.00227 -0.00165 29 4ZZ -0.00128 0.00080 0.00381 -0.00235 0.00134 30 4XY -0.00171 -0.00036 -0.00331 -0.01274 0.00516 31 4XZ 0.00227 0.00225 -0.00005 0.00381 -0.00217 32 4YZ 0.00041 0.00065 0.00918 0.00645 -0.00269 33 4 H 1S -0.03386 -0.00983 -0.06325 -0.10724 0.04444 34 2S -0.04077 -0.01749 -0.05318 -0.09861 0.03888 35 5 C 1S -0.00033 -0.00190 -0.00078 0.00108 -0.00619 36 2S -0.00074 0.00272 0.00298 -0.00454 0.01427 37 2PX -0.03019 -0.03658 -0.20801 -0.08523 0.05426 38 2PY -0.08854 -0.09281 0.04281 -0.01097 0.02812 39 2PZ 0.00809 -0.07713 -0.11705 0.19902 -0.08968 40 3S 0.00371 0.00327 -0.00630 0.01497 0.03036 41 3PX 0.00480 -0.02267 -0.08772 0.00263 0.01131 42 3PY 0.00424 0.02458 -0.00403 0.01335 0.01633 43 3PZ 0.00363 -0.03112 -0.08195 0.07488 -0.03846 44 4XX -0.00377 -0.00567 0.00153 -0.00011 0.00032 45 4YY 0.00496 0.00598 -0.00262 0.00121 0.00019 46 4ZZ -0.00436 -0.00460 0.00165 -0.00046 -0.00043 47 4XY -0.00043 0.00478 0.00682 -0.00170 -0.00084 48 4XZ 0.00270 0.00437 0.00102 -0.00142 0.00037 49 4YZ -0.00059 0.00159 0.00866 -0.00769 0.00361 50 6 C 1S -0.00471 -0.00377 -0.00346 -0.01253 0.01469 51 2S 0.01403 0.01247 0.00363 0.02424 -0.02265 52 2PX 0.02733 -0.04078 0.01430 0.12012 -0.07599 53 2PY 0.09190 0.14865 0.00192 -0.00840 0.01159 54 2PZ -0.01497 0.01849 -0.09999 -0.07648 0.06373 55 3S -0.00575 0.00155 0.03817 0.03492 -0.09522 56 3PX 0.01689 -0.00706 -0.01021 0.07780 -0.02414 57 3PY 0.02959 0.04096 0.03066 0.02277 -0.03366 58 3PZ -0.01886 -0.00913 -0.03193 -0.03945 0.00953 59 4XX -0.00409 -0.00077 0.00279 -0.00274 0.00326 60 4YY 0.00393 0.00502 -0.00166 -0.00192 0.00193 61 4ZZ -0.00070 -0.00672 -0.00108 0.00556 -0.00443 62 4XY 0.00009 0.00007 -0.00218 -0.01084 0.00553 63 4XZ 0.00225 0.00376 -0.00024 -0.00274 0.00135 64 4YZ -0.00094 -0.00131 0.00930 0.00619 -0.00598 65 7 H 1S -0.01359 -0.06533 0.05999 0.09678 -0.07603 66 2S -0.02451 -0.07017 0.06331 0.07598 -0.06864 67 8 C 1S -0.00471 -0.00377 0.00346 0.01253 -0.01469 68 2S 0.01403 0.01247 -0.00363 -0.02424 0.02265 69 2PX 0.02733 -0.04079 -0.01429 -0.12012 0.07599 70 2PY -0.09190 -0.14865 0.00197 -0.00840 0.01159 71 2PZ -0.01497 0.01853 0.09999 0.07648 -0.06373 72 3S -0.00575 0.00154 -0.03817 -0.03492 0.09522 73 3PX 0.01689 -0.00705 0.01021 -0.07780 0.02414 74 3PY -0.02959 -0.04095 0.03068 0.02277 -0.03366 75 3PZ -0.01885 -0.00913 0.03194 0.03945 -0.00953 76 4XX -0.00409 -0.00077 -0.00279 0.00274 -0.00326 77 4YY 0.00393 0.00502 0.00166 0.00192 -0.00193 78 4ZZ -0.00070 -0.00672 0.00108 -0.00556 0.00443 79 4XY -0.00009 -0.00007 -0.00218 -0.01084 0.00553 80 4XZ 0.00225 0.00376 0.00024 0.00274 -0.00135 81 4YZ 0.00094 0.00132 0.00930 0.00619 -0.00598 82 9 H 1S -0.01359 -0.06535 -0.05997 -0.09679 0.07603 83 2S -0.02452 -0.07019 -0.06329 -0.07599 0.06864 84 10 C 1S -0.00033 -0.00190 0.00078 -0.00108 0.00619 85 2S -0.00074 0.00272 -0.00298 0.00454 -0.01427 86 2PX -0.03017 -0.03651 0.20803 0.08523 -0.05426 87 2PY 0.08854 0.09282 0.04277 -0.01097 0.02812 88 2PZ 0.00810 -0.07709 0.11708 -0.19902 0.08968 89 3S 0.00371 0.00328 0.00630 -0.01497 -0.03036 90 3PX 0.00481 -0.02264 0.08773 -0.00263 -0.01131 91 3PY -0.00424 -0.02458 -0.00402 0.01335 0.01633 92 3PZ 0.00363 -0.03110 0.08196 -0.07487 0.03846 93 4XX -0.00377 -0.00568 -0.00153 0.00010 -0.00032 94 4YY 0.00496 0.00599 0.00262 -0.00121 -0.00019 95 4ZZ -0.00436 -0.00461 -0.00165 0.00046 0.00043 96 4XY 0.00044 -0.00478 0.00682 -0.00170 -0.00084 97 4XZ 0.00270 0.00437 -0.00102 0.00142 -0.00037 98 4YZ 0.00059 -0.00158 0.00866 -0.00769 0.00361 99 11 O 1S 0.01432 0.01440 -0.00137 0.00037 -0.00101 100 2S -0.02885 -0.03000 0.00486 -0.00248 0.00066 101 2PX 0.00285 -0.03264 -0.21609 -0.05119 0.05205 102 2PY 0.11640 0.14642 0.01174 -0.00880 -0.01361 103 2PZ 0.02496 -0.05884 -0.16059 0.21694 -0.10457 104 3S -0.05862 -0.04986 -0.00522 0.00744 0.00972 105 3PX 0.00039 -0.02006 -0.13496 -0.03054 0.03307 106 3PY 0.06475 0.08640 0.00502 -0.00476 -0.00725 107 3PZ 0.01580 -0.03624 -0.10065 0.13737 -0.06466 108 4XX -0.00024 -0.00157 -0.00131 -0.00098 0.00061 109 4YY 0.00683 0.00873 0.00307 -0.00184 -0.00119 110 4ZZ -0.00022 -0.00171 -0.00049 0.00146 -0.00127 111 4XY -0.00031 -0.00180 -0.01497 -0.00381 0.00313 112 4XZ 0.00060 -0.00008 -0.00200 0.00117 -0.00021 113 4YZ 0.00168 -0.00416 -0.01069 0.01464 -0.00681 114 12 O 1S 0.01432 0.01440 0.00137 -0.00037 0.00101 115 2S -0.02885 -0.03000 -0.00485 0.00248 -0.00066 116 2PX 0.00286 -0.03258 0.21610 0.05119 -0.05205 117 2PY -0.11640 -0.14642 0.01179 -0.00880 -0.01361 118 2PZ 0.02497 -0.05879 0.16061 -0.21694 0.10457 119 3S -0.05862 -0.04985 0.00524 -0.00744 -0.00972 120 3PX 0.00040 -0.02002 0.13497 0.03054 -0.03307 121 3PY -0.06475 -0.08640 0.00505 -0.00476 -0.00725 122 3PZ 0.01581 -0.03621 0.10066 -0.13737 0.06466 123 4XX -0.00024 -0.00157 0.00131 0.00098 -0.00061 124 4YY 0.00683 0.00873 -0.00308 0.00184 0.00119 125 4ZZ -0.00022 -0.00171 0.00049 -0.00146 0.00127 126 4XY 0.00031 0.00180 -0.01497 -0.00381 0.00313 127 4XZ 0.00060 -0.00008 0.00200 -0.00117 0.00021 128 4YZ -0.00168 0.00416 -0.01069 0.01464 -0.00681 129 13 C 1S -0.00922 0.00480 0.00447 0.00273 -0.00257 130 2S 0.01085 -0.01297 -0.01128 -0.00870 -0.00201 131 2PX -0.13819 0.08951 -0.04099 0.01878 0.11595 132 2PY -0.08442 -0.11474 -0.12579 -0.09484 -0.19341 133 2PZ 0.16833 -0.10289 0.05823 -0.11243 -0.16184 134 3S 0.07768 -0.00605 -0.00940 -0.00153 0.05800 135 3PX -0.04449 0.03130 0.01128 0.00326 0.05941 136 3PY -0.00246 -0.02230 -0.05117 -0.03035 -0.04332 137 3PZ 0.07269 -0.02622 0.01870 -0.05727 -0.07596 138 4XX -0.00754 0.00399 -0.00434 -0.00022 0.00009 139 4YY 0.01359 -0.00385 0.00862 0.00358 0.00830 140 4ZZ -0.00509 0.00079 -0.00091 -0.00144 -0.00777 141 4XY 0.00427 0.00477 -0.00041 0.00241 0.00544 142 4XZ 0.00578 -0.00562 0.00080 0.00181 0.00015 143 4YZ -0.00243 -0.00949 -0.00229 -0.00514 -0.01007 144 14 C 1S 0.00198 -0.02063 0.01116 0.00863 0.00894 145 2S -0.00108 0.04962 -0.02495 -0.01692 -0.00753 146 2PX 0.13350 -0.12193 0.07234 -0.06104 -0.10744 147 2PY 0.27877 0.08478 -0.00285 0.00607 -0.00240 148 2PZ -0.03769 0.08813 -0.05295 0.01553 0.08070 149 3S -0.02254 0.06026 -0.04831 -0.04389 -0.12356 150 3PX 0.06919 -0.04369 0.02321 -0.02425 -0.00232 151 3PY 0.10142 0.01392 -0.00407 -0.01216 -0.05005 152 3PZ -0.02060 0.02912 -0.02345 -0.00397 0.00310 153 4XX -0.00745 -0.00380 -0.00194 0.00109 -0.00027 154 4YY 0.00765 0.00372 0.00504 0.00115 0.00240 155 4ZZ -0.00143 -0.00665 0.00025 -0.00278 -0.00285 156 4XY 0.00315 0.00381 -0.00363 0.00617 0.01133 157 4XZ 0.00515 0.00528 0.00148 0.00323 0.00403 158 4YZ -0.00150 -0.00457 0.00262 -0.00285 -0.00900 159 15 C 1S 0.00198 -0.02063 -0.01115 -0.00863 -0.00894 160 2S -0.00107 0.04963 0.02494 0.01692 0.00753 161 2PX 0.13349 -0.12195 -0.07232 0.06104 0.10744 162 2PY -0.27877 -0.08478 -0.00280 0.00607 -0.00240 163 2PZ -0.03768 0.08814 0.05293 -0.01552 -0.08070 164 3S -0.02254 0.06027 0.04829 0.04389 0.12356 165 3PX 0.06918 -0.04369 -0.02320 0.02425 0.00232 166 3PY -0.10142 -0.01392 -0.00405 -0.01216 -0.05005 167 3PZ -0.02060 0.02912 0.02345 0.00397 -0.00310 168 4XX -0.00745 -0.00380 0.00194 -0.00109 0.00027 169 4YY 0.00765 0.00372 -0.00504 -0.00115 -0.00240 170 4ZZ -0.00143 -0.00665 -0.00025 0.00278 0.00285 171 4XY -0.00315 -0.00381 -0.00363 0.00617 0.01133 172 4XZ 0.00515 0.00528 -0.00148 -0.00323 -0.00403 173 4YZ 0.00150 0.00457 0.00262 -0.00285 -0.00900 174 16 C 1S -0.00922 0.00480 -0.00447 -0.00273 0.00257 175 2S 0.01085 -0.01297 0.01128 0.00870 0.00201 176 2PX -0.13819 0.08953 0.04097 -0.01878 -0.11595 177 2PY 0.08440 0.11471 -0.12584 -0.09484 -0.19341 178 2PZ 0.16833 -0.10291 -0.05821 0.11243 0.16184 179 3S 0.07769 -0.00605 0.00940 0.00153 -0.05800 180 3PX -0.04449 0.03129 -0.01129 -0.00326 -0.05941 181 3PY 0.00245 0.02229 -0.05118 -0.03035 -0.04332 182 3PZ 0.07269 -0.02622 -0.01870 0.05727 0.07595 183 4XX -0.00753 0.00400 0.00434 0.00022 -0.00009 184 4YY 0.01359 -0.00385 -0.00862 -0.00358 -0.00830 185 4ZZ -0.00509 0.00079 0.00091 0.00144 0.00777 186 4XY -0.00427 -0.00477 -0.00041 0.00241 0.00544 187 4XZ 0.00578 -0.00562 -0.00080 -0.00181 -0.00015 188 4YZ 0.00243 0.00949 -0.00229 -0.00514 -0.01007 189 17 H 1S 0.11137 0.03821 0.08531 0.04240 0.09674 190 2S 0.09829 0.03385 0.05940 0.04725 0.09825 191 18 H 1S -0.04767 -0.09441 0.03840 -0.04821 -0.09578 192 2S -0.04905 -0.10183 0.04085 -0.04563 -0.11135 193 19 H 1S -0.04767 -0.09443 -0.03837 0.04821 0.09578 194 2S -0.04906 -0.10184 -0.04081 0.04562 0.11135 195 20 H 1S 0.11135 0.03819 -0.08533 -0.04240 -0.09675 196 2S 0.09828 0.03383 -0.05942 -0.04725 -0.09825 197 21 C 1S 0.01190 0.01588 0.00000 0.00000 0.00000 198 2S -0.01829 -0.03813 0.00001 0.00000 0.00000 199 2PX 0.09807 -0.21480 0.00003 0.00000 0.00000 200 2PY 0.00000 0.00000 0.02922 0.17799 0.32842 201 2PZ -0.09380 0.23172 -0.00003 0.00000 0.00000 202 3S -0.08343 -0.08306 0.00002 0.00000 0.00000 203 3PX 0.03162 -0.10664 0.00002 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00135 0.08318 0.17473 205 3PZ -0.02242 0.11669 -0.00002 0.00000 0.00000 206 4XX -0.00943 0.01601 0.00000 0.00000 0.00000 207 4YY 0.01295 -0.00956 0.00000 0.00000 0.00000 208 4ZZ -0.00534 -0.00040 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00158 0.00476 0.00450 210 4XZ 0.00533 -0.00514 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 -0.00397 -0.00513 -0.01171 212 22 H 1S -0.10255 0.16998 -0.00002 0.00000 0.00000 213 2S -0.09309 0.14411 -0.00002 0.00000 0.00000 214 23 H 1S -0.02220 0.02047 0.00000 0.00000 0.00000 215 2S -0.01466 0.02542 0.00000 0.00000 0.00000 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 0.00149 -0.00126 -0.02467 -0.01620 -0.00579 2 2S -0.00502 0.00186 0.05213 0.03279 0.01322 3 2PX 0.06097 0.20298 0.08495 0.06557 -0.02640 4 2PY -0.00644 0.01328 0.03024 0.14137 0.01970 5 2PZ 0.08654 0.25865 -0.05947 -0.06102 -0.08578 6 3S -0.00166 0.01716 0.17526 0.11420 0.04007 7 3PX 0.03975 0.14217 0.04590 0.04286 -0.01923 8 3PY -0.00260 0.00899 -0.03229 0.06435 0.01425 9 3PZ 0.05521 0.18167 -0.02126 -0.03879 -0.05953 10 4XX 0.00049 0.00141 -0.00076 0.00188 0.00154 11 4YY 0.00006 -0.00037 -0.00238 -0.00376 0.00008 12 4ZZ -0.00068 -0.00041 -0.00035 0.00156 -0.00152 13 4XY -0.00226 -0.00956 0.00646 -0.00151 0.00165 14 4XZ 0.00137 0.00023 -0.00053 -0.00205 0.00103 15 4YZ -0.00308 -0.01268 -0.00368 0.00255 0.00197 16 2 H 1S -0.00382 0.00039 -0.03853 0.02169 -0.00483 17 2S -0.00291 -0.00253 -0.07254 -0.00570 -0.01360 18 3 C 1S 0.00149 -0.00126 0.02467 -0.01621 -0.00579 19 2S -0.00502 0.00186 -0.05211 0.03281 0.01322 20 2PX 0.06097 0.20297 -0.08493 0.06560 -0.02639 21 2PY 0.00644 -0.01328 0.03019 -0.14138 -0.01970 22 2PZ 0.08654 0.25865 0.05944 -0.06104 -0.08579 23 3S -0.00165 0.01716 -0.17521 0.11427 0.04009 24 3PX 0.03975 0.14217 -0.04588 0.04288 -0.01922 25 3PY 0.00260 -0.00900 -0.03231 -0.06434 -0.01425 26 3PZ 0.05521 0.18167 0.02124 -0.03880 -0.05953 27 4XX 0.00049 0.00141 0.00076 0.00188 0.00154 28 4YY 0.00006 -0.00037 0.00238 -0.00376 0.00008 29 4ZZ -0.00068 -0.00041 0.00035 0.00156 -0.00152 30 4XY 0.00226 0.00956 0.00646 0.00150 -0.00165 31 4XZ 0.00137 0.00023 0.00053 -0.00206 0.00103 32 4YZ 0.00308 0.01268 -0.00368 -0.00255 -0.00197 33 4 H 1S -0.00382 0.00039 0.03853 0.02167 -0.00483 34 2S -0.00291 -0.00253 0.07254 -0.00573 -0.01361 35 5 C 1S 0.00318 -0.00002 0.00346 0.00091 0.00289 36 2S -0.00752 0.00326 -0.00997 -0.00302 -0.00220 37 2PX 0.00748 -0.03055 0.05895 -0.05252 -0.00990 38 2PY -0.02021 0.00385 -0.01387 -0.00111 -0.00052 39 2PZ 0.02301 -0.03495 -0.04637 0.03388 0.02442 40 3S -0.01499 -0.00567 -0.01060 0.00294 -0.02758 41 3PX 0.00593 -0.02047 -0.00041 0.04549 0.00108 42 3PY -0.00848 -0.00628 -0.00782 0.00405 -0.02405 43 3PZ 0.02293 -0.03990 -0.00691 -0.03278 0.00343 44 4XX -0.00705 -0.00597 0.00681 -0.00476 0.01238 45 4YY 0.00204 -0.00205 -0.00225 0.00189 -0.00470 46 4ZZ 0.00528 0.00911 -0.00531 0.00272 -0.00542 47 4XY -0.00034 0.01204 0.02349 -0.02615 0.00189 48 4XZ -0.00199 -0.00028 0.00445 -0.00088 0.00304 49 4YZ -0.00295 0.01879 -0.00672 0.01587 0.01354 50 6 C 1S -0.00376 0.00171 -0.02202 0.01776 -0.01663 51 2S 0.01218 -0.00522 0.03694 -0.03350 0.02868 52 2PX -0.07545 0.01725 -0.00836 0.05848 0.23336 53 2PY 0.02551 0.00571 -0.01572 0.14459 -0.06183 54 2PZ -0.13453 0.01349 0.16650 -0.06613 0.17928 55 3S 0.00419 -0.00958 0.19024 -0.12729 0.09255 56 3PX -0.06372 0.01748 0.01695 0.03854 0.16103 57 3PY 0.00945 0.00717 0.04330 0.07395 -0.05134 58 3PZ -0.08007 0.02569 0.11864 -0.04696 0.14855 59 4XX -0.00481 0.00006 0.00249 -0.00125 -0.00582 60 4YY 0.00159 -0.00055 -0.00324 0.00460 0.00031 61 4ZZ 0.00309 0.00049 -0.00191 -0.00166 0.00260 62 4XY -0.00345 0.00173 0.00110 0.00068 0.00823 63 4XZ -0.00257 0.00017 0.00520 0.00153 -0.00221 64 4YZ -0.00159 0.00186 -0.01135 -0.00193 0.00808 65 7 H 1S 0.03793 -0.00391 -0.08173 -0.01822 0.01596 66 2S 0.02331 0.01345 -0.10516 0.01158 0.00397 67 8 C 1S -0.00376 0.00171 0.02202 0.01775 -0.01663 68 2S 0.01219 -0.00522 -0.03695 -0.03348 0.02868 69 2PX -0.07545 0.01725 0.00840 0.05848 0.23336 70 2PY -0.02551 -0.00571 -0.01577 -0.14459 0.06183 71 2PZ -0.13453 0.01349 -0.16651 -0.06607 0.17929 72 3S 0.00419 -0.00959 -0.19027 -0.12722 0.09257 73 3PX -0.06372 0.01748 -0.01692 0.03855 0.16103 74 3PY -0.00945 -0.00717 0.04328 -0.07397 0.05133 75 3PZ -0.08007 0.02568 -0.11865 -0.04692 0.14856 76 4XX -0.00481 0.00006 -0.00249 -0.00125 -0.00582 77 4YY 0.00159 -0.00055 0.00324 0.00460 0.00031 78 4ZZ 0.00309 0.00049 0.00191 -0.00167 0.00260 79 4XY 0.00345 -0.00173 0.00110 -0.00068 -0.00823 80 4XZ -0.00257 0.00017 -0.00520 0.00154 -0.00221 81 4YZ 0.00159 -0.00186 -0.01135 0.00194 -0.00808 82 9 H 1S 0.03793 -0.00391 0.08172 -0.01825 0.01596 83 2S 0.02331 0.01345 0.10516 0.01154 0.00396 84 10 C 1S 0.00318 -0.00002 -0.00346 0.00091 0.00289 85 2S -0.00752 0.00325 0.00997 -0.00302 -0.00220 86 2PX 0.00748 -0.03055 -0.05897 -0.05250 -0.00989 87 2PY 0.02021 -0.00385 -0.01387 0.00111 0.00052 88 2PZ 0.02301 -0.03495 0.04638 0.03387 0.02441 89 3S -0.01499 -0.00567 0.01060 0.00293 -0.02758 90 3PX 0.00593 -0.02047 0.00042 0.04549 0.00108 91 3PY 0.00848 0.00628 -0.00782 -0.00405 0.02405 92 3PZ 0.02293 -0.03990 0.00690 -0.03279 0.00343 93 4XX -0.00705 -0.00597 -0.00681 -0.00476 0.01238 94 4YY 0.00204 -0.00205 0.00225 0.00189 -0.00470 95 4ZZ 0.00528 0.00911 0.00531 0.00271 -0.00542 96 4XY 0.00034 -0.01204 0.02350 0.02614 -0.00189 97 4XZ -0.00199 -0.00028 -0.00445 -0.00087 0.00304 98 4YZ 0.00295 -0.01879 -0.00673 -0.01586 -0.01354 99 11 O 1S 0.00079 -0.00005 -0.00015 0.00007 0.00089 100 2S -0.00008 0.00233 0.00162 -0.00100 -0.00097 101 2PX 0.02115 -0.13855 -0.28100 0.36090 -0.04744 102 2PY 0.01200 0.03451 0.02932 -0.01507 -0.00191 103 2PZ 0.05081 -0.22520 0.06644 -0.22533 -0.13314 104 3S -0.00767 -0.00809 -0.00409 0.00331 -0.01281 105 3PX 0.01301 -0.09986 -0.20405 0.25759 -0.03767 106 3PY 0.00581 0.02215 0.01937 -0.01011 -0.00227 107 3PZ 0.03192 -0.15989 0.04764 -0.15897 -0.10230 108 4XX -0.00029 -0.00124 -0.00068 0.00176 0.00143 109 4YY 0.00058 0.00303 0.00203 -0.00121 0.00077 110 4ZZ 0.00133 -0.00009 -0.00017 -0.00134 -0.00090 111 4XY 0.00123 -0.00684 -0.00981 0.01260 -0.00255 112 4XZ 0.00018 -0.00183 -0.00025 0.00026 -0.00081 113 4YZ 0.00270 -0.01074 0.00133 -0.00776 -0.00515 114 12 O 1S 0.00079 -0.00005 0.00015 0.00007 0.00089 115 2S -0.00008 0.00233 -0.00162 -0.00100 -0.00097 116 2PX 0.02115 -0.13855 0.28113 0.36080 -0.04748 117 2PY -0.01200 -0.03451 0.02932 0.01504 0.00191 118 2PZ 0.05081 -0.22520 -0.06654 -0.22531 -0.13312 119 3S -0.00766 -0.00809 0.00410 0.00331 -0.01281 120 3PX 0.01301 -0.09986 0.20414 0.25752 -0.03769 121 3PY -0.00581 -0.02215 0.01937 0.01010 0.00227 122 3PZ 0.03192 -0.15989 -0.04771 -0.15896 -0.10229 123 4XX -0.00029 -0.00124 0.00068 0.00176 0.00143 124 4YY 0.00058 0.00303 -0.00203 -0.00121 0.00077 125 4ZZ 0.00133 -0.00009 0.00016 -0.00134 -0.00090 126 4XY -0.00123 0.00684 -0.00981 -0.01260 0.00255 127 4XZ 0.00018 -0.00183 0.00025 0.00027 -0.00081 128 4YZ -0.00270 0.01074 0.00134 0.00776 0.00515 129 13 C 1S -0.00224 -0.00310 -0.01208 -0.00010 0.01469 130 2S 0.01421 0.00728 0.02581 0.00118 -0.03278 131 2PX 0.10494 -0.02257 -0.16669 0.00661 0.01495 132 2PY 0.02170 -0.00794 0.03033 0.00403 -0.01722 133 2PZ 0.10358 0.00533 -0.14453 0.01382 -0.01561 134 3S -0.04558 0.01530 0.05106 -0.00918 -0.07308 135 3PX 0.05190 0.00341 -0.14302 0.00764 0.01331 136 3PY -0.02446 -0.01533 -0.01447 0.01607 -0.04168 137 3PZ 0.06368 0.00979 -0.08556 -0.00231 -0.00975 138 4XX 0.00929 -0.00292 -0.00178 -0.00191 0.01477 139 4YY -0.00009 0.00170 -0.00177 0.00109 -0.00687 140 4ZZ -0.01133 0.00192 0.00317 0.00013 -0.00263 141 4XY -0.00003 0.00053 -0.00161 -0.00035 0.00042 142 4XZ -0.00332 0.00154 0.00062 -0.00140 0.00968 143 4YZ 0.00397 -0.00065 -0.00034 -0.00028 0.00033 144 14 C 1S -0.00620 0.00380 0.00257 0.00143 -0.00152 145 2S 0.01259 -0.00786 -0.00830 -0.00214 -0.00386 146 2PX 0.13627 -0.01019 -0.05243 -0.01117 0.16238 147 2PY -0.05207 0.01510 0.00851 -0.00320 -0.01330 148 2PZ 0.20496 -0.04186 -0.09455 -0.01609 0.19272 149 3S 0.03474 -0.01758 0.04075 -0.01396 0.03320 150 3PX 0.07965 -0.01086 -0.06271 -0.00526 0.11111 151 3PY -0.02173 0.01153 0.01859 0.00096 -0.00665 152 3PZ 0.13247 -0.03007 -0.04920 -0.01311 0.14648 153 4XX -0.00499 0.00089 0.00716 -0.00023 -0.00036 154 4YY -0.00055 0.00010 -0.00064 -0.00006 -0.00136 155 4ZZ 0.00521 -0.00007 -0.00524 0.00073 -0.00062 156 4XY 0.00458 -0.00084 0.00270 -0.00108 0.00738 157 4XZ -0.00450 0.00063 0.00082 0.00001 0.00263 158 4YZ 0.00671 -0.00098 0.00649 -0.00074 0.00699 159 15 C 1S -0.00620 0.00380 -0.00257 0.00143 -0.00152 160 2S 0.01259 -0.00786 0.00830 -0.00215 -0.00386 161 2PX 0.13627 -0.01019 0.05244 -0.01119 0.16238 162 2PY 0.05207 -0.01510 0.00851 0.00320 0.01330 163 2PZ 0.20496 -0.04186 0.09456 -0.01612 0.19272 164 3S 0.03473 -0.01758 -0.04076 -0.01395 0.03320 165 3PX 0.07965 -0.01086 0.06271 -0.00528 0.11111 166 3PY 0.02174 -0.01153 0.01859 -0.00096 0.00665 167 3PZ 0.13247 -0.03007 0.04920 -0.01313 0.14648 168 4XX -0.00499 0.00089 -0.00716 -0.00023 -0.00036 169 4YY -0.00055 0.00010 0.00064 -0.00006 -0.00136 170 4ZZ 0.00521 -0.00007 0.00524 0.00073 -0.00062 171 4XY -0.00458 0.00084 0.00270 0.00107 -0.00738 172 4XZ -0.00450 0.00063 -0.00082 0.00001 0.00263 173 4YZ -0.00671 0.00098 0.00649 0.00074 -0.00699 174 16 C 1S -0.00224 -0.00310 0.01208 -0.00010 0.01469 175 2S 0.01421 0.00728 -0.02581 0.00119 -0.03278 176 2PX 0.10494 -0.02257 0.16669 0.00655 0.01494 177 2PY -0.02170 0.00794 0.03033 -0.00404 0.01722 178 2PZ 0.10358 0.00533 0.14454 0.01376 -0.01562 179 3S -0.04558 0.01530 -0.05107 -0.00916 -0.07308 180 3PX 0.05190 0.00341 0.14302 0.00759 0.01331 181 3PY 0.02446 0.01533 -0.01447 -0.01607 0.04168 182 3PZ 0.06368 0.00979 0.08556 -0.00235 -0.00975 183 4XX 0.00929 -0.00292 0.00178 -0.00191 0.01477 184 4YY -0.00009 0.00170 0.00177 0.00108 -0.00687 185 4ZZ -0.01133 0.00192 -0.00317 0.00013 -0.00263 186 4XY 0.00003 -0.00053 -0.00161 0.00035 -0.00042 187 4XZ -0.00332 0.00154 -0.00062 -0.00140 0.00968 188 4YZ -0.00397 0.00065 -0.00034 0.00028 -0.00033 189 17 H 1S -0.00734 0.01187 -0.01804 0.00419 -0.02233 190 2S -0.01585 -0.01429 -0.06852 0.03521 -0.04382 191 18 H 1S 0.00655 0.00182 0.01348 0.00265 -0.00874 192 2S 0.01245 0.00354 0.02182 0.00432 -0.00909 193 19 H 1S 0.00655 0.00182 -0.01348 0.00265 -0.00874 194 2S 0.01245 0.00354 -0.02182 0.00433 -0.00908 195 20 H 1S -0.00734 0.01187 0.01804 0.00418 -0.02233 196 2S -0.01585 -0.01430 0.06853 0.03518 -0.04383 197 21 C 1S -0.00274 0.00847 0.00000 -0.00334 0.01662 198 2S 0.00118 -0.01607 0.00000 0.00668 -0.05136 199 2PX -0.16281 0.08121 0.00000 -0.00356 -0.01670 200 2PY 0.00000 0.00000 0.02129 0.00000 0.00000 201 2PZ -0.14229 -0.00200 0.00000 -0.01586 0.06220 202 3S 0.03592 -0.05125 0.00000 0.01393 -0.01111 203 3PX -0.04669 0.04566 0.00000 -0.00054 -0.00422 204 3PY 0.00000 0.00000 0.02629 0.00000 0.00000 205 3PZ -0.11016 -0.03205 0.00000 0.00025 -0.03602 206 4XX 0.00742 -0.00392 0.00000 -0.00066 0.00434 207 4YY 0.00390 0.00187 0.00000 0.00092 -0.00505 208 4ZZ -0.01369 0.00183 0.00000 -0.00141 0.00073 209 4XY 0.00000 0.00000 0.01059 0.00000 0.00000 210 4XZ -0.01986 0.00526 0.00000 -0.00144 0.00370 211 4YZ 0.00000 0.00000 0.00694 0.00000 0.00000 212 22 H 1S 0.10083 -0.04449 0.00000 0.00417 0.00708 213 2S 0.14072 0.01803 0.00000 0.00167 0.02450 214 23 H 1S -0.16757 0.03076 0.00000 -0.01162 0.02253 215 2S -0.16394 0.04603 0.00000 -0.02096 0.08077 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 0.02583 -0.00162 0.00340 0.00476 -0.00123 2 2S -0.05208 -0.00068 -0.00780 -0.01564 0.00458 3 2PX -0.08510 0.14137 -0.05273 0.13641 -0.08409 4 2PY -0.03269 0.00614 -0.00726 -0.01407 -0.01185 5 2PZ 0.05946 0.17839 -0.05798 0.20976 -0.08534 6 3S -0.19544 0.02021 -0.01505 0.01570 0.03481 7 3PX -0.04091 0.15903 -0.05835 0.22541 -0.10740 8 3PY 0.03914 0.01920 0.00543 -0.04874 0.00705 9 3PZ 0.02354 0.19071 -0.04499 0.27381 -0.10901 10 4XX 0.00102 0.00574 0.00727 0.00114 0.01503 11 4YY 0.00224 0.00068 -0.00043 -0.00138 0.00200 12 4ZZ 0.00139 -0.00800 -0.00608 0.00015 -0.01653 13 4XY -0.00621 0.00988 0.00372 0.00739 0.01198 14 4XZ -0.00050 0.00313 0.00249 -0.00107 0.00560 15 4YZ 0.00458 0.01089 0.00440 0.01284 0.01101 16 2 H 1S 0.04006 -0.00753 -0.00061 0.00818 -0.00902 17 2S 0.08149 -0.01741 -0.00062 0.05050 -0.05786 18 3 C 1S -0.02583 0.00162 0.00340 -0.00476 -0.00123 19 2S 0.05208 0.00068 -0.00780 0.01564 0.00458 20 2PX 0.08510 -0.14137 -0.05272 -0.13641 -0.08409 21 2PY -0.03269 0.00614 0.00726 -0.01406 0.01185 22 2PZ -0.05946 -0.17839 -0.05797 -0.20976 -0.08535 23 3S 0.19544 -0.02021 -0.01505 -0.01570 0.03481 24 3PX 0.04092 -0.15903 -0.05835 -0.22541 -0.10740 25 3PY 0.03914 0.01920 -0.00543 -0.04873 -0.00704 26 3PZ -0.02354 -0.19071 -0.04499 -0.27381 -0.10901 27 4XX -0.00102 -0.00574 0.00727 -0.00114 0.01503 28 4YY -0.00224 -0.00068 -0.00043 0.00137 0.00200 29 4ZZ -0.00139 0.00800 -0.00608 -0.00015 -0.01653 30 4XY -0.00621 0.00988 -0.00372 0.00739 -0.01198 31 4XZ 0.00050 -0.00313 0.00249 0.00107 0.00560 32 4YZ 0.00458 0.01089 -0.00440 0.01284 -0.01101 33 4 H 1S -0.04006 0.00753 -0.00061 -0.00818 -0.00902 34 2S -0.08149 0.01741 -0.00062 -0.05050 -0.05786 35 5 C 1S 0.00396 -0.00331 -0.00756 0.00921 0.00142 36 2S -0.01351 0.00856 0.02408 -0.02331 -0.01040 37 2PX -0.08417 -0.11935 0.10297 -0.03183 0.19127 38 2PY -0.00942 0.03387 0.00508 -0.02338 -0.04192 39 2PZ 0.06257 -0.19230 0.08898 0.03247 0.31040 40 3S 0.00739 0.03157 0.03797 -0.04168 0.02995 41 3PX -0.01024 -0.09621 0.09623 0.00147 0.25212 42 3PY 0.00459 0.02047 0.04887 0.04227 -0.07915 43 3PZ 0.00543 -0.13230 0.08533 0.01964 0.33904 44 4XX 0.00053 0.00322 0.00449 0.02231 -0.00185 45 4YY -0.00045 0.00456 -0.00091 -0.00260 -0.00033 46 4ZZ -0.00030 -0.00673 -0.00326 -0.01807 0.00289 47 4XY -0.01701 -0.01336 0.00626 -0.00339 0.00773 48 4XZ 0.00266 -0.00034 0.00033 0.00445 0.00304 49 4YZ 0.01994 -0.02037 0.00700 0.00210 0.00864 50 6 C 1S 0.02793 0.01035 -0.01065 -0.02833 0.01537 51 2S -0.05709 -0.01704 0.03660 0.05547 -0.02300 52 2PX 0.14244 -0.09309 0.06776 0.20338 -0.14225 53 2PY 0.04083 0.02113 -0.01030 -0.03902 0.05005 54 2PZ 0.02139 -0.06579 0.08548 0.16821 -0.11652 55 3S -0.20124 -0.06006 -0.02752 0.12549 -0.17796 56 3PX 0.09681 -0.07875 0.11623 0.28371 -0.19109 57 3PY -0.03321 -0.00035 0.01368 -0.11861 0.09249 58 3PZ 0.03697 -0.08737 0.10114 0.16479 -0.11830 59 4XX 0.00308 0.01076 -0.00866 -0.00665 -0.01327 60 4YY 0.00159 -0.00087 0.00268 -0.00207 0.00072 61 4ZZ 0.00344 -0.00574 0.00209 0.00099 0.01818 62 4XY -0.00889 0.00456 0.00618 -0.01023 -0.01367 63 4XZ 0.00529 0.00589 -0.01586 -0.00012 -0.00147 64 4YZ -0.00166 0.00369 0.00424 -0.00828 -0.01496 65 7 H 1S -0.00219 -0.01966 0.03005 -0.01441 0.01398 66 2S 0.04368 -0.03537 0.10961 -0.14036 0.13980 67 8 C 1S -0.02793 -0.01035 -0.01065 0.02832 0.01537 68 2S 0.05709 0.01704 0.03660 -0.05547 -0.02300 69 2PX -0.14245 0.09309 0.06777 -0.20338 -0.14225 70 2PY 0.04083 0.02112 0.01030 -0.03901 -0.05005 71 2PZ -0.02139 0.06579 0.08548 -0.16821 -0.11653 72 3S 0.20124 0.06006 -0.02752 -0.12548 -0.17797 73 3PX -0.09681 0.07875 0.11623 -0.28371 -0.19109 74 3PY -0.03321 -0.00035 -0.01368 -0.11861 -0.09249 75 3PZ -0.03698 0.08737 0.10114 -0.16478 -0.11832 76 4XX -0.00308 -0.01076 -0.00866 0.00665 -0.01327 77 4YY -0.00159 0.00087 0.00268 0.00207 0.00072 78 4ZZ -0.00344 0.00574 0.00209 -0.00099 0.01818 79 4XY -0.00889 0.00457 -0.00618 -0.01023 0.01367 80 4XZ -0.00529 -0.00589 -0.01586 0.00012 -0.00147 81 4YZ -0.00166 0.00369 -0.00424 -0.00828 0.01496 82 9 H 1S 0.00219 0.01967 0.03005 0.01440 0.01398 83 2S -0.04368 0.03537 0.10961 0.14036 0.13979 84 10 C 1S -0.00396 0.00331 -0.00756 -0.00921 0.00142 85 2S 0.01351 -0.00856 0.02408 0.02331 -0.01040 86 2PX 0.08417 0.11935 0.10297 0.03183 0.19127 87 2PY -0.00942 0.03386 -0.00508 -0.02338 0.04192 88 2PZ -0.06257 0.19230 0.08898 -0.03247 0.31040 89 3S -0.00738 -0.03157 0.03797 0.04168 0.02996 90 3PX 0.01024 0.09621 0.09623 -0.00147 0.25213 91 3PY 0.00459 0.02047 -0.04888 0.04227 0.07914 92 3PZ -0.00544 0.13230 0.08533 -0.01964 0.33903 93 4XX -0.00053 -0.00322 0.00449 -0.02231 -0.00186 94 4YY 0.00045 -0.00456 -0.00091 0.00260 -0.00033 95 4ZZ 0.00030 0.00673 -0.00326 0.01807 0.00289 96 4XY -0.01701 -0.01336 -0.00626 -0.00339 -0.00773 97 4XZ -0.00266 0.00033 0.00033 -0.00445 0.00304 98 4YZ 0.01994 -0.02037 -0.00700 0.00210 -0.00864 99 11 O 1S -0.00021 0.00108 -0.00186 -0.00105 0.00085 100 2S 0.00018 -0.00366 -0.00124 -0.00449 0.00442 101 2PX 0.18340 0.15889 -0.06168 0.02290 -0.12816 102 2PY 0.00333 -0.03589 0.00875 -0.00359 0.02873 103 2PZ -0.23347 0.22948 -0.07217 -0.01491 -0.20055 104 3S 0.00171 -0.00630 0.04387 0.04251 -0.03715 105 3PX 0.13570 0.14006 -0.06910 0.01675 -0.14829 106 3PY 0.00160 -0.03284 0.02379 0.00994 0.01857 107 3PZ -0.17190 0.20255 -0.07469 -0.01507 -0.22487 108 4XX 0.00129 0.00121 -0.00219 0.00142 0.00232 109 4YY 0.00008 -0.00168 -0.00076 -0.00138 -0.00005 110 4ZZ -0.00177 -0.00065 -0.00216 -0.00578 0.00284 111 4XY 0.00501 0.00203 0.00049 -0.00087 0.00163 112 4XZ 0.00004 0.00106 -0.00044 0.00078 0.00083 113 4YZ -0.00772 0.00269 0.00023 0.00084 0.00394 114 12 O 1S 0.00021 -0.00108 -0.00186 0.00105 0.00084 115 2S -0.00018 0.00366 -0.00124 0.00449 0.00442 116 2PX -0.18339 -0.15889 -0.06168 -0.02290 -0.12816 117 2PY 0.00334 -0.03589 -0.00874 -0.00359 -0.02873 118 2PZ 0.23347 -0.22948 -0.07217 0.01491 -0.20055 119 3S -0.00171 0.00630 0.04388 -0.04251 -0.03715 120 3PX -0.13569 -0.14006 -0.06910 -0.01675 -0.14829 121 3PY 0.00161 -0.03283 -0.02379 0.00994 -0.01857 122 3PZ 0.17190 -0.20255 -0.07469 0.01507 -0.22486 123 4XX -0.00129 -0.00121 -0.00219 -0.00142 0.00232 124 4YY -0.00008 0.00168 -0.00076 0.00138 -0.00005 125 4ZZ 0.00177 0.00065 -0.00216 0.00578 0.00284 126 4XY 0.00501 0.00203 -0.00049 -0.00087 -0.00163 127 4XZ -0.00004 -0.00106 -0.00044 -0.00078 0.00083 128 4YZ -0.00772 0.00269 -0.00023 0.00084 -0.00394 129 13 C 1S -0.01316 -0.01390 0.02131 0.00321 -0.00742 130 2S 0.02755 0.03288 -0.02875 -0.02803 0.01996 131 2PX -0.17753 -0.07995 0.24441 0.00141 -0.08075 132 2PY 0.04977 0.02594 -0.01174 0.00175 0.01229 133 2PZ -0.13864 -0.05535 0.25754 0.03077 -0.09107 134 3S 0.03357 0.06084 -0.19709 0.12221 0.01357 135 3PX -0.14708 -0.06518 0.26250 0.01339 -0.16685 136 3PY 0.00999 0.03700 -0.06399 0.04296 -0.07452 137 3PZ -0.11112 -0.06366 0.33403 0.03223 -0.07942 138 4XX -0.00419 -0.00840 0.00067 0.01520 0.00128 139 4YY -0.00250 0.00105 -0.00011 -0.00329 -0.00039 140 4ZZ 0.00538 0.00410 0.00748 -0.00894 -0.00449 141 4XY -0.00152 -0.00040 -0.00062 0.00034 0.00522 142 4XZ -0.00040 -0.00508 0.00092 0.01201 -0.00565 143 4YZ 0.00042 0.00090 -0.00201 0.00057 0.00267 144 14 C 1S 0.00353 0.00160 -0.00189 -0.00013 -0.00465 145 2S -0.01342 -0.00254 -0.00190 -0.00036 0.01964 146 2PX -0.06421 -0.06813 -0.11783 0.18000 -0.00698 147 2PY 0.01348 0.00616 0.00592 0.00523 -0.00857 148 2PZ -0.11088 -0.08721 -0.11501 0.17855 0.02664 149 3S 0.04398 -0.00880 0.05276 -0.04838 0.05849 150 3PX -0.07773 -0.06802 -0.17776 0.26315 -0.00541 151 3PY 0.03724 0.02285 0.00394 -0.03310 -0.00497 152 3PZ -0.06105 -0.09092 -0.14431 0.20479 0.07217 153 4XX 0.00713 0.00348 -0.01530 -0.00068 0.00445 154 4YY -0.00096 0.00000 -0.00014 -0.00197 0.00185 155 4ZZ -0.00538 -0.00258 0.01462 0.00121 -0.00340 156 4XY 0.00310 0.00330 -0.00816 -0.00925 0.00139 157 4XZ 0.00129 -0.00021 -0.00266 0.00140 -0.00185 158 4YZ 0.00770 0.00541 -0.01048 -0.00920 0.00419 159 15 C 1S -0.00353 -0.00160 -0.00189 0.00013 -0.00465 160 2S 0.01342 0.00254 -0.00190 0.00036 0.01964 161 2PX 0.06420 0.06813 -0.11783 -0.18001 -0.00698 162 2PY 0.01348 0.00616 -0.00592 0.00523 0.00858 163 2PZ 0.11087 0.08721 -0.11500 -0.17856 0.02664 164 3S -0.04398 0.00880 0.05276 0.04838 0.05849 165 3PX 0.07773 0.06802 -0.17776 -0.26316 -0.00540 166 3PY 0.03724 0.02285 -0.00394 -0.03310 0.00497 167 3PZ 0.06104 0.09092 -0.14430 -0.20479 0.07217 168 4XX -0.00713 -0.00348 -0.01530 0.00068 0.00445 169 4YY 0.00096 0.00000 -0.00014 0.00197 0.00185 170 4ZZ 0.00538 0.00258 0.01462 -0.00121 -0.00340 171 4XY 0.00310 0.00330 0.00816 -0.00925 -0.00139 172 4XZ -0.00129 0.00021 -0.00266 -0.00140 -0.00185 173 4YZ 0.00770 0.00541 0.01048 -0.00920 -0.00419 174 16 C 1S 0.01316 0.01390 0.02131 -0.00321 -0.00742 175 2S -0.02755 -0.03288 -0.02875 0.02803 0.01995 176 2PX 0.17753 0.07995 0.24442 -0.00140 -0.08075 177 2PY 0.04977 0.02594 0.01174 0.00175 -0.01229 178 2PZ 0.13864 0.05535 0.25754 -0.03076 -0.09108 179 3S -0.03357 -0.06083 -0.19708 -0.12221 0.01358 180 3PX 0.14708 0.06518 0.26250 -0.01338 -0.16685 181 3PY 0.00999 0.03700 0.06399 0.04296 0.07452 182 3PZ 0.11112 0.06366 0.33403 -0.03222 -0.07942 183 4XX 0.00419 0.00840 0.00067 -0.01520 0.00128 184 4YY 0.00250 -0.00105 -0.00011 0.00329 -0.00039 185 4ZZ -0.00538 -0.00410 0.00748 0.00894 -0.00449 186 4XY -0.00152 -0.00040 0.00062 0.00034 -0.00522 187 4XZ 0.00040 0.00508 0.00092 -0.01201 -0.00565 188 4YZ 0.00042 0.00090 0.00201 0.00058 -0.00267 189 17 H 1S -0.02464 0.00210 0.00857 -0.01995 -0.00748 190 2S -0.03605 0.02912 0.00571 -0.03267 -0.10094 191 18 H 1S 0.01306 0.00824 -0.00312 -0.00452 0.00327 192 2S 0.03171 0.01571 0.00729 -0.02969 0.02082 193 19 H 1S -0.01306 -0.00824 -0.00312 0.00452 0.00327 194 2S -0.03171 -0.01571 0.00729 0.02969 0.02082 195 20 H 1S 0.02464 -0.00210 0.00857 0.01995 -0.00748 196 2S 0.03605 -0.02912 0.00570 0.03267 -0.10094 197 21 C 1S 0.00000 0.00000 -0.00486 0.00000 0.00299 198 2S 0.00000 0.00000 0.00512 0.00000 -0.01612 199 2PX 0.00000 0.00000 0.01060 0.00000 0.01727 200 2PY -0.01336 -0.04313 0.00000 0.07452 0.00000 201 2PZ 0.00000 0.00000 -0.03263 0.00000 -0.00500 202 3S 0.00000 0.00000 0.06174 0.00000 0.01444 203 3PX 0.00000 0.00000 0.04226 0.00000 0.01304 204 3PY -0.01312 0.00604 0.00000 0.15169 0.00000 205 3PZ 0.00000 0.00000 -0.05143 0.00000 -0.08093 206 4XX 0.00000 0.00000 0.00982 0.00000 -0.00389 207 4YY 0.00000 0.00000 0.01013 0.00000 -0.00274 208 4ZZ 0.00000 0.00000 -0.02193 0.00000 0.00520 209 4XY 0.00985 0.00171 0.00000 -0.00045 0.00000 210 4XZ 0.00000 0.00000 -0.01531 0.00000 0.00431 211 4YZ 0.00798 0.00336 0.00000 0.00110 0.00000 212 22 H 1S 0.00000 0.00000 0.05437 0.00000 -0.03616 213 2S 0.00000 0.00000 0.15786 0.00000 -0.02058 214 23 H 1S 0.00000 0.00000 -0.11571 0.00000 0.04516 215 2S 0.00000 0.00000 -0.28991 0.00000 0.15011 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 0.00382 0.02084 0.04527 -0.02700 -0.00196 2 2S -0.00245 -0.05818 -0.06621 0.04138 0.03845 3 2PX -0.11476 0.00958 0.12309 -0.12937 0.04312 4 2PY -0.00414 -0.03198 -0.08881 0.07674 -0.01125 5 2PZ -0.14852 -0.03596 -0.07563 0.12402 0.01428 6 3S -0.07903 -0.25380 -0.76638 0.61591 -0.04130 7 3PX -0.19554 0.08479 0.26289 -0.26705 0.04373 8 3PY 0.01124 -0.14275 -0.32237 0.27908 0.00055 9 3PZ -0.22026 -0.06754 -0.18291 0.22554 -0.02241 10 4XX 0.00627 0.00342 0.00866 -0.00173 -0.00022 11 4YY 0.00036 -0.00584 -0.00258 0.00140 0.00610 12 4ZZ -0.00506 0.00166 0.00300 -0.00019 0.00027 13 4XY -0.00535 -0.00522 -0.01484 0.00945 -0.00051 14 4XZ 0.00126 0.00067 -0.00924 -0.00418 -0.00702 15 4YZ -0.00704 0.00323 0.00997 -0.01129 0.00019 16 2 H 1S 0.00502 0.01912 0.08317 -0.04212 0.01504 17 2S 0.01425 0.33635 1.00155 -0.89592 0.08051 18 3 C 1S -0.00382 0.02084 0.04527 -0.02700 -0.00197 19 2S 0.00245 -0.05818 -0.06621 0.04137 0.03845 20 2PX 0.11476 0.00958 0.12309 -0.12938 0.04313 21 2PY -0.00414 0.03197 0.08881 -0.07673 0.01125 22 2PZ 0.14851 -0.03596 -0.07563 0.12400 0.01429 23 3S 0.07902 -0.25380 -0.76639 0.61592 -0.04133 24 3PX 0.19554 0.08480 0.26289 -0.26706 0.04371 25 3PY 0.01123 0.14274 0.32237 -0.27905 -0.00059 26 3PZ 0.22025 -0.06754 -0.18291 0.22550 -0.02236 27 4XX -0.00627 0.00342 0.00866 -0.00173 -0.00022 28 4YY -0.00036 -0.00584 -0.00258 0.00140 0.00610 29 4ZZ 0.00506 0.00166 0.00300 -0.00019 0.00027 30 4XY -0.00535 0.00522 0.01484 -0.00945 0.00051 31 4XZ -0.00126 0.00067 -0.00924 -0.00418 -0.00702 32 4YZ -0.00704 -0.00323 -0.00996 0.01129 -0.00019 33 4 H 1S -0.00502 0.01912 0.08317 -0.04211 0.01504 34 2S -0.01424 0.33635 1.00156 -0.89589 0.08046 35 5 C 1S 0.00607 0.00524 0.01160 0.00399 0.00249 36 2S -0.02998 -0.02947 -0.02827 -0.00118 0.02051 37 2PX -0.11008 -0.02103 -0.00269 -0.09536 0.00754 38 2PY -0.00244 0.00400 0.02340 0.00838 0.00921 39 2PZ -0.11423 -0.02688 -0.00169 0.01414 0.03307 40 3S 0.02893 0.07253 -0.04924 -0.09442 -0.13933 41 3PX -0.05692 -0.05445 -0.03410 0.00263 0.02215 42 3PY -0.05222 -0.13328 0.06595 0.04703 0.00377 43 3PZ -0.11277 -0.01211 0.01578 -0.09891 0.01682 44 4XX -0.01204 -0.00579 -0.01263 0.00094 0.00116 45 4YY 0.00037 0.01309 0.02537 0.00063 0.00266 46 4ZZ 0.01040 -0.00472 -0.00992 -0.00169 -0.00223 47 4XY -0.00171 0.00297 0.00040 0.00898 -0.00105 48 4XZ -0.00238 0.00726 0.00489 -0.00045 -0.00516 49 4YZ -0.00365 0.00228 0.00412 -0.00441 -0.00046 50 6 C 1S 0.00168 0.02556 0.03433 0.02975 -0.00382 51 2S -0.00769 -0.04303 -0.07355 -0.03511 0.03327 52 2PX -0.06343 -0.02105 -0.02896 -0.10614 -0.00196 53 2PY 0.01930 0.04268 0.04527 0.06810 0.01968 54 2PZ -0.10755 0.06317 0.06857 0.17202 0.02669 55 3S 0.06883 -0.35162 -0.44036 -0.67093 -0.04471 56 3PX -0.12879 -0.13320 -0.08301 -0.22626 -0.04976 57 3PY 0.03861 0.14920 0.17366 0.26784 0.01259 58 3PZ -0.24971 0.19104 0.18889 0.38520 0.06730 59 4XX 0.00526 0.00353 0.00422 0.00085 0.00178 60 4YY -0.00202 -0.00159 -0.00624 -0.00019 0.00658 61 4ZZ 0.00082 0.00444 0.00569 0.00486 -0.00548 62 4XY 0.00145 -0.00259 -0.00987 -0.01033 -0.00241 63 4XZ 0.01114 -0.00171 -0.00597 0.00132 -0.00276 64 4YZ 0.00627 0.00668 0.00876 0.01425 -0.00279 65 7 H 1S -0.01141 0.02980 0.05758 0.06096 -0.00155 66 2S -0.17389 0.54400 0.61754 1.02389 0.08681 67 8 C 1S -0.00168 0.02556 0.03433 0.02975 -0.00382 68 2S 0.00768 -0.04303 -0.07355 -0.03510 0.03326 69 2PX 0.06342 -0.02105 -0.02896 -0.10612 -0.00198 70 2PY 0.01929 -0.04268 -0.04527 -0.06810 -0.01968 71 2PZ 0.10755 0.06317 0.06856 0.17203 0.02668 72 3S -0.06884 -0.35161 -0.44036 -0.67090 -0.04474 73 3PX 0.12878 -0.13321 -0.08301 -0.22624 -0.04983 74 3PY 0.03861 -0.14920 -0.17366 -0.26782 -0.01263 75 3PZ 0.24971 0.19105 0.18888 0.38519 0.06733 76 4XX -0.00526 0.00353 0.00422 0.00085 0.00178 77 4YY 0.00202 -0.00159 -0.00624 -0.00020 0.00658 78 4ZZ -0.00082 0.00444 0.00569 0.00486 -0.00548 79 4XY 0.00145 0.00259 0.00987 0.01033 0.00241 80 4XZ -0.01114 -0.00171 -0.00597 0.00132 -0.00276 81 4YZ 0.00627 -0.00668 -0.00876 -0.01425 0.00279 82 9 H 1S 0.01142 0.02980 0.05758 0.06095 -0.00155 83 2S 0.17391 0.54401 0.61753 1.02383 0.08689 84 10 C 1S -0.00607 0.00524 0.01160 0.00399 0.00248 85 2S 0.02998 -0.02947 -0.02827 -0.00118 0.02051 86 2PX 0.11008 -0.02102 -0.00270 -0.09537 0.00755 87 2PY -0.00245 -0.00400 -0.02340 -0.00838 -0.00921 88 2PZ 0.11424 -0.02688 -0.00169 0.01412 0.03308 89 3S -0.02894 0.07252 -0.04924 -0.09442 -0.13933 90 3PX 0.05692 -0.05445 -0.03411 0.00261 0.02216 91 3PY -0.05223 0.13328 -0.06595 -0.04706 -0.00370 92 3PZ 0.11277 -0.01211 0.01578 -0.09892 0.01684 93 4XX 0.01204 -0.00579 -0.01263 0.00094 0.00115 94 4YY -0.00037 0.01309 0.02537 0.00063 0.00266 95 4ZZ -0.01040 -0.00472 -0.00992 -0.00169 -0.00223 96 4XY -0.00171 -0.00296 -0.00040 -0.00898 0.00105 97 4XZ 0.00238 0.00726 0.00489 -0.00046 -0.00515 98 4YZ -0.00365 -0.00228 -0.00412 0.00441 0.00046 99 11 O 1S 0.00165 0.00457 -0.01166 -0.00356 -0.00305 100 2S 0.00575 0.00065 0.02743 0.00190 -0.00296 101 2PX 0.04350 -0.01199 0.02480 0.02926 -0.01119 102 2PY -0.00733 0.03404 0.07198 0.00353 0.01036 103 2PZ 0.05820 0.00944 0.01727 0.03267 -0.01109 104 3S -0.06244 -0.12078 0.10006 0.06440 0.06247 105 3PX 0.04624 0.00518 0.01689 0.04022 -0.00793 106 3PY -0.02882 -0.02772 0.07842 0.02403 0.03291 107 3PZ 0.06612 0.00779 0.01099 0.02562 -0.01215 108 4XX 0.00066 0.00573 -0.00174 -0.00403 -0.00306 109 4YY 0.00224 -0.00433 -0.00370 -0.00025 -0.00251 110 4ZZ 0.00524 0.00436 -0.00082 -0.00163 -0.00470 111 4XY -0.00256 -0.00214 0.00104 -0.00456 0.00022 112 4XZ -0.00035 0.00089 -0.00240 -0.00094 -0.00109 113 4YZ -0.00270 -0.00201 -0.00042 0.00277 0.00136 114 12 O 1S -0.00165 0.00457 -0.01166 -0.00356 -0.00305 115 2S -0.00575 0.00065 0.02743 0.00190 -0.00296 116 2PX -0.04351 -0.01199 0.02480 0.02927 -0.01119 117 2PY -0.00733 -0.03404 -0.07198 -0.00353 -0.01036 118 2PZ -0.05820 0.00944 0.01727 0.03268 -0.01110 119 3S 0.06244 -0.12078 0.10006 0.06442 0.06242 120 3PX -0.04624 0.00518 0.01689 0.04023 -0.00794 121 3PY -0.02883 0.02772 -0.07842 -0.02404 -0.03289 122 3PZ -0.06612 0.00779 0.01100 0.02563 -0.01216 123 4XX -0.00066 0.00573 -0.00174 -0.00403 -0.00305 124 4YY -0.00224 -0.00433 -0.00370 -0.00025 -0.00251 125 4ZZ -0.00524 0.00436 -0.00082 -0.00163 -0.00469 126 4XY -0.00256 0.00214 -0.00104 0.00456 -0.00022 127 4XZ 0.00035 0.00089 -0.00240 -0.00094 -0.00109 128 4YZ -0.00270 0.00201 0.00042 -0.00277 -0.00136 129 13 C 1S -0.03648 0.03888 -0.01203 0.00604 0.00186 130 2S 0.05726 -0.08129 0.03347 -0.00416 0.02907 131 2PX -0.20315 0.00680 -0.01826 0.00613 0.00918 132 2PY 0.03054 0.10728 -0.06730 -0.03745 -0.02803 133 2PZ -0.12262 -0.04612 0.00083 -0.00608 -0.03941 134 3S 0.44188 -0.48560 0.06812 -0.15403 -0.12731 135 3PX -0.33131 0.06993 -0.01632 0.05715 0.00651 136 3PY 0.10236 0.24069 -0.28329 -0.23049 -0.21716 137 3PZ -0.17263 -0.11735 -0.01259 -0.09552 -0.34166 138 4XX 0.00836 -0.00203 0.00322 0.00362 -0.00322 139 4YY 0.00088 0.01470 -0.00688 -0.00263 0.00609 140 4ZZ -0.01834 -0.00753 0.00228 -0.00043 0.00217 141 4XY 0.00329 0.00765 -0.00637 -0.00549 0.00948 142 4XZ -0.00067 0.00465 -0.00112 0.00010 -0.00287 143 4YZ 0.00182 -0.00444 0.00363 0.00359 0.00430 144 14 C 1S -0.00924 0.03758 -0.01826 -0.00739 0.02399 145 2S 0.02598 -0.07609 0.01461 -0.00145 -0.00289 146 2PX 0.19550 -0.08070 0.06238 0.03162 -0.02300 147 2PY 0.00576 0.09204 -0.03612 0.00159 0.08138 148 2PZ 0.20152 0.09867 -0.01983 0.01017 0.09576 149 3S 0.04503 -0.60423 0.33565 0.11503 -0.54052 150 3PX 0.38426 -0.18901 0.06968 0.00733 -0.08469 151 3PY -0.02127 0.21484 -0.07996 -0.00450 0.25887 152 3PZ 0.30506 0.20897 -0.07008 -0.01164 0.15817 153 4XX 0.00885 0.00108 -0.00314 -0.00546 0.00441 154 4YY -0.00308 -0.00233 -0.00058 0.00065 0.00599 155 4ZZ -0.00647 0.00118 -0.00150 0.00022 0.00021 156 4XY -0.00958 -0.01127 0.01033 0.00778 0.00115 157 4XZ -0.00096 -0.00172 0.00543 0.00522 -0.00281 158 4YZ -0.00814 0.01239 -0.00430 -0.00101 0.00726 159 15 C 1S 0.00924 0.03758 -0.01826 -0.00739 0.02399 160 2S -0.02598 -0.07609 0.01461 -0.00146 -0.00289 161 2PX -0.19550 -0.08070 0.06238 0.03162 -0.02300 162 2PY 0.00576 -0.09204 0.03612 -0.00159 -0.08138 163 2PZ -0.20152 0.09867 -0.01983 0.01017 0.09577 164 3S -0.04502 -0.60423 0.33564 0.11499 -0.54052 165 3PX -0.38426 -0.18902 0.06969 0.00733 -0.08470 166 3PY -0.02127 -0.21485 0.07996 0.00450 -0.25886 167 3PZ -0.30506 0.20897 -0.07007 -0.01164 0.15820 168 4XX -0.00886 0.00108 -0.00314 -0.00546 0.00441 169 4YY 0.00308 -0.00233 -0.00058 0.00065 0.00599 170 4ZZ 0.00647 0.00118 -0.00150 0.00022 0.00021 171 4XY -0.00958 0.01127 -0.01033 -0.00778 -0.00115 172 4XZ 0.00097 -0.00172 0.00543 0.00522 -0.00281 173 4YZ -0.00814 -0.01239 0.00430 0.00101 -0.00726 174 16 C 1S 0.03648 0.03888 -0.01203 0.00604 0.00186 175 2S -0.05726 -0.08129 0.03347 -0.00416 0.02906 176 2PX 0.20314 0.00680 -0.01826 0.00613 0.00918 177 2PY 0.03054 -0.10728 0.06730 0.03746 0.02802 178 2PZ 0.12262 -0.04612 0.00083 -0.00607 -0.03942 179 3S -0.44187 -0.48559 0.06813 -0.15401 -0.12736 180 3PX 0.33131 0.06993 -0.01633 0.05717 0.00648 181 3PY 0.10237 -0.24069 0.28328 0.23049 0.21714 182 3PZ 0.17264 -0.11735 -0.01260 -0.09552 -0.34168 183 4XX -0.00836 -0.00203 0.00322 0.00362 -0.00322 184 4YY -0.00088 0.01470 -0.00688 -0.00263 0.00609 185 4ZZ 0.01834 -0.00753 0.00228 -0.00043 0.00217 186 4XY 0.00329 -0.00765 0.00637 0.00549 -0.00948 187 4XZ 0.00067 0.00465 -0.00112 0.00010 -0.00287 188 4YZ 0.00182 0.00444 -0.00363 -0.00358 -0.00430 189 17 H 1S -0.00152 0.05640 -0.02690 -0.00973 0.02350 190 2S -0.11216 0.69983 -0.38647 -0.12823 -0.06942 191 18 H 1S 0.00234 0.04650 -0.05029 -0.04376 0.01725 192 2S -0.07387 0.84359 -0.39947 -0.12798 0.58753 193 19 H 1S -0.00234 0.04650 -0.05029 -0.04376 0.01725 194 2S 0.07387 0.84360 -0.39947 -0.12796 0.58754 195 20 H 1S 0.00152 0.05640 -0.02690 -0.00973 0.02350 196 2S 0.11213 0.69982 -0.38647 -0.12824 -0.06937 197 21 C 1S 0.00000 0.03823 -0.02321 -0.02959 -0.10779 198 2S 0.00000 -0.05506 0.01454 0.02028 0.10203 199 2PX 0.00000 0.04319 -0.04236 -0.05403 0.09212 200 2PY 0.07587 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 -0.08956 -0.00636 -0.02462 0.28609 202 3S 0.00000 -0.56215 0.51844 0.63973 2.10544 203 3PX 0.00000 0.03705 -0.03275 -0.06332 0.41613 204 3PY 0.25836 0.00000 0.00000 0.00000 0.00001 205 3PZ 0.00000 -0.17410 -0.15971 -0.20806 0.66827 206 4XX 0.00000 0.00912 -0.00278 -0.00155 -0.00729 207 4YY 0.00000 -0.01246 0.00367 -0.00180 -0.01058 208 4ZZ 0.00000 0.01032 -0.00311 -0.00151 -0.00388 209 4XY 0.01441 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 -0.00468 0.00900 0.00651 -0.00859 211 4YZ 0.01510 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.03406 -0.02543 -0.01850 -0.00279 213 2S 0.00000 0.44377 -0.30007 -0.32055 -0.59371 214 23 H 1S 0.00000 0.02689 0.01459 0.01706 -0.05336 215 2S 0.00000 0.41847 0.02264 0.06658 -1.75156 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 0.02711 0.00853 -0.00020 0.00668 0.00406 2 2S -0.09032 -0.02210 -0.02114 -0.02664 -0.09169 3 2PX -0.11436 0.05353 -0.01820 0.03949 -0.05658 4 2PY -0.03290 -0.01208 0.01809 -0.00467 0.01708 5 2PZ -0.15835 0.04854 -0.01241 0.04230 -0.05910 6 3S 0.16803 0.03369 0.10667 0.03399 0.15399 7 3PX 0.16098 0.20431 -0.03678 0.16256 0.02105 8 3PY -0.35253 -0.13669 0.05965 -0.15839 -0.00783 9 3PZ -0.50816 0.02208 0.02068 0.05219 -0.04168 10 4XX 0.00861 -0.00230 0.00036 -0.00715 -0.00304 11 4YY 0.00452 0.00098 -0.00354 -0.00011 -0.01322 12 4ZZ -0.01141 0.00376 0.00088 0.00338 0.00053 13 4XY -0.00384 0.00154 -0.00088 -0.00045 -0.00065 14 4XZ -0.00002 -0.00234 0.00298 0.00079 0.01512 15 4YZ -0.00556 0.00200 0.00072 0.00155 0.00205 16 2 H 1S 0.02251 0.00654 -0.00527 -0.00415 -0.03359 17 2S 0.49958 0.19389 -0.08851 0.14129 -0.02170 18 3 C 1S -0.02712 -0.00853 -0.00019 -0.00668 0.00408 19 2S 0.09032 0.02210 -0.02114 0.02664 -0.09175 20 2PX 0.11434 -0.05353 -0.01820 -0.03949 -0.05652 21 2PY -0.03291 -0.01208 -0.01809 -0.00467 -0.01705 22 2PZ 0.15836 -0.04854 -0.01241 -0.04231 -0.05911 23 3S -0.16800 -0.03368 0.10666 -0.03400 0.15380 24 3PX -0.16101 -0.20431 -0.03676 -0.16256 0.02138 25 3PY -0.35254 -0.13669 -0.05964 -0.15837 0.00805 26 3PZ 0.50818 -0.02208 0.02067 -0.05219 -0.04184 27 4XX -0.00861 0.00230 0.00036 0.00715 -0.00304 28 4YY -0.00452 -0.00098 -0.00354 0.00011 -0.01321 29 4ZZ 0.01141 -0.00376 0.00088 -0.00338 0.00054 30 4XY -0.00384 0.00154 0.00088 -0.00045 0.00065 31 4XZ 0.00002 0.00235 0.00298 -0.00079 0.01512 32 4YZ -0.00556 0.00200 -0.00072 0.00155 -0.00205 33 4 H 1S -0.02252 -0.00654 -0.00527 0.00415 -0.03357 34 2S -0.49964 -0.19388 -0.08849 -0.14128 -0.02113 35 5 C 1S 0.01623 0.00156 0.00447 0.00091 0.01036 36 2S -0.03532 -0.01486 -0.01240 0.02793 -0.05966 37 2PX -0.14305 0.05604 -0.00575 0.08260 -0.01554 38 2PY -0.00299 -0.01860 -0.00247 0.00714 -0.03332 39 2PZ -0.18552 0.07253 -0.00977 0.10582 -0.04356 40 3S 0.01705 0.11813 -0.01835 -0.16068 0.06985 41 3PX -0.13565 0.15929 0.05731 0.16575 -0.02577 42 3PY 0.58438 0.19060 0.08936 0.21781 -0.29326 43 3PZ -0.20843 0.09889 -0.06612 0.04809 -0.06025 44 4XX 0.00468 0.00164 0.00035 -0.00039 -0.00032 45 4YY -0.00075 -0.00279 0.00016 -0.00175 0.00413 46 4ZZ -0.00036 -0.00002 -0.00016 0.00216 -0.00223 47 4XY -0.00072 -0.00009 -0.00079 -0.00196 0.00151 48 4XZ -0.01240 -0.00282 0.00055 -0.00394 0.00946 49 4YZ 0.00064 -0.00099 -0.00150 -0.00086 -0.00032 50 6 C 1S -0.05873 -0.00889 0.00707 0.00882 0.00903 51 2S 0.12947 0.02399 -0.00448 -0.00955 -0.01322 52 2PX 0.16932 -0.04236 -0.01238 -0.07985 -0.01105 53 2PY -0.04969 -0.00655 -0.00342 0.01849 0.03763 54 2PZ 0.11199 -0.08264 0.01532 -0.04824 0.03950 55 3S 0.26543 0.05084 -0.19363 -0.13054 -0.16529 56 3PX 0.63807 0.11512 0.00100 -0.12281 -0.14167 57 3PY -0.35852 -0.05178 0.08999 0.15709 0.12242 58 3PZ -0.18910 -0.39070 0.00462 -0.05663 0.10501 59 4XX 0.00438 -0.00488 0.00185 -0.00263 0.00232 60 4YY -0.01053 -0.00234 -0.00182 0.00222 0.00189 61 4ZZ -0.00927 0.00511 0.00338 0.00576 -0.00172 62 4XY -0.00404 0.00130 -0.00374 0.00308 -0.00560 63 4XZ 0.00372 -0.00117 0.00310 -0.00086 0.00209 64 4YZ -0.00054 0.00266 0.00007 0.00074 -0.00018 65 7 H 1S -0.05561 0.00993 0.00437 0.02212 -0.00230 66 2S -0.77673 -0.38657 0.12980 0.17885 0.25780 67 8 C 1S 0.05873 0.00889 0.00707 -0.00882 0.00903 68 2S -0.12947 -0.02399 -0.00448 0.00954 -0.01321 69 2PX -0.16933 0.04236 -0.01238 0.07985 -0.01110 70 2PY -0.04969 -0.00655 0.00342 0.01849 -0.03761 71 2PZ -0.11198 0.08264 0.01532 0.04824 0.03947 72 3S -0.26548 -0.05084 -0.19363 0.13056 -0.16540 73 3PX -0.63809 -0.11512 0.00102 0.12281 -0.14169 74 3PY -0.35853 -0.05178 -0.08997 0.15710 -0.12230 75 3PZ 0.18912 0.39070 0.00459 0.05664 0.10488 76 4XX -0.00438 0.00488 0.00185 0.00263 0.00232 77 4YY 0.01053 0.00234 -0.00182 -0.00222 0.00189 78 4ZZ 0.00927 -0.00511 0.00338 -0.00576 -0.00172 79 4XY -0.00404 0.00130 0.00374 0.00308 0.00559 80 4XZ -0.00372 0.00117 0.00310 0.00086 0.00209 81 4YZ -0.00054 0.00266 -0.00007 0.00074 0.00018 82 9 H 1S 0.05562 -0.00993 0.00437 -0.02211 -0.00230 83 2S 0.77681 0.38656 0.12976 -0.17885 0.25768 84 10 C 1S -0.01623 -0.00156 0.00447 -0.00091 0.01036 85 2S 0.03532 0.01485 -0.01241 -0.02793 -0.05969 86 2PX 0.14304 -0.05604 -0.00576 -0.08259 -0.01550 87 2PY -0.00300 -0.01860 0.00248 0.00715 0.03335 88 2PZ 0.18552 -0.07253 -0.00978 -0.10582 -0.04354 89 3S -0.01703 -0.11813 -0.01832 0.16070 0.06988 90 3PX 0.13566 -0.15928 0.05731 -0.16576 -0.02571 91 3PY 0.58437 0.19061 -0.08937 0.21783 0.29313 92 3PZ 0.20842 -0.09889 -0.06611 -0.04809 -0.06019 93 4XX -0.00468 -0.00164 0.00035 0.00039 -0.00031 94 4YY 0.00075 0.00279 0.00016 0.00175 0.00413 95 4ZZ 0.00036 0.00003 -0.00016 -0.00216 -0.00223 96 4XY -0.00072 -0.00009 0.00079 -0.00196 -0.00151 97 4XZ 0.01240 0.00282 0.00055 0.00394 0.00945 98 4YZ 0.00064 -0.00099 0.00150 -0.00086 0.00032 99 11 O 1S -0.02002 -0.00641 -0.00724 -0.01461 0.01095 100 2S 0.01288 0.00973 0.02668 0.02298 0.00513 101 2PX 0.07991 -0.00441 0.04028 0.01019 -0.00259 102 2PY 0.00300 -0.00304 -0.00240 0.00559 0.00189 103 2PZ 0.08487 -0.03150 0.02425 -0.01383 0.01231 104 3S 0.41750 0.11993 0.06521 0.23753 -0.26952 105 3PX 0.10161 -0.03492 0.01113 -0.02663 0.00315 106 3PY 0.12031 0.04091 0.03209 0.10556 -0.09415 107 3PZ 0.12135 -0.04344 0.02381 -0.02809 0.01151 108 4XX -0.01455 -0.00331 -0.00030 -0.00826 0.01260 109 4YY 0.00010 0.00217 0.00751 0.00550 0.00110 110 4ZZ -0.01338 -0.00181 0.00337 -0.00442 0.01165 111 4XY -0.00171 0.00193 0.00102 0.00467 -0.00173 112 4XZ -0.00156 -0.00006 -0.00201 -0.00248 0.00114 113 4YZ -0.00368 0.00266 0.00170 0.00610 -0.00189 114 12 O 1S 0.02002 0.00641 -0.00724 0.01461 0.01095 115 2S -0.01288 -0.00973 0.02668 -0.02298 0.00513 116 2PX -0.07991 0.00441 0.04028 -0.01020 -0.00262 117 2PY 0.00300 -0.00304 0.00241 0.00559 -0.00189 118 2PZ -0.08486 0.03151 0.02425 0.01383 0.01230 119 3S -0.41750 -0.11994 0.06521 -0.23755 -0.26944 120 3PX -0.10161 0.03492 0.01113 0.02664 0.00313 121 3PY 0.12032 0.04091 -0.03209 0.10557 0.09413 122 3PZ -0.12134 0.04344 0.02381 0.02808 0.01150 123 4XX 0.01455 0.00331 -0.00030 0.00827 0.01260 124 4YY -0.00010 -0.00216 0.00751 -0.00551 0.00110 125 4ZZ 0.01338 0.00181 0.00337 0.00442 0.01165 126 4XY -0.00171 0.00193 -0.00102 0.00467 0.00173 127 4XZ 0.00156 0.00006 -0.00201 0.00248 0.00114 128 4YZ -0.00368 0.00266 -0.00170 0.00610 0.00189 129 13 C 1S -0.00734 -0.00070 -0.08299 -0.08103 -0.00909 130 2S -0.00781 -0.02052 0.12238 0.14071 0.02408 131 2PX 0.08096 -0.04830 -0.03183 -0.02075 -0.01807 132 2PY -0.07019 -0.15077 -0.10074 -0.14748 0.01348 133 2PZ 0.09474 0.02291 0.07263 0.07278 -0.03849 134 3S 0.33958 0.47322 1.21576 1.19125 -0.01397 135 3PX 0.28176 -0.13395 -0.13418 -0.11737 -0.30866 136 3PY -0.08596 -0.18683 -0.42890 -0.65417 -0.04661 137 3PZ 0.16286 0.15416 0.23525 0.23219 -0.15152 138 4XX -0.00554 0.00055 -0.00257 -0.00946 -0.00507 139 4YY 0.00012 -0.00104 -0.01326 0.00583 0.00115 140 4ZZ 0.00959 0.00313 -0.00166 -0.00897 -0.00063 141 4XY -0.00680 0.00070 0.00773 -0.00451 0.01055 142 4XZ 0.01050 -0.00948 0.00342 0.00311 0.00841 143 4YZ -0.00389 -0.00207 -0.00988 0.00187 0.01135 144 14 C 1S 0.01470 -0.07278 0.03720 0.05210 -0.00495 145 2S -0.02752 0.13639 -0.06408 -0.10539 -0.00572 146 2PX -0.02447 0.08735 -0.06528 -0.01453 0.08735 147 2PY 0.00774 -0.09778 0.08682 0.02336 -0.05723 148 2PZ -0.10818 -0.13049 0.05957 -0.00059 -0.05852 149 3S -0.19985 0.99866 -0.65273 -0.30504 0.36026 150 3PX 0.03738 0.54078 -0.17288 -0.23708 0.16450 151 3PY 0.03551 -0.32460 0.41513 0.40575 -0.16576 152 3PZ -0.28032 -0.59517 0.14171 0.16767 -0.11798 153 4XX -0.00335 -0.00432 0.00155 -0.00045 0.00214 154 4YY 0.00222 -0.00163 -0.00471 0.01329 -0.00470 155 4ZZ 0.00379 -0.00206 0.00578 0.00220 0.00599 156 4XY 0.00163 -0.00167 0.00226 0.00332 0.00721 157 4XZ 0.00176 0.00274 -0.00277 -0.00395 -0.00486 158 4YZ 0.00280 0.00451 -0.00288 -0.00227 0.00341 159 15 C 1S -0.01470 0.07279 0.03719 -0.05210 -0.00495 160 2S 0.02752 -0.13640 -0.06406 0.10540 -0.00572 161 2PX 0.02447 -0.08735 -0.06527 0.01454 0.08733 162 2PY 0.00775 -0.09778 -0.08681 0.02337 0.05722 163 2PZ 0.10818 0.13049 0.05956 0.00058 -0.05852 164 3S 0.19992 -0.99870 -0.65263 0.30511 0.36019 165 3PX -0.03737 -0.54079 -0.17281 0.23711 0.16448 166 3PY 0.03554 -0.32463 -0.41507 0.40580 0.16573 167 3PZ 0.28030 0.59517 0.14166 -0.16769 -0.11794 168 4XX 0.00334 0.00432 0.00155 0.00045 0.00214 169 4YY -0.00222 0.00163 -0.00471 -0.01329 -0.00470 170 4ZZ -0.00379 0.00206 0.00578 -0.00220 0.00599 171 4XY 0.00163 -0.00167 -0.00226 0.00332 -0.00721 172 4XZ -0.00176 -0.00275 -0.00277 0.00395 -0.00486 173 4YZ 0.00281 0.00451 0.00288 -0.00227 -0.00341 174 16 C 1S 0.00734 0.00069 -0.08299 0.08104 -0.00909 175 2S 0.00780 0.02053 0.12237 -0.14072 0.02409 176 2PX -0.08096 0.04830 -0.03184 0.02076 -0.01807 177 2PY -0.07019 -0.15076 0.10073 -0.14749 -0.01351 178 2PZ -0.09473 -0.02290 0.07262 -0.07278 -0.03850 179 3S -0.33958 -0.47313 1.21569 -1.19136 -0.01396 180 3PX -0.28175 0.13394 -0.13420 0.11739 -0.30868 181 3PY -0.08596 -0.18680 0.42884 -0.65422 0.04654 182 3PZ -0.16283 -0.15413 0.23523 -0.23221 -0.15154 183 4XX 0.00554 -0.00055 -0.00256 0.00945 -0.00507 184 4YY -0.00013 0.00104 -0.01326 -0.00582 0.00115 185 4ZZ -0.00959 -0.00313 -0.00166 0.00897 -0.00063 186 4XY -0.00680 0.00070 -0.00773 -0.00451 -0.01056 187 4XZ -0.01050 0.00948 0.00342 -0.00311 0.00841 188 4YZ -0.00389 -0.00207 0.00988 0.00187 -0.01135 189 17 H 1S -0.00432 0.00465 -0.06321 -0.02491 -0.00570 190 2S -0.24661 -0.52826 -1.17304 -1.34035 -0.05600 191 18 H 1S 0.01593 -0.03643 0.02329 0.04095 -0.00724 192 2S -0.06086 -1.44129 0.82662 0.68835 -0.48980 193 19 H 1S -0.01594 0.03643 0.02329 -0.04095 -0.00723 194 2S 0.06078 1.44133 0.82645 -0.68845 -0.48970 195 20 H 1S 0.00432 -0.00466 -0.06320 0.02491 -0.00569 196 2S 0.24660 0.52818 -1.17294 1.34046 -0.05592 197 21 C 1S 0.00000 0.00000 0.08663 0.00000 0.02973 198 2S 0.00000 -0.00001 -0.13080 0.00000 -0.05464 199 2PX -0.00001 0.00000 -0.00618 0.00001 0.40720 200 2PY 0.01512 -0.01949 0.00000 0.08923 0.00000 201 2PZ -0.00001 0.00000 0.07714 -0.00001 0.01162 202 3S -0.00007 -0.00006 -1.06130 0.00002 -0.48776 203 3PX -0.00003 0.00000 0.03694 0.00002 1.43372 204 3PY 0.09941 0.06147 0.00002 0.53008 -0.00003 205 3PZ -0.00004 0.00000 0.05594 -0.00001 0.04880 206 4XX 0.00000 0.00000 0.00129 0.00000 0.00669 207 4YY 0.00000 0.00000 0.02099 0.00000 -0.00288 208 4ZZ 0.00000 0.00000 -0.00252 0.00000 -0.00227 209 4XY -0.01213 0.00989 0.00000 -0.00807 0.00000 210 4XZ 0.00000 0.00000 -0.00338 0.00000 -0.00574 211 4YZ -0.00749 -0.01180 0.00000 0.01190 0.00000 212 22 H 1S 0.00000 0.00000 0.02339 0.00000 0.07511 213 2S 0.00001 0.00003 0.47273 0.00002 1.89927 214 23 H 1S 0.00000 0.00000 -0.01540 0.00000 -0.03502 215 2S 0.00009 0.00002 0.28600 -0.00002 -0.91281 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 -0.07486 0.04666 -0.02315 0.01844 0.02775 2 2S 0.16110 -0.06446 0.02665 -0.03428 -0.05147 3 2PX -0.15528 -0.10498 -0.02016 0.00834 -0.07759 4 2PY 0.09743 -0.07502 0.00058 0.00623 -0.00742 5 2PZ 0.03092 0.10297 0.06688 -0.09174 0.02699 6 3S 0.58494 -0.81876 0.43922 -0.40477 -0.49485 7 3PX -0.89842 -0.39954 -0.10171 0.13408 -0.33127 8 3PY 0.58977 -0.38037 -0.00719 0.05106 -0.19627 9 3PZ 0.49295 0.31827 0.22737 -0.22789 0.23131 10 4XX 0.00021 0.00761 -0.00261 -0.00155 0.01159 11 4YY -0.00980 -0.01067 -0.00814 0.00591 -0.00959 12 4ZZ -0.00393 0.00921 0.00383 -0.00553 0.00173 13 4XY -0.00758 0.02133 -0.00334 0.00207 0.01407 14 4XZ 0.00784 -0.01168 -0.00131 0.00482 -0.00626 15 4YZ 0.00283 -0.01608 0.00269 -0.00453 -0.00766 16 2 H 1S -0.05951 -0.03166 -0.00969 -0.00407 -0.01643 17 2S -1.58536 -0.00709 -0.39491 0.36426 -0.08097 18 3 C 1S 0.07486 0.04665 0.02316 -0.01844 0.02775 19 2S -0.16107 -0.06445 -0.02665 0.03428 -0.05147 20 2PX 0.15530 -0.10498 0.02015 -0.00833 -0.07759 21 2PY 0.09744 0.07502 0.00059 0.00623 0.00742 22 2PZ -0.03090 0.10298 -0.06687 0.09174 0.02699 23 3S -0.58502 -0.81871 -0.43929 0.40479 -0.49483 24 3PX 0.89842 -0.39956 0.10167 -0.13406 -0.33129 25 3PY 0.58976 0.38037 -0.00715 0.05105 0.19630 26 3PZ -0.49293 0.31830 -0.22734 0.22788 0.23133 27 4XX -0.00021 0.00761 0.00261 0.00155 0.01159 28 4YY 0.00981 -0.01067 0.00814 -0.00591 -0.00959 29 4ZZ 0.00393 0.00921 -0.00383 0.00553 0.00173 30 4XY -0.00758 -0.02133 -0.00334 0.00207 -0.01407 31 4XZ -0.00784 -0.01168 0.00131 -0.00482 -0.00626 32 4YZ 0.00283 0.01608 0.00269 -0.00453 0.00766 33 4 H 1S 0.05952 -0.03166 0.00969 0.00407 -0.01643 34 2S 1.58536 -0.00716 0.39491 -0.36425 -0.08100 35 5 C 1S -0.01967 -0.10312 0.00129 -0.00647 -0.05494 36 2S 0.07945 0.14531 0.00142 0.02385 0.10514 37 2PX -0.10609 -0.02723 0.01528 0.00068 -0.00155 38 2PY 0.08910 0.16137 -0.01015 0.03667 0.10190 39 2PZ -0.03213 0.00866 0.11461 -0.08196 0.05718 40 3S -0.12835 1.76602 0.04080 0.00758 0.76931 41 3PX -0.12540 -0.05532 0.10453 -0.07721 -0.01839 42 3PY -0.32307 0.37170 0.07237 -0.07624 0.60429 43 3PZ -0.12611 0.05603 0.15534 -0.16982 0.12243 44 4XX -0.00892 -0.00643 -0.00055 -0.00050 -0.00526 45 4YY 0.01064 -0.01101 0.00063 0.00577 -0.00800 46 4ZZ -0.00305 -0.00013 0.00286 -0.00417 0.00067 47 4XY 0.00114 -0.00157 0.00139 0.00131 -0.00114 48 4XZ 0.01162 0.01505 -0.00331 0.00497 0.00180 49 4YZ 0.00066 -0.00255 -0.00105 0.00319 -0.00066 50 6 C 1S 0.00350 0.05054 -0.04582 0.04989 0.01342 51 2S -0.03509 -0.07478 0.07532 -0.07329 -0.02677 52 2PX 0.10019 0.11036 -0.00437 0.01027 0.05750 53 2PY 0.05337 0.07125 -0.00141 0.04416 0.00413 54 2PZ 0.07722 -0.04000 -0.15003 0.19283 -0.09272 55 3S 0.32479 -0.82648 0.71075 -0.75983 -0.16079 56 3PX 0.02524 0.35057 0.19547 -0.27506 0.32751 57 3PY 0.33534 0.35594 0.00374 0.23671 0.00128 58 3PZ 0.29458 -0.23268 -0.58440 0.68622 -0.24417 59 4XX 0.00907 0.01568 -0.00532 0.00708 0.00588 60 4YY -0.00531 -0.01173 -0.01071 0.00703 -0.00628 61 4ZZ -0.00245 0.00309 0.00727 -0.00309 0.00285 62 4XY -0.00590 0.01578 0.00045 0.00059 0.00395 63 4XZ -0.00686 -0.00741 -0.00209 -0.00133 -0.00756 64 4YZ -0.00134 -0.01545 0.00625 -0.00787 -0.00749 65 7 H 1S 0.01831 -0.02341 -0.00483 0.02684 -0.00864 66 2S 0.29101 0.15416 -0.85439 1.17952 -0.31475 67 8 C 1S -0.00350 0.05054 0.04582 -0.04989 0.01342 68 2S 0.03509 -0.07477 -0.07533 0.07329 -0.02677 69 2PX -0.10018 0.11036 0.00438 -0.01026 0.05750 70 2PY 0.05338 -0.07125 -0.00142 0.04416 -0.00413 71 2PZ -0.07723 -0.04001 0.15002 -0.19282 -0.09273 72 3S -0.32475 -0.82641 -0.71084 0.75984 -0.16076 73 3PX -0.02518 0.35057 -0.19545 0.27505 0.32753 74 3PY 0.33537 -0.35595 0.00371 0.23670 -0.00126 75 3PZ -0.29462 -0.23274 0.58437 -0.68620 -0.24420 76 4XX -0.00907 0.01567 0.00532 -0.00708 0.00588 77 4YY 0.00531 -0.01173 0.01071 -0.00703 -0.00628 78 4ZZ 0.00245 0.00309 -0.00727 0.00309 0.00285 79 4XY -0.00590 -0.01578 0.00045 0.00059 -0.00395 80 4XZ 0.00686 -0.00741 0.00208 0.00133 -0.00756 81 4YZ -0.00134 0.01545 0.00625 -0.00787 0.00749 82 9 H 1S -0.01831 -0.02341 0.00483 -0.02684 -0.00864 83 2S -0.29110 0.15408 0.85442 -1.17951 -0.31482 84 10 C 1S 0.01966 -0.10312 -0.00130 0.00647 -0.05493 85 2S -0.07943 0.14531 -0.00140 -0.02386 0.10514 86 2PX 0.10610 -0.02724 -0.01528 -0.00067 -0.00155 87 2PY 0.08909 -0.16137 -0.01016 0.03668 -0.10190 88 2PZ 0.03214 0.00867 -0.11461 0.08196 0.05719 89 3S 0.12836 1.76602 -0.04063 -0.00761 0.76930 90 3PX 0.12540 -0.05533 -0.10453 0.07720 -0.01839 91 3PY -0.32318 -0.37171 0.07234 -0.07621 -0.60428 92 3PZ 0.12613 0.05604 -0.15533 0.16981 0.12243 93 4XX 0.00892 -0.00643 0.00055 0.00050 -0.00525 94 4YY -0.01064 -0.01101 -0.00063 -0.00577 -0.00800 95 4ZZ 0.00305 -0.00013 -0.00286 0.00417 0.00067 96 4XY 0.00114 0.00157 0.00139 0.00131 0.00114 97 4XZ -0.01162 0.01505 0.00331 -0.00497 0.00180 98 4YZ 0.00066 0.00255 -0.00105 0.00319 0.00066 99 11 O 1S 0.00470 0.01436 -0.00282 0.00160 -0.01003 100 2S 0.01128 -0.02188 -0.00146 -0.00030 0.00087 101 2PX 0.07923 -0.00367 0.00823 -0.01892 0.00327 102 2PY 0.01129 -0.07592 0.00745 0.00785 -0.02662 103 2PZ 0.01082 -0.00541 -0.08016 0.06626 -0.00570 104 3S -0.19009 -0.19959 0.06696 -0.05638 0.26535 105 3PX 0.05713 0.01041 -0.01543 0.00992 0.01317 106 3PY -0.04043 -0.15261 0.02728 -0.01663 0.05925 107 3PZ 0.03130 -0.01148 -0.07377 0.06811 -0.01865 108 4XX 0.00562 0.00267 -0.00312 0.00080 -0.01061 109 4YY 0.00313 0.00276 -0.00187 -0.00194 0.00389 110 4ZZ 0.00749 0.00689 -0.00284 0.00147 -0.00892 111 4XY -0.00299 -0.00120 0.00001 -0.00068 0.00177 112 4XZ -0.00202 0.00788 0.00193 -0.00023 0.00216 113 4YZ -0.00140 -0.00154 0.00323 -0.00222 0.00207 114 12 O 1S -0.00470 0.01436 0.00282 -0.00160 -0.01003 115 2S -0.01129 -0.02188 0.00146 0.00030 0.00087 116 2PX -0.07923 -0.00366 -0.00823 0.01892 0.00327 117 2PY 0.01129 0.07592 0.00746 0.00784 0.02663 118 2PZ -0.01083 -0.00542 0.08016 -0.06626 -0.00570 119 3S 0.19018 -0.19958 -0.06698 0.05636 0.26535 120 3PX -0.05713 0.01042 0.01543 -0.00992 0.01316 121 3PY -0.04045 0.15261 0.02729 -0.01662 -0.05925 122 3PZ -0.03131 -0.01148 0.07377 -0.06811 -0.01866 123 4XX -0.00563 0.00267 0.00312 -0.00080 -0.01061 124 4YY -0.00313 0.00276 0.00187 0.00194 0.00389 125 4ZZ -0.00749 0.00689 0.00284 -0.00147 -0.00892 126 4XY -0.00299 0.00120 0.00001 -0.00068 -0.00177 127 4XZ 0.00202 0.00788 -0.00193 0.00023 0.00216 128 4YZ -0.00140 0.00154 0.00323 -0.00222 -0.00207 129 13 C 1S -0.00503 0.00014 -0.03731 -0.03488 -0.00090 130 2S -0.00210 -0.01406 0.06337 0.02273 0.02507 131 2PX 0.00798 -0.08600 0.00707 -0.01744 0.13016 132 2PY -0.07427 0.04599 0.17757 0.11196 -0.10215 133 2PZ 0.04479 0.05150 0.07619 0.14917 -0.14908 134 3S 0.19798 0.01260 0.66020 0.85395 -0.05676 135 3PX 0.05068 -0.44151 -0.03658 0.04192 0.68205 136 3PY -0.22227 0.26617 0.59711 0.42548 -0.65402 137 3PZ 0.07760 0.32552 0.31562 0.27217 -0.68199 138 4XX 0.00015 0.00311 -0.00779 -0.00230 -0.00711 139 4YY -0.00188 -0.00757 0.00860 0.00255 0.01689 140 4ZZ 0.00231 0.00475 -0.00672 -0.00713 -0.00944 141 4XY -0.00285 0.00478 0.01100 0.01062 -0.01103 142 4XZ 0.00421 -0.00578 0.00239 0.00719 0.01167 143 4YZ -0.00003 -0.00640 -0.01417 -0.00818 0.01175 144 14 C 1S -0.00471 -0.01832 -0.02133 -0.04232 0.04283 145 2S -0.00970 -0.00780 0.05228 0.05414 -0.08298 146 2PX 0.04232 -0.00517 -0.05960 0.06563 0.07793 147 2PY -0.01699 -0.06417 0.12047 0.09635 0.07727 148 2PZ -0.02524 0.07963 -0.07318 -0.05017 -0.07048 149 3S 0.17795 0.52568 0.37404 0.67454 -0.87483 150 3PX 0.06884 -0.12896 0.07567 0.29866 0.30307 151 3PY -0.01302 -0.20418 0.51167 0.37163 0.42021 152 3PZ -0.11976 0.13547 -0.21961 -0.42533 -0.20098 153 4XX -0.00374 0.00246 0.00837 -0.00138 0.00381 154 4YY 0.00107 -0.00607 -0.01755 -0.02212 -0.00307 155 4ZZ -0.00009 -0.00457 0.00919 0.01055 0.00227 156 4XY -0.00071 -0.00720 -0.00394 -0.00727 0.01812 157 4XZ 0.00286 0.00672 -0.01255 -0.00321 -0.00026 158 4YZ -0.00010 0.00702 0.00516 0.00442 -0.01264 159 15 C 1S 0.00471 -0.01833 0.02133 0.04231 0.04283 160 2S 0.00970 -0.00779 -0.05228 -0.05414 -0.08299 161 2PX -0.04236 -0.00517 0.05960 -0.06564 0.07792 162 2PY -0.01701 0.06416 0.12048 0.09635 -0.07726 163 2PZ 0.02526 0.07962 0.07319 0.05017 -0.07048 164 3S -0.17806 0.52571 -0.37398 -0.67451 -0.87486 165 3PX -0.06890 -0.12894 -0.07567 -0.29867 0.30304 166 3PY -0.01307 0.20413 0.51169 0.37165 -0.42020 167 3PZ 0.11980 0.13545 0.21962 0.42533 -0.20096 168 4XX 0.00374 0.00246 -0.00837 0.00138 0.00381 169 4YY -0.00107 -0.00607 0.01754 0.02212 -0.00307 170 4ZZ 0.00009 -0.00456 -0.00919 -0.01055 0.00227 171 4XY -0.00071 0.00720 -0.00394 -0.00726 -0.01812 172 4XZ -0.00286 0.00672 0.01256 0.00321 -0.00026 173 4YZ -0.00010 -0.00702 0.00515 0.00442 0.01264 174 16 C 1S 0.00504 0.00013 0.03731 0.03488 -0.00089 175 2S 0.00209 -0.01405 -0.06337 -0.02273 0.02507 176 2PX -0.00797 -0.08600 -0.00708 0.01744 0.13016 177 2PY -0.07427 -0.04601 0.17757 0.11196 0.10215 178 2PZ -0.04477 0.05151 -0.07619 -0.14917 -0.14909 179 3S -0.19800 0.01269 -0.66019 -0.85394 -0.05681 180 3PX -0.05057 -0.44152 0.03653 -0.04195 0.68205 181 3PY -0.22229 -0.26622 0.59708 0.42544 0.65405 182 3PZ -0.07754 0.32555 -0.31559 -0.27213 -0.68200 183 4XX -0.00015 0.00311 0.00779 0.00230 -0.00711 184 4YY 0.00188 -0.00756 -0.00860 -0.00255 0.01689 185 4ZZ -0.00231 0.00475 0.00672 0.00713 -0.00944 186 4XY -0.00284 -0.00479 0.01100 0.01061 0.01103 187 4XZ -0.00421 -0.00578 -0.00239 -0.00719 0.01167 188 4YZ -0.00002 0.00640 -0.01417 -0.00818 -0.01175 189 17 H 1S -0.01677 -0.01440 0.07980 0.04192 0.03588 190 2S -0.35842 0.08366 0.44153 0.14882 -0.25660 191 18 H 1S -0.01267 0.01143 0.05891 -0.00201 -0.06235 192 2S -0.22896 -0.08194 0.11140 -0.43478 0.15250 193 19 H 1S 0.01267 0.01144 -0.05891 0.00201 -0.06235 194 2S 0.22912 -0.08193 -0.11142 0.43477 0.15253 195 20 H 1S 0.01677 -0.01439 -0.07980 -0.04192 0.03588 196 2S 0.35846 0.08369 -0.44152 -0.14880 -0.25662 197 21 C 1S -0.00001 0.02651 0.00000 0.00000 -0.06384 198 2S 0.00001 -0.00938 0.00000 0.00000 0.04526 199 2PX -0.00007 -0.00162 0.00001 0.00000 0.04466 200 2PY 0.00349 -0.00001 0.23477 0.20614 0.00000 201 2PZ 0.00000 0.11193 0.00001 0.00001 -0.18918 202 3S 0.00010 -0.66064 -0.00004 -0.00004 1.49240 203 3PX -0.00026 -0.01611 0.00002 0.00000 0.28213 204 3PY 0.00434 -0.00005 0.96164 0.90389 0.00002 205 3PZ -0.00001 0.56068 0.00003 0.00003 -1.08940 206 4XX 0.00000 -0.00858 0.00000 0.00000 0.01916 207 4YY 0.00000 0.01247 0.00000 0.00000 -0.02696 208 4ZZ 0.00000 0.00172 0.00000 0.00000 -0.00044 209 4XY -0.00182 0.00000 -0.01324 -0.01374 0.00000 210 4XZ 0.00000 -0.00030 0.00000 0.00000 -0.00212 211 4YZ -0.00256 0.00000 0.01854 0.01894 0.00000 212 22 H 1S -0.00001 -0.05217 0.00000 0.00000 0.10394 213 2S -0.00035 -0.06301 0.00002 -0.00001 0.28149 214 23 H 1S 0.00001 -0.02493 0.00000 0.00000 0.04907 215 2S 0.00016 -0.28703 -0.00003 -0.00001 0.30645 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 0.01627 0.00503 0.02453 0.03473 0.00634 2 2S -0.06663 0.03807 -0.01617 -0.03656 -0.09752 3 2PX 0.06993 0.01725 -0.04612 -0.02213 -0.13829 4 2PY 0.13369 -0.01323 0.07353 -0.12542 -0.06496 5 2PZ -0.02142 0.01228 -0.00855 0.03243 0.07496 6 3S -0.07895 -0.16712 -0.82237 -1.05203 0.67725 7 3PX 0.74214 -0.06990 -0.49790 -0.01394 -0.17270 8 3PY 0.52276 -0.05068 -0.28343 -0.73021 -0.65302 9 3PZ -0.46583 0.04120 0.38407 0.06188 0.24261 10 4XX -0.01804 0.00444 0.01424 -0.00890 -0.00827 11 4YY 0.02353 0.00610 -0.00947 0.00676 -0.01172 12 4ZZ -0.00791 0.00046 0.00635 -0.00094 0.00014 13 4XY 0.00473 0.00518 0.00428 0.03486 -0.00780 14 4XZ 0.01220 -0.00831 -0.01545 0.00557 0.00047 15 4YZ -0.00158 -0.00100 -0.00394 -0.02813 0.00280 16 2 H 1S -0.06403 0.00231 0.01293 -0.12396 0.00918 17 2S 0.27396 0.01333 -0.17943 0.52304 -0.15941 18 3 C 1S -0.01627 0.00503 0.02453 0.03473 -0.00634 19 2S 0.06663 0.03807 -0.01616 -0.03656 0.09751 20 2PX -0.06992 0.01726 -0.04612 -0.02213 0.13829 21 2PY 0.13369 0.01322 -0.07352 0.12542 -0.06496 22 2PZ 0.02142 0.01227 -0.00855 0.03243 -0.07496 23 3S 0.07899 -0.16713 -0.82237 -1.05199 -0.67726 24 3PX -0.74212 -0.06988 -0.49789 -0.01394 0.17270 25 3PY 0.52276 0.05066 0.28344 0.73025 -0.65301 26 3PZ 0.46582 0.04118 0.38406 0.06189 -0.24262 27 4XX 0.01804 0.00444 0.01424 -0.00890 0.00827 28 4YY -0.02353 0.00610 -0.00947 0.00676 0.01172 29 4ZZ 0.00791 0.00046 0.00635 -0.00094 -0.00014 30 4XY 0.00473 -0.00518 -0.00428 -0.03485 -0.00781 31 4XZ -0.01220 -0.00831 -0.01545 0.00558 -0.00047 32 4YZ -0.00158 0.00100 0.00394 0.02813 0.00280 33 4 H 1S 0.06404 0.00231 0.01293 -0.12395 -0.00919 34 2S -0.27396 0.01335 -0.17942 0.52304 0.15943 35 5 C 1S -0.01128 0.00174 0.03058 -0.01432 0.05017 36 2S 0.01209 0.02927 -0.03124 0.00053 0.03616 37 2PX -0.00750 -0.02433 -0.24314 -0.29377 0.03899 38 2PY 0.15684 0.02490 0.09349 -0.07664 0.02246 39 2PZ 0.03777 0.08927 0.13630 0.20724 0.09379 40 3S 0.58387 -0.10349 -0.73619 0.43753 -1.56876 41 3PX 0.06616 -0.07208 -0.64302 -1.07671 0.02055 42 3PY 1.23719 0.07433 1.34666 -1.15883 0.58877 43 3PZ 0.18516 0.11613 0.63049 0.57959 0.07447 44 4XX -0.01910 -0.00132 -0.00317 0.00644 0.00700 45 4YY 0.02639 0.00692 0.00633 -0.00420 0.00716 46 4ZZ -0.01598 -0.00089 -0.01243 0.00758 0.00249 47 4XY 0.00699 0.00249 0.00405 0.00332 -0.00016 48 4XZ 0.00847 -0.00772 -0.00862 0.00683 -0.02972 49 4YZ 0.00105 -0.00134 -0.00112 -0.00206 0.00272 50 6 C 1S -0.03488 0.00057 -0.03548 -0.04002 -0.00252 51 2S 0.07508 0.01869 0.02441 0.04007 0.06222 52 2PX -0.01162 -0.03047 -0.07099 -0.00011 -0.16065 53 2PY 0.21390 -0.02324 -0.12460 0.01857 -0.07321 54 2PZ -0.01800 0.05927 -0.00971 0.04616 0.02812 55 3S 0.30090 -0.06265 0.90696 1.20348 -0.76371 56 3PX 0.46547 -0.15062 0.00342 -0.61015 -0.31332 57 3PY 0.73192 -0.02064 -0.67049 -0.45185 -1.00096 58 3PZ -0.30716 0.04336 -0.04647 0.37071 0.16144 59 4XX 0.01027 0.00104 -0.00048 -0.01760 -0.00174 60 4YY -0.03441 -0.00164 -0.00902 0.00989 0.00221 61 4ZZ 0.01562 -0.00018 0.00676 0.00109 -0.00223 62 4XY -0.00263 -0.00190 -0.03439 -0.01117 0.00608 63 4XZ -0.01035 0.00131 -0.00940 0.01462 0.00072 64 4YZ 0.00219 0.00780 0.02683 0.01430 0.00067 65 7 H 1S 0.05374 0.02441 0.11556 0.02116 -0.01907 66 2S 0.05197 0.20541 -0.49045 -0.01098 0.02978 67 8 C 1S 0.03488 0.00057 -0.03549 -0.04002 0.00252 68 2S -0.07508 0.01869 0.02441 0.04007 -0.06221 69 2PX 0.01163 -0.03046 -0.07099 -0.00011 0.16065 70 2PY 0.21389 0.02324 0.12460 -0.01856 -0.07322 71 2PZ 0.01800 0.05927 -0.00971 0.04616 -0.02812 72 3S -0.30092 -0.06263 0.90700 1.20341 0.76373 73 3PX -0.46546 -0.15060 0.00345 -0.61014 0.31328 74 3PY 0.73192 0.02061 0.67046 0.45193 -1.00096 75 3PZ 0.30716 0.04335 -0.04645 0.37072 -0.16142 76 4XX -0.01027 0.00104 -0.00048 -0.01760 0.00174 77 4YY 0.03441 -0.00164 -0.00902 0.00989 -0.00221 78 4ZZ -0.01562 -0.00018 0.00676 0.00109 0.00223 79 4XY -0.00263 0.00190 0.03439 0.01117 0.00608 80 4XZ 0.01035 0.00131 -0.00940 0.01462 -0.00072 81 4YZ 0.00219 -0.00780 -0.02683 -0.01430 0.00067 82 9 H 1S -0.05374 0.02442 0.11556 0.02115 0.01907 83 2S -0.05195 0.20541 -0.49045 -0.01098 -0.02977 84 10 C 1S 0.01128 0.00174 0.03058 -0.01432 -0.05017 85 2S -0.01209 0.02926 -0.03124 0.00053 -0.03616 86 2PX 0.00752 -0.02434 -0.24314 -0.29376 -0.03899 87 2PY 0.15684 -0.02490 -0.09348 0.07665 0.02247 88 2PZ -0.03778 0.08927 0.13630 0.20724 -0.09379 89 3S -0.58391 -0.10344 -0.73616 0.43748 1.56879 90 3PX -0.06611 -0.07208 -0.64307 -1.07667 -0.02056 91 3PY 1.23720 -0.07433 -1.34660 1.15885 0.58884 92 3PZ -0.18517 0.11614 0.63048 0.57959 -0.07448 93 4XX 0.01910 -0.00132 -0.00317 0.00644 -0.00699 94 4YY -0.02639 0.00692 0.00633 -0.00420 -0.00716 95 4ZZ 0.01598 -0.00089 -0.01243 0.00758 -0.00249 96 4XY 0.00699 -0.00249 -0.00405 -0.00332 -0.00016 97 4XZ -0.00848 -0.00772 -0.00861 0.00683 0.02972 98 4YZ 0.00105 0.00134 0.00112 0.00206 0.00272 99 11 O 1S -0.05617 -0.00604 -0.06377 0.05179 -0.03605 100 2S 0.09805 0.00731 0.06417 -0.04681 -0.00086 101 2PX 0.01099 0.00273 0.04958 0.06662 -0.01298 102 2PY 0.11814 0.02208 0.09649 -0.07400 0.06745 103 2PZ -0.00757 -0.02139 -0.03324 -0.04628 -0.00562 104 3S 0.89303 0.10039 1.26613 -1.07137 0.87919 105 3PX 0.04460 0.01832 0.20761 0.16654 0.01983 106 3PY 0.37647 0.04894 0.51920 -0.43947 0.36821 107 3PZ -0.00313 -0.03261 -0.07355 -0.17020 0.01176 108 4XX -0.02149 -0.00476 -0.03494 0.02957 -0.02628 109 4YY 0.00524 -0.00235 0.00234 -0.00073 -0.01407 110 4ZZ -0.01892 -0.00207 -0.03778 0.03167 -0.03233 111 4XY 0.00079 -0.00148 -0.00090 -0.00750 0.00387 112 4XZ 0.00744 -0.00094 0.00029 -0.00021 -0.01058 113 4YZ 0.00186 0.00327 0.00428 0.00118 0.00668 114 12 O 1S 0.05617 -0.00604 -0.06377 0.05179 0.03605 115 2S -0.09805 0.00731 0.06416 -0.04682 0.00085 116 2PX -0.01099 0.00273 0.04957 0.06662 0.01299 117 2PY 0.11814 -0.02208 -0.09649 0.07401 0.06746 118 2PZ 0.00757 -0.02139 -0.03324 -0.04628 0.00562 119 3S -0.89302 0.10038 1.26609 -1.07136 -0.87926 120 3PX -0.04459 0.01832 0.20759 0.16654 -0.01982 121 3PY 0.37646 -0.04894 -0.51919 0.43947 0.36824 122 3PZ 0.00313 -0.03261 -0.07355 -0.17020 -0.01176 123 4XX 0.02149 -0.00476 -0.03494 0.02957 0.02628 124 4YY -0.00524 -0.00235 0.00234 -0.00073 0.01407 125 4ZZ 0.01892 -0.00207 -0.03778 0.03167 0.03234 126 4XY 0.00079 0.00148 0.00090 0.00749 0.00386 127 4XZ -0.00744 -0.00094 0.00029 -0.00021 0.01059 128 4YZ 0.00186 -0.00327 -0.00428 -0.00118 0.00668 129 13 C 1S 0.01674 -0.07957 0.01565 -0.00356 -0.03478 130 2S -0.01896 0.03621 0.00342 0.00149 -0.00491 131 2PX -0.05520 0.13404 -0.09963 0.08646 -0.09892 132 2PY 0.02103 0.16174 0.02497 -0.02840 0.13431 133 2PZ -0.06588 -0.08684 0.02374 0.02886 0.03426 134 3S -0.30630 2.45631 -0.46512 -0.00144 1.46038 135 3PX 0.00589 0.68244 -0.16517 0.02154 0.84691 136 3PY 0.14511 1.68609 0.14613 -0.17926 1.15688 137 3PZ -0.03698 -0.20614 0.20201 -0.02562 -0.59626 138 4XX 0.00217 -0.01071 -0.00186 0.00526 -0.01010 139 4YY 0.00272 0.00487 0.00141 -0.00996 0.01178 140 4ZZ 0.00111 -0.00165 0.00669 -0.00270 0.00187 141 4XY -0.00673 -0.00546 0.00479 0.00049 -0.01301 142 4XZ -0.00404 -0.00815 -0.00080 0.00227 -0.00704 143 4YZ -0.00417 -0.00537 -0.00507 0.00612 0.02233 144 14 C 1S 0.00305 0.04146 -0.01358 0.00020 0.06234 145 2S 0.00313 -0.01191 0.04739 0.06473 0.01351 146 2PX 0.01433 0.07736 -0.03190 -0.04309 0.09867 147 2PY -0.00196 -0.07593 0.01388 0.04575 -0.05903 148 2PZ 0.04878 -0.04044 -0.01043 -0.05584 -0.09417 149 3S -0.21934 -1.33483 0.34701 -0.10959 -2.90024 150 3PX 0.04912 1.01289 -0.17864 -0.04952 1.22174 151 3PY -0.25246 0.20658 -0.20204 0.03493 -1.48823 152 3PZ 0.06859 -0.76863 0.12884 0.01153 -1.01366 153 4XX 0.00556 0.02545 0.00071 -0.00806 -0.00306 154 4YY -0.00270 -0.01917 0.00819 0.01233 -0.00022 155 4ZZ -0.00382 0.00061 -0.00246 0.00828 -0.00065 156 4XY -0.00060 0.00833 -0.01021 0.00434 -0.00752 157 4XZ 0.00683 -0.01547 0.00016 -0.01220 0.01307 158 4YZ -0.00162 -0.01578 0.01058 -0.00590 0.00793 159 15 C 1S -0.00305 0.04146 -0.01359 0.00020 -0.06235 160 2S -0.00313 -0.01191 0.04739 0.06473 -0.01351 161 2PX -0.01433 0.07736 -0.03190 -0.04309 -0.09867 162 2PY -0.00196 0.07593 -0.01388 -0.04575 -0.05903 163 2PZ -0.04878 -0.04043 -0.01043 -0.05585 0.09417 164 3S 0.21934 -1.33477 0.34708 -0.10969 2.90027 165 3PX -0.04911 1.01286 -0.17866 -0.04947 -1.22176 166 3PY -0.25245 -0.20661 0.20201 -0.03489 -1.48822 167 3PZ -0.06859 -0.76862 0.12887 0.01148 1.01369 168 4XX -0.00556 0.02545 0.00071 -0.00806 0.00306 169 4YY 0.00269 -0.01917 0.00819 0.01233 0.00022 170 4ZZ 0.00382 0.00061 -0.00246 0.00828 0.00065 171 4XY -0.00060 -0.00833 0.01021 -0.00434 -0.00752 172 4XZ -0.00683 -0.01547 0.00016 -0.01220 -0.01307 173 4YZ -0.00162 0.01578 -0.01058 0.00590 0.00793 174 16 C 1S -0.01674 -0.07957 0.01565 -0.00356 0.03478 175 2S 0.01896 0.03621 0.00342 0.00149 0.00491 176 2PX 0.05519 0.13404 -0.09963 0.08646 0.09892 177 2PY 0.02102 -0.16174 -0.02497 0.02840 0.13431 178 2PZ 0.06588 -0.08684 0.02374 0.02887 -0.03425 179 3S 0.30634 2.45629 -0.46516 -0.00137 -1.46043 180 3PX -0.00590 0.68242 -0.16518 0.02158 -0.84692 181 3PY 0.14508 -1.68608 -0.14610 0.17922 1.15694 182 3PZ 0.03700 -0.20612 0.20203 -0.02565 0.59626 183 4XX -0.00217 -0.01071 -0.00186 0.00526 0.01010 184 4YY -0.00272 0.00487 0.00141 -0.00996 -0.01178 185 4ZZ -0.00111 -0.00165 0.00669 -0.00270 -0.00187 186 4XY -0.00673 0.00546 -0.00479 -0.00049 -0.01301 187 4XZ 0.00404 -0.00815 -0.00080 0.00227 0.00704 188 4YZ -0.00417 0.00537 0.00507 -0.00612 0.02233 189 17 H 1S 0.02335 -0.00005 0.01863 -0.04654 -0.00175 190 2S 0.31470 0.81110 0.24045 -0.17684 0.73473 191 18 H 1S -0.02432 -0.02286 0.04984 0.01438 0.00802 192 2S -0.03049 -0.45311 -0.02978 0.07790 -0.96519 193 19 H 1S 0.02432 -0.02286 0.04984 0.01438 -0.00802 194 2S 0.03048 -0.45309 -0.02977 0.07786 0.96521 195 20 H 1S -0.02335 -0.00005 0.01863 -0.04654 0.00175 196 2S -0.31470 0.81110 0.24045 -0.17683 -0.73477 197 21 C 1S 0.00000 0.06604 0.01791 -0.00953 0.00000 198 2S 0.00000 0.05007 -0.05721 -0.00735 0.00000 199 2PX 0.00000 -0.03235 0.07814 -0.04111 0.00000 200 2PY -0.02732 0.00000 0.00000 0.00000 -0.19964 201 2PZ 0.00000 0.09254 0.03750 -0.00443 0.00000 202 3S -0.00003 -2.22491 -0.23778 0.22341 0.00004 203 3PX -0.00001 -0.96544 0.13660 0.00327 0.00002 204 3PY -0.10079 0.00000 0.00000 -0.00001 0.49377 205 3PZ 0.00002 1.67988 0.11755 -0.21941 -0.00003 206 4XX 0.00000 -0.01182 -0.00281 0.00247 0.00000 207 4YY 0.00000 -0.00324 0.00358 0.00096 0.00000 208 4ZZ 0.00000 0.02348 -0.00177 -0.00995 0.00000 209 4XY 0.01298 0.00000 0.00000 0.00000 -0.01202 210 4XZ 0.00000 -0.01293 0.00432 -0.00008 0.00000 211 4YZ -0.00083 0.00000 0.00000 0.00000 0.02197 212 22 H 1S 0.00000 -0.02312 0.00581 -0.01284 0.00000 213 2S 0.00000 -0.47070 0.20613 -0.02115 0.00001 214 23 H 1S 0.00000 -0.05365 -0.00955 0.00062 0.00000 215 2S 0.00000 -0.16619 -0.16612 0.12278 0.00000 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 -0.06699 -0.00466 0.06021 0.10037 0.00183 2 2S 0.12629 -0.02928 -0.10674 -0.00702 0.20319 3 2PX 0.12079 -0.07253 -0.16676 -0.04270 0.09138 4 2PY -0.15572 -0.11037 -0.00323 0.18688 -0.06194 5 2PZ -0.09076 0.07899 0.14848 0.03277 -0.10157 6 3S 1.36539 0.76259 -0.92487 -3.94930 -0.25522 7 3PX 0.09579 -0.36941 -0.81302 -1.22565 -0.08205 8 3PY -1.27051 -1.09383 0.05550 2.31191 0.06705 9 3PZ -0.12232 0.29695 0.59866 0.86910 0.10433 10 4XX 0.01417 0.00361 0.00434 -0.00555 0.00375 11 4YY -0.03402 -0.01562 0.01215 0.03809 0.03344 12 4ZZ 0.01124 0.00419 -0.00662 -0.00323 0.00032 13 4XY 0.00123 -0.00183 0.00167 0.00224 0.02003 14 4XZ -0.00311 -0.00366 -0.01013 -0.01600 -0.00553 15 4YZ -0.00084 0.00400 0.00370 -0.00493 -0.01406 16 2 H 1S 0.00159 0.02620 0.06410 0.11562 -0.05028 17 2S 0.45216 -0.03325 -0.48674 -0.85268 0.08702 18 3 C 1S 0.06699 0.00466 -0.06021 -0.10037 0.00182 19 2S -0.12628 0.02928 0.10674 0.00700 0.20319 20 2PX -0.12080 0.07253 0.16677 0.04269 0.09139 21 2PY -0.15572 -0.11038 -0.00324 0.18688 0.06195 22 2PZ 0.09076 -0.07899 -0.14848 -0.03277 -0.10158 23 3S -1.36540 -0.76259 0.92488 3.94931 -0.25484 24 3PX -0.09583 0.36938 0.81302 1.22573 -0.08189 25 3PY -1.27050 -1.09384 0.05547 2.31188 -0.06689 26 3PZ 0.12233 -0.29695 -0.59866 -0.86910 0.10422 27 4XX -0.01417 -0.00361 -0.00434 0.00555 0.00375 28 4YY 0.03402 0.01562 -0.01215 -0.03809 0.03343 29 4ZZ -0.01124 -0.00419 0.00662 0.00323 0.00032 30 4XY 0.00123 -0.00183 0.00167 0.00224 -0.02003 31 4XZ 0.00311 0.00366 0.01013 0.01600 -0.00552 32 4YZ -0.00084 0.00400 0.00370 -0.00493 0.01406 33 4 H 1S -0.00159 -0.02620 -0.06410 -0.11561 -0.05030 34 2S -0.45216 0.03325 0.48673 0.85267 0.08711 35 5 C 1S 0.00710 0.06712 0.08853 0.05193 -0.00339 36 2S -0.03741 -0.04023 -0.15357 -0.21816 0.29566 37 2PX -0.14717 -0.03777 0.00458 0.11249 0.03011 38 2PY -0.05073 0.01267 -0.01987 -0.15064 0.09123 39 2PZ 0.09088 0.02311 -0.13707 0.04712 0.03513 40 3S -0.09009 -1.71667 -1.79443 -0.57386 -0.57999 41 3PX -0.15607 0.07775 0.17983 -0.15271 -0.20785 42 3PY -0.55181 0.15338 -0.26691 -2.62191 0.15974 43 3PZ -0.01559 -0.04373 -0.09767 -0.21496 0.05623 44 4XX -0.00105 0.00637 0.00706 -0.03166 0.03130 45 4YY -0.00156 0.01076 0.01232 0.04058 -0.00058 46 4ZZ 0.00261 -0.00460 -0.01329 -0.01354 0.02082 47 4XY 0.02673 0.01170 -0.00462 0.00049 -0.00345 48 4XZ 0.00408 -0.02330 -0.01325 0.02861 -0.04173 49 4YZ -0.01720 -0.00436 0.01073 0.01048 -0.00547 50 6 C 1S -0.08550 -0.04197 -0.02570 -0.07423 -0.00691 51 2S 0.10726 0.09333 0.05437 0.00813 0.16163 52 2PX -0.08131 -0.18519 -0.08468 0.09544 -0.26377 53 2PY 0.17687 0.00755 -0.06498 0.17719 0.14655 54 2PZ 0.11934 0.12391 0.08264 0.05214 -0.01755 55 3S 1.93756 0.42933 0.39032 2.96670 0.18839 56 3PX -0.48164 -0.45062 -0.43629 -1.17640 0.20508 57 3PY 1.46715 0.02734 -0.08343 1.83485 -0.32493 58 3PZ 0.46279 0.42843 0.29371 0.72283 0.15872 59 4XX 0.00432 0.00559 -0.00565 -0.00094 0.02113 60 4YY -0.03001 -0.00624 0.00914 -0.01660 0.03850 61 4ZZ 0.01165 0.00074 0.00303 0.01201 -0.03908 62 4XY -0.00229 0.00324 0.00366 -0.00717 0.00223 63 4XZ 0.00501 0.00372 0.00511 0.00914 -0.01324 64 4YZ -0.00180 -0.00073 0.00075 -0.00351 -0.02772 65 7 H 1S -0.02462 -0.02479 -0.00914 -0.07178 -0.07407 66 2S 0.57646 0.37978 0.17688 0.62820 0.06201 67 8 C 1S 0.08550 0.04197 0.02570 0.07423 -0.00690 68 2S -0.10726 -0.09333 -0.05437 -0.00815 0.16163 69 2PX 0.08131 0.18519 0.08468 -0.09540 -0.26379 70 2PY 0.17687 0.00755 -0.06498 0.17721 -0.14651 71 2PZ -0.11934 -0.12391 -0.08264 -0.05214 -0.01757 72 3S -1.93756 -0.42935 -0.39037 -2.96672 0.18811 73 3PX 0.48166 0.45063 0.43630 1.17640 0.20516 74 3PY 1.46714 0.02732 -0.08346 1.83479 0.32517 75 3PZ -0.46281 -0.42843 -0.29372 -0.72286 0.15869 76 4XX -0.00432 -0.00559 0.00565 0.00094 0.02113 77 4YY 0.03001 0.00624 -0.00914 0.01660 0.03850 78 4ZZ -0.01165 -0.00074 -0.00303 -0.01200 -0.03908 79 4XY -0.00229 0.00324 0.00366 -0.00717 -0.00223 80 4XZ -0.00501 -0.00372 -0.00511 -0.00914 -0.01324 81 4YZ -0.00180 -0.00073 0.00075 -0.00352 0.02771 82 9 H 1S 0.02462 0.02479 0.00913 0.07179 -0.07406 83 2S -0.57647 -0.37978 -0.17688 -0.62821 0.06194 84 10 C 1S -0.00710 -0.06712 -0.08853 -0.05193 -0.00339 85 2S 0.03741 0.04023 0.15357 0.21813 0.29569 86 2PX 0.14716 0.03777 -0.00458 -0.11250 0.03008 87 2PY -0.05074 0.01266 -0.01987 -0.15063 -0.09125 88 2PZ -0.09088 -0.02311 0.13706 -0.04714 0.03513 89 3S 0.09008 1.71667 1.79446 0.57390 -0.57995 90 3PX 0.15605 -0.07774 -0.17981 0.15266 -0.20789 91 3PY -0.55184 0.15337 -0.26693 -2.62190 -0.15999 92 3PZ 0.01560 0.04372 0.09766 0.21497 0.05630 93 4XX 0.00105 -0.00636 -0.00706 0.03166 0.03131 94 4YY 0.00156 -0.01076 -0.01232 -0.04058 -0.00059 95 4ZZ -0.00261 0.00460 0.01329 0.01354 0.02082 96 4XY 0.02673 0.01170 -0.00462 0.00048 0.00345 97 4XZ -0.00408 0.02330 0.01325 -0.02861 -0.04173 98 4YZ -0.01720 -0.00436 0.01073 0.01048 0.00547 99 11 O 1S 0.01822 -0.03026 -0.02724 0.04388 -0.00793 100 2S -0.01273 0.03292 0.06755 0.06095 -0.04078 101 2PX 0.13243 0.05155 -0.00839 -0.00399 -0.00923 102 2PY -0.01610 0.07819 0.10643 0.10066 -0.04024 103 2PZ -0.08252 -0.01980 0.02275 0.04285 -0.00585 104 3S -0.41471 0.58753 0.32832 -1.66913 0.33700 105 3PX 0.10959 0.05466 -0.01929 -0.09444 0.04623 106 3PY -0.15981 0.29992 0.25095 -0.52480 0.13171 107 3PZ -0.08384 0.00264 0.05300 -0.03157 -0.00005 108 4XX 0.00704 -0.01179 0.00266 0.04916 -0.01794 109 4YY 0.00031 -0.00680 -0.00122 -0.00366 -0.00658 110 4ZZ 0.01620 -0.01573 -0.00409 0.06016 -0.02585 111 4XY -0.01358 -0.00343 0.00067 0.00095 0.00567 112 4XZ 0.00003 -0.01170 -0.00657 0.01029 -0.00943 113 4YZ 0.00722 0.00495 -0.00709 -0.00482 0.00380 114 12 O 1S -0.01822 0.03026 0.02724 -0.04388 -0.00794 115 2S 0.01274 -0.03292 -0.06755 -0.06094 -0.04079 116 2PX -0.13243 -0.05154 0.00839 0.00400 -0.00923 117 2PY -0.01610 0.07820 0.10643 0.10066 0.04025 118 2PZ 0.08252 0.01980 -0.02275 -0.04284 -0.00586 119 3S 0.41474 -0.58752 -0.32831 1.66911 0.33717 120 3PX -0.10959 -0.05465 0.01929 0.09442 0.04625 121 3PY -0.15982 0.29992 0.25094 -0.52479 -0.13176 122 3PZ 0.08384 -0.00263 -0.05300 0.03157 -0.00005 123 4XX -0.00704 0.01179 -0.00266 -0.04916 -0.01795 124 4YY -0.00030 0.00680 0.00122 0.00367 -0.00658 125 4ZZ -0.01620 0.01573 0.00409 -0.06015 -0.02586 126 4XY -0.01358 -0.00343 0.00067 0.00095 -0.00567 127 4XZ -0.00003 0.01170 0.00657 -0.01029 -0.00943 128 4YZ 0.00722 0.00495 -0.00709 -0.00482 -0.00380 129 13 C 1S -0.00017 0.01701 0.03391 -0.02705 -0.00949 130 2S -0.02659 -0.00245 0.00202 -0.01382 0.02311 131 2PX -0.03573 0.07222 -0.08024 0.15240 -0.27912 132 2PY 0.00624 -0.10131 0.00158 -0.03390 0.10424 133 2PZ 0.05917 -0.19765 0.14156 -0.04539 0.08923 134 3S 0.01841 -0.38538 -1.38105 0.87158 0.07048 135 3PX -0.15124 0.40562 -1.13138 0.42566 0.26911 136 3PY 0.23220 -0.68846 -0.28310 0.20327 0.10651 137 3PZ 0.22973 -0.50908 1.04778 -0.55608 -0.09401 138 4XX 0.00666 -0.00532 0.02036 -0.00362 -0.02002 139 4YY -0.00563 0.00351 -0.01067 -0.00336 0.01417 140 4ZZ -0.00345 0.00438 -0.00398 -0.00729 0.01807 141 4XY -0.01228 0.00955 0.00551 -0.01056 -0.01010 142 4XZ 0.00034 0.00556 -0.01042 0.01159 0.01354 143 4YZ -0.00358 -0.00917 -0.01782 0.00585 0.01886 144 14 C 1S 0.01817 -0.04884 -0.03266 0.03234 -0.00383 145 2S -0.01965 0.02652 0.02575 -0.02836 -0.16971 146 2PX -0.02318 0.05911 -0.16494 0.05329 0.12868 147 2PY -0.09314 0.19696 -0.15450 -0.00844 0.11682 148 2PZ -0.01060 0.03742 0.09690 -0.10198 -0.07676 149 3S -0.67455 1.76892 1.20286 -0.89651 0.16744 150 3PX -0.10128 0.08351 -1.34898 0.68699 -0.14364 151 3PY -0.89467 2.07399 -0.59275 0.06514 -0.19070 152 3PZ 0.01306 0.03494 0.91171 -0.45675 0.11454 153 4XX -0.00712 0.01367 -0.01145 -0.00296 -0.01492 154 4YY 0.00719 -0.01528 0.01448 0.00898 -0.00597 155 4ZZ -0.00124 -0.00070 0.00033 0.00133 -0.01771 156 4XY -0.00038 0.00244 0.00160 0.00089 0.00379 157 4XZ 0.00630 -0.00715 0.00039 -0.01270 0.03293 158 4YZ -0.00069 -0.00360 -0.00180 -0.00152 0.00800 159 15 C 1S -0.01817 0.04884 0.03267 -0.03234 -0.00384 160 2S 0.01965 -0.02652 -0.02575 0.02839 -0.16970 161 2PX 0.02318 -0.05911 0.16494 -0.05331 0.12867 162 2PY -0.09314 0.19696 -0.15449 -0.00843 -0.11682 163 2PZ 0.01060 -0.03742 -0.09690 0.10199 -0.07675 164 3S 0.67455 -1.76892 -1.20288 0.89648 0.16754 165 3PX 0.10128 -0.08351 1.34899 -0.68696 -0.14370 166 3PY -0.89466 2.07399 -0.59277 0.06513 0.19069 167 3PZ -0.01305 -0.03494 -0.91172 0.45674 0.11459 168 4XX 0.00712 -0.01367 0.01145 0.00296 -0.01492 169 4YY -0.00719 0.01528 -0.01448 -0.00898 -0.00597 170 4ZZ 0.00124 0.00070 -0.00033 -0.00132 -0.01771 171 4XY -0.00038 0.00244 0.00160 0.00089 -0.00379 172 4XZ -0.00630 0.00715 -0.00039 0.01270 0.03293 173 4YZ -0.00069 -0.00360 -0.00180 -0.00152 -0.00800 174 16 C 1S 0.00017 -0.01701 -0.03391 0.02705 -0.00949 175 2S 0.02659 0.00245 -0.00202 0.01382 0.02312 176 2PX 0.03573 -0.07222 0.08024 -0.15238 -0.27914 177 2PY 0.00624 -0.10131 0.00158 -0.03388 -0.10425 178 2PZ -0.05917 0.19765 -0.14157 0.04537 0.08922 179 3S -0.01841 0.38540 1.38106 -0.87158 0.07038 180 3PX 0.15124 -0.40562 1.13138 -0.42568 0.26907 181 3PY 0.23218 -0.68847 -0.28309 0.20325 -0.10648 182 3PZ -0.22973 0.50909 -1.04780 0.55610 -0.09395 183 4XX -0.00666 0.00532 -0.02036 0.00362 -0.02002 184 4YY 0.00563 -0.00351 0.01066 0.00337 0.01417 185 4ZZ 0.00345 -0.00438 0.00398 0.00729 0.01807 186 4XY -0.01228 0.00955 0.00551 -0.01056 0.01010 187 4XZ -0.00034 -0.00556 0.01042 -0.01160 0.01354 188 4YZ -0.00358 -0.00917 -0.01782 0.00585 -0.01886 189 17 H 1S -0.02442 0.05841 -0.00376 -0.02496 -0.08676 190 2S 0.09581 -0.19491 -0.20926 0.05107 0.10657 191 18 H 1S -0.01525 -0.00434 -0.02460 0.05771 -0.06675 192 2S -0.20449 0.48711 0.40613 -0.28733 0.01451 193 19 H 1S 0.01525 0.00434 0.02460 -0.05770 -0.06676 194 2S 0.20449 -0.48711 -0.40613 0.28733 0.01455 195 20 H 1S 0.02443 -0.05841 0.00376 0.02498 -0.08675 196 2S -0.09581 0.19491 0.20926 -0.05107 0.10656 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.03494 198 2S 0.00000 0.00000 0.00000 0.00000 0.03942 199 2PX 0.00000 0.00000 0.00000 0.00001 -0.06698 200 2PY 0.06163 -0.08861 0.24484 -0.04659 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00001 -0.23739 202 3S 0.00000 -0.00001 0.00001 0.00000 -0.36165 203 3PX 0.00000 -0.00001 0.00000 -0.00001 0.08858 204 3PY 0.34038 -1.10121 0.53083 -0.25468 -0.00001 205 3PZ 0.00000 0.00000 -0.00001 -0.00003 0.76368 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00996 207 4YY 0.00000 0.00000 0.00000 0.00000 0.03711 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.01493 209 4XY 0.00662 0.00313 0.02113 -0.00987 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 -0.04963 211 4YZ 0.00723 -0.02806 0.00791 -0.00635 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.10566 213 2S 0.00000 0.00000 0.00000 -0.00001 0.11987 214 23 H 1S 0.00000 0.00000 0.00000 0.00002 -0.23846 215 2S 0.00000 0.00000 0.00000 0.00000 -0.08463 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 -0.01833 -0.00974 0.01022 -0.02311 0.00931 2 2S 0.06070 -0.16646 -0.01679 -0.14051 0.01791 3 2PX 0.12341 0.21471 -0.03112 0.24440 0.04815 4 2PY 0.09227 0.18318 -0.20382 0.30735 0.06273 5 2PZ -0.08877 0.22692 0.15671 -0.06053 0.02340 6 3S -0.89193 0.07204 0.11581 -0.22675 -0.62435 7 3PX 0.75155 -0.19759 0.07322 -0.37985 0.04673 8 3PY 2.36074 -0.30150 0.33767 -0.56321 0.89445 9 3PZ -0.64956 -0.11192 -0.14191 0.16824 -0.18449 10 4XX -0.00299 0.00552 -0.01850 -0.00878 0.00008 11 4YY -0.01881 -0.04271 0.03060 -0.04929 0.00544 12 4ZZ 0.00141 0.00010 -0.01579 0.00691 0.00060 13 4XY -0.00876 -0.01625 0.00520 -0.00855 -0.00135 14 4XZ 0.02186 0.00899 0.01304 0.03870 -0.00348 15 4YZ 0.00810 0.00215 -0.00776 -0.00343 0.00327 16 2 H 1S -0.07181 -0.01988 -0.02643 -0.16659 0.02052 17 2S -0.09609 -0.05747 0.04021 0.01182 -0.12679 18 3 C 1S 0.01833 -0.00974 0.01022 -0.02311 -0.00932 19 2S -0.06068 -0.16647 -0.01679 -0.14051 -0.01790 20 2PX -0.12340 0.21470 -0.03112 0.24440 -0.04811 21 2PY 0.09227 -0.18318 0.20383 -0.30736 0.06271 22 2PZ 0.08875 0.22692 0.15672 -0.06053 -0.02342 23 3S 0.89191 0.07221 0.11588 -0.22676 0.62432 24 3PX -0.75149 -0.19760 0.07322 -0.37980 -0.04676 25 3PY 2.36075 0.30175 -0.33761 0.56313 0.89449 26 3PZ 0.64957 -0.11189 -0.14191 0.16820 0.18453 27 4XX 0.00299 0.00552 -0.01850 -0.00878 -0.00008 28 4YY 0.01882 -0.04271 0.03060 -0.04929 -0.00544 29 4ZZ -0.00141 0.00010 -0.01579 0.00691 -0.00060 30 4XY -0.00876 0.01624 -0.00519 0.00854 -0.00136 31 4XZ -0.02186 0.00899 0.01304 0.03870 0.00348 32 4YZ 0.00810 -0.00215 0.00776 0.00343 0.00327 33 4 H 1S 0.07181 -0.01988 -0.02643 -0.16659 -0.02055 34 2S 0.09609 -0.05744 0.04023 0.01182 0.12681 35 5 C 1S 0.01114 0.00684 0.01323 0.01835 0.00340 36 2S -0.04056 -0.13558 -0.13376 -0.21670 -0.03361 37 2PX -0.44436 0.25141 -0.02041 0.00471 -0.07008 38 2PY 0.01866 -0.07238 -0.10031 -0.15209 -0.06157 39 2PZ 0.28992 0.29612 0.22000 -0.04792 0.06346 40 3S -0.14334 0.21051 0.24036 0.67834 0.06303 41 3PX -1.60209 -0.24911 -0.00697 -0.17271 -0.59111 42 3PY -0.09891 -0.06900 -0.00443 0.13552 -0.30538 43 3PZ 1.18806 -0.23450 -0.18634 0.15276 0.24680 44 4XX 0.00661 -0.02111 0.00003 0.01242 -0.01102 45 4YY 0.00099 0.00983 -0.00526 -0.01160 0.00063 46 4ZZ -0.00790 -0.00708 -0.00209 -0.00453 0.00432 47 4XY 0.02186 -0.01601 0.03583 -0.01543 0.00075 48 4XZ 0.00238 0.01240 -0.01048 -0.02480 -0.00450 49 4YZ -0.01225 0.00771 -0.02932 0.01226 -0.00894 50 6 C 1S -0.02360 0.00360 -0.03035 -0.01056 -0.01649 51 2S 0.12514 -0.10265 -0.12873 -0.02962 -0.14678 52 2PX -0.10254 0.23621 -0.16722 -0.13898 -0.21550 53 2PY -0.12464 0.01975 -0.37941 0.03139 -0.01383 54 2PZ 0.12856 0.11512 0.19061 -0.02916 -0.09016 55 3S -0.37673 0.09691 0.09994 0.20395 0.74151 56 3PX -1.23537 -0.25594 0.22607 0.23067 0.09312 57 3PY -2.04891 -0.04356 0.45624 -0.16175 -0.40211 58 3PZ 0.42212 -0.06544 -0.25022 -0.04146 0.50136 59 4XX -0.00446 0.00081 0.01889 -0.01471 -0.00896 60 4YY -0.00838 -0.00575 -0.06536 0.01127 -0.01298 61 4ZZ 0.01301 -0.01310 0.00184 -0.01349 -0.01464 62 4XY -0.01430 -0.00147 -0.02097 -0.02040 0.00518 63 4XZ 0.01654 0.01242 0.03086 0.02456 0.02123 64 4YZ 0.00692 -0.00652 -0.00317 -0.01121 0.00641 65 7 H 1S -0.03971 -0.05556 -0.14551 -0.10865 -0.04486 66 2S -0.04932 0.01688 -0.14453 -0.11319 -0.00718 67 8 C 1S 0.02360 0.00360 -0.03035 -0.01056 0.01648 68 2S -0.12512 -0.10266 -0.12875 -0.02963 0.14682 69 2PX 0.10251 0.23622 -0.16722 -0.13899 0.21547 70 2PY -0.12466 -0.01976 0.37941 -0.03137 -0.01381 71 2PZ -0.12857 0.11511 0.19060 -0.02916 0.09020 72 3S 0.37668 0.09685 0.09992 0.20395 -0.74158 73 3PX 1.23536 -0.25581 0.22611 0.23064 -0.09310 74 3PY -2.04893 0.04345 -0.45623 0.16186 -0.40216 75 3PZ -0.42211 -0.06550 -0.25022 -0.04142 -0.50140 76 4XX 0.00446 0.00081 0.01889 -0.01471 0.00896 77 4YY 0.00839 -0.00575 -0.06536 0.01127 0.01298 78 4ZZ -0.01301 -0.01310 0.00184 -0.01349 0.01464 79 4XY -0.01430 0.00147 0.02097 0.02040 0.00518 80 4XZ -0.01654 0.01242 0.03086 0.02456 -0.02122 81 4YZ 0.00693 0.00652 0.00317 0.01121 0.00641 82 9 H 1S 0.03971 -0.05555 -0.14551 -0.10865 0.04484 83 2S 0.04933 0.01687 -0.14455 -0.11320 0.00720 84 10 C 1S -0.01114 0.00684 0.01323 0.01835 -0.00340 85 2S 0.04058 -0.13557 -0.13376 -0.21669 0.03362 86 2PX 0.44434 0.25144 -0.02040 0.00470 0.07007 87 2PY 0.01864 0.07236 0.10030 0.15209 -0.06156 88 2PZ -0.28995 0.29609 0.21999 -0.04791 -0.06345 89 3S 0.14335 0.21054 0.24037 0.67832 -0.06298 90 3PX 1.60211 -0.24896 -0.00695 -0.17280 0.59110 91 3PY -0.09899 0.06893 0.00439 -0.13554 -0.30542 92 3PZ -1.18805 -0.23458 -0.18635 0.15281 -0.24681 93 4XX -0.00661 -0.02111 0.00003 0.01242 0.01103 94 4YY -0.00099 0.00983 -0.00526 -0.01160 -0.00064 95 4ZZ 0.00790 -0.00708 -0.00209 -0.00453 -0.00432 96 4XY 0.02187 0.01601 -0.03583 0.01543 0.00075 97 4XZ -0.00238 0.01240 -0.01048 -0.02480 0.00449 98 4YZ -0.01225 -0.00772 0.02932 -0.01225 -0.00894 99 11 O 1S -0.00303 0.00222 0.00358 0.00288 0.00981 100 2S 0.01810 0.02891 0.00890 0.00424 0.00299 101 2PX -0.01884 -0.04166 0.13027 -0.07618 0.00419 102 2PY 0.01832 0.03477 0.00449 0.00599 -0.00006 103 2PZ 0.00852 0.05003 -0.08249 0.03597 0.00762 104 3S -0.04334 -0.16501 -0.10977 -0.09481 -0.27031 105 3PX 0.25883 0.00900 0.01664 0.02145 0.06724 106 3PY 0.00255 -0.06096 -0.05877 -0.07123 -0.11464 107 3PZ -0.18949 0.01958 -0.00346 -0.01276 -0.05371 108 4XX 0.00038 0.01646 0.00359 0.00879 0.00890 109 4YY 0.00155 -0.00426 0.00142 0.00339 0.00495 110 4ZZ 0.00304 0.01471 0.01066 -0.00242 0.00866 111 4XY -0.01526 0.01864 -0.01307 0.00863 0.00026 112 4XZ 0.00185 0.00654 0.00008 0.00270 -0.00088 113 4YZ 0.00836 0.01373 0.02270 -0.00718 0.00197 114 12 O 1S 0.00303 0.00222 0.00358 0.00288 -0.00981 115 2S -0.01810 0.02890 0.00890 0.00424 -0.00298 116 2PX 0.01884 -0.04166 0.13027 -0.07619 -0.00419 117 2PY 0.01832 -0.03477 -0.00449 -0.00599 -0.00006 118 2PZ -0.00852 0.05003 -0.08249 0.03597 -0.00762 119 3S 0.04337 -0.16496 -0.10975 -0.09479 0.27031 120 3PX -0.25883 0.00899 0.01664 0.02146 -0.06725 121 3PY 0.00254 0.06095 0.05876 0.07122 -0.11464 122 3PZ 0.18949 0.01960 -0.00346 -0.01277 0.05371 123 4XX -0.00038 0.01646 0.00359 0.00879 -0.00890 124 4YY -0.00155 -0.00426 0.00142 0.00339 -0.00495 125 4ZZ -0.00304 0.01471 0.01066 -0.00242 -0.00866 126 4XY -0.01526 -0.01865 0.01307 -0.00863 0.00026 127 4XZ -0.00185 0.00654 0.00008 0.00270 0.00088 128 4YZ 0.00836 -0.01373 -0.02270 0.00718 0.00197 129 13 C 1S -0.00057 -0.01829 0.01358 0.01278 -0.02843 130 2S -0.01501 -0.02351 -0.15878 -0.07223 -0.02627 131 2PX 0.14516 -0.00582 -0.11338 -0.05408 -0.28197 132 2PY -0.03022 0.01091 -0.03537 0.11415 0.08092 133 2PZ 0.08111 0.14885 0.02528 -0.01885 -0.19995 134 3S 0.02395 0.44906 -0.17523 -0.42919 -0.20491 135 3PX -0.26016 0.01993 0.02333 -0.04721 0.60813 136 3PY 0.06755 0.36616 -0.20904 -0.60681 -0.17625 137 3PZ -0.05670 -0.30536 0.08196 0.15374 0.30746 138 4XX 0.00717 -0.02607 -0.00604 0.02802 -0.00137 139 4YY -0.00480 0.01982 -0.00839 -0.06722 -0.04391 140 4ZZ -0.00668 -0.00636 0.00088 0.02505 0.00855 141 4XY 0.00731 -0.00841 -0.01064 0.00268 -0.00842 142 4XZ -0.00434 0.01228 0.02610 -0.00005 0.05421 143 4YZ 0.00802 0.00935 -0.01764 -0.00166 -0.03808 144 14 C 1S -0.00330 0.00717 -0.01243 -0.01463 0.00021 145 2S 0.04596 0.08231 -0.30241 -0.26082 -0.14954 146 2PX -0.03549 0.11310 0.06318 -0.16298 0.01962 147 2PY -0.07089 0.16164 -0.09293 -0.15417 0.16705 148 2PZ 0.00602 -0.09439 0.07069 0.02863 -0.21522 149 3S 0.16898 -0.25484 0.47178 0.50700 0.06603 150 3PX -0.13072 -0.01208 -0.15464 0.05067 -0.00160 151 3PY 0.16303 -0.23293 0.05880 0.21031 -0.13806 152 3PZ 0.05541 0.08060 0.01799 -0.01369 0.03460 153 4XX -0.01099 -0.00718 -0.01188 -0.01218 0.01333 154 4YY 0.01698 0.03186 -0.04512 -0.05411 -0.03791 155 4ZZ 0.00777 -0.00340 -0.00925 0.00069 -0.01127 156 4XY 0.00264 -0.00907 -0.00667 0.01824 -0.00108 157 4XZ -0.01662 -0.00856 0.04423 0.03800 0.01695 158 4YZ -0.00017 0.00926 0.00043 -0.02307 0.00381 159 15 C 1S 0.00330 0.00717 -0.01242 -0.01463 -0.00021 160 2S -0.04597 0.08231 -0.30241 -0.26082 0.14954 161 2PX 0.03548 0.11311 0.06318 -0.16299 -0.01962 162 2PY -0.07087 -0.16165 0.09292 0.15417 0.16711 163 2PZ -0.00602 -0.09439 0.07067 0.02862 0.21526 164 3S -0.16896 -0.25482 0.47177 0.50703 -0.06599 165 3PX 0.13073 -0.01209 -0.15463 0.05065 0.00158 166 3PY 0.16300 0.23293 -0.05879 -0.21030 -0.13813 167 3PZ -0.05541 0.08061 0.01800 -0.01367 -0.03460 168 4XX 0.01099 -0.00718 -0.01188 -0.01218 -0.01334 169 4YY -0.01698 0.03186 -0.04513 -0.05411 0.03790 170 4ZZ -0.00777 -0.00340 -0.00925 0.00068 0.01127 171 4XY 0.00264 0.00907 0.00667 -0.01824 -0.00107 172 4XZ 0.01663 -0.00856 0.04423 0.03800 -0.01695 173 4YZ -0.00017 -0.00926 -0.00043 0.02307 0.00381 174 16 C 1S 0.00057 -0.01829 0.01357 0.01278 0.02844 175 2S 0.01501 -0.02351 -0.15878 -0.07223 0.02627 176 2PX -0.14516 -0.00583 -0.11339 -0.05410 0.28198 177 2PY -0.03023 -0.01091 0.03537 -0.11415 0.08094 178 2PZ -0.08112 0.14885 0.02527 -0.01887 0.19996 179 3S -0.02398 0.44905 -0.17523 -0.42924 0.20484 180 3PX 0.26015 0.01994 0.02336 -0.04721 -0.60820 181 3PY 0.06759 -0.36614 0.20906 0.60681 -0.17621 182 3PZ 0.05671 -0.30536 0.08197 0.15378 -0.30746 183 4XX -0.00717 -0.02607 -0.00604 0.02802 0.00137 184 4YY 0.00480 0.01982 -0.00839 -0.06723 0.04392 185 4ZZ 0.00668 -0.00636 0.00088 0.02505 -0.00855 186 4XY 0.00731 0.00841 0.01064 -0.00268 -0.00843 187 4XZ 0.00433 0.01228 0.02611 -0.00005 -0.05421 188 4YZ 0.00802 -0.00935 0.01764 0.00166 -0.03808 189 17 H 1S -0.00427 0.00494 0.03753 -0.15804 -0.23583 190 2S 0.01284 0.13306 -0.10663 -0.10744 -0.00935 191 18 H 1S 0.05439 0.09145 -0.10147 -0.24050 -0.06345 192 2S 0.07285 -0.05231 0.02577 0.08174 -0.07403 193 19 H 1S -0.05440 0.09145 -0.10147 -0.24050 0.06346 194 2S -0.07284 -0.05230 0.02576 0.08175 0.07403 195 20 H 1S 0.00426 0.00494 0.03752 -0.15805 0.23588 196 2S -0.01285 0.13305 -0.10663 -0.10744 0.00930 197 21 C 1S 0.00000 0.01620 -0.00021 -0.01261 0.00000 198 2S 0.00000 0.06676 -0.02813 -0.06177 0.00001 199 2PX 0.00000 -0.01742 0.01278 -0.14531 -0.00002 200 2PY -0.01472 0.00000 -0.00002 -0.00002 0.62155 201 2PZ 0.00000 -0.12431 0.09079 0.19703 -0.00001 202 3S 0.00003 -0.56109 0.13082 0.69586 0.00000 203 3PX 0.00001 -0.10393 0.18415 0.37564 0.00007 204 3PY 0.07195 0.00000 0.00002 0.00001 -0.73913 205 3PZ -0.00001 0.57860 -0.26315 -0.65144 -0.00003 206 4XX 0.00000 -0.01144 0.01735 0.00099 0.00000 207 4YY 0.00000 0.01285 -0.01315 0.03408 0.00000 208 4ZZ 0.00000 0.01189 0.00054 -0.02602 0.00000 209 4XY -0.00180 0.00000 0.00000 0.00000 -0.00888 210 4XZ 0.00000 -0.03670 -0.00182 0.01393 0.00000 211 4YZ -0.00675 0.00000 0.00000 0.00000 0.00430 212 22 H 1S 0.00000 0.02159 0.08584 -0.05007 0.00002 213 2S 0.00000 0.06038 0.18744 0.12365 0.00004 214 23 H 1S 0.00000 -0.10310 -0.03406 -0.05253 0.00000 215 2S 0.00000 0.06013 -0.03610 0.01240 0.00001 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 -0.01378 0.01076 0.01178 -0.01085 0.00042 2 2S 0.09154 0.08938 0.14401 0.02389 0.18023 3 2PX 0.19076 0.02479 0.01912 0.17961 -0.13801 4 2PY 0.13205 -0.08978 -0.06713 -0.01982 0.07872 5 2PZ -0.18986 0.18623 0.04181 0.23423 -0.44528 6 3S -0.13742 0.07287 -0.03089 0.74347 -0.13790 7 3PX -0.21878 0.06045 -0.03868 -0.09603 0.13402 8 3PY -0.19676 0.19922 0.18149 -0.74001 -0.08592 9 3PZ 0.21770 -0.21784 -0.06170 -0.25989 0.45843 10 4XX -0.00974 0.01366 0.01075 0.01225 0.00177 11 4YY 0.00137 0.01874 0.02210 0.00807 0.01346 12 4ZZ 0.00790 -0.00213 0.00868 -0.00861 0.02574 13 4XY 0.01938 -0.00461 -0.00507 0.01353 0.01573 14 4XZ 0.01824 -0.02752 -0.03366 0.00312 -0.02668 15 4YZ -0.01010 -0.01092 0.00131 0.00442 0.03238 16 2 H 1S -0.16009 0.11742 0.12796 -0.01622 0.05258 17 2S 0.06162 -0.00384 -0.07024 0.18837 -0.03583 18 3 C 1S -0.01378 0.01076 0.01178 0.01085 0.00042 19 2S 0.09154 0.08938 0.14401 -0.02389 0.18023 20 2PX 0.19076 0.02479 0.01912 -0.17960 -0.13801 21 2PY -0.13206 0.08978 0.06713 -0.01982 -0.07872 22 2PZ -0.18985 0.18622 0.04181 -0.23422 -0.44528 23 3S -0.13754 0.07283 -0.03093 -0.74346 -0.13787 24 3PX -0.21878 0.06045 -0.03867 0.09599 0.13403 25 3PY 0.19661 -0.19926 -0.18156 -0.74002 0.08595 26 3PZ 0.21768 -0.21784 -0.06172 0.25988 0.45844 27 4XX -0.00974 0.01366 0.01075 -0.01225 0.00177 28 4YY 0.00137 0.01874 0.02210 -0.00807 0.01346 29 4ZZ 0.00790 -0.00213 0.00868 0.00861 0.02574 30 4XY -0.01938 0.00461 0.00507 0.01353 -0.01573 31 4XZ 0.01824 -0.02751 -0.03366 -0.00312 -0.02668 32 4YZ 0.01009 0.01092 -0.00130 0.00442 -0.03238 33 4 H 1S -0.16009 0.11742 0.12796 0.01621 0.05258 34 2S 0.06159 -0.00385 -0.07025 -0.18837 -0.03583 35 5 C 1S 0.01710 -0.01238 0.00732 -0.00302 0.00398 36 2S 0.12948 0.10142 -0.03684 -0.04147 0.01108 37 2PX 0.03360 0.00497 -0.18108 -0.13041 -0.08018 38 2PY -0.03231 0.08962 0.10782 0.10890 -0.07228 39 2PZ 0.02853 0.11377 0.02271 -0.32965 0.06522 40 3S 0.04458 -0.34988 -0.11558 -0.07165 0.36433 41 3PX -0.03662 0.14941 0.40471 0.42659 0.29124 42 3PY -0.00904 0.09803 0.27553 0.44786 0.01422 43 3PZ -0.01291 -0.22425 -0.03128 0.31721 -0.23165 44 4XX 0.04661 -0.00583 0.01159 -0.00108 0.02567 45 4YY -0.00624 0.00279 -0.00271 -0.00368 -0.00625 46 4ZZ 0.01326 -0.00323 -0.01608 -0.01141 0.00243 47 4XY -0.00702 -0.00065 0.00090 -0.00411 -0.01351 48 4XZ -0.05396 0.01351 0.00450 0.01268 -0.01914 49 4YZ 0.00519 -0.00160 -0.00336 0.00208 0.00533 50 6 C 1S -0.00613 0.00890 -0.00495 0.02743 -0.00587 51 2S 0.21131 0.02576 0.10147 -0.03088 -0.11695 52 2PX -0.08968 0.06493 0.13454 0.06638 0.13949 53 2PY -0.06222 0.13912 -0.03155 0.02046 -0.11858 54 2PZ 0.18171 0.00080 0.14289 0.01701 0.22141 55 3S -0.32454 -0.11990 -0.37847 -0.71393 -0.27179 56 3PX -0.00302 0.01948 -0.11218 -0.07064 -0.11326 57 3PY 0.12371 -0.12322 0.08023 -0.22746 0.30749 58 3PZ -0.12439 0.05072 -0.33003 -0.35094 -0.36036 59 4XX 0.00116 -0.01287 0.00232 0.00334 -0.02529 60 4YY 0.02603 0.01658 0.01264 -0.00230 -0.02521 61 4ZZ -0.00249 -0.00427 -0.01012 0.00789 0.01369 62 4XY 0.02577 -0.00418 -0.01141 -0.00144 0.02194 63 4XZ 0.00366 -0.01552 0.00729 -0.00389 0.05575 64 4YZ -0.00076 0.00579 -0.01774 0.00363 -0.00717 65 7 H 1S -0.05489 0.08207 -0.12663 0.09052 -0.17628 66 2S 0.16105 0.03890 -0.03380 -0.05012 0.10961 67 8 C 1S -0.00613 0.00890 -0.00495 -0.02743 -0.00587 68 2S 0.21129 0.02576 0.10147 0.03088 -0.11694 69 2PX -0.08972 0.06491 0.13454 -0.06639 0.13949 70 2PY 0.06223 -0.13912 0.03157 0.02047 0.11856 71 2PZ 0.18170 0.00080 0.14290 -0.01701 0.22141 72 3S -0.32442 -0.11988 -0.37844 0.71393 -0.27184 73 3PX -0.00300 0.01949 -0.11221 0.07065 -0.11323 74 3PY -0.12365 0.12322 -0.08020 -0.22748 -0.30748 75 3PZ -0.12431 0.05073 -0.33000 0.35094 -0.36042 76 4XX 0.00115 -0.01287 0.00232 -0.00334 -0.02529 77 4YY 0.02603 0.01658 0.01265 0.00230 -0.02521 78 4ZZ -0.00250 -0.00427 -0.01013 -0.00789 0.01369 79 4XY -0.02577 0.00419 0.01141 -0.00144 -0.02193 80 4XZ 0.00367 -0.01552 0.00729 0.00389 0.05575 81 4YZ 0.00076 -0.00579 0.01774 0.00363 0.00717 82 9 H 1S -0.05490 0.08207 -0.12662 -0.09052 -0.17629 83 2S 0.16105 0.03891 -0.03379 0.05012 0.10959 84 10 C 1S 0.01710 -0.01238 0.00732 0.00302 0.00398 85 2S 0.12946 0.10142 -0.03683 0.04147 0.01106 86 2PX 0.03358 0.00496 -0.18109 0.13041 -0.08017 87 2PY 0.03231 -0.08961 -0.10781 0.10890 0.07228 88 2PZ 0.02854 0.11378 0.02272 0.32965 0.06521 89 3S 0.04461 -0.34987 -0.11561 0.07166 0.36439 90 3PX -0.03671 0.14939 0.40465 -0.42658 0.29128 91 3PY 0.00910 -0.09802 -0.27554 0.44788 -0.01425 92 3PZ -0.01286 -0.22425 -0.03127 -0.31720 -0.23166 93 4XX 0.04660 -0.00583 0.01159 0.00108 0.02567 94 4YY -0.00624 0.00279 -0.00272 0.00368 -0.00625 95 4ZZ 0.01326 -0.00323 -0.01608 0.01141 0.00243 96 4XY 0.00702 0.00065 -0.00090 -0.00411 0.01351 97 4XZ -0.05397 0.01351 0.00450 -0.01268 -0.01914 98 4YZ -0.00518 0.00160 0.00335 0.00208 -0.00532 99 11 O 1S -0.00183 -0.00565 -0.01638 -0.01346 0.00337 100 2S 0.03130 -0.01733 0.02927 0.02113 0.02652 101 2PX 0.00163 -0.01152 -0.06053 -0.04760 -0.06663 102 2PY -0.02866 -0.00897 0.02622 0.02032 -0.01177 103 2PZ 0.01378 0.02836 -0.01805 -0.05792 0.02695 104 3S -0.02789 0.19399 0.28709 0.34118 -0.12218 105 3PX -0.00905 -0.01361 0.00888 -0.01377 -0.03780 106 3PY 0.01415 0.09234 0.16834 0.15738 -0.05732 107 3PZ -0.00188 0.03027 0.02863 0.00702 0.03283 108 4XX 0.00222 -0.00568 -0.00173 -0.00667 -0.00317 109 4YY 0.01816 -0.00845 -0.00248 0.00271 0.01842 110 4ZZ 0.00393 -0.01124 -0.00570 0.00079 0.01655 111 4XY 0.00486 0.00079 -0.01162 -0.00783 0.00267 112 4XZ -0.00635 0.00004 0.00212 -0.00584 -0.00166 113 4YZ 0.00363 0.00623 0.00186 -0.01988 0.00236 114 12 O 1S -0.00183 -0.00565 -0.01638 0.01346 0.00337 115 2S 0.03131 -0.01733 0.02927 -0.02112 0.02651 116 2PX 0.00163 -0.01152 -0.06053 0.04761 -0.06664 117 2PY 0.02865 0.00897 -0.02622 0.02032 0.01177 118 2PZ 0.01378 0.02836 -0.01804 0.05792 0.02695 119 3S -0.02796 0.19397 0.28710 -0.34119 -0.12217 120 3PX -0.00904 -0.01362 0.00888 0.01378 -0.03780 121 3PY -0.01413 -0.09233 -0.16834 0.15738 0.05732 122 3PZ -0.00189 0.03027 0.02863 -0.00702 0.03283 123 4XX 0.00223 -0.00568 -0.00173 0.00667 -0.00317 124 4YY 0.01816 -0.00845 -0.00247 -0.00271 0.01841 125 4ZZ 0.00393 -0.01124 -0.00570 -0.00079 0.01655 126 4XY -0.00486 -0.00079 0.01162 -0.00783 -0.00267 127 4XZ -0.00635 0.00004 0.00212 0.00584 -0.00166 128 4YZ -0.00363 -0.00623 -0.00187 -0.01988 -0.00236 129 13 C 1S 0.02914 0.01519 0.03250 -0.04737 -0.02595 130 2S 0.03427 -0.01775 -0.12901 0.16028 -0.09137 131 2PX 0.06961 -0.11406 0.21552 0.30671 -0.00177 132 2PY -0.16984 -0.01790 -0.04457 0.04796 -0.00525 133 2PZ 0.03340 -0.01622 0.19138 -0.15001 0.07801 134 3S -0.20755 -0.39344 0.25250 0.78174 0.48810 135 3PX -0.30354 -0.23325 -0.60229 0.11293 0.06183 136 3PY 0.09828 -0.30706 -0.17169 0.49465 0.35793 137 3PZ -0.04231 -0.03485 -0.37166 -0.28320 -0.22675 138 4XX -0.00767 -0.01575 0.00434 0.01391 -0.01813 139 4YY 0.06472 0.00273 -0.00262 -0.00574 -0.01748 140 4ZZ -0.02506 0.00982 0.00965 -0.01246 0.00135 141 4XY 0.02863 0.04566 0.00457 -0.00491 -0.01174 142 4XZ -0.02343 -0.00042 -0.04510 0.01813 0.02226 143 4YZ -0.01519 -0.01894 0.05151 -0.00077 -0.01357 144 14 C 1S -0.00923 -0.01322 -0.02651 0.08125 0.01225 145 2S 0.14178 -0.14230 -0.00112 -0.10004 -0.04300 146 2PX 0.03447 -0.35595 -0.17119 0.07542 -0.10676 147 2PY -0.20636 -0.22910 -0.12293 -0.18683 0.13942 148 2PZ 0.19967 -0.30812 0.09085 -0.06068 -0.27205 149 3S -0.08600 0.28960 0.16797 -1.26332 -0.12627 150 3PX -0.11751 0.18702 0.09855 0.80343 0.30625 151 3PY 0.24781 0.31396 0.16883 -0.36706 -0.25352 152 3PZ -0.05733 0.39194 0.12640 -0.61161 0.15702 153 4XX 0.00838 0.00617 -0.02343 0.00145 0.00335 154 4YY -0.00527 -0.05102 -0.00461 0.04183 0.01139 155 4ZZ 0.02242 0.00498 -0.00119 -0.00584 -0.01744 156 4XY -0.02591 -0.03963 0.03268 0.00091 -0.02382 157 4XZ -0.01672 0.00790 0.02780 -0.05673 0.00459 158 4YZ 0.04521 0.01410 -0.01935 -0.00053 -0.01439 159 15 C 1S -0.00923 -0.01322 -0.02651 -0.08125 0.01225 160 2S 0.14175 -0.14230 -0.00112 0.10004 -0.04300 161 2PX 0.03448 -0.35594 -0.17121 -0.07540 -0.10675 162 2PY 0.20633 0.22909 0.12294 -0.18683 -0.13944 163 2PZ 0.19963 -0.30812 0.09085 0.06069 -0.27205 164 3S -0.08603 0.28965 0.16797 1.26333 -0.12621 165 3PX -0.11748 0.18699 0.09855 -0.80345 0.30621 166 3PY -0.24778 -0.31397 -0.16882 -0.36705 0.25349 167 3PZ -0.05734 0.39196 0.12641 0.61160 0.15705 168 4XX 0.00838 0.00617 -0.02343 -0.00145 0.00335 169 4YY -0.00527 -0.05103 -0.00461 -0.04183 0.01139 170 4ZZ 0.02242 0.00498 -0.00119 0.00584 -0.01744 171 4XY 0.02591 0.03963 -0.03268 0.00091 0.02382 172 4XZ -0.01672 0.00790 0.02780 0.05673 0.00459 173 4YZ -0.04521 -0.01410 0.01935 -0.00053 0.01439 174 16 C 1S 0.02913 0.01519 0.03250 0.04737 -0.02595 175 2S 0.03427 -0.01776 -0.12901 -0.16028 -0.09139 176 2PX 0.06957 -0.11407 0.21550 -0.30671 -0.00177 177 2PY 0.16983 0.01790 0.04457 0.04797 0.00525 178 2PZ 0.03336 -0.01622 0.19136 0.15001 0.07804 179 3S -0.20755 -0.39348 0.25249 -0.78176 0.48808 180 3PX -0.30342 -0.23325 -0.60228 -0.11294 0.06181 181 3PY -0.09827 0.30708 0.17168 0.49466 -0.35789 182 3PZ -0.04227 -0.03483 -0.37163 0.28322 -0.22678 183 4XX -0.00767 -0.01575 0.00434 -0.01391 -0.01813 184 4YY 0.06471 0.00273 -0.00262 0.00574 -0.01748 185 4ZZ -0.02506 0.00982 0.00966 0.01245 0.00135 186 4XY -0.02863 -0.04566 -0.00457 -0.00490 0.01174 187 4XZ -0.02342 -0.00042 -0.04510 -0.01813 0.02226 188 4YZ 0.01520 0.01894 -0.05151 -0.00077 0.01356 189 17 H 1S 0.32294 0.14165 -0.06478 -0.08795 -0.03435 190 2S -0.16180 -0.20883 -0.12786 0.26077 0.15878 191 18 H 1S 0.18856 0.06748 -0.22943 0.23867 0.03363 192 2S -0.03555 -0.00494 0.23504 -0.59805 -0.15168 193 19 H 1S 0.18856 0.06747 -0.22943 -0.23866 0.03362 194 2S -0.03558 -0.00492 0.23505 0.59805 -0.15164 195 20 H 1S 0.32289 0.14165 -0.06478 0.08796 -0.03436 196 2S -0.16179 -0.20885 -0.12786 -0.26077 0.15876 197 21 C 1S -0.01049 0.00779 -0.02260 0.00000 0.00223 198 2S 0.16702 -0.04528 0.16700 0.00000 -0.01078 199 2PX -0.13133 -0.15319 0.12072 0.00000 -0.02321 200 2PY -0.00006 0.00000 -0.00001 0.29791 0.00000 201 2PZ -0.16883 0.11572 -0.57275 0.00000 0.23366 202 3S -0.36995 0.18366 0.06623 0.00000 -0.23584 203 3PX 0.44255 0.74034 0.14754 0.00000 -0.30472 204 3PY 0.00007 0.00000 0.00000 -0.28568 0.00000 205 3PZ -0.05421 -0.42583 0.82382 -0.00001 -0.01862 206 4XX 0.03243 0.06741 -0.01380 0.00000 -0.00041 207 4YY -0.03725 -0.02013 0.03757 0.00000 0.00159 208 4ZZ 0.01800 -0.03563 -0.02434 0.00000 -0.01109 209 4XY 0.00000 0.00000 0.00000 -0.00155 0.00000 210 4XZ -0.01579 -0.04763 -0.02083 0.00000 -0.00289 211 4YZ 0.00000 0.00000 0.00000 -0.00064 0.00000 212 22 H 1S 0.13350 0.31961 -0.13604 0.00000 0.02521 213 2S 0.27500 0.29705 0.07744 0.00001 -0.32381 214 23 H 1S 0.10089 -0.12796 -0.14434 0.00000 -0.01464 215 2S 0.05050 0.03037 -0.08023 0.00000 0.13844 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 0.01281 -0.00842 -0.00429 0.00343 0.01588 2 2S 0.12011 -0.00684 0.09546 0.02632 -0.11315 3 2PX -0.04256 -0.17663 0.29647 -0.12679 0.02598 4 2PY -0.02447 -0.06254 0.00419 0.04641 -0.07017 5 2PZ 0.03763 -0.21087 0.21501 -0.23765 0.30388 6 3S -0.06028 -0.04912 -0.11969 -0.02198 -0.41243 7 3PX 0.07957 0.18170 -0.43967 0.26397 0.08954 8 3PY 0.05400 0.07151 0.03318 0.14606 1.07468 9 3PZ -0.09443 0.28837 -0.28108 0.27358 -0.63769 10 4XX 0.02253 -0.00938 0.00638 -0.00679 0.02393 11 4YY 0.01496 -0.01744 0.01415 0.01159 -0.03364 12 4ZZ 0.00491 0.01011 -0.01323 0.00789 -0.00595 13 4XY -0.00318 -0.00618 -0.00900 -0.00050 -0.01496 14 4XZ -0.04143 0.00635 0.01586 -0.00758 -0.02319 15 4YZ 0.00247 -0.00383 -0.02251 -0.00721 0.01780 16 2 H 1S 0.16972 -0.03585 -0.06593 0.02848 0.04565 17 2S -0.00766 -0.01083 -0.01539 -0.00133 -0.24847 18 3 C 1S 0.01281 0.00842 -0.00429 -0.00343 -0.01588 19 2S 0.12011 0.00685 0.09546 -0.02632 0.11316 20 2PX -0.04258 0.17662 0.29650 0.12679 -0.02597 21 2PY 0.02449 -0.06254 -0.00420 0.04641 -0.07017 22 2PZ 0.03761 0.21090 0.21504 0.23765 -0.30387 23 3S -0.06029 0.04912 -0.11970 0.02198 0.41241 24 3PX 0.07959 -0.18168 -0.43970 -0.26396 -0.08954 25 3PY -0.05402 0.07149 -0.03318 0.14607 1.07467 26 3PZ -0.09442 -0.28840 -0.28113 -0.27357 0.63767 27 4XX 0.02253 0.00939 0.00639 0.00679 -0.02393 28 4YY 0.01496 0.01745 0.01415 -0.01159 0.03364 29 4ZZ 0.00491 -0.01011 -0.01323 -0.00789 0.00595 30 4XY 0.00318 -0.00618 0.00900 -0.00050 -0.01496 31 4XZ -0.04143 -0.00635 0.01586 0.00758 0.02319 32 4YZ -0.00247 -0.00382 0.02251 -0.00721 0.01780 33 4 H 1S 0.16971 0.03588 -0.06593 -0.02849 -0.04563 34 2S -0.00766 0.01083 -0.01539 0.00133 0.24846 35 5 C 1S -0.00097 -0.00410 0.00631 0.00444 -0.02102 36 2S -0.03257 0.11989 0.02357 -0.03200 0.26660 37 2PX -0.19811 0.11277 -0.19651 0.09860 -0.05344 38 2PY 0.06512 -0.01927 0.00777 0.04719 -0.54566 39 2PZ 0.08962 0.16670 -0.34205 0.07784 -0.04939 40 3S -0.25725 -0.33758 0.21967 -0.15469 0.64213 41 3PX 0.31793 -0.16349 0.46441 -0.42626 -0.29147 42 3PY 0.15896 -0.09171 0.16252 -0.04620 0.21600 43 3PZ -0.10168 -0.17220 0.57530 0.11714 0.17292 44 4XX -0.00991 0.01457 0.02818 -0.01854 0.06098 45 4YY -0.00479 -0.01551 -0.01665 0.01590 -0.07468 46 4ZZ -0.00645 0.00533 0.00788 -0.00012 0.03908 47 4XY -0.00854 -0.00269 0.00933 0.00483 -0.01429 48 4XZ 0.01205 -0.00503 -0.02082 0.00250 -0.04474 49 4YZ -0.00337 0.01704 0.00510 -0.00308 -0.00959 50 6 C 1S -0.00130 0.00822 0.00032 -0.00345 -0.01966 51 2S -0.11245 -0.13458 0.02836 0.02141 0.08066 52 2PX 0.03130 0.13402 -0.06095 -0.11217 -0.10445 53 2PY 0.09014 -0.17173 -0.11144 0.04527 -0.12129 54 2PZ -0.05443 0.13206 0.16643 -0.15071 0.12006 55 3S 0.17423 0.53901 -0.34166 -0.02605 0.41989 56 3PX -0.02557 -0.24068 0.03694 0.08772 0.10387 57 3PY -0.24203 0.34976 0.28491 -0.55151 0.50506 58 3PZ -0.09858 0.24806 -0.38256 0.35996 -0.01456 59 4XX 0.01489 -0.04098 -0.00203 0.02888 -0.01468 60 4YY 0.00355 0.02841 -0.01249 -0.01448 0.03113 61 4ZZ -0.02603 0.00345 0.01885 -0.00558 -0.00865 62 4XY -0.01995 0.00621 0.00675 -0.00110 0.02105 63 4XZ 0.03279 -0.00982 0.01784 -0.00539 0.02669 64 4YZ -0.02346 0.00162 -0.02113 -0.00147 -0.00884 65 7 H 1S -0.16756 0.12344 -0.06542 -0.03709 -0.03798 66 2S -0.14823 0.24664 0.08773 -0.13018 0.20615 67 8 C 1S -0.00130 -0.00823 0.00032 0.00345 0.01966 68 2S -0.11247 0.13457 0.02836 -0.02140 -0.08066 69 2PX 0.03132 -0.13402 -0.06096 0.11217 0.10444 70 2PY -0.09010 -0.17176 0.11143 0.04527 -0.12130 71 2PZ -0.05441 -0.13208 0.16644 0.15071 -0.12006 72 3S 0.17429 -0.53898 -0.34171 0.02605 -0.41992 73 3PX -0.02562 0.24069 0.03693 -0.08773 -0.10385 74 3PY 0.24198 0.34981 -0.28487 -0.55150 0.50508 75 3PZ -0.09853 -0.24805 -0.38259 -0.35994 0.01454 76 4XX 0.01488 0.04098 -0.00203 -0.02888 0.01468 77 4YY 0.00356 -0.02840 -0.01249 0.01448 -0.03113 78 4ZZ -0.02603 -0.00346 0.01885 0.00558 0.00865 79 4XY 0.01995 0.00621 -0.00675 -0.00110 0.02105 80 4XZ 0.03279 0.00983 0.01784 0.00539 -0.02669 81 4YZ 0.02346 0.00163 0.02113 -0.00147 -0.00884 82 9 H 1S -0.16754 -0.12346 -0.06543 0.03710 0.03798 83 2S -0.14819 -0.24667 0.08772 0.13019 -0.20616 84 10 C 1S -0.00098 0.00410 0.00631 -0.00444 0.02102 85 2S -0.03254 -0.11989 0.02357 0.03200 -0.26658 86 2PX -0.19811 -0.11280 -0.19652 -0.09858 0.05340 87 2PY -0.06511 -0.01928 -0.00776 0.04719 -0.54563 88 2PZ 0.08964 -0.16667 -0.34206 -0.07784 0.04939 89 3S -0.25732 0.33751 0.21969 0.15469 -0.64212 90 3PX 0.31791 0.16353 0.46440 0.42622 0.29152 91 3PY -0.15897 -0.09175 -0.16254 -0.04621 0.21593 92 3PZ -0.10169 0.17217 0.57532 -0.11714 -0.17291 93 4XX -0.00991 -0.01457 0.02818 0.01854 -0.06098 94 4YY -0.00479 0.01551 -0.01665 -0.01590 0.07467 95 4ZZ -0.00645 -0.00534 0.00788 0.00012 -0.03908 96 4XY 0.00854 -0.00269 -0.00933 0.00483 -0.01428 97 4XZ 0.01205 0.00503 -0.02082 -0.00250 0.04474 98 4YZ 0.00336 0.01704 -0.00510 -0.00308 -0.00959 99 11 O 1S -0.00888 -0.00057 -0.00434 -0.00130 0.02785 100 2S -0.01853 0.02284 0.02976 -0.01088 -0.03432 101 2PX -0.10529 0.06606 -0.00999 0.03826 -0.02034 102 2PY 0.01136 -0.03535 -0.01864 0.02879 -0.19935 103 2PZ 0.02130 0.06635 -0.07807 0.00970 -0.02254 104 3S 0.24831 -0.01389 0.08435 0.01266 -0.21278 105 3PX 0.01291 -0.01666 -0.04287 0.04119 0.01399 106 3PY 0.11556 0.03387 0.05895 0.00241 -0.24822 107 3PZ 0.02517 -0.01417 -0.04341 -0.02831 -0.02850 108 4XX -0.00755 0.00413 0.00381 0.01080 -0.02859 109 4YY -0.01139 0.02027 0.02396 -0.02143 0.10427 110 4ZZ -0.01395 0.00101 -0.00456 -0.00812 -0.00993 111 4XY -0.00531 0.00549 -0.01548 0.00204 0.01543 112 4XZ 0.00012 0.00135 -0.00103 0.00233 0.00145 113 4YZ 0.00274 0.00755 -0.01873 0.00357 0.00853 114 12 O 1S -0.00888 0.00057 -0.00434 0.00130 -0.02785 115 2S -0.01852 -0.02284 0.02975 0.01088 0.03432 116 2PX -0.10529 -0.06608 -0.01000 -0.03825 0.02033 117 2PY -0.01135 -0.03534 0.01864 0.02879 -0.19933 118 2PZ 0.02131 -0.06634 -0.07807 -0.00970 0.02254 119 3S 0.24832 0.01395 0.08436 -0.01266 0.21281 120 3PX 0.01291 0.01666 -0.04287 -0.04118 -0.01400 121 3PY -0.11557 0.03384 -0.05895 0.00241 -0.24822 122 3PZ 0.02517 0.01417 -0.04341 0.02831 0.02850 123 4XX -0.00755 -0.00413 0.00380 -0.01080 0.02859 124 4YY -0.01139 -0.02027 0.02396 0.02143 -0.10426 125 4ZZ -0.01395 -0.00101 -0.00456 0.00812 0.00992 126 4XY 0.00531 0.00549 0.01548 0.00204 0.01543 127 4XZ 0.00012 -0.00135 -0.00103 -0.00233 -0.00145 128 4YZ -0.00275 0.00755 0.01873 0.00357 0.00853 129 13 C 1S -0.01350 -0.00362 -0.02186 -0.00450 0.00362 130 2S 0.11260 0.04211 0.00663 0.14883 0.00255 131 2PX 0.12254 -0.06602 0.20852 0.03861 -0.07403 132 2PY 0.23567 -0.06585 -0.00574 0.09632 -0.00692 133 2PZ 0.14892 -0.41243 -0.15934 -0.01364 -0.10246 134 3S -0.89124 0.48958 -0.03087 -0.64915 0.14698 135 3PX -0.23722 0.12142 -0.37099 0.11910 0.16035 136 3PY -0.96786 0.57284 -0.05901 -0.33619 0.22312 137 3PZ -0.16660 0.50462 0.12420 0.24299 0.23337 138 4XX 0.02968 -0.00064 -0.01303 0.02558 0.00140 139 4YY -0.04431 0.00259 -0.00582 -0.00738 0.01317 140 4ZZ -0.00753 0.01145 -0.00756 -0.00724 -0.00422 141 4XY 0.04007 -0.01132 0.00137 0.01142 -0.00735 142 4XZ 0.05183 -0.02681 0.04075 0.02409 -0.00587 143 4YZ -0.00530 -0.03151 0.01360 0.01080 -0.00396 144 14 C 1S 0.00808 0.04582 0.02669 0.02257 0.00563 145 2S -0.04509 0.01169 -0.00734 -0.06213 0.01163 146 2PX 0.30932 -0.22158 0.07148 0.43454 0.12741 147 2PY -0.07804 -0.28803 0.18230 -0.18097 -0.03846 148 2PZ 0.18047 -0.03096 -0.25003 0.42441 0.20699 149 3S 0.18971 -0.65707 0.14869 0.40489 -0.24843 150 3PX -0.49210 0.57197 -0.10020 -0.92242 -0.14107 151 3PY 0.28094 -0.19846 -0.21567 0.33047 -0.17178 152 3PZ -0.06862 -0.26168 0.30157 -0.59736 -0.44785 153 4XX -0.01284 0.01562 0.01511 -0.01318 0.00163 154 4YY -0.02591 0.05292 0.01705 0.03670 0.00494 155 4ZZ 0.05583 -0.03261 0.00067 0.00829 -0.00179 156 4XY 0.01240 0.00068 0.00625 -0.00868 -0.00268 157 4XZ -0.03952 -0.02299 -0.04245 -0.02971 0.00268 158 4YZ 0.03057 0.00057 -0.01014 0.00082 -0.00152 159 15 C 1S 0.00808 -0.04582 0.02669 -0.02257 -0.00563 160 2S -0.04508 -0.01170 -0.00733 0.06214 -0.01163 161 2PX 0.30928 0.22162 0.07149 -0.43455 -0.12741 162 2PY 0.07807 -0.28799 -0.18231 -0.18097 -0.03846 163 2PZ 0.18046 0.03102 -0.25002 -0.42442 -0.20698 164 3S 0.18959 0.65711 0.14867 -0.40491 0.24843 165 3PX -0.49201 -0.57205 -0.10021 0.92244 0.14107 166 3PY -0.28089 -0.19853 0.21567 0.33047 -0.17179 167 3PZ -0.06865 0.26165 0.30157 0.59736 0.44784 168 4XX -0.01284 -0.01563 0.01510 0.01318 -0.00163 169 4YY -0.02590 -0.05292 0.01705 -0.03670 -0.00494 170 4ZZ 0.05583 0.03262 0.00067 -0.00830 0.00179 171 4XY -0.01240 0.00067 -0.00625 -0.00867 -0.00268 172 4XZ -0.03952 0.02299 -0.04245 0.02971 -0.00268 173 4YZ -0.03057 0.00057 0.01014 0.00082 -0.00152 174 16 C 1S -0.01350 0.00362 -0.02186 0.00450 -0.00362 175 2S 0.11260 -0.04210 0.00662 -0.14883 -0.00255 176 2PX 0.12252 0.06602 0.20852 -0.03861 0.07403 177 2PY -0.23566 -0.06588 0.00574 0.09633 -0.00693 178 2PZ 0.14886 0.41245 -0.15932 0.01363 0.10246 179 3S -0.89117 -0.48973 -0.03087 0.64917 -0.14699 180 3PX -0.23719 -0.12145 -0.37098 -0.11909 -0.16035 181 3PY 0.96776 0.57301 0.05901 -0.33622 0.22314 182 3PZ -0.16653 -0.50464 0.12416 -0.24298 -0.23337 183 4XX 0.02968 0.00065 -0.01303 -0.02558 -0.00140 184 4YY -0.04431 -0.00260 -0.00582 0.00738 -0.01318 185 4ZZ -0.00753 -0.01145 -0.00756 0.00724 0.00422 186 4XY -0.04007 -0.01132 -0.00137 0.01142 -0.00735 187 4XZ 0.05183 0.02681 0.04075 -0.02410 0.00587 188 4YZ 0.00530 -0.03152 -0.01360 0.01080 -0.00396 189 17 H 1S -0.07045 0.08757 -0.07924 -0.06264 0.08929 190 2S -0.28082 0.22865 -0.09080 -0.01586 0.09099 191 18 H 1S 0.10866 0.19331 0.15201 0.12336 0.01452 192 2S 0.06212 -0.31828 -0.01938 0.04453 -0.11938 193 19 H 1S 0.10868 -0.19332 0.15200 -0.12336 -0.01452 194 2S 0.06208 0.31832 -0.01937 -0.04453 0.11938 195 20 H 1S -0.07043 -0.08759 -0.07925 0.06265 -0.08929 196 2S -0.28078 -0.22871 -0.09080 0.01587 -0.09100 197 21 C 1S 0.02489 0.00000 -0.00156 0.00000 0.00000 198 2S -0.37103 -0.00002 -0.07372 0.00000 -0.00001 199 2PX -0.28340 -0.00001 0.01400 0.00000 0.00001 200 2PY 0.00000 0.02306 0.00000 0.25274 -0.06884 201 2PZ 0.28980 0.00000 0.04210 0.00000 0.00000 202 3S 1.31490 0.00011 -0.09615 -0.00002 0.00002 203 3PX 0.98063 0.00008 0.20175 -0.00001 0.00000 204 3PY -0.00002 0.28667 0.00001 -0.41694 0.24205 205 3PZ -1.11272 -0.00007 -0.09903 0.00001 -0.00001 206 4XX 0.02822 0.00000 0.03860 0.00000 0.00000 207 4YY -0.00224 0.00000 -0.03163 0.00000 0.00000 208 4ZZ -0.03735 0.00000 -0.02824 0.00000 0.00000 209 4XY 0.00000 0.02999 0.00000 -0.01804 0.01201 210 4XZ -0.04644 0.00000 -0.02731 0.00000 0.00000 211 4YZ 0.00000 -0.04702 0.00000 0.00970 -0.00560 212 22 H 1S 0.28757 0.00002 0.10339 0.00000 0.00000 213 2S 0.28670 0.00003 0.07127 -0.00001 0.00000 214 23 H 1S -0.01364 0.00000 -0.08862 0.00000 0.00000 215 2S 0.20541 0.00001 0.04559 0.00000 0.00001 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 -0.01812 -0.04078 0.00023 -0.00142 0.00072 2 2S -0.21138 -0.06596 0.10289 -0.06198 -0.20955 3 2PX -0.13408 -0.09361 -0.03689 -0.39979 -0.16058 4 2PY 0.02558 -0.37046 0.04461 -0.15088 -0.11017 5 2PZ -0.01707 0.18782 -0.07238 -0.33026 -0.10635 6 3S 0.44026 0.60827 -0.13307 0.20151 -0.20312 7 3PX 0.25313 -0.11225 0.13994 0.78371 -0.10705 8 3PY -0.04478 -0.56614 -0.16367 0.07095 0.20100 9 3PZ -0.08155 -0.16164 0.07715 0.78816 0.38776 10 4XX -0.01572 -0.00994 0.00946 0.00225 -0.06537 11 4YY -0.03645 -0.07610 -0.00166 -0.03623 -0.00261 12 4ZZ 0.00371 0.01769 0.01570 0.01702 0.02149 13 4XY 0.03210 -0.00142 0.00558 -0.00840 -0.01199 14 4XZ 0.02620 0.03988 -0.02546 -0.01334 0.04001 15 4YZ -0.01340 -0.00184 0.00067 0.00176 0.02813 16 2 H 1S -0.25314 -0.23694 0.02278 -0.03698 -0.06533 17 2S 0.15023 0.15548 0.07064 -0.06256 -0.18982 18 3 C 1S -0.01812 0.04078 0.00023 0.00142 0.00072 19 2S -0.21137 0.06597 0.10291 0.06196 -0.20955 20 2PX -0.13407 0.09360 -0.03684 0.39979 -0.16059 21 2PY -0.02559 -0.37047 -0.04462 -0.15088 0.11018 22 2PZ -0.01709 -0.18783 -0.07233 0.33026 -0.10636 23 3S 0.44027 -0.60829 -0.13304 -0.20149 -0.20318 24 3PX 0.25312 0.11224 0.13983 -0.78372 -0.10706 25 3PY 0.04483 -0.56613 0.16374 0.07095 -0.20105 26 3PZ -0.08152 0.16165 0.07702 -0.78815 0.38779 27 4XX -0.01572 0.00994 0.00946 -0.00225 -0.06537 28 4YY -0.03644 0.07610 -0.00166 0.03623 -0.00261 29 4ZZ 0.00371 -0.01769 0.01570 -0.01702 0.02149 30 4XY -0.03211 -0.00141 -0.00558 -0.00839 0.01199 31 4XZ 0.02620 -0.03988 -0.02546 0.01335 0.04001 32 4YZ 0.01340 -0.00184 -0.00067 0.00176 -0.02814 33 4 H 1S -0.25314 0.23695 0.02278 0.03698 -0.06534 34 2S 0.15024 -0.15548 0.07067 0.06254 -0.18983 35 5 C 1S 0.04380 -0.00504 0.02375 -0.01188 -0.02794 36 2S -0.20132 0.01689 -0.14648 0.03953 -0.05347 37 2PX 0.12848 0.02243 0.04769 -0.17450 0.18683 38 2PY 0.54462 -0.00789 0.26535 -0.27091 -0.25974 39 2PZ -0.10507 0.24108 0.17049 -0.22706 -0.08598 40 3S -0.42363 -0.17129 -0.14454 0.57228 0.06883 41 3PX -0.23871 0.64441 -0.25695 0.74078 -0.62892 42 3PY -0.82321 0.45531 -0.40546 0.54322 1.11996 43 3PZ 0.16481 -0.70175 -0.20102 0.34882 0.32997 44 4XX -0.03156 -0.00771 -0.01648 0.03152 0.01969 45 4YY 0.08232 -0.02126 0.03771 -0.04568 -0.06941 46 4ZZ -0.03689 0.01604 -0.02148 0.01380 -0.00971 47 4XY 0.02117 -0.03081 -0.00728 0.00316 -0.00359 48 4XZ 0.00955 -0.00845 0.00084 -0.01194 0.03461 49 4YZ 0.00368 0.01241 0.00721 0.00668 -0.02697 50 6 C 1S -0.00047 -0.01626 -0.01663 -0.00309 0.01160 51 2S 0.01492 -0.00806 -0.08097 0.10702 -0.00542 52 2PX 0.02910 0.27506 0.05325 -0.15735 0.03905 53 2PY -0.07561 0.32308 0.02051 0.15416 0.11756 54 2PZ 0.00347 -0.00709 0.00679 -0.04187 0.23170 55 3S 0.24380 -0.70993 0.48738 -0.69517 0.32405 56 3PX -0.24420 -0.14885 -0.06487 0.36834 0.16933 57 3PY 0.17189 -0.26239 -0.13971 0.15926 -0.46690 58 3PZ 0.08101 -0.40217 0.15914 -0.42163 -0.38718 59 4XX 0.03495 0.00576 -0.00379 -0.00510 0.01613 60 4YY -0.02367 -0.04963 -0.01071 -0.01304 0.01547 61 4ZZ 0.00172 0.00705 -0.01152 0.01428 -0.01652 62 4XY 0.01047 -0.00251 0.00818 0.00171 -0.04572 63 4XZ -0.03742 0.04413 0.00927 0.01989 -0.04292 64 4YZ -0.02320 -0.00814 -0.01521 -0.00707 0.00243 65 7 H 1S -0.03169 -0.21088 -0.09561 0.00678 0.14482 66 2S 0.08981 -0.06251 0.02939 -0.00037 -0.45867 67 8 C 1S -0.00047 0.01626 -0.01663 0.00309 0.01160 68 2S 0.01492 0.00805 -0.08099 -0.10701 -0.00542 69 2PX 0.02910 -0.27505 0.05330 0.15733 0.03905 70 2PY 0.07561 0.32308 -0.02051 0.15416 -0.11756 71 2PZ 0.00345 0.00709 0.00680 0.04187 0.23168 72 3S 0.24379 0.70995 0.48743 0.69508 0.32411 73 3PX -0.24421 0.14884 -0.06497 -0.36831 0.16930 74 3PY -0.17185 -0.26238 0.13981 0.15925 0.46687 75 3PZ 0.08103 0.40218 0.15919 0.42161 -0.38712 76 4XX 0.03495 -0.00576 -0.00379 0.00510 0.01614 77 4YY -0.02367 0.04963 -0.01071 0.01304 0.01547 78 4ZZ 0.00172 -0.00705 -0.01152 -0.01428 -0.01652 79 4XY -0.01047 -0.00251 -0.00818 0.00171 0.04571 80 4XZ -0.03742 -0.04412 0.00927 -0.01990 -0.04292 81 4YZ 0.02320 -0.00814 0.01521 -0.00707 -0.00243 82 9 H 1S -0.03168 0.21088 -0.09562 -0.00676 0.14482 83 2S 0.08980 0.06250 0.02937 0.00036 -0.45865 84 10 C 1S 0.04380 0.00504 0.02375 0.01188 -0.02794 85 2S -0.20133 -0.01690 -0.14650 -0.03951 -0.05346 86 2PX 0.12847 -0.02243 0.04772 0.17449 0.18683 87 2PY -0.54466 -0.00788 -0.26541 -0.27086 0.25972 88 2PZ -0.10507 -0.24107 0.17054 0.22705 -0.08599 89 3S -0.42367 0.17129 -0.14468 -0.57223 0.06876 90 3PX -0.23868 -0.64442 -0.25705 -0.74074 -0.62895 91 3PY 0.82325 0.45534 0.40551 0.54316 -1.11988 92 3PZ 0.16481 0.70173 -0.20108 -0.34881 0.32998 93 4XX -0.03157 0.00770 -0.01649 -0.03152 0.01970 94 4YY 0.08232 0.02127 0.03772 0.04568 -0.06941 95 4ZZ -0.03690 -0.01604 -0.02148 -0.01380 -0.00971 96 4XY -0.02117 -0.03081 0.00729 0.00316 0.00359 97 4XZ 0.00955 0.00845 0.00084 0.01194 0.03461 98 4YZ -0.00368 0.01241 -0.00721 0.00669 0.02697 99 11 O 1S -0.02335 -0.00912 -0.01157 0.00684 -0.00471 100 2S 0.07816 0.02310 0.05629 -0.03543 -0.00096 101 2PX 0.05957 -0.14072 -0.00382 -0.07379 0.02606 102 2PY 0.24097 -0.04037 0.11346 -0.10527 -0.16737 103 2PZ -0.05838 0.13820 0.06764 -0.03212 -0.13151 104 3S -0.20218 0.30002 -0.15465 0.18794 0.54976 105 3PX 0.03708 -0.06658 0.03176 -0.07902 0.14174 106 3PY 0.11835 0.16370 0.06253 -0.02264 0.21211 107 3PZ 0.01345 0.07692 0.00300 -0.02367 0.06245 108 4XX 0.03141 -0.00402 0.02130 -0.00427 -0.00815 109 4YY -0.09844 0.01632 -0.04866 0.05105 0.06892 110 4ZZ 0.02932 0.00579 0.02590 -0.03900 -0.01573 111 4XY -0.01373 0.02033 0.00127 -0.00420 0.01736 112 4XZ -0.00270 -0.00533 0.00057 0.00691 0.00352 113 4YZ -0.01397 0.00593 -0.00051 -0.01021 0.00922 114 12 O 1S -0.02335 0.00912 -0.01157 -0.00684 -0.00471 115 2S 0.07816 -0.02310 0.05630 0.03542 -0.00096 116 2PX 0.05957 0.14072 -0.00381 0.07379 0.02606 117 2PY -0.24099 -0.04038 -0.11348 -0.10525 0.16737 118 2PZ -0.05838 -0.13820 0.06765 0.03211 -0.13151 119 3S -0.20218 -0.30003 -0.15464 -0.18792 0.54975 120 3PX 0.03708 0.06658 0.03177 0.07902 0.14174 121 3PY -0.11837 0.16370 -0.06256 -0.02262 -0.21212 122 3PZ 0.01345 -0.07692 0.00300 0.02367 0.06245 123 4XX 0.03141 0.00402 0.02130 0.00426 -0.00815 124 4YY -0.09845 -0.01632 -0.04866 -0.05104 0.06892 125 4ZZ 0.02932 -0.00579 0.02591 0.03900 -0.01573 126 4XY 0.01373 0.02033 -0.00128 -0.00421 -0.01736 127 4XZ -0.00270 0.00533 0.00057 -0.00691 0.00352 128 4YZ 0.01397 0.00592 0.00051 -0.01022 -0.00922 129 13 C 1S -0.00931 -0.01428 0.00973 -0.00995 0.00313 130 2S 0.12893 -0.10503 -0.21157 -0.02946 0.09010 131 2PX 0.05863 0.02462 0.04107 0.23063 0.15483 132 2PY 0.09200 0.00335 -0.17941 0.00801 0.20157 133 2PZ 0.21117 0.05724 -0.58634 0.04928 -0.12561 134 3S -0.28119 0.15209 0.05185 0.27842 -0.70526 135 3PX -0.20225 -0.00464 -0.35987 -0.23412 -0.73636 136 3PY -0.26941 0.09953 -0.04478 -0.01772 -0.78580 137 3PZ -0.40187 -0.22183 1.08584 -0.19382 0.12089 138 4XX 0.00338 0.00509 -0.02019 0.00908 -0.03119 139 4YY -0.00338 -0.03115 -0.02385 -0.01333 -0.02086 140 4ZZ 0.00787 -0.00267 0.00615 -0.00609 0.02940 141 4XY 0.00217 0.00580 -0.01180 0.00027 0.02206 142 4XZ -0.00100 0.01845 0.02600 0.01113 0.00057 143 4YZ -0.00607 -0.01137 0.03141 0.01465 0.03540 144 14 C 1S 0.00221 0.00056 0.00174 0.01226 0.00373 145 2S -0.02061 -0.00844 -0.07721 -0.06536 -0.04868 146 2PX -0.04076 0.04337 0.13936 -0.04958 0.06644 147 2PY -0.00046 -0.03892 0.00195 0.08725 -0.01942 148 2PZ -0.08017 0.01653 0.00965 -0.16435 -0.05137 149 3S 0.03822 -0.10170 0.52274 -0.11139 0.51883 150 3PX 0.05674 -0.03552 -0.51318 0.40286 -0.38151 151 3PY 0.04291 0.10461 -0.01898 -0.17036 0.13301 152 3PZ 0.14571 -0.03007 0.10087 0.12192 0.33555 153 4XX -0.00011 -0.01066 0.00204 0.00083 0.01412 154 4YY -0.00659 0.00643 -0.00831 -0.01365 -0.02037 155 4ZZ 0.00329 0.00387 0.00858 0.00639 0.01560 156 4XY -0.00585 -0.00115 0.04297 0.00741 0.04337 157 4XZ -0.00682 0.00001 -0.01177 -0.01139 -0.03197 158 4YZ 0.00126 0.00055 -0.00672 -0.00426 0.01458 159 15 C 1S 0.00221 -0.00056 0.00174 -0.01226 0.00373 160 2S -0.02061 0.00843 -0.07720 0.06537 -0.04867 161 2PX -0.04076 -0.04336 0.13937 0.04956 0.06646 162 2PY 0.00045 -0.03893 -0.00193 0.08725 0.01940 163 2PZ -0.08018 -0.01653 0.00968 0.16434 -0.05137 164 3S 0.03825 0.10174 0.52276 0.11132 0.51885 165 3PX 0.05672 0.03549 -0.51325 -0.40278 -0.38156 166 3PY -0.04292 0.10462 0.01894 -0.17036 -0.13300 167 3PZ 0.14574 0.03009 0.10086 -0.12192 0.33555 168 4XX -0.00011 0.01066 0.00204 -0.00083 0.01412 169 4YY -0.00659 -0.00643 -0.00831 0.01365 -0.02038 170 4ZZ 0.00329 -0.00387 0.00857 -0.00639 0.01560 171 4XY 0.00585 -0.00115 -0.04297 0.00742 -0.04337 172 4XZ -0.00682 -0.00001 -0.01177 0.01140 -0.03197 173 4YZ -0.00126 0.00055 0.00672 -0.00426 -0.01458 174 16 C 1S -0.00931 0.01428 0.00973 0.00995 0.00313 175 2S 0.12894 0.10502 -0.21157 0.02950 0.09010 176 2PX 0.05863 -0.02461 0.04104 -0.23063 0.15483 177 2PY -0.09200 0.00336 0.17941 0.00799 -0.20157 178 2PZ 0.21118 -0.05727 -0.58634 -0.04918 -0.12561 179 3S -0.28123 -0.15211 0.05179 -0.27844 -0.70528 180 3PX -0.20226 0.00460 -0.35985 0.23417 -0.73637 181 3PY 0.26943 0.09953 0.04480 -0.01773 0.78582 182 3PZ -0.40190 0.22190 1.08584 0.19365 0.12091 183 4XX 0.00339 -0.00509 -0.02019 -0.00908 -0.03119 184 4YY -0.00338 0.03115 -0.02384 0.01334 -0.02086 185 4ZZ 0.00787 0.00267 0.00615 0.00609 0.02939 186 4XY -0.00217 0.00580 0.01180 0.00027 -0.02206 187 4XZ -0.00100 -0.01844 0.02600 -0.01114 0.00057 188 4YZ 0.00606 -0.01137 -0.03140 0.01465 -0.03540 189 17 H 1S -0.00807 -0.06886 -0.11240 -0.10830 -0.02522 190 2S -0.06025 0.10961 -0.19170 -0.02593 -0.27361 191 18 H 1S 0.01689 0.01327 0.04534 -0.00788 0.04411 192 2S -0.00190 0.04213 0.19459 -0.15638 0.21059 193 19 H 1S 0.01688 -0.01326 0.04534 0.00787 0.04410 194 2S -0.00188 -0.04212 0.19462 0.15635 0.21061 195 20 H 1S -0.00807 0.06885 -0.11238 0.10832 -0.02523 196 2S -0.06026 -0.10962 -0.19170 0.02597 -0.27362 197 21 C 1S 0.00917 0.00000 -0.04495 0.00000 -0.02603 198 2S 0.02259 0.00000 0.23367 -0.00002 0.16803 199 2PX -0.30762 0.00000 -0.01652 0.00000 -0.42612 200 2PY 0.00000 0.24028 -0.00001 0.01159 0.00000 201 2PZ 0.09500 0.00000 -0.18835 0.00002 -0.06988 202 3S 0.37598 -0.00002 -0.84429 0.00007 0.46960 203 3PX 0.56114 0.00001 0.20657 -0.00002 1.06094 204 3PY 0.00001 -0.40507 0.00002 0.00896 -0.00001 205 3PZ -0.16039 0.00000 0.24414 -0.00001 -0.12428 206 4XX -0.01536 0.00000 0.05122 0.00000 -0.00164 207 4YY 0.03612 0.00000 -0.03414 0.00000 0.05673 208 4ZZ 0.01553 0.00000 -0.04047 0.00000 -0.03230 209 4XY 0.00000 -0.00735 0.00000 0.00266 0.00000 210 4XZ -0.01521 0.00000 0.00874 0.00000 -0.06579 211 4YZ 0.00000 -0.01391 0.00000 -0.00038 0.00000 212 22 H 1S -0.03702 0.00000 -0.01248 0.00000 -0.07742 213 2S 0.18550 0.00000 0.07789 -0.00002 0.26144 214 23 H 1S 0.02599 -0.00001 -0.24725 0.00002 -0.27884 215 2S -0.01838 0.00000 -0.15466 0.00001 0.00420 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 -0.00339 0.00809 -0.01632 0.00968 0.00236 2 2S -0.02638 0.16271 -0.04353 -0.21296 0.09990 3 2PX -0.11058 -0.01816 -0.10203 0.19165 -0.07226 4 2PY 0.11198 0.22013 -0.26946 -0.24700 0.31374 5 2PZ -0.03746 -0.03578 0.01105 -0.07113 0.00820 6 3S -0.21087 1.03442 -1.06209 1.02278 1.03952 7 3PX 0.20714 0.41188 0.00254 -0.33143 0.57062 8 3PY -0.34356 -1.22565 1.21677 0.85589 -1.51088 9 3PZ 0.03327 -0.28122 0.15778 0.21216 -0.19617 10 4XX -0.00007 0.01951 -0.00853 -0.02256 -0.00754 11 4YY -0.01961 0.05567 -0.05396 0.00891 0.06498 12 4ZZ 0.01558 0.00604 0.01455 -0.01405 -0.00526 13 4XY -0.02036 -0.00399 0.00798 -0.01217 -0.00562 14 4XZ -0.00754 -0.04199 0.02628 0.00522 -0.01275 15 4YZ 0.01704 0.00169 -0.00648 -0.01825 0.00110 16 2 H 1S 0.08497 0.08542 -0.12302 0.05183 -0.00660 17 2S 0.11983 0.38880 -0.17226 -0.62232 0.62161 18 3 C 1S -0.00339 -0.00809 0.01632 0.00968 -0.00236 19 2S -0.02644 -0.16269 0.04352 -0.21297 -0.09990 20 2PX -0.11059 0.01821 0.10202 0.19166 0.07226 21 2PY -0.11189 0.22016 -0.26947 0.24701 0.31374 22 2PZ -0.03746 0.03579 -0.01105 -0.07113 -0.00820 23 3S -0.21126 -1.03437 1.06208 1.02274 -1.03952 24 3PX 0.20700 -0.41198 -0.00250 -0.33148 -0.57064 25 3PY 0.34310 -1.22574 1.21678 -0.85597 -1.51086 26 3PZ 0.03340 0.28121 -0.15777 0.21216 0.19615 27 4XX -0.00008 -0.01950 0.00853 -0.02256 0.00754 28 4YY -0.01964 -0.05566 0.05396 0.00890 -0.06498 29 4ZZ 0.01558 -0.00605 -0.01455 -0.01405 0.00526 30 4XY 0.02036 -0.00400 0.00798 0.01217 -0.00562 31 4XZ -0.00753 0.04199 -0.02627 0.00522 0.01275 32 4YZ -0.01704 0.00170 -0.00648 0.01825 0.00110 33 4 H 1S 0.08494 -0.08545 0.12302 0.05183 0.00660 34 2S 0.11968 -0.38883 0.17227 -0.62236 -0.62159 35 5 C 1S 0.00389 -0.02543 0.02216 -0.01368 -0.02311 36 2S -0.21276 -0.16457 -0.09364 -0.02736 -0.19392 37 2PX -0.06310 0.14605 -0.02426 0.03425 -0.09548 38 2PY -0.14641 -0.17962 0.14783 0.12497 -0.00482 39 2PZ 0.03592 0.13076 -0.00189 0.22383 -0.01086 40 3S 0.89624 0.13001 0.56917 -0.43313 -0.60654 41 3PX -0.00700 -0.00308 0.07102 0.37641 0.26722 42 3PY -0.21326 1.40131 -1.23368 0.70990 0.99148 43 3PZ -0.23666 -0.12594 0.02252 -0.67386 0.17307 44 4XX -0.01686 0.00117 0.00533 0.03487 -0.01687 45 4YY 0.03931 -0.10590 0.02698 -0.10279 -0.11901 46 4ZZ -0.01751 0.00973 -0.00512 0.01166 0.02775 47 4XY 0.00921 -0.00555 -0.00927 -0.00549 -0.03031 48 4XZ 0.01086 0.02721 -0.01921 0.00065 0.03324 49 4YZ -0.01001 -0.01105 0.02536 -0.01907 0.00195 50 6 C 1S 0.00752 0.01461 0.00381 0.00376 -0.00935 51 2S -0.04687 -0.04392 -0.11320 0.08932 -0.15174 52 2PX -0.31710 0.12088 0.17062 -0.12562 0.21018 53 2PY -0.04079 -0.07148 -0.54579 0.02997 0.00939 54 2PZ -0.25305 0.15065 0.01239 -0.13132 -0.03250 55 3S -0.36314 -0.91500 1.94422 -0.67958 -0.40711 56 3PX 0.36132 -0.00058 -0.68873 0.34793 -0.52815 57 3PY 0.26774 -0.38847 2.22833 0.09654 -0.59756 58 3PZ 0.29095 -0.61587 0.22360 0.08234 -0.09423 59 4XX 0.02656 -0.02450 -0.03144 -0.01553 -0.01465 60 4YY -0.01187 0.00836 0.08143 0.02346 -0.00933 61 4ZZ -0.02496 0.00725 -0.01315 -0.00340 -0.00709 62 4XY -0.05036 -0.00075 0.00204 0.01880 0.00852 63 4XZ -0.00840 0.01539 0.00626 0.02960 0.05381 64 4YZ 0.02089 -0.00433 -0.00051 -0.03560 -0.00631 65 7 H 1S 0.07085 0.02497 -0.02873 -0.12746 -0.15051 66 2S 0.06801 -0.23235 0.60240 0.24195 0.09946 67 8 C 1S 0.00751 -0.01462 -0.00381 0.00376 0.00935 68 2S -0.04685 0.04394 0.11320 0.08932 0.15174 69 2PX -0.31714 -0.12076 -0.17063 -0.12564 -0.21018 70 2PY 0.04076 -0.07148 -0.54579 -0.02999 0.00940 71 2PZ -0.25312 -0.15057 -0.01238 -0.13131 0.03251 72 3S -0.36280 0.91514 -1.94421 -0.67958 0.40709 73 3PX 0.36124 0.00043 0.68877 0.34800 0.52816 74 3PY -0.26788 -0.38839 2.22833 -0.09653 -0.59759 75 3PZ 0.29123 0.61579 -0.22362 0.08229 0.09421 76 4XX 0.02657 0.02449 0.03144 -0.01553 0.01465 77 4YY -0.01187 -0.00836 -0.08143 0.02346 0.00933 78 4ZZ -0.02496 -0.00724 0.01315 -0.00340 0.00709 79 4XY 0.05036 -0.00077 0.00204 -0.01880 0.00853 80 4XZ -0.00840 -0.01539 -0.00626 0.02960 -0.05381 81 4YZ -0.02089 -0.00432 -0.00051 0.03560 -0.00631 82 9 H 1S 0.07085 -0.02500 0.02874 -0.12745 0.15052 83 2S 0.06813 0.23235 -0.60242 0.24189 -0.09948 84 10 C 1S 0.00390 0.02543 -0.02216 -0.01368 0.02311 85 2S -0.21269 0.16464 0.09364 -0.02737 0.19392 86 2PX -0.06314 -0.14603 0.02427 0.03425 0.09547 87 2PY 0.14635 -0.17968 0.14783 -0.12497 -0.00482 88 2PZ 0.03586 -0.13077 0.00189 0.22383 0.01086 89 3S 0.89610 -0.13030 -0.56916 -0.43306 0.60657 90 3PX -0.00701 0.00311 -0.07106 0.37637 -0.26717 91 3PY 0.21377 1.40129 -1.23369 -0.70989 0.99151 92 3PZ -0.23660 0.12602 -0.02252 -0.67387 -0.17308 93 4XX -0.01686 -0.00117 -0.00533 0.03487 0.01687 94 4YY 0.03935 0.10589 -0.02698 -0.10279 0.11901 95 4ZZ -0.01751 -0.00972 0.00512 0.01165 -0.02776 96 4XY -0.00921 -0.00554 -0.00927 0.00548 -0.03030 97 4XZ 0.01085 -0.02721 0.01921 0.00065 -0.03324 98 4YZ 0.01000 -0.01105 0.02535 0.01907 0.00195 99 11 O 1S 0.01269 -0.01349 0.00351 -0.01908 -0.01511 100 2S -0.09942 0.12189 0.11956 0.17699 0.10437 101 2PX -0.05569 0.10575 0.06189 0.01630 -0.04043 102 2PY 0.08900 -0.20147 0.13474 -0.23323 -0.22618 103 2PZ 0.00790 0.02247 0.00756 0.07724 -0.07134 104 3S -0.26323 0.57345 -0.86045 0.36509 0.58430 105 3PX 0.03200 -0.00411 -0.08852 0.00842 0.05369 106 3PY -0.31723 0.40733 -0.23378 0.60510 0.58260 107 3PZ 0.01260 0.00350 -0.03723 0.05362 0.06605 108 4XX -0.02078 0.02470 0.02215 0.05855 0.02977 109 4YY -0.04892 0.10347 -0.01046 0.08968 0.08636 110 4ZZ -0.02328 0.02583 0.05001 0.03985 0.03314 111 4XY -0.00434 0.01032 -0.01075 -0.00610 -0.00026 112 4XZ 0.01752 -0.00712 0.02764 -0.00662 -0.01513 113 4YZ 0.00168 0.02032 -0.00952 0.02472 0.00601 114 12 O 1S 0.01269 0.01349 -0.00351 -0.01908 0.01511 115 2S -0.09946 -0.12186 -0.11956 0.17698 -0.10437 116 2PX -0.05573 -0.10573 -0.06188 0.01630 0.04043 117 2PY -0.08907 -0.20144 0.13474 0.23322 -0.22619 118 2PZ 0.00789 -0.02247 -0.00756 0.07724 0.07134 119 3S -0.26343 -0.57339 0.86045 0.36507 -0.58431 120 3PX 0.03202 0.00410 0.08851 0.00840 -0.05367 121 3PY 0.31737 0.40724 -0.23378 -0.60508 0.58262 122 3PZ 0.01260 -0.00351 0.03723 0.05362 -0.06605 123 4XX -0.02079 -0.02470 -0.02215 0.05855 -0.02977 124 4YY -0.04895 -0.10345 0.01046 0.08968 -0.08636 125 4ZZ -0.02329 -0.02582 -0.05001 0.03985 -0.03315 126 4XY 0.00434 0.01032 -0.01075 0.00610 -0.00026 127 4XZ 0.01752 0.00712 -0.02764 -0.00662 0.01513 128 4YZ -0.00167 0.02032 -0.00952 -0.02472 0.00601 129 13 C 1S 0.01299 0.00564 -0.01619 -0.00442 -0.02484 130 2S -0.03483 0.11041 0.13797 -0.02798 -0.25543 131 2PX 0.33223 0.16907 0.16026 0.23962 0.01740 132 2PY -0.15871 0.28599 0.01301 0.02602 -0.16388 133 2PZ 0.11147 0.18664 -0.09577 -0.01066 -0.27228 134 3S -0.25643 -0.43798 -0.38194 -0.13477 0.51720 135 3PX -0.57286 -0.23009 -0.51780 -0.47821 -0.44479 136 3PY 0.18138 -0.55566 0.03696 0.14098 0.65694 137 3PZ -0.04332 -0.75977 0.25686 0.15809 1.10018 138 4XX -0.03681 -0.01935 -0.00425 0.00944 0.00050 139 4YY 0.06282 0.04357 0.02830 -0.01764 -0.04599 140 4ZZ -0.00622 -0.02622 -0.02729 -0.01327 -0.00552 141 4XY -0.01688 0.02517 -0.01876 -0.03069 -0.04710 142 4XZ 0.04182 0.00360 0.01589 -0.00041 0.03148 143 4YZ -0.00806 -0.03555 0.00082 -0.03131 0.04068 144 14 C 1S 0.00252 0.01347 -0.00064 0.01954 -0.01825 145 2S -0.35278 0.07839 0.07772 -0.07957 0.00281 146 2PX 0.11227 -0.05943 0.24834 -0.12442 0.29009 147 2PY -0.00017 0.18983 0.40861 0.17675 0.03464 148 2PZ -0.22312 -0.03642 -0.03604 -0.03208 -0.10651 149 3S 0.59638 -0.68296 -0.74398 0.58017 0.27068 150 3PX -0.29970 0.48126 -0.46910 0.28163 -1.15836 151 3PY 0.03202 -0.69071 -1.45770 -0.49567 -0.16813 152 3PZ 0.56777 0.02087 0.04569 -0.04568 0.38900 153 4XX 0.02302 0.02205 0.02696 0.01703 -0.00640 154 4YY -0.04741 -0.03252 -0.06148 0.00451 -0.00472 155 4ZZ -0.01236 0.01617 0.03037 -0.01308 0.01430 156 4XY -0.01974 -0.01565 0.00690 -0.00856 0.02287 157 4XZ 0.00973 -0.02944 -0.02385 -0.02073 0.00892 158 4YZ -0.00197 0.01435 -0.00844 -0.01335 -0.01912 159 15 C 1S 0.00252 -0.01347 0.00064 0.01954 0.01825 160 2S -0.35280 -0.07827 -0.07773 -0.07958 -0.00280 161 2PX 0.11229 0.05939 -0.24832 -0.12443 -0.29009 162 2PY 0.00023 0.18982 0.40862 -0.17674 0.03464 163 2PZ -0.22311 0.03649 0.03604 -0.03208 0.10651 164 3S 0.59660 0.68275 0.74401 0.58027 -0.27068 165 3PX -0.29985 -0.48115 0.46905 0.28161 1.15836 166 3PY -0.03227 -0.69069 -1.45773 0.49563 -0.16813 167 3PZ 0.56778 -0.02108 -0.04566 -0.04565 -0.38901 168 4XX 0.02301 -0.02206 -0.02696 0.01703 0.00640 169 4YY -0.04740 0.03254 0.06148 0.00451 0.00472 170 4ZZ -0.01237 -0.01616 -0.03037 -0.01308 -0.01430 171 4XY 0.01974 -0.01566 0.00690 0.00856 0.02287 172 4XZ 0.00974 0.02944 0.02385 -0.02073 -0.00892 173 4YZ 0.00197 0.01435 -0.00844 0.01334 -0.01912 174 16 C 1S 0.01299 -0.00565 0.01619 -0.00442 0.02484 175 2S -0.03485 -0.11040 -0.13796 -0.02799 0.25545 176 2PX 0.33218 -0.16918 -0.16025 0.23963 -0.01741 177 2PY 0.15882 0.28595 0.01299 -0.02605 -0.16388 178 2PZ 0.11142 -0.18669 0.09577 -0.01067 0.27227 179 3S -0.25631 0.43809 0.38187 -0.13477 -0.51722 180 3PX -0.57277 0.23030 0.51775 -0.47824 0.44480 181 3PY -0.18158 -0.55563 0.03704 -0.14085 0.65695 182 3PZ -0.04311 0.75981 -0.25686 0.15814 -1.10018 183 4XX -0.03680 0.01936 0.00425 0.00943 -0.00050 184 4YY 0.06281 -0.04359 -0.02830 -0.01763 0.04599 185 4ZZ -0.00621 0.02622 0.02729 -0.01327 0.00552 186 4XY 0.01689 0.02516 -0.01876 0.03069 -0.04710 187 4XZ 0.04182 -0.00362 -0.01589 -0.00041 -0.03148 188 4YZ 0.00805 -0.03555 0.00081 0.03132 0.04068 189 17 H 1S 0.08387 0.16282 -0.03386 -0.01345 -0.14052 190 2S -0.08237 -0.29829 -0.06602 0.10143 0.27282 191 18 H 1S 0.13517 0.06128 -0.06398 0.06429 -0.12944 192 2S 0.13436 -0.41275 -0.21410 -0.44104 0.58092 193 19 H 1S 0.13515 -0.06133 0.06397 0.06430 0.12944 194 2S 0.13451 0.41270 0.21414 -0.44104 -0.58092 195 20 H 1S 0.08380 -0.16285 0.03387 -0.01344 0.14052 196 2S -0.08225 0.29833 0.06598 0.10134 -0.27282 197 21 C 1S -0.00592 0.00000 0.00000 0.00744 0.00000 198 2S -0.00297 0.00000 0.00000 -0.14779 0.00001 199 2PX -0.13908 0.00003 -0.00001 -0.26857 0.00000 200 2PY 0.00006 0.39491 0.03806 0.00000 -0.34783 201 2PZ -0.24838 0.00004 0.00000 -0.02091 0.00000 202 3S 0.13173 -0.00004 0.00004 -0.24117 0.00000 203 3PX 0.05425 -0.00002 0.00002 0.79208 0.00001 204 3PY -0.00018 -1.22527 0.11374 -0.00001 1.64789 205 3PZ 1.15873 -0.00020 -0.00001 -0.04769 -0.00001 206 4XX -0.00249 0.00000 0.00000 -0.02779 0.00000 207 4YY -0.04586 0.00001 0.00000 -0.02021 0.00000 208 4ZZ 0.05352 -0.00001 0.00000 0.03132 0.00000 209 4XY 0.00000 -0.00787 0.02451 0.00000 0.01946 210 4XZ -0.01237 0.00000 0.00000 0.10754 0.00000 211 4YZ 0.00001 0.04276 0.00919 0.00000 -0.03959 212 22 H 1S -0.17450 0.00003 0.00000 -0.23982 0.00000 213 2S -0.41053 0.00007 0.00000 0.87752 0.00000 214 23 H 1S -0.07482 0.00001 -0.00001 0.41188 -0.00001 215 2S -0.53433 0.00009 0.00001 -0.69097 0.00002 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 0.00218 0.01037 -0.00096 -0.01975 0.01624 2 2S 0.24986 0.00876 0.01234 0.12448 -0.12940 3 2PX 0.04890 0.07601 0.05223 -0.30868 0.23256 4 2PY 0.05095 -0.00602 -0.12557 0.21001 0.03514 5 2PZ -0.04748 -0.01262 0.06368 0.24489 -0.23991 6 3S -0.49354 -0.08127 -0.19035 1.42226 -0.30014 7 3PX -0.00335 -0.07274 -0.19476 1.64140 -1.11632 8 3PY -0.21592 -0.14321 0.40913 -1.14385 -0.17819 9 3PZ 0.12833 0.01302 -0.21526 -1.31684 1.18796 10 4XX -0.01112 0.00846 0.02474 0.00434 -0.02835 11 4YY 0.02100 -0.01187 -0.02202 0.05567 -0.00438 12 4ZZ 0.01680 0.00739 -0.00591 0.00246 -0.00472 13 4XY -0.01905 -0.04890 0.00275 0.01534 -0.01506 14 4XZ -0.01351 -0.03056 -0.00592 0.00162 0.00344 15 4YZ -0.01510 0.02000 0.00060 -0.01684 0.01245 16 2 H 1S 0.04243 0.25424 0.00858 -0.20601 0.15318 17 2S 0.10039 -0.21947 -0.16540 1.33304 -0.78299 18 3 C 1S 0.00218 0.01037 0.00084 0.01975 -0.01624 19 2S 0.24986 0.00864 -0.01243 -0.12447 0.12940 20 2PX 0.04889 0.07536 -0.05308 0.30869 -0.23256 21 2PY -0.05092 0.00453 -0.12562 0.21000 0.03514 22 2PZ -0.04746 -0.01332 -0.06355 -0.24489 0.23992 23 3S -0.49358 -0.07883 0.19128 -1.42227 0.30013 24 3PX -0.00332 -0.07026 0.19555 -1.64142 1.11632 25 3PY 0.21581 0.14815 0.40741 -1.14377 -0.17820 26 3PZ 0.12826 0.01531 0.21514 1.31682 -1.18797 27 4XX -0.01112 0.00818 -0.02484 -0.00434 0.02835 28 4YY 0.02100 -0.01161 0.02216 -0.05568 0.00438 29 4ZZ 0.01680 0.00746 0.00583 -0.00246 0.00472 30 4XY 0.01905 0.04893 0.00220 0.01534 -0.01506 31 4XZ -0.01351 -0.03049 0.00627 -0.00162 -0.00344 32 4YZ 0.01510 -0.01999 0.00083 -0.01684 0.01245 33 4 H 1S 0.04243 0.25410 -0.01149 0.20604 -0.15317 34 2S 0.10038 -0.21734 0.16786 -1.33305 0.78299 35 5 C 1S 0.01094 0.01479 0.00086 -0.00635 -0.00228 36 2S -0.04947 0.15313 -0.33133 -0.30879 0.32276 37 2PX 0.12518 0.00407 -0.01559 0.06606 -0.13007 38 2PY -0.00583 -0.11898 0.04874 -0.08510 0.07328 39 2PZ 0.13160 0.06165 0.06383 0.07476 -0.09144 40 3S 0.84091 0.66319 1.20400 2.35528 -2.40485 41 3PX -0.18898 -0.03893 0.10333 -0.03226 0.39049 42 3PY -0.17380 -0.28241 0.09686 1.27910 -0.53043 43 3PZ -0.35944 -0.17256 -0.39850 -0.04844 0.16933 44 4XX 0.03987 0.01120 0.00640 -0.02496 -0.00263 45 4YY 0.02268 0.10857 -0.00354 0.05783 -0.04259 46 4ZZ -0.03184 -0.03952 -0.02190 -0.02339 0.03206 47 4XY 0.00704 0.02685 0.00445 0.00348 -0.00294 48 4XZ -0.01363 -0.00891 0.01129 -0.00389 0.00511 49 4YZ 0.00110 -0.00328 -0.01872 0.00679 0.00541 50 6 C 1S 0.00346 -0.01084 -0.00022 0.02318 -0.01864 51 2S 0.29089 0.32236 -0.02736 -0.02283 0.04158 52 2PX -0.08331 -0.01549 -0.26825 -0.17960 0.26134 53 2PY -0.13588 -0.18948 0.18695 0.01779 0.07887 54 2PZ -0.02524 0.05708 0.01418 0.17682 -0.13832 55 3S -0.79894 -0.70345 -0.37187 -1.44385 0.25049 56 3PX 0.23135 0.10557 1.23609 1.14322 -1.11384 57 3PY 0.51204 0.53678 -0.25615 -0.66730 -0.34607 58 3PZ 0.11848 0.06809 -0.33083 -1.11793 0.55694 59 4XX -0.01533 0.00757 -0.00608 -0.01016 0.00892 60 4YY 0.00748 -0.00165 -0.02955 -0.01785 -0.00767 61 4ZZ 0.04661 0.01122 0.00586 -0.00170 0.00269 62 4XY 0.00304 -0.01959 -0.01378 -0.01338 0.01593 63 4XZ -0.02425 -0.03755 0.00036 0.00781 0.00576 64 4YZ -0.01339 -0.02415 0.00441 0.00711 -0.00225 65 7 H 1S 0.05648 0.02403 0.05292 0.06721 -0.13268 66 2S 0.24094 0.24998 -0.53888 -0.77271 0.41522 67 8 C 1S 0.00346 -0.01083 0.00034 -0.02318 0.01864 68 2S 0.29089 0.32265 0.02371 0.02289 -0.04158 69 2PX -0.08335 -0.01242 0.26840 0.17960 -0.26135 70 2PY 0.13586 0.19161 0.18477 0.01783 0.07887 71 2PZ -0.02522 0.05693 -0.01484 -0.17681 0.13832 72 3S -0.79902 -0.69937 0.37975 1.44371 -0.25049 73 3PX 0.23157 0.09148 -1.23716 -1.14322 1.11383 74 3PY -0.51203 -0.53957 -0.25003 -0.66739 -0.34610 75 3PZ 0.11837 0.07176 0.33005 1.11795 -0.55695 76 4XX -0.01533 0.00764 0.00599 0.01016 -0.00891 77 4YY 0.00747 -0.00132 0.02957 0.01785 0.00767 78 4ZZ 0.04661 0.01115 -0.00598 0.00171 -0.00269 79 4XY -0.00304 0.01944 -0.01400 -0.01338 0.01594 80 4XZ -0.02424 -0.03755 0.00007 -0.00782 -0.00576 81 4YZ 0.01338 0.02420 0.00413 0.00712 -0.00225 82 9 H 1S 0.05648 0.02342 -0.05318 -0.06721 0.13269 83 2S 0.24083 0.25607 0.53603 0.77277 -0.41524 84 10 C 1S 0.01094 0.01478 -0.00103 0.00636 0.00228 85 2S -0.04954 0.15688 0.32954 0.30882 -0.32275 86 2PX 0.12518 0.00425 0.01557 -0.06607 0.13007 87 2PY 0.00582 0.11954 0.04737 -0.08508 0.07329 88 2PZ 0.13161 0.06093 -0.06450 -0.07475 0.09144 89 3S 0.84123 0.64959 -1.21142 -2.35517 2.40486 90 3PX -0.18897 -0.04009 -0.10287 0.03232 -0.39051 91 3PY 0.17378 0.28328 0.09359 1.27920 -0.53042 92 3PZ -0.35949 -0.16799 0.40036 0.04841 -0.16932 93 4XX 0.03987 0.01112 -0.00652 0.02496 0.00263 94 4YY 0.02268 0.10861 0.00229 -0.05781 0.04260 95 4ZZ -0.03184 -0.03927 0.02235 0.02338 -0.03207 96 4XY -0.00704 -0.02679 0.00476 0.00347 -0.00294 97 4XZ -0.01363 -0.00904 -0.01119 0.00388 -0.00511 98 4YZ -0.00110 0.00307 -0.01876 0.00679 0.00541 99 11 O 1S 0.00371 0.01224 0.00025 -0.00072 -0.00354 100 2S 0.04414 -0.15223 0.04802 -0.06665 -0.03202 101 2PX 0.12949 0.01442 0.00666 -0.01976 -0.03009 102 2PY 0.05070 0.24076 -0.02102 0.08355 -0.06380 103 2PZ 0.10345 -0.00827 0.07902 -0.02646 -0.02501 104 3S -0.35629 -0.17951 -0.24688 0.25478 0.28354 105 3PX -0.08864 -0.00499 -0.03448 0.04553 -0.04283 106 3PY -0.17116 -0.58219 0.01862 -0.18622 0.23499 107 3PZ -0.05698 -0.01411 0.00556 0.03006 0.00667 108 4XX 0.01603 -0.05355 0.03010 -0.01543 -0.01479 109 4YY -0.01015 -0.08106 -0.01049 -0.05540 0.02361 110 4ZZ 0.01141 -0.05267 0.02756 -0.01017 -0.01649 111 4XY -0.00005 -0.01582 0.00321 -0.00572 -0.00090 112 4XZ 0.01964 0.02271 0.01030 0.00747 -0.02659 113 4YZ 0.00770 0.00803 -0.00072 0.00339 -0.00528 114 12 O 1S 0.00371 0.01224 -0.00039 0.00072 0.00354 115 2S 0.04415 -0.15278 -0.04626 0.06663 0.03201 116 2PX 0.12949 0.01433 -0.00681 0.01977 0.03008 117 2PY -0.05071 -0.24099 -0.01825 0.08351 -0.06381 118 2PZ 0.10346 -0.00918 -0.07890 0.02646 0.02500 119 3S -0.35635 -0.17659 0.24890 -0.25484 -0.28353 120 3PX -0.08864 -0.00457 0.03453 -0.04555 0.04285 121 3PY 0.17117 0.58236 0.01192 -0.18610 0.23501 122 3PZ -0.05698 -0.01417 -0.00540 -0.03007 -0.00667 123 4XX 0.01604 -0.05389 -0.02948 0.01542 0.01479 124 4YY -0.01016 -0.08094 0.01142 0.05539 -0.02362 125 4ZZ 0.01141 -0.05298 -0.02695 0.01017 0.01649 126 4XY 0.00005 0.01586 0.00304 -0.00572 -0.00090 127 4XZ 0.01964 0.02259 -0.01055 -0.00747 0.02659 128 4YZ -0.00770 -0.00804 -0.00063 0.00339 -0.00528 129 13 C 1S 0.00737 -0.01310 0.03256 -0.01934 -0.00179 130 2S 0.28728 0.24774 -0.28509 0.06001 -0.10979 131 2PX 0.20200 -0.05654 0.18646 0.05173 -0.15882 132 2PY 0.40265 -0.01084 0.31082 -0.41257 -0.17730 133 2PZ -0.06498 -0.08029 -0.32520 0.07228 -0.01860 134 3S -1.32936 -0.48009 0.57872 0.74941 1.42872 135 3PX -0.75109 -0.29431 -0.84141 0.08219 0.72167 136 3PY -1.35722 -0.03913 -0.88700 1.77097 1.10988 137 3PZ 0.29334 -0.01205 1.57499 -0.11639 -0.24101 138 4XX -0.00798 0.03842 -0.04662 0.02141 0.02429 139 4YY 0.00251 -0.04752 0.04525 -0.03574 0.00767 140 4ZZ 0.00328 0.02174 -0.02291 0.03698 -0.01726 141 4XY -0.00508 -0.00621 0.01144 0.02443 0.03881 142 4XZ -0.00861 -0.02785 0.02348 -0.01310 -0.02662 143 4YZ 0.00246 0.00719 -0.00334 -0.00090 -0.03720 144 14 C 1S -0.01316 0.02007 0.01996 0.01084 0.00340 145 2S 0.23902 0.06974 -0.24407 -0.11527 0.12117 146 2PX 0.19221 -0.17257 -0.07078 -0.20662 -0.28364 147 2PY -0.11843 0.15915 0.24462 0.24235 0.38981 148 2PZ -0.28010 0.10656 0.12058 0.25421 0.39474 149 3S 0.24986 0.35713 0.86304 -1.23156 -2.10599 150 3PX -0.82758 0.35015 -0.25129 1.21926 1.46429 151 3PY 0.35119 -0.45404 -1.13140 -1.47657 -1.69964 152 3PZ 0.88352 -0.29332 -0.14984 -1.10272 -1.74510 153 4XX 0.04250 -0.00984 0.02505 -0.00915 -0.01223 154 4YY 0.00773 0.02408 -0.04725 -0.04586 -0.06365 155 4ZZ 0.00067 0.00419 -0.00076 -0.00600 0.01892 156 4XY 0.08644 0.01631 -0.01634 0.00748 -0.01549 157 4XZ -0.01452 -0.02895 -0.03348 0.01641 0.00146 158 4YZ -0.07456 0.01189 0.01085 -0.00489 0.01331 159 15 C 1S -0.01316 0.01984 -0.02019 -0.01084 -0.00340 160 2S 0.23898 0.07252 0.24330 0.11530 -0.12117 161 2PX 0.19221 -0.17179 0.07277 0.20659 0.28364 162 2PY 0.11838 -0.15638 0.24644 0.24233 0.38981 163 2PZ -0.28009 0.10522 -0.12184 -0.25420 -0.39473 164 3S 0.24996 0.34693 -0.86706 1.23160 2.10600 165 3PX -0.82762 0.35325 0.24715 -1.21922 -1.46430 166 3PY -0.35096 0.44129 -1.13656 -1.47652 -1.69964 167 3PZ 0.88349 -0.29182 0.15332 1.10271 1.74511 168 4XX 0.04250 -0.01012 -0.02493 0.00915 0.01223 169 4YY 0.00773 0.02461 0.04697 0.04586 0.06365 170 4ZZ 0.00067 0.00420 0.00071 0.00600 -0.01892 171 4XY -0.08644 -0.01650 -0.01616 0.00748 -0.01549 172 4XZ -0.01452 -0.02856 0.03381 -0.01641 -0.00146 173 4YZ 0.07456 -0.01176 0.01100 -0.00489 0.01331 174 16 C 1S 0.00737 -0.01348 -0.03241 0.01933 0.00179 175 2S 0.28724 0.25099 0.28228 -0.05996 0.10980 176 2PX 0.20203 -0.05868 -0.18577 -0.05174 0.15882 177 2PY -0.40269 0.01447 0.31061 -0.41258 -0.17730 178 2PZ -0.06503 -0.07654 0.32608 -0.07229 0.01860 179 3S -1.32928 -0.48652 -0.57335 -0.74951 -1.42875 180 3PX -0.75124 -0.28459 0.84464 -0.08224 -0.72169 181 3PY 1.35730 0.02865 -0.88722 1.77101 1.10989 182 3PZ 0.29359 -0.03015 -1.57468 0.11639 0.24100 183 4XX -0.00798 0.03895 0.04617 -0.02141 -0.02429 184 4YY 0.00252 -0.04805 -0.04470 0.03574 -0.00767 185 4ZZ 0.00328 0.02200 0.02266 -0.03698 0.01726 186 4XY 0.00508 0.00633 0.01137 0.02443 0.03881 187 4XZ -0.00860 -0.02813 -0.02316 0.01310 0.02662 188 4YZ -0.00246 -0.00723 -0.00326 -0.00091 -0.03720 189 17 H 1S 0.13875 -0.18621 0.20845 -0.22374 -0.01744 190 2S -0.67675 0.25287 -1.20564 1.12588 0.39619 191 18 H 1S -0.30477 0.06542 0.19026 0.13171 0.21484 192 2S 1.05887 -0.51117 -0.70671 -1.16100 -1.49483 193 19 H 1S -0.30474 0.06326 -0.19105 -0.13171 -0.21483 194 2S 1.05875 -0.50325 0.71267 1.16095 1.49483 195 20 H 1S 0.13877 -0.18862 -0.20627 0.22372 0.01742 196 2S -0.67690 0.26687 1.20257 -1.12587 -0.39618 197 21 C 1S 0.03352 0.00402 -0.00002 0.00000 0.00000 198 2S -0.16671 -0.11286 0.00064 -0.00001 0.00000 199 2PX 0.23527 -0.54529 0.00315 -0.00003 -0.00002 200 2PY 0.00003 -0.00215 -0.37467 0.00085 0.04963 201 2PZ 0.09294 -0.19251 0.00112 -0.00001 -0.00001 202 3S 0.99051 0.22096 -0.00123 0.00003 0.00001 203 3PX -0.04901 1.78031 -0.01023 0.00012 0.00005 204 3PY -0.00013 0.00881 1.54087 0.44264 0.04238 205 3PZ -0.77616 -0.06671 0.00031 -0.00002 0.00000 206 4XX 0.01255 -0.01084 0.00006 0.00000 0.00000 207 4YY 0.00659 0.02892 -0.00017 0.00000 0.00000 208 4ZZ 0.00950 -0.03112 0.00018 0.00000 0.00000 209 4XY 0.00000 0.00001 0.00283 0.01649 0.03344 210 4XZ -0.03269 0.06582 -0.00038 0.00000 0.00000 211 4YZ 0.00000 -0.00012 -0.02108 -0.05058 -0.03344 212 22 H 1S 0.17192 0.00387 -0.00001 0.00001 0.00000 213 2S -0.15028 1.20365 -0.00691 0.00008 0.00002 214 23 H 1S 0.09036 0.30012 -0.00171 0.00002 0.00000 215 2S 0.31546 -0.90778 0.00524 -0.00006 -0.00002 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 0.01572 0.00482 0.00322 -0.00191 -0.01420 2 2S -0.08426 -0.68855 0.11481 -0.09762 0.06280 3 2PX 0.31069 0.19765 0.08507 0.03120 -0.32121 4 2PY -0.34587 -0.21668 -0.14503 -0.04233 0.16499 5 2PZ -0.20672 -0.14759 0.03570 -0.02463 0.23026 6 3S -0.40682 1.77909 -0.74000 0.28080 0.19019 7 3PX -0.92942 -0.35365 -0.37815 0.01406 0.80564 8 3PY 1.56539 0.67707 0.58376 0.11423 -0.10340 9 3PZ 0.55185 0.16532 -0.19125 0.02615 -0.63921 10 4XX 0.03632 0.02121 0.03842 -0.01852 0.01438 11 4YY -0.06796 -0.06214 -0.02416 -0.01206 -0.00622 12 4ZZ 0.00417 -0.04044 -0.00157 0.00353 0.01061 13 4XY -0.01488 -0.04600 -0.00461 -0.01763 0.05753 14 4XZ -0.04920 -0.01254 -0.02322 0.00910 0.04308 15 4YZ 0.00629 0.04113 0.00838 -0.00378 -0.05773 16 2 H 1S 0.30464 0.25657 0.08826 0.11711 -0.28212 17 2S -1.28995 -1.05977 -0.27112 -0.13590 0.94694 18 3 C 1S -0.01572 0.00482 -0.00322 -0.00191 -0.01420 19 2S 0.08427 -0.68855 -0.11478 -0.09764 0.06282 20 2PX -0.31070 0.19766 -0.08513 0.03118 -0.32121 21 2PY -0.34586 0.21667 -0.14506 0.04229 -0.16497 22 2PZ 0.20672 -0.14758 -0.03567 -0.02464 0.23027 23 3S 0.40684 1.77909 0.73995 0.28095 0.19007 24 3PX 0.92947 -0.35370 0.37826 0.01413 0.80559 25 3PY 1.56536 -0.67703 0.58380 -0.11408 0.10338 26 3PZ -0.55186 0.16533 0.19117 0.02619 -0.63920 27 4XX -0.03633 0.02121 -0.03841 -0.01853 0.01438 28 4YY 0.06796 -0.06214 0.02416 -0.01206 -0.00622 29 4ZZ -0.00417 -0.04045 0.00157 0.00353 0.01061 30 4XY -0.01488 0.04600 -0.00462 0.01763 -0.05753 31 4XZ 0.04920 -0.01254 0.02323 0.00911 0.04308 32 4YZ 0.00629 -0.04113 0.00838 0.00378 0.05773 33 4 H 1S -0.30465 0.25657 -0.08832 0.11709 -0.28212 34 2S 1.28996 -1.05977 0.27127 -0.13583 0.94692 35 5 C 1S -0.00901 0.00086 -0.01011 -0.00308 0.01660 36 2S -0.14087 0.05065 -0.22376 -0.24961 0.26842 37 2PX 0.16489 -0.18019 0.09600 -0.04768 -0.13702 38 2PY 0.03042 0.00101 0.03359 0.04795 -0.09460 39 2PZ 0.04884 -0.04381 0.09789 0.12837 0.04153 40 3S 0.26905 -0.32067 0.46185 1.09573 -0.78736 41 3PX -0.45260 0.63705 -0.16766 0.47902 0.63515 42 3PY 0.20953 -0.15621 -0.19395 0.24147 -0.40103 43 3PZ 0.17641 -0.16728 -0.61055 -0.49738 -0.38759 44 4XX 0.00975 -0.02424 0.03074 0.01630 0.03416 45 4YY -0.06355 0.02281 -0.09414 0.00262 0.00995 46 4ZZ 0.00868 0.01370 0.00190 -0.03115 -0.00035 47 4XY 0.03178 0.01907 -0.00541 0.03255 0.01773 48 4XZ 0.00320 0.01043 0.00286 0.00801 -0.01396 49 4YZ -0.02396 0.00076 -0.02351 -0.01160 -0.00888 50 6 C 1S 0.02659 -0.01423 -0.00128 0.01629 -0.00814 51 2S -0.18267 0.24984 0.17700 0.18064 0.23931 52 2PX -0.15205 0.12680 -0.11026 -0.28451 0.07136 53 2PY 0.10767 -0.15273 -0.28703 0.03855 -0.15196 54 2PZ 0.33893 -0.18214 -0.48394 0.14462 -0.15205 55 3S -0.15379 -0.80489 -0.00487 -0.80044 -0.71764 56 3PX 0.60301 -0.25477 0.29845 0.77950 -0.01568 57 3PY -0.98363 0.43821 1.40014 0.18764 0.41161 58 3PZ -1.16110 0.35644 1.30426 -0.50776 0.23388 59 4XX -0.00399 0.00838 0.01208 -0.02136 0.00552 60 4YY -0.02817 0.01777 0.04892 0.01623 0.02086 61 4ZZ 0.00422 -0.00171 -0.01839 0.03142 0.00092 62 4XY -0.00331 0.02736 0.00685 -0.03019 -0.00514 63 4XZ -0.02229 0.02159 0.02412 -0.03703 -0.00827 64 4YZ 0.00576 -0.02824 -0.02427 0.01852 -0.06761 65 7 H 1S 0.19920 -0.21300 -0.25499 0.10561 -0.29948 66 2S -1.10976 0.70682 1.23281 -0.44697 0.59581 67 8 C 1S -0.02659 -0.01423 0.00128 0.01629 -0.00814 68 2S 0.18267 0.24984 -0.17700 0.18060 0.23933 69 2PX 0.15206 0.12680 0.11031 -0.28449 0.07135 70 2PY 0.10767 0.15273 -0.28700 -0.03861 0.15200 71 2PZ -0.33893 -0.18214 0.48388 0.14471 -0.15210 72 3S 0.15375 -0.80489 0.00497 -0.80047 -0.71762 73 3PX -0.60304 -0.25475 -0.29857 0.77945 -0.01560 74 3PY -0.98364 -0.43826 1.40014 -0.18735 -0.41192 75 3PZ 1.16110 0.35644 -1.30412 -0.50801 0.23395 76 4XX 0.00398 0.00837 -0.01207 -0.02136 0.00552 77 4YY 0.02817 0.01777 -0.04892 0.01622 0.02086 78 4ZZ -0.00421 -0.00171 0.01838 0.03142 0.00091 79 4XY -0.00331 -0.02736 0.00684 0.03019 0.00514 80 4XZ 0.02230 0.02160 -0.02412 -0.03704 -0.00827 81 4YZ 0.00575 0.02824 -0.02426 -0.01852 0.06761 82 9 H 1S -0.19920 -0.21300 0.25492 0.10567 -0.29951 83 2S 1.10977 0.70684 -1.23264 -0.44723 0.59594 84 10 C 1S 0.00901 0.00086 0.01012 -0.00308 0.01660 85 2S 0.14087 0.05065 0.22384 -0.24957 0.26838 86 2PX -0.16489 -0.18020 -0.09601 -0.04771 -0.13702 87 2PY 0.03043 -0.00101 0.03362 -0.04794 0.09459 88 2PZ -0.04883 -0.04381 -0.09792 0.12836 0.04154 89 3S -0.26904 -0.32065 -0.46216 1.09563 -0.78721 90 3PX 0.45264 0.63710 0.16762 0.47906 0.63526 91 3PY 0.20955 0.15621 -0.19385 -0.24154 0.40106 92 3PZ -0.17643 -0.16732 0.61063 -0.49727 -0.38772 93 4XX -0.00975 -0.02424 -0.03074 0.01629 0.03416 94 4YY 0.06355 0.02281 0.09414 0.00264 0.00994 95 4ZZ -0.00868 0.01370 -0.00189 -0.03115 -0.00035 96 4XY 0.03178 -0.01907 -0.00541 -0.03255 -0.01773 97 4XZ -0.00320 0.01043 -0.00286 0.00801 -0.01396 98 4YZ -0.02396 -0.00076 -0.02351 0.01160 0.00888 99 11 O 1S -0.00727 0.00363 -0.00362 -0.00287 0.00596 100 2S 0.12776 -0.06952 0.20494 -0.00893 0.04567 101 2PX -0.04515 0.00494 0.00914 0.02315 0.05766 102 2PY -0.08846 0.02708 -0.13091 0.04581 -0.01535 103 2PZ -0.02852 0.03300 0.04937 0.11190 0.13400 104 3S -0.05613 0.06361 -0.42595 -0.03681 -0.16989 105 3PX 0.10396 -0.06426 0.06436 -0.06603 -0.16506 106 3PY 0.23384 -0.07216 0.25097 -0.04455 -0.07623 107 3PZ 0.03836 -0.04666 0.04439 -0.04824 -0.10342 108 4XX 0.03620 -0.02695 0.06871 0.00439 0.00355 109 4YY 0.04879 -0.01914 0.07773 -0.03432 0.04328 110 4ZZ 0.03924 -0.01108 0.05650 0.00302 -0.00278 111 4XY 0.01492 -0.03108 -0.00758 -0.01843 -0.00378 112 4XZ 0.01111 -0.01109 0.02588 0.01687 -0.01719 113 4YZ -0.00425 0.01100 0.01200 0.00766 0.01170 114 12 O 1S 0.00727 0.00363 0.00362 -0.00287 0.00596 115 2S -0.12775 -0.06952 -0.20493 -0.00897 0.04570 116 2PX 0.04515 0.00495 -0.00914 0.02314 0.05766 117 2PY -0.08846 -0.02708 -0.13091 -0.04584 0.01536 118 2PZ 0.02853 0.03300 -0.04937 0.11189 0.13400 119 3S 0.05611 0.06360 0.42594 -0.03671 -0.16997 120 3PX -0.10397 -0.06427 -0.06436 -0.06604 -0.16507 121 3PY 0.23385 0.07217 0.25100 0.04460 0.07621 122 3PZ -0.03836 -0.04666 -0.04440 -0.04825 -0.10341 123 4XX -0.03620 -0.02695 -0.06871 0.00438 0.00356 124 4YY -0.04879 -0.01914 -0.07772 -0.03433 0.04329 125 4ZZ -0.03924 -0.01108 -0.05650 0.00301 -0.00277 126 4XY 0.01492 0.03108 -0.00758 0.01842 0.00379 127 4XZ -0.01111 -0.01109 -0.02588 0.01686 -0.01718 128 4YZ -0.00425 -0.01100 0.01200 -0.00765 -0.01170 129 13 C 1S -0.02269 0.00406 0.00091 0.01104 0.00508 130 2S 0.15979 -0.08802 0.01498 0.18126 -0.21811 131 2PX 0.07475 -0.14274 0.15211 0.09477 -0.01344 132 2PY -0.28686 0.07917 -0.13189 0.07539 0.31113 133 2PZ 0.04020 -0.02587 0.11028 0.03357 -0.11382 134 3S -0.54435 0.53596 0.31873 -0.30071 0.71717 135 3PX -0.43436 0.41743 0.09614 -0.06354 0.10023 136 3PY 1.01302 -0.12777 0.34954 -0.23773 -0.59861 137 3PZ 0.17801 -0.13554 -0.31190 -0.03229 -0.00009 138 4XX -0.00472 -0.01560 0.03286 -0.01627 -0.03219 139 4YY -0.03166 0.03452 -0.03887 0.00774 0.02522 140 4ZZ 0.03818 -0.01444 0.01574 0.04228 -0.02050 141 4XY -0.00800 -0.00184 -0.01167 0.03687 0.01796 142 4XZ 0.00989 -0.00449 -0.01106 -0.03285 -0.01619 143 4YZ 0.02180 0.00517 0.01036 0.03083 -0.01046 144 14 C 1S -0.00446 -0.00806 0.00697 0.01806 0.01127 145 2S -0.01525 0.18751 -0.32460 -0.07914 -0.00607 146 2PX 0.11891 0.11981 -0.20976 -0.21980 -0.13597 147 2PY 0.07256 -0.14419 -0.15553 0.20137 0.09132 148 2PZ -0.05211 -0.11304 0.03095 0.21785 0.04229 149 3S -0.20284 -0.85116 0.89130 0.51996 -0.00923 150 3PX -0.41885 -0.19202 1.02750 0.40913 0.24255 151 3PY -0.58929 0.48031 0.56974 -0.35086 0.01249 152 3PZ 0.33734 0.15910 -0.42892 -0.27616 -0.13825 153 4XX 0.00829 -0.00462 -0.02711 0.03208 0.00704 154 4YY -0.01155 0.00620 0.01293 0.01282 0.00271 155 4ZZ -0.00117 0.01634 -0.02761 -0.05484 -0.00530 156 4XY 0.01643 -0.00108 0.01169 -0.03461 -0.02925 157 4XZ 0.00842 0.00959 0.01662 -0.03622 -0.03833 158 4YZ -0.01159 0.00643 -0.01501 0.02655 0.04336 159 15 C 1S 0.00446 -0.00806 -0.00697 0.01806 0.01127 160 2S 0.01526 0.18750 0.32463 -0.07906 -0.00612 161 2PX -0.11891 0.11981 0.20980 -0.21975 -0.13600 162 2PY 0.07256 0.14419 -0.15549 -0.20141 -0.09129 163 2PZ 0.05210 -0.11304 -0.03099 0.21783 0.04230 164 3S 0.20283 -0.85115 -0.89144 0.51975 -0.00912 165 3PX 0.41884 -0.19201 -1.02757 0.40887 0.24273 166 3PY -0.58929 -0.48028 0.56963 0.35102 -0.01262 167 3PZ -0.33731 0.15909 0.42897 -0.27605 -0.13835 168 4XX -0.00828 -0.00462 0.02711 0.03209 0.00704 169 4YY 0.01155 0.00620 -0.01293 0.01281 0.00271 170 4ZZ 0.00117 0.01634 0.02762 -0.05483 -0.00531 171 4XY 0.01642 0.00108 0.01168 0.03461 0.02924 172 4XZ -0.00842 0.00959 -0.01661 -0.03623 -0.03833 173 4YZ -0.01158 -0.00643 -0.01501 -0.02655 -0.04336 174 16 C 1S 0.02269 0.00406 -0.00091 0.01104 0.00508 175 2S -0.15978 -0.08802 -0.01503 0.18126 -0.21811 176 2PX -0.07474 -0.14273 -0.15213 0.09475 -0.01343 177 2PY -0.28686 -0.07917 -0.13190 -0.07541 -0.31111 178 2PZ -0.04020 -0.02588 -0.11030 0.03355 -0.11380 179 3S 0.54432 0.53598 -0.31861 -0.30080 0.71728 180 3PX 0.43435 0.41741 -0.09610 -0.06357 0.10027 181 3PY 1.01302 0.12776 0.34958 0.23779 0.59855 182 3PZ -0.17801 -0.13551 0.31189 -0.03219 -0.00018 183 4XX 0.00472 -0.01560 -0.03286 -0.01627 -0.03218 184 4YY 0.03166 0.03452 0.03887 0.00775 0.02521 185 4ZZ -0.03818 -0.01444 -0.01575 0.04228 -0.02050 186 4XY -0.00800 0.00184 -0.01167 -0.03687 -0.01796 187 4XZ -0.00989 -0.00449 0.01107 -0.03285 -0.01619 188 4YZ 0.02180 -0.00517 0.01037 -0.03083 0.01046 189 17 H 1S -0.19466 0.16152 -0.13020 -0.03208 0.19703 190 2S 0.84414 -0.28569 0.44233 -0.03966 -0.68705 191 18 H 1S -0.03367 -0.04605 -0.03489 0.26738 0.17891 192 2S 0.16389 0.48487 -0.46013 -0.72544 -0.35997 193 19 H 1S 0.03367 -0.04605 0.03486 0.26739 0.17890 194 2S -0.16387 0.48485 0.46026 -0.72532 -0.36004 195 20 H 1S 0.19466 0.16152 0.13022 -0.03206 0.19701 196 2S -0.84414 -0.28570 -0.44239 -0.03974 -0.68698 197 21 C 1S 0.00000 -0.01090 0.00000 -0.01636 -0.01430 198 2S 0.00000 0.38403 -0.00005 0.53176 -0.00481 199 2PX 0.00001 -0.05300 -0.00005 0.43640 -0.10005 200 2PY -0.00376 0.00001 -0.03910 0.00000 0.00000 201 2PZ 0.00000 0.15853 -0.00004 0.34314 -0.06460 202 3S 0.00000 -0.52650 0.00013 -0.77054 0.47865 203 3PX -0.00002 -0.32739 0.00008 -0.64148 0.19030 204 3PY 0.38690 -0.00002 0.06095 -0.00001 0.00001 205 3PZ -0.00001 0.10765 0.00013 -1.09895 0.11958 206 4XX 0.00000 -0.03327 0.00000 0.01048 -0.05422 207 4YY 0.00000 0.03789 -0.00001 0.11118 0.02125 208 4ZZ 0.00000 0.05290 0.00001 -0.05300 0.02797 209 4XY -0.00315 0.00000 0.02639 0.00000 0.00000 210 4XZ 0.00000 -0.05165 0.00001 -0.08296 -0.00542 211 4YZ -0.02593 0.00000 0.00674 0.00000 0.00000 212 22 H 1S 0.00000 -0.24505 -0.00002 0.06595 -0.23934 213 2S -0.00001 -0.02332 0.00001 -0.07117 0.12744 214 23 H 1S 0.00000 -0.33998 0.00004 -0.46527 -0.09078 215 2S 0.00002 0.43766 -0.00017 1.54935 -0.18712 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 0.00205 -0.01850 0.00800 -0.00204 -0.00187 2 2S -0.08821 -0.28490 0.17506 0.44795 -0.14072 3 2PX -0.03281 -0.20577 -0.04103 -0.28211 -0.11451 4 2PY 0.01148 0.02751 0.02452 -0.31320 0.08854 5 2PZ -0.07669 0.17528 -0.01175 0.16995 0.01524 6 3S -0.28047 1.18360 -0.80933 -2.47795 -0.26478 7 3PX -0.07741 0.72703 -0.12130 2.07626 0.20416 8 3PY -0.33870 0.35964 -0.22158 4.09185 -0.44341 9 3PZ 0.58578 -0.58661 0.24019 -1.45834 -0.01381 10 4XX -0.02796 -0.01471 -0.01813 0.05934 -0.02409 11 4YY -0.00359 -0.03015 0.02633 -0.05449 -0.02449 12 4ZZ 0.00925 0.00772 0.01818 0.04504 0.03517 13 4XY -0.01511 0.05487 -0.01861 0.00102 -0.01385 14 4XZ 0.00430 0.05205 -0.00991 -0.04338 -0.00353 15 4YZ -0.00064 -0.04102 -0.00507 -0.00273 0.04466 16 2 H 1S 0.01118 -0.14067 -0.06947 0.05284 0.09205 17 2S -0.11042 0.48426 0.08816 0.38385 0.16509 18 3 C 1S -0.00204 -0.01850 0.00800 0.00204 -0.00187 19 2S 0.08828 -0.28488 0.17511 -0.44792 -0.14073 20 2PX 0.03285 -0.20577 -0.04105 0.28210 -0.11451 21 2PY 0.01148 -0.02750 -0.02449 -0.31322 -0.08852 22 2PZ 0.07667 0.17529 -0.01174 -0.16995 0.01524 23 3S 0.28025 1.18367 -0.80952 2.47780 -0.26480 24 3PX 0.07728 0.72705 -0.12114 -2.07616 0.20426 25 3PY -0.33863 -0.35977 0.22124 4.09197 0.44323 26 3PZ -0.58569 -0.58674 0.24005 1.45837 -0.01387 27 4XX 0.02797 -0.01471 -0.01812 -0.05935 -0.02409 28 4YY 0.00359 -0.03015 0.02633 0.05449 -0.02450 29 4ZZ -0.00925 0.00772 0.01818 -0.04503 0.03517 30 4XY -0.01510 -0.05487 0.01861 0.00102 0.01385 31 4XZ -0.00431 0.05205 -0.00992 0.04338 -0.00354 32 4YZ -0.00065 0.04102 0.00507 -0.00273 -0.04466 33 4 H 1S -0.01117 -0.14066 -0.06947 -0.05284 0.09205 34 2S 0.11036 0.48427 0.08819 -0.38382 0.16509 35 5 C 1S -0.00669 0.00520 0.00177 -0.01215 -0.02154 36 2S -0.25036 0.21189 0.10441 -0.30620 -0.53083 37 2PX -0.18319 -0.19210 0.22624 0.18530 -0.08962 38 2PY 0.13225 -0.00966 -0.09408 0.14377 -0.00002 39 2PZ -0.00771 0.17499 -0.01189 -0.27931 -0.01649 40 3S 1.44375 -0.91146 -0.25093 1.15710 1.34173 41 3PX 1.61701 1.02457 -0.96779 -2.81940 0.08831 42 3PY -0.38031 -0.04182 0.20665 -0.76373 -0.24632 43 3PZ -0.44697 -0.83077 0.26934 2.29572 -0.07227 44 4XX -0.02613 0.02151 0.02177 0.00464 -0.01128 45 4YY -0.02233 -0.02371 -0.02732 -0.06050 -0.06938 46 4ZZ 0.03251 0.01267 0.00289 0.01069 0.00942 47 4XY 0.00007 0.04765 -0.01203 -0.00955 0.01153 48 4XZ -0.02195 -0.01375 -0.01056 0.00378 0.01464 49 4YZ -0.00606 -0.02823 -0.00289 0.00730 -0.02336 50 6 C 1S 0.00066 0.00317 0.00078 -0.01655 -0.00270 51 2S -0.28587 0.04927 0.30447 0.08725 0.47821 52 2PX -0.02558 -0.18469 0.13148 0.12222 0.06107 53 2PY -0.24905 -0.01039 -0.15958 0.13779 -0.11295 54 2PZ 0.34303 0.12647 -0.38812 0.00462 -0.00993 55 3S 1.29431 -0.48738 -0.37121 0.99110 -1.03881 56 3PX 0.84842 0.54941 -0.47045 -1.54987 0.11744 57 3PY 2.17052 0.17720 0.06553 -1.59349 0.37559 58 3PZ -1.75537 -0.31057 0.73165 0.87381 0.06919 59 4XX -0.00633 0.00031 0.05030 0.01003 0.00761 60 4YY 0.02782 0.01405 0.01646 -0.00924 0.06191 61 4ZZ -0.04779 -0.01471 0.00179 0.01739 -0.02931 62 4XY -0.00384 0.00797 0.04732 0.01976 -0.01349 63 4XZ 0.04976 -0.02726 0.03989 -0.02837 -0.02413 64 4YZ -0.00907 0.01993 -0.06605 -0.00292 0.01102 65 7 H 1S -0.15720 -0.02275 -0.29554 0.08128 -0.08410 66 2S -0.49027 -0.22147 1.03818 0.17283 0.38305 67 8 C 1S -0.00067 0.00316 0.00078 0.01655 -0.00270 68 2S 0.28587 0.04932 0.30448 -0.08721 0.47817 69 2PX 0.02562 -0.18468 0.13149 -0.12221 0.06108 70 2PY -0.24904 0.01034 0.15955 0.13781 0.11294 71 2PZ -0.34305 0.12640 -0.38813 -0.00465 -0.00992 72 3S -1.29421 -0.48761 -0.37117 -0.99117 -1.03869 73 3PX -0.84851 0.54921 -0.47060 1.54982 0.11730 74 3PY 2.17057 -0.17673 -0.06530 -1.59356 -0.37550 75 3PZ 1.75542 -0.31020 0.73179 -0.87374 0.06920 76 4XX 0.00633 0.00031 0.05029 -0.01003 0.00761 77 4YY -0.02782 0.01405 0.01646 0.00924 0.06191 78 4ZZ 0.04779 -0.01470 0.00179 -0.01739 -0.02931 79 4XY -0.00384 -0.00797 -0.04733 0.01976 0.01349 80 4XZ -0.04976 -0.02727 0.03989 0.02838 -0.02413 81 4YZ -0.00906 -0.01993 0.06604 -0.00291 -0.01102 82 9 H 1S 0.15720 -0.02272 -0.29553 -0.08130 -0.08408 83 2S 0.49033 -0.22137 1.03821 -0.17275 0.38302 84 10 C 1S 0.00669 0.00520 0.00177 0.01215 -0.02154 85 2S 0.25032 0.21193 0.10438 0.30618 -0.53084 86 2PX 0.18322 -0.19205 0.22627 -0.18527 -0.08962 87 2PY 0.13224 0.00969 0.09406 0.14378 0.00003 88 2PZ 0.00768 0.17499 -0.01191 0.27931 -0.01650 89 3S -1.44363 -0.91175 -0.25089 -1.15702 1.34178 90 3PX -1.61718 1.02419 -0.96809 2.81925 0.08819 91 3PY -0.38024 0.04170 -0.20660 -0.76383 0.24634 92 3PZ 0.44713 -0.83065 0.26953 -2.29571 -0.07213 93 4XX 0.02613 0.02151 0.02177 -0.00463 -0.01128 94 4YY 0.02233 -0.02370 -0.02733 0.06050 -0.06938 95 4ZZ -0.03251 0.01267 0.00289 -0.01069 0.00943 96 4XY 0.00008 -0.04765 0.01203 -0.00955 -0.01152 97 4XZ 0.02196 -0.01375 -0.01056 -0.00378 0.01464 98 4YZ -0.00607 0.02823 0.00289 0.00730 0.02336 99 11 O 1S 0.00284 -0.00217 -0.00242 0.00777 0.00823 100 2S 0.10381 0.01138 0.07371 0.13797 0.07588 101 2PX -0.04886 -0.22870 0.02976 -0.09474 -0.20235 102 2PY -0.02054 -0.06239 -0.05696 -0.11963 -0.13278 103 2PZ -0.17723 0.02187 -0.12621 -0.02496 -0.18142 104 3S -0.52847 0.17576 0.03047 -0.82049 -0.53822 105 3PX -0.17428 0.13168 0.14645 0.42371 0.24059 106 3PY 0.01784 0.14882 0.08371 0.10988 0.13175 107 3PZ 0.21045 0.09343 0.09810 -0.27235 0.20920 108 4XX 0.02244 0.00255 0.01579 0.06041 0.03119 109 4YY 0.00930 0.03157 0.04880 0.02677 0.01750 110 4ZZ 0.06815 -0.00869 0.00115 0.07674 0.07707 111 4XY -0.01220 -0.02347 0.00634 0.00714 -0.02566 112 4XZ 0.01215 -0.01501 0.00688 0.02917 0.02555 113 4YZ -0.00375 0.02088 0.00699 -0.02806 -0.00422 114 12 O 1S -0.00284 -0.00217 -0.00242 -0.00777 0.00823 115 2S -0.10380 0.01136 0.07372 -0.13795 0.07589 116 2PX 0.04890 -0.22869 0.02974 0.09473 -0.20232 117 2PY -0.02055 0.06239 0.05698 -0.11962 0.13277 118 2PZ 0.17723 0.02190 -0.12621 0.02494 -0.18143 119 3S 0.52842 0.17588 0.03043 0.82046 -0.53827 120 3PX 0.17425 0.13173 0.14651 -0.42367 0.24056 121 3PY 0.01785 -0.14883 -0.08374 0.10988 -0.13173 122 3PZ -0.21047 0.09339 0.09808 0.27237 0.20919 123 4XX -0.02244 0.00255 0.01579 -0.06040 0.03119 124 4YY -0.00931 0.03157 0.04880 -0.02676 0.01750 125 4ZZ -0.06814 -0.00871 0.00115 -0.07674 0.07707 126 4XY -0.01220 0.02347 -0.00634 0.00714 0.02565 127 4XZ -0.01215 -0.01501 0.00689 -0.02917 0.02555 128 4YZ -0.00375 -0.02088 -0.00699 -0.02806 0.00422 129 13 C 1S -0.01238 0.00013 0.00270 0.00363 -0.00977 130 2S -0.36764 0.44034 0.25135 -0.02835 0.22976 131 2PX -0.15572 -0.05041 0.12737 -0.26404 -0.12975 132 2PY 0.18749 -0.23994 -0.31020 0.03637 0.10683 133 2PZ 0.10095 0.00420 0.09823 0.02992 -0.12984 134 3S 1.63389 -0.88517 -0.87395 0.44825 -0.04440 135 3PX 0.67298 0.05157 -0.45196 0.77768 -0.07155 136 3PY -0.63378 0.40738 0.54620 -0.21300 0.23170 137 3PZ -0.71437 0.09551 -0.14981 -0.41768 0.45130 138 4XX -0.02217 0.03429 0.01950 -0.00190 -0.03353 139 4YY -0.03248 -0.03976 -0.06014 0.02105 0.08996 140 4ZZ 0.01305 0.06002 0.07198 -0.01725 -0.03762 141 4XY 0.00643 -0.03676 0.02682 0.01198 0.01093 142 4XZ 0.01057 -0.02342 0.00606 -0.01951 -0.00592 143 4YZ -0.00407 0.01700 0.04024 -0.00653 -0.01536 144 14 C 1S 0.00090 0.00185 -0.00061 -0.00724 -0.00866 145 2S -0.42824 0.39798 0.01315 0.27418 -0.28323 146 2PX -0.13843 0.09868 -0.06083 -0.07297 -0.02017 147 2PY -0.24140 -0.12287 -0.00657 0.00805 0.13614 148 2PZ 0.19954 -0.16207 0.02870 0.09432 0.03840 149 3S 1.13138 -0.71854 0.33843 -0.87514 0.93988 150 3PX 1.08715 -0.25904 0.08402 0.25853 -0.01841 151 3PY 1.46261 0.23472 -0.19681 0.32637 -0.47932 152 3PZ -0.88817 0.35830 0.02426 -0.41788 -0.07107 153 4XX -0.03554 0.03437 -0.00467 -0.00590 -0.00374 154 4YY 0.02550 0.03237 -0.00041 0.00909 -0.01493 155 4ZZ -0.04135 -0.01505 -0.00022 0.01499 -0.02350 156 4XY -0.00394 0.04049 0.03801 -0.01125 -0.01189 157 4XZ 0.05200 0.02577 -0.00520 -0.00299 -0.00103 158 4YZ 0.00376 -0.05999 0.02307 0.01576 -0.01898 159 15 C 1S -0.00090 0.00185 -0.00061 0.00724 -0.00866 160 2S 0.42815 0.39807 0.01318 -0.27418 -0.28322 161 2PX 0.13841 0.09871 -0.06083 0.07297 -0.02018 162 2PY -0.24143 0.12281 0.00657 0.00805 -0.13614 163 2PZ -0.19951 -0.16210 0.02870 -0.09432 0.03842 164 3S -1.13120 -0.71880 0.33834 0.87516 0.93988 165 3PX -1.08709 -0.25927 0.08405 -0.25853 -0.01836 166 3PY 1.46269 -0.23439 0.19680 0.32638 0.47924 167 3PZ 0.88809 0.35847 0.02425 0.41789 -0.07114 168 4XX 0.03553 0.03438 -0.00467 0.00590 -0.00374 169 4YY -0.02551 0.03236 -0.00041 -0.00909 -0.01493 170 4ZZ 0.04135 -0.01504 -0.00022 -0.01499 -0.02350 171 4XY -0.00393 -0.04049 -0.03801 -0.01125 0.01189 172 4XZ -0.05200 0.02576 -0.00520 0.00299 -0.00103 173 4YZ 0.00375 0.05999 -0.02307 0.01576 0.01897 174 16 C 1S 0.01238 0.00013 0.00270 -0.00363 -0.00977 175 2S 0.36754 0.44041 0.25137 0.02839 0.22971 176 2PX 0.15573 -0.05039 0.12735 0.26405 -0.12976 177 2PY 0.18742 0.23998 0.31020 0.03640 -0.10684 178 2PZ -0.10096 0.00417 0.09824 -0.02992 -0.12984 179 3S -1.63368 -0.88546 -0.87397 -0.44835 -0.04418 180 3PX -0.67300 0.05144 -0.45190 -0.77772 -0.07150 181 3PY -0.63369 -0.40753 -0.54620 -0.21304 -0.23165 182 3PZ 0.71439 0.09569 -0.14986 0.41767 0.45129 183 4XX 0.02216 0.03430 0.01950 0.00190 -0.03353 184 4YY 0.03249 -0.03976 -0.06014 -0.02106 0.08996 185 4ZZ -0.01306 0.06002 0.07198 0.01725 -0.03762 186 4XY 0.00643 0.03677 -0.02682 0.01198 -0.01093 187 4XZ -0.01057 -0.02342 0.00606 0.01951 -0.00592 188 4YZ -0.00406 -0.01700 -0.04024 -0.00654 0.01535 189 17 H 1S 0.02980 -0.20145 -0.25814 0.03121 0.15554 190 2S -0.54780 0.66568 0.82538 -0.16428 -0.18248 191 18 H 1S -0.06342 -0.12207 0.02526 0.06588 -0.04865 192 2S -0.34100 0.70098 -0.16735 0.00412 -0.35310 193 19 H 1S 0.06344 -0.12205 0.02526 -0.06587 -0.04865 194 2S 0.34084 0.70104 -0.16734 -0.00413 -0.35312 195 20 H 1S -0.02974 -0.20146 -0.25812 -0.03124 0.15553 196 2S 0.54764 0.66580 0.82539 0.16436 -0.18254 197 21 C 1S 0.00000 0.00721 -0.00673 0.00000 0.03965 198 2S -0.00004 0.40286 0.01635 -0.00001 0.02266 199 2PX 0.00000 -0.08666 0.15986 0.00000 0.11778 200 2PY 0.07732 0.00001 -0.00001 0.01373 0.00001 201 2PZ -0.00001 0.09078 0.14460 0.00000 -0.24225 202 3S 0.00008 -0.98481 -0.29727 0.00001 -0.33880 203 3PX 0.00000 0.00162 0.24883 0.00003 -0.52221 204 3PY -0.47973 -0.00007 0.00004 -0.43745 -0.00002 205 3PZ 0.00002 -0.25518 -0.10933 0.00000 0.63767 206 4XX 0.00000 -0.00423 0.07520 0.00000 0.04689 207 4YY -0.00001 0.06971 0.03937 0.00000 -0.07300 208 4ZZ 0.00000 -0.00516 -0.11601 -0.00001 0.05378 209 4XY -0.05250 -0.00001 0.00000 -0.02296 0.00000 210 4XZ 0.00000 0.04261 -0.03205 0.00000 -0.07115 211 4YZ -0.00403 0.00000 0.00000 0.01128 0.00000 212 22 H 1S 0.00000 -0.06663 0.25489 0.00001 0.47198 213 2S -0.00002 0.35547 -0.13496 0.00000 -0.99463 214 23 H 1S 0.00001 0.06327 -0.37275 -0.00001 0.26986 215 2S -0.00004 0.26892 0.48079 0.00001 -0.23474 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 -0.00300 0.00996 -0.02252 0.01022 -0.01709 2 2S -0.14003 -0.13382 -0.54732 0.03821 -0.60382 3 2PX -0.02475 -0.11378 -0.00431 -0.02425 -0.07407 4 2PY -0.00921 0.22542 -0.16746 0.10063 0.04584 5 2PZ -0.07978 0.04928 -0.06034 0.01945 0.10995 6 3S -0.13966 -0.42688 1.83710 -0.80899 0.80120 7 3PX -0.13519 -0.00649 0.10387 -0.38333 0.24561 8 3PY -0.08685 -0.48053 0.96921 -0.54985 0.67660 9 3PZ 0.26502 -0.05436 0.11046 0.70132 -0.47556 10 4XX -0.03556 -0.00835 -0.08460 -0.03712 -0.03365 11 4YY -0.00450 0.00854 -0.04067 0.00694 -0.03351 12 4ZZ 0.01943 -0.02101 0.04765 0.02823 -0.04085 13 4XY -0.02858 -0.03328 0.03617 -0.00703 -0.00335 14 4XZ -0.00383 0.03531 0.01050 0.00258 0.08305 15 4YZ 0.02035 0.02626 -0.02078 0.01524 0.01312 16 2 H 1S 0.01860 0.02683 -0.15162 -0.04398 -0.15035 17 2S -0.17813 0.19997 -0.49251 -0.02690 -0.01782 18 3 C 1S -0.00299 -0.00996 -0.02252 -0.01023 0.01709 19 2S -0.14000 0.13380 -0.54734 -0.03840 0.60364 20 2PX -0.02475 0.11380 -0.00431 0.02424 0.07404 21 2PY 0.00920 0.22544 0.16741 0.10067 0.04587 22 2PZ -0.07978 -0.04929 -0.06034 -0.01947 -0.10997 23 3S -0.13983 0.42700 1.83691 0.80952 -0.80087 24 3PX -0.13528 0.00646 0.10364 0.38334 -0.24559 25 3PY 0.08695 -0.48063 -0.96891 -0.55013 0.67646 26 3PZ 0.26511 0.05438 0.11070 -0.70127 0.47557 27 4XX -0.03556 0.00834 -0.08461 0.03709 0.03366 28 4YY -0.00450 -0.00853 -0.04066 -0.00695 0.03350 29 4ZZ 0.01943 0.02101 0.04765 -0.02822 0.04084 30 4XY 0.02858 -0.03328 -0.03617 -0.00705 -0.00337 31 4XZ -0.00383 -0.03531 0.01051 -0.00257 -0.08303 32 4YZ -0.02036 0.02626 0.02078 0.01524 0.01309 33 4 H 1S 0.01859 -0.02685 -0.15164 0.04393 0.15030 34 2S -0.17813 -0.20001 -0.49252 0.02675 0.01773 35 5 C 1S -0.01843 0.00443 0.02443 -0.00404 -0.00374 36 2S -0.38428 0.36216 0.47264 -0.00619 0.08753 37 2PX 0.01169 0.00811 0.01415 -0.22417 0.02379 38 2PY -0.04840 0.26727 -0.01632 0.10678 0.10426 39 2PZ -0.04648 0.10642 0.10437 -0.10377 0.03737 40 3S 1.03673 -0.31398 -1.83387 -0.12259 -0.04107 41 3PX -0.07782 0.41815 0.30942 1.53455 -0.56537 42 3PY 0.33736 -0.64541 0.61893 -0.66439 -0.65165 43 3PZ 0.13408 -0.65555 -0.56898 -0.12267 0.12766 44 4XX 0.01401 0.06728 0.01811 0.00525 0.04497 45 4YY -0.03072 -0.02377 0.06954 -0.03164 -0.02270 46 4ZZ -0.03752 0.01528 -0.04023 0.01715 -0.01031 47 4XY 0.00937 0.01893 0.00546 0.01152 -0.09037 48 4XZ 0.01590 -0.08715 -0.01085 -0.01802 -0.02175 49 4YZ -0.02551 -0.02632 -0.00345 -0.02677 0.04483 50 6 C 1S -0.00799 -0.00602 -0.00220 -0.00237 -0.01137 51 2S -0.15282 0.38410 -0.20121 -0.01928 -0.02939 52 2PX -0.17563 -0.13007 -0.02323 -0.09036 -0.08222 53 2PY -0.05941 0.05049 0.15596 -0.01128 0.14578 54 2PZ -0.01066 0.09341 -0.01079 0.13019 -0.01408 55 3S -0.04204 -0.12705 0.49165 0.75667 0.64072 56 3PX 0.48760 0.87782 0.16690 0.39369 -0.39161 57 3PY 0.15396 0.72569 -0.51226 1.37464 -0.12007 58 3PZ -0.05526 -0.37991 -0.08949 -0.66141 0.56179 59 4XX -0.00233 0.05477 0.01088 -0.02882 -0.01992 60 4YY -0.02312 0.02972 0.00025 0.01714 -0.00430 61 4ZZ -0.00100 -0.03463 -0.03740 0.01787 0.01977 62 4XY -0.04422 0.04133 -0.00387 0.01194 0.00289 63 4XZ -0.02446 -0.03377 0.01207 -0.02428 -0.00568 64 4YZ -0.06578 -0.02305 -0.04739 0.01726 -0.01026 65 7 H 1S -0.10681 -0.16717 -0.12684 0.13757 0.12235 66 2S 0.00573 0.05930 -0.20217 -0.31793 0.12444 67 8 C 1S -0.00799 0.00602 -0.00220 0.00237 0.01137 68 2S -0.15281 -0.38414 -0.20119 0.01922 0.02942 69 2PX -0.17564 0.13006 -0.02328 0.09036 0.08230 70 2PY 0.05941 0.05047 -0.15596 -0.01133 0.14576 71 2PZ -0.01066 -0.09342 -0.01076 -0.13018 0.01411 72 3S -0.04199 0.12712 0.49184 -0.75652 -0.64058 73 3PX 0.48766 -0.87779 0.16713 -0.39361 0.39150 74 3PY -0.15419 0.72576 0.51179 1.37480 -0.11992 75 3PZ -0.05523 0.37990 -0.08965 0.66135 -0.56191 76 4XX -0.00233 -0.05476 0.01087 0.02882 0.01992 77 4YY -0.02312 -0.02973 0.00025 -0.01714 0.00431 78 4ZZ -0.00099 0.03463 -0.03740 -0.01788 -0.01977 79 4XY 0.04422 0.04133 0.00386 0.01194 0.00289 80 4XZ -0.02447 0.03377 0.01206 0.02428 0.00567 81 4YZ 0.06578 -0.02305 0.04739 0.01728 -0.01027 82 9 H 1S -0.10677 0.16717 -0.12680 -0.13762 -0.12237 83 2S 0.00574 -0.05933 -0.20224 0.31786 -0.12455 84 10 C 1S -0.01843 -0.00442 0.02443 0.00404 0.00374 85 2S -0.38429 -0.36210 0.47266 0.00627 -0.08751 86 2PX 0.01167 -0.00809 0.01409 0.22416 -0.02382 87 2PY 0.04839 0.26727 0.01628 0.10679 0.10428 88 2PZ -0.04648 -0.10641 0.10436 0.10378 -0.03743 89 3S 1.03669 0.31380 -1.83398 0.12213 0.04077 90 3PX -0.07764 -0.41816 0.30991 -1.53444 0.56547 91 3PY -0.33727 -0.64547 -0.61871 -0.66456 -0.65184 92 3PZ 0.13398 0.65551 -0.56917 0.12260 -0.12742 93 4XX 0.01401 -0.06727 0.01812 -0.00525 -0.04500 94 4YY -0.03073 0.02378 0.06953 0.03166 0.02271 95 4ZZ -0.03752 -0.01528 -0.04022 -0.01716 0.01032 96 4XY -0.00937 0.01894 -0.00546 0.01151 -0.09037 97 4XZ 0.01590 0.08714 -0.01086 0.01802 0.02175 98 4YZ 0.02551 -0.02632 0.00346 -0.02677 0.04484 99 11 O 1S -0.00229 -0.00020 -0.01670 0.00352 0.00564 100 2S -0.05949 -0.09700 -0.16176 -0.03426 -0.02567 101 2PX 0.04911 -0.23871 -0.10155 0.16490 0.39009 102 2PY -0.07036 -0.18732 0.22955 -0.18121 -0.21285 103 2PZ 0.06887 -0.07060 -0.17648 0.51867 -0.21959 104 3S 0.09656 -0.02220 1.00325 -0.17842 -0.29443 105 3PX -0.01667 0.27543 0.11944 -0.43463 -0.49633 106 3PY 0.11690 0.32628 -0.14376 0.27406 0.25700 107 3PZ -0.12428 0.15720 0.32679 -0.69992 0.30738 108 4XX -0.00109 -0.00230 -0.06504 0.00443 0.02767 109 4YY -0.02711 -0.04302 -0.03758 -0.01831 -0.01702 110 4ZZ -0.00693 -0.00227 -0.10883 0.02157 0.01041 111 4XY -0.01032 -0.02670 -0.00122 -0.00786 0.05159 112 4XZ 0.01024 -0.01208 -0.06496 0.00939 0.02228 113 4YZ 0.00796 0.01247 0.01159 0.02903 -0.03548 114 12 O 1S -0.00229 0.00020 -0.01670 -0.00352 -0.00565 115 2S -0.05949 0.09698 -0.16177 0.03420 0.02563 116 2PX 0.04910 0.23871 -0.10154 -0.16490 -0.39002 117 2PY 0.07038 -0.18735 -0.22949 -0.18125 -0.21283 118 2PZ 0.06892 0.07059 -0.17636 -0.51866 0.21980 119 3S 0.09653 0.02231 1.00320 0.17874 0.29466 120 3PX -0.01669 -0.27542 0.11935 0.43463 0.49624 121 3PY -0.11693 0.32631 0.14366 0.27406 0.25693 122 3PZ -0.12433 -0.15718 0.32665 0.69991 -0.30770 123 4XX -0.00108 0.00229 -0.06504 -0.00445 -0.02769 124 4YY -0.02711 0.04302 -0.03758 0.01830 0.01701 125 4ZZ -0.00692 0.00225 -0.10883 -0.02160 -0.01042 126 4XY 0.01033 -0.02670 0.00122 -0.00786 0.05159 127 4XZ 0.01024 0.01207 -0.06496 -0.00941 -0.02229 128 4YZ -0.00796 0.01246 -0.01160 0.02903 -0.03550 129 13 C 1S -0.00081 0.01691 0.00582 -0.00537 0.00336 130 2S -0.24648 0.51358 -0.13890 0.08892 -0.02204 131 2PX -0.18389 0.08200 0.17710 -0.08059 0.03966 132 2PY 0.04824 -0.02383 0.10373 -0.05617 0.00739 133 2PZ 0.05407 -0.05800 -0.07308 0.04944 0.06233 134 3S 1.11036 -2.22270 0.15754 0.34318 0.09269 135 3PX 1.01133 -0.76943 -0.40450 0.55024 0.05165 136 3PY -0.70322 -0.12372 -0.07360 0.35370 -0.22784 137 3PZ -0.59371 0.40839 0.53462 -0.47605 -0.16031 138 4XX 0.01637 -0.06143 -0.02803 0.02142 0.03136 139 4YY -0.06932 0.06961 -0.00361 0.00182 -0.02749 140 4ZZ 0.03358 0.04304 0.01866 -0.00835 -0.00024 141 4XY 0.01058 0.01132 0.00903 -0.01382 0.01054 142 4XZ -0.00180 -0.00049 0.01359 -0.01935 -0.00706 143 4YZ 0.00837 -0.03855 -0.03197 0.00957 0.01615 144 14 C 1S 0.02045 0.00592 -0.00504 0.00215 0.00272 145 2S 0.65598 -0.13868 -0.09244 0.02868 0.16261 146 2PX -0.12895 0.08141 -0.05274 0.01292 -0.04546 147 2PY -0.20495 0.08056 0.06680 -0.03233 0.00878 148 2PZ -0.05172 -0.13974 0.01364 0.06468 0.00673 149 3S -2.30229 0.78989 0.66027 -0.67589 -0.31572 150 3PX 0.26609 -0.85953 -0.08093 0.54169 0.15260 151 3PY 1.14025 -0.75196 -0.22374 0.06191 0.14131 152 3PZ 0.05980 1.03630 0.11700 -0.57935 -0.05090 153 4XX 0.04153 0.04965 0.04098 -0.00731 -0.00039 154 4YY 0.05223 -0.01394 -0.01030 0.00529 0.00518 155 4ZZ -0.00661 -0.03451 -0.04106 -0.00164 0.01400 156 4XY -0.04409 -0.01482 -0.00368 0.01203 0.00214 157 4XZ -0.03016 -0.02005 0.00245 0.02144 -0.01557 158 4YZ 0.04913 0.00606 -0.02986 -0.01008 -0.00105 159 15 C 1S 0.02045 -0.00592 -0.00504 -0.00215 -0.00273 160 2S 0.65601 0.13872 -0.09244 -0.02870 -0.16287 161 2PX -0.12895 -0.08142 -0.05273 -0.01294 0.04549 162 2PY 0.20496 0.08056 -0.06679 -0.03234 0.00875 163 2PZ -0.05170 0.13974 0.01364 -0.06468 -0.00673 164 3S -2.30242 -0.78996 0.66021 0.67600 0.31647 165 3PX 0.26617 0.85954 -0.08088 -0.54172 -0.15278 166 3PY -1.14028 -0.75200 0.22377 0.06190 0.14152 167 3PZ 0.05970 -1.03629 0.11696 0.57941 0.05099 168 4XX 0.04153 -0.04965 0.04098 0.00733 0.00038 169 4YY 0.05224 0.01394 -0.01030 -0.00530 -0.00521 170 4ZZ -0.00661 0.03451 -0.04106 0.00163 -0.01399 171 4XY 0.04409 -0.01482 0.00368 0.01203 0.00212 172 4XZ -0.03016 0.02005 0.00245 -0.02144 0.01558 173 4YZ -0.04913 0.00606 0.02986 -0.01008 -0.00105 174 16 C 1S -0.00081 -0.01690 0.00582 0.00537 -0.00336 175 2S -0.24645 -0.51362 -0.13883 -0.08894 0.02228 176 2PX -0.18390 -0.08198 0.17709 0.08062 -0.03965 177 2PY -0.04823 -0.02383 -0.10371 -0.05619 0.00747 178 2PZ 0.05408 0.05800 -0.07307 -0.04945 -0.06234 179 3S 1.11039 2.22274 0.15741 -0.34319 -0.09345 180 3PX 1.01141 0.76942 -0.40443 -0.55031 -0.05185 181 3PY 0.70323 -0.12368 0.07356 0.35378 -0.22807 182 3PZ -0.59378 -0.40842 0.53455 0.47614 0.16044 183 4XX 0.01638 0.06143 -0.02803 -0.02143 -0.03136 184 4YY -0.06932 -0.06961 -0.00360 -0.00183 0.02751 185 4ZZ 0.03358 -0.04303 0.01866 0.00836 0.00024 186 4XY -0.01058 0.01132 -0.00902 -0.01383 0.01052 187 4XZ -0.00181 0.00049 0.01359 0.01935 0.00706 188 4YZ -0.00837 -0.03855 0.03197 0.00957 0.01614 189 17 H 1S -0.26306 0.16842 0.07895 -0.03514 -0.15052 190 2S -0.18975 -0.01109 -0.28834 0.31935 0.02966 191 18 H 1S 0.27923 0.05808 0.00089 -0.11551 0.03387 192 2S 0.51148 0.13847 -0.09558 -0.13316 0.02452 193 19 H 1S 0.27922 -0.05807 0.00087 0.11553 -0.03390 194 2S 0.51147 -0.13845 -0.09560 0.13316 -0.02462 195 20 H 1S -0.26308 -0.16843 0.07895 0.03513 0.15048 196 2S -0.18973 0.01108 -0.28828 -0.31941 -0.02935 197 21 C 1S -0.01195 0.00000 0.02227 0.00000 0.00000 198 2S -0.58152 -0.00001 -0.15363 -0.00007 -0.00007 199 2PX 0.20215 0.00001 0.39671 0.00006 0.00002 200 2PY 0.00000 0.10298 -0.00001 0.02929 0.00708 201 2PZ -0.42054 0.00001 -0.12186 -0.00005 -0.00005 202 3S 2.60841 0.00002 -0.07230 0.00019 0.00021 203 3PX -0.69945 -0.00001 -0.91492 -0.00015 -0.00011 204 3PY 0.00003 -0.39472 0.00005 -0.29711 -0.12842 205 3PZ 0.49354 -0.00003 0.15685 0.00007 0.00013 206 4XX 0.02192 0.00000 0.08104 0.00001 0.00001 207 4YY -0.01671 0.00000 -0.04288 -0.00001 -0.00001 208 4ZZ -0.07108 0.00000 -0.03236 -0.00001 -0.00001 209 4XY 0.00000 -0.02120 0.00000 0.00096 0.00610 210 4XZ 0.01905 0.00000 0.00991 0.00000 -0.00002 211 4YZ 0.00000 -0.01558 0.00000 0.02235 -0.00300 212 22 H 1S 0.28397 0.00000 0.43371 0.00008 0.00008 213 2S -1.35074 0.00001 -1.14653 -0.00027 -0.00031 214 23 H 1S 0.13577 -0.00001 0.18093 0.00003 0.00004 215 2S -0.59572 0.00002 0.13243 -0.00003 -0.00006 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 0.01187 0.00117 -0.00938 0.00192 -0.01580 2 2S 0.31861 -0.18877 -0.28607 0.02519 -0.11300 3 2PX 0.05706 0.08523 -0.08039 -0.05239 0.13477 4 2PY 0.07355 0.09664 0.08458 0.01423 -0.09791 5 2PZ 0.03384 -0.04463 0.02546 0.05100 -0.11649 6 3S -0.53283 0.14921 1.41378 0.07606 2.18233 7 3PX 0.05439 -1.94710 0.45287 0.65440 0.06797 8 3PY -0.29594 -1.36211 0.26198 0.12735 1.23844 9 3PZ -0.05555 1.24253 -0.35339 -0.67991 -0.01242 10 4XX -0.01508 -0.00834 0.04078 0.03389 -0.00985 11 4YY 0.02353 0.01001 -0.05250 -0.00102 0.01551 12 4ZZ 0.02900 -0.03618 0.00501 -0.02635 -0.01907 13 4XY -0.03199 0.03629 0.02163 -0.01932 0.06827 14 4XZ -0.03681 0.03634 -0.02135 0.00150 0.01331 15 4YZ -0.04454 -0.01949 -0.02208 0.01892 -0.04138 16 2 H 1S 0.09722 -0.33568 0.04821 0.17936 -0.22396 17 2S 0.18796 -0.49652 -0.00389 0.28489 -0.40013 18 3 C 1S 0.01187 -0.00117 -0.00938 -0.00192 -0.01580 19 2S 0.31892 0.18875 -0.28607 -0.02521 -0.11301 20 2PX 0.05709 -0.08523 -0.08039 0.05241 0.13476 21 2PY -0.07352 0.09665 -0.08457 0.01424 0.09791 22 2PZ 0.03379 0.04463 0.02546 -0.05103 -0.11648 23 3S -0.53321 -0.14919 1.41380 -0.07570 2.18239 24 3PX 0.05436 1.94706 0.45289 -0.65437 0.06802 25 3PY 0.29618 -1.36218 -0.26201 0.12718 -1.23846 26 3PZ -0.05543 -1.24251 -0.35340 0.67990 -0.01249 27 4XX -0.01506 0.00834 0.04077 -0.03389 -0.00985 28 4YY 0.02354 -0.01001 -0.05250 0.00102 0.01551 29 4ZZ 0.02902 0.03618 0.00501 0.02635 -0.01907 30 4XY 0.03199 0.03629 -0.02163 -0.01932 -0.06827 31 4XZ -0.03685 -0.03634 -0.02135 -0.00150 0.01332 32 4YZ 0.04455 -0.01949 0.02208 0.01893 0.04138 33 4 H 1S 0.09731 0.33568 0.04821 -0.17939 -0.22394 34 2S 0.18800 0.49651 -0.00389 -0.28495 -0.40010 35 5 C 1S -0.00002 -0.01050 0.00035 0.00878 0.00189 36 2S -0.03593 -0.36376 0.02468 0.28792 0.03103 37 2PX 0.05356 -0.13064 -0.25312 0.08030 -0.16097 38 2PY 0.04652 -0.13048 0.00381 0.05971 0.00279 39 2PZ 0.12520 0.12646 0.12557 0.04735 0.20529 40 3S 0.63319 -0.16610 -0.35398 -0.74915 -0.14176 41 3PX -0.12283 1.52405 1.64440 -0.84493 1.96124 42 3PY -0.40263 -0.84733 -0.11511 0.16373 -0.12550 43 3PZ -0.56349 -1.68643 -0.99909 0.33690 -1.70979 44 4XX 0.04796 0.03498 -0.00665 0.05050 -0.01089 45 4YY -0.01084 -0.05596 -0.00008 0.01808 -0.01354 46 4ZZ -0.02316 -0.03947 0.00352 -0.04374 0.02080 47 4XY -0.01614 0.02979 -0.07823 0.00238 0.01170 48 4XZ 0.00803 0.08646 -0.00291 -0.02249 -0.03083 49 4YZ 0.02964 0.01465 0.05148 0.01070 0.05483 50 6 C 1S 0.00527 -0.00746 -0.00129 -0.00283 0.00291 51 2S -0.01210 0.03507 0.05160 0.12433 0.01439 52 2PX -0.14319 -0.11203 -0.06542 0.16245 0.12793 53 2PY -0.04807 -0.09648 0.05236 0.14398 -0.20188 54 2PZ -0.06328 -0.05490 0.04358 0.06158 -0.09635 55 3S -0.40245 0.85039 -0.92561 -0.18194 -1.85088 56 3PX 0.21234 0.55741 0.37935 -0.69577 0.20559 57 3PY 0.39260 2.54059 0.25494 -1.08141 1.37085 58 3PZ 0.22442 0.77030 -0.22421 0.20098 0.18525 59 4XX -0.00575 -0.08731 -0.02610 -0.03668 -0.07207 60 4YY -0.01367 0.03090 0.04041 -0.00292 -0.03853 61 4ZZ 0.01656 0.06152 -0.02434 0.04190 0.09948 62 4XY -0.00340 -0.03219 -0.03104 0.00935 0.06011 63 4XZ 0.01975 -0.04621 0.01141 -0.05102 -0.05217 64 4YZ -0.01736 0.02530 0.00924 0.00526 0.14348 65 7 H 1S 0.05165 0.38642 -0.05299 0.14204 0.23728 66 2S 0.21766 0.38476 -0.02377 -0.22617 0.24143 67 8 C 1S 0.00527 0.00746 -0.00129 0.00283 0.00291 68 2S -0.01207 -0.03509 0.05159 -0.12433 0.01443 69 2PX -0.14314 0.11201 -0.06543 -0.16243 0.12795 70 2PY 0.04814 -0.09649 -0.05236 0.14403 0.20184 71 2PZ -0.06328 0.05490 0.04358 -0.06161 -0.09633 72 3S -0.40283 -0.85030 -0.92563 0.18163 -1.85102 73 3PX 0.21248 -0.55733 0.37934 0.69577 0.20550 74 3PY -0.39254 2.54064 -0.25490 -1.08170 -1.37069 75 3PZ 0.22421 -0.77030 -0.22423 -0.20091 0.18523 76 4XX -0.00574 0.08731 -0.02609 0.03666 -0.07208 77 4YY -0.01367 -0.03091 0.04041 0.00291 -0.03853 78 4ZZ 0.01655 -0.06151 -0.02434 -0.04188 0.09949 79 4XY 0.00340 -0.03220 0.03104 0.00934 -0.06011 80 4XZ 0.01975 0.04621 0.01142 0.05101 -0.05218 81 4YZ 0.01736 0.02530 -0.00924 0.00524 -0.14348 82 9 H 1S 0.05157 -0.38643 -0.05300 -0.14199 0.23730 83 2S 0.21765 -0.38478 -0.02378 0.22624 0.24138 84 10 C 1S -0.00002 0.01050 0.00035 -0.00878 0.00189 85 2S -0.03595 0.36378 0.02468 -0.28790 0.03103 86 2PX 0.05357 0.13064 -0.25312 -0.08032 -0.16097 87 2PY -0.04647 -0.13048 -0.00381 0.05971 -0.00280 88 2PZ 0.12520 -0.12646 0.12556 -0.04732 0.20529 89 3S 0.63323 0.16603 -0.35397 0.74914 -0.14174 90 3PX -0.12273 -1.52412 1.64439 0.84523 1.96118 91 3PY 0.40227 -0.84732 0.11503 0.16380 0.12539 92 3PZ -0.56354 1.68646 -0.99906 -0.33718 -1.70976 93 4XX 0.04795 -0.03498 -0.00665 -0.05050 -0.01089 94 4YY -0.01082 0.05596 -0.00009 -0.01808 -0.01353 95 4ZZ -0.02316 0.03946 0.00352 0.04374 0.02080 96 4XY 0.01609 0.02979 0.07823 0.00238 -0.01170 97 4XZ 0.00804 -0.08646 -0.00291 0.02249 -0.03083 98 4YZ -0.02962 0.01465 -0.05148 0.01069 -0.05483 99 11 O 1S 0.00792 0.01491 -0.00180 -0.00681 -0.00031 100 2S 0.08031 0.06037 -0.05469 -0.07359 -0.03293 101 2PX -0.14458 -0.26490 0.48045 -0.05250 -0.06226 102 2PY 0.02269 -0.11825 -0.07643 0.02690 -0.01612 103 2PZ -0.44158 -0.07597 -0.23110 -0.01934 -0.09715 104 3S -0.51439 -0.62446 0.15241 0.37155 0.05104 105 3PX 0.18381 0.18748 -0.97652 0.19652 -0.21499 106 3PY -0.13235 0.03268 0.15679 0.03251 0.04207 107 3PZ 0.67883 0.32409 0.51537 0.00870 0.43250 108 4XX 0.03820 0.04185 0.00283 -0.01821 -0.00475 109 4YY 0.01724 0.03781 -0.01833 -0.01731 -0.00588 110 4ZZ 0.02724 0.04125 -0.02167 -0.04766 -0.00912 111 4XY 0.00077 -0.04503 0.07099 -0.00340 -0.00102 112 4XZ 0.02057 0.04139 -0.00391 -0.02639 -0.01418 113 4YZ -0.03663 -0.01526 -0.04187 0.00355 -0.02986 114 12 O 1S 0.00791 -0.01491 -0.00180 0.00681 -0.00031 115 2S 0.08033 -0.06037 -0.05469 0.07360 -0.03294 116 2PX -0.14480 0.26488 0.48047 0.05248 -0.06226 117 2PY -0.02281 -0.11827 0.07642 0.02691 0.01613 118 2PZ -0.44153 0.07597 -0.23109 0.01933 -0.09716 119 3S -0.51424 0.62449 0.15243 -0.37159 0.05109 120 3PX 0.18413 -0.18745 -0.97655 -0.19653 -0.21498 121 3PY 0.13250 0.03269 -0.15677 0.03251 -0.04208 122 3PZ 0.67876 -0.32410 0.51536 -0.00864 0.43252 123 4XX 0.03819 -0.04185 0.00283 0.01821 -0.00475 124 4YY 0.01724 -0.03781 -0.01832 0.01731 -0.00589 125 4ZZ 0.02723 -0.04125 -0.02167 0.04766 -0.00913 126 4XY -0.00074 -0.04503 -0.07099 -0.00340 0.00102 127 4XZ 0.02055 -0.04139 -0.00390 0.02639 -0.01418 128 4YZ 0.03662 -0.01526 0.04187 0.00355 0.02987 129 13 C 1S -0.00460 0.01313 0.00234 -0.00365 0.01784 130 2S -0.44547 0.16938 0.18740 0.18493 0.42706 131 2PX -0.03090 -0.13506 -0.01403 0.17815 -0.06633 132 2PY 0.16335 0.08589 -0.07051 0.23430 0.08465 133 2PZ 0.01046 0.02698 -0.00135 -0.16898 -0.05077 134 3S 1.47741 0.38345 -0.23872 0.98399 -1.98106 135 3PX 0.38148 0.80881 0.00816 -0.30606 0.06270 136 3PY -0.46477 -0.67754 0.38947 -0.65689 -1.45540 137 3PZ -0.20069 -0.43421 0.12050 0.54769 -0.44699 138 4XX -0.00895 0.03868 0.02800 0.03424 0.03753 139 4YY -0.02011 0.02966 0.00336 -0.01753 -0.00052 140 4ZZ -0.01745 -0.04172 0.00057 -0.00089 -0.02340 141 4XY -0.04226 -0.03055 0.00670 -0.06925 0.03700 142 4XZ -0.01759 -0.05823 0.00696 -0.10665 -0.03555 143 4YZ -0.03154 -0.00916 0.01857 0.01198 0.06734 144 14 C 1S 0.01831 0.01635 -0.00048 -0.00702 -0.00416 145 2S 0.45539 0.49625 -0.00689 -0.28477 -0.26515 146 2PX -0.05671 -0.04798 0.01404 -0.07108 -0.01969 147 2PY -0.04113 0.00117 0.01186 -0.01787 -0.05268 148 2PZ 0.00338 0.09597 -0.02639 0.16027 -0.00467 149 3S -1.32976 -1.66628 0.07150 1.16406 0.55313 150 3PX 0.31578 0.65202 -0.02823 1.27743 -0.41538 151 3PY 0.36910 0.11000 -0.09076 -0.17282 0.44382 152 3PZ -0.17132 -0.67728 0.05803 -1.55096 0.34018 153 4XX 0.02111 0.01909 0.00445 -0.00390 -0.06282 154 4YY 0.05641 0.01951 -0.00326 -0.00757 -0.03758 155 4ZZ -0.02012 0.02077 -0.00485 -0.03371 0.08008 156 4XY -0.02959 0.00361 -0.01479 0.08071 0.05385 157 4XZ -0.01629 -0.02171 0.01093 0.00984 -0.03999 158 4YZ 0.00089 -0.00780 -0.03662 -0.06888 0.07664 159 15 C 1S 0.01831 -0.01635 -0.00048 0.00702 -0.00416 160 2S 0.45531 -0.49623 -0.00690 0.28475 -0.26516 161 2PX -0.05669 0.04797 0.01404 0.07107 -0.01970 162 2PY 0.04112 0.00118 -0.01186 -0.01786 0.05268 163 2PZ 0.00337 -0.09597 -0.02640 -0.16027 -0.00464 164 3S -1.32947 1.66620 0.07151 -1.16406 0.55304 165 3PX 0.31561 -0.65202 -0.02827 -1.27745 -0.41506 166 3PY -0.36905 0.10994 0.09078 -0.17289 -0.44365 167 3PZ -0.17121 0.67730 0.05808 1.55098 0.33982 168 4XX 0.02111 -0.01908 0.00445 0.00389 -0.06282 169 4YY 0.05641 -0.01951 -0.00326 0.00757 -0.03758 170 4ZZ -0.02013 -0.02077 -0.00485 0.03373 0.08008 171 4XY 0.02959 0.00360 0.01479 0.08070 -0.05386 172 4XZ -0.01628 0.02171 0.01093 -0.00985 -0.03998 173 4YZ -0.00089 -0.00781 0.03662 -0.06889 -0.07663 174 16 C 1S -0.00460 -0.01312 0.00233 0.00365 0.01784 175 2S -0.44547 -0.16939 0.18740 -0.18490 0.42711 176 2PX -0.03091 0.13506 -0.01403 -0.17816 -0.06631 177 2PY -0.16336 0.08588 0.07053 0.23429 -0.08469 178 2PZ 0.01042 -0.02698 -0.00134 0.16897 -0.05081 179 3S 1.47732 -0.38350 -0.23877 -0.98419 -1.98083 180 3PX 0.38136 -0.80878 0.00816 0.30610 0.06272 181 3PY 0.46479 -0.67744 -0.38957 -0.65667 1.45538 182 3PZ -0.20053 0.43417 0.12049 -0.54778 -0.44692 183 4XX -0.00897 -0.03869 0.02800 -0.03423 0.03754 184 4YY -0.02009 -0.02966 0.00336 0.01752 -0.00051 185 4ZZ -0.01745 0.04173 0.00057 0.00088 -0.02341 186 4XY 0.04226 -0.03056 -0.00670 -0.06926 -0.03698 187 4XZ -0.01759 0.05823 0.00696 0.10665 -0.03557 188 4YZ 0.03155 -0.00916 -0.01857 0.01197 -0.06733 189 17 H 1S 0.09511 -0.10802 -0.07316 -0.23474 -0.10359 190 2S -0.65008 -0.30551 0.35481 -0.41758 -0.28118 191 18 H 1S 0.04847 -0.04737 -0.00421 -0.59090 0.18082 192 2S 0.16542 -0.04275 0.02365 -0.78238 0.08828 193 19 H 1S 0.04847 0.04739 -0.00420 0.59093 0.18070 194 2S 0.16543 0.04277 0.02366 0.78238 0.08812 195 20 H 1S 0.09518 0.10801 -0.07315 0.23472 -0.10361 196 2S -0.65019 0.30550 0.35488 0.41752 -0.28121 197 21 C 1S -0.00570 0.00000 0.01514 -0.00001 -0.05524 198 2S 0.28616 -0.00004 0.24846 -0.00009 -0.98340 199 2PX -0.07682 0.00001 -0.01345 0.00000 0.07350 200 2PY 0.00000 0.00751 0.00000 0.01800 -0.00001 201 2PZ 0.20430 -0.00001 -0.07803 -0.00001 -0.14073 202 3S -0.80450 0.00017 -0.70316 0.00038 4.47889 203 3PX 0.39824 0.00000 -0.20715 0.00004 0.27172 204 3PY -0.00005 -0.56217 0.00000 0.55094 -0.00003 205 3PZ -0.48605 -0.00001 0.28440 -0.00002 -0.47774 206 4XX -0.05909 0.00000 0.01785 -0.00001 -0.08474 207 4YY 0.04999 0.00000 -0.00168 0.00000 0.02879 208 4ZZ 0.03529 -0.00001 0.01921 0.00000 -0.04478 209 4XY 0.00000 0.02955 0.00000 0.08802 -0.00001 210 4XZ 0.07762 0.00000 -0.01581 0.00000 -0.05961 211 4YZ 0.00000 0.04807 0.00000 0.07102 -0.00001 212 22 H 1S -0.32531 0.00000 0.09597 -0.00001 -0.18900 213 2S 1.15557 -0.00004 -0.21393 -0.00004 -0.48530 214 23 H 1S -0.13185 0.00000 0.10735 -0.00003 -0.22995 215 2S 0.22604 -0.00002 0.00531 -0.00005 -0.40105 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 0.01895 0.01417 -0.01097 0.02988 -0.00150 2 2S 0.28161 0.28252 -0.08365 0.76910 -0.23782 3 2PX -0.09059 0.02856 0.03175 -0.01590 -0.08256 4 2PY 0.02273 -0.11021 -0.02839 -0.12477 0.18340 5 2PZ 0.08965 0.04248 -0.02552 0.01214 0.06829 6 3S -1.26398 -1.02269 1.21560 -3.64480 -0.57796 7 3PX 0.25463 -0.53061 0.14043 -0.52717 0.44602 8 3PY -1.76219 0.14740 0.62923 -0.93973 -1.09470 9 3PZ -0.28717 0.36574 -0.12204 0.53132 -0.31720 10 4XX 0.05266 0.08169 0.04677 0.01369 0.08492 11 4YY 0.01059 0.04224 -0.00901 0.00075 -0.03828 12 4ZZ -0.03513 -0.12858 -0.03419 0.04130 -0.05088 13 4XY -0.05766 0.12987 0.10565 -0.04003 -0.00743 14 4XZ -0.02503 0.03884 0.04880 -0.04088 -0.02892 15 4YZ 0.04539 0.16925 0.10257 0.04292 0.04141 16 2 H 1S 0.41948 -0.05984 -0.13072 0.24415 0.27717 17 2S 0.58809 -0.12089 -0.10438 0.34635 0.35810 18 3 C 1S -0.01895 0.01418 -0.01097 -0.02988 -0.00150 19 2S -0.28156 0.28254 -0.08354 -0.76914 -0.23773 20 2PX 0.09059 0.02854 0.03173 0.01590 -0.08256 21 2PY 0.02275 0.11019 0.02839 -0.12478 -0.18339 22 2PZ -0.08963 0.04251 -0.02550 -0.01214 0.06829 23 3S 1.26384 -1.02283 1.21508 3.64499 -0.57838 24 3PX -0.25475 -0.53053 0.14046 0.52720 0.44591 25 3PY -1.76223 -0.14689 -0.62871 -0.93977 1.09490 26 3PZ 0.28722 0.36563 -0.12209 -0.53136 -0.31707 27 4XX -0.05262 0.08170 0.04678 -0.01369 0.08492 28 4YY -0.01058 0.04225 -0.00900 -0.00075 -0.03828 29 4ZZ 0.03509 -0.12860 -0.03420 -0.04129 -0.05088 30 4XY -0.05772 -0.12986 -0.10563 -0.04003 0.00743 31 4XZ 0.02506 0.03884 0.04879 0.04087 -0.02893 32 4YZ 0.04531 -0.16926 -0.10259 0.04292 -0.04141 33 4 H 1S -0.41950 -0.05973 -0.13059 -0.24415 0.27719 34 2S -0.58809 -0.12074 -0.10420 -0.34635 0.35812 35 5 C 1S 0.00918 -0.01385 -0.00477 -0.00148 0.01503 36 2S 0.33012 -0.46480 -0.05186 -0.10120 0.42546 37 2PX -0.15415 0.03265 -0.13460 -0.38692 0.11639 38 2PY 0.11929 -0.10241 -0.01760 0.03042 0.12915 39 2PZ 0.20320 0.02533 0.04203 0.20698 -0.05638 40 3S 0.30934 1.92190 0.42043 -0.21149 -1.94337 41 3PX 2.13629 -0.18737 1.38877 3.02240 -1.36627 42 3PY -0.21401 1.29096 -0.20102 -0.12007 -0.89087 43 3PZ -1.75692 0.09796 -0.92265 -2.14263 0.92816 44 4XX 0.06020 -0.23363 -0.14662 0.01602 -0.04570 45 4YY 0.01577 -0.00359 0.01970 -0.03729 -0.02680 46 4ZZ -0.04570 0.19575 0.13962 0.00599 0.09667 47 4XY 0.00211 0.02790 -0.00958 -0.00934 0.01195 48 4XZ -0.03411 -0.07475 -0.00905 0.02710 -0.10777 49 4YZ -0.02358 0.00511 -0.03033 0.09414 -0.01195 50 6 C 1S 0.00259 0.00905 0.02267 -0.00155 -0.02205 51 2S -0.12616 0.34235 0.03999 0.00076 -0.23587 52 2PX -0.05403 -0.00249 -0.06720 -0.08281 -0.08476 53 2PY -0.13636 0.16022 -0.10883 0.06635 -0.01791 54 2PZ 0.03115 0.06066 -0.14973 -0.09443 0.11737 55 3S 0.90240 -0.69432 -1.67496 -0.98770 2.19793 56 3PX 1.05957 0.56679 0.21268 1.10325 -0.47038 57 3PY 3.02007 -0.48387 1.04255 1.60196 -0.70881 58 3PZ -0.50246 -0.42734 0.10210 0.02776 0.10122 59 4XX -0.01936 0.11316 0.10758 -0.07260 0.01461 60 4YY 0.01022 0.06700 -0.05492 0.00733 0.00567 61 4ZZ 0.00272 -0.17261 -0.00807 0.04657 -0.04603 62 4XY -0.01074 0.04641 0.00563 -0.01907 0.15329 63 4XZ -0.01140 0.05055 0.05262 0.00593 0.02041 64 4YZ -0.03871 0.09364 0.14687 0.03909 0.08352 65 7 H 1S 0.02671 -0.18647 0.20187 0.13586 -0.07964 66 2S 0.22514 -0.09026 0.29157 0.09336 -0.30899 67 8 C 1S -0.00258 0.00905 0.02267 0.00155 -0.02205 68 2S 0.12627 0.34228 0.03995 -0.00080 -0.23585 69 2PX 0.05399 -0.00251 -0.06721 0.08281 -0.08477 70 2PY -0.13639 -0.16017 0.10886 0.06637 0.01792 71 2PZ -0.03115 0.06068 -0.14973 0.09441 0.11737 72 3S -0.90280 -0.69380 -1.67474 0.98773 2.19781 73 3PX -1.05930 0.56704 0.21296 -1.10326 -0.47011 74 3PY 3.02008 0.48292 -1.04344 1.60190 0.70846 75 3PZ 0.50233 -0.42746 0.10196 -0.02771 0.10113 76 4XX 0.01943 0.11316 0.10757 0.07259 0.01460 77 4YY -0.01022 0.06701 -0.05492 -0.00734 0.00568 78 4ZZ -0.00278 -0.17262 -0.00807 -0.04655 -0.04602 79 4XY -0.01077 -0.04641 -0.00563 -0.01908 -0.15329 80 4XZ 0.01142 0.05054 0.05262 -0.00593 0.02041 81 4YZ -0.03877 -0.09363 -0.14686 0.03909 -0.08352 82 9 H 1S -0.02673 -0.18647 0.20189 -0.13584 -0.07965 83 2S -0.22515 -0.09017 0.29162 -0.09334 -0.30897 84 10 C 1S -0.00918 -0.01385 -0.00477 0.00149 0.01503 85 2S -0.33025 -0.46468 -0.05179 0.10125 0.42544 86 2PX 0.15414 0.03263 -0.13467 0.38690 0.11634 87 2PY 0.11931 0.10238 0.01756 0.03040 -0.12915 88 2PZ -0.20319 0.02538 0.04209 -0.20698 -0.05635 89 3S -0.30873 1.92195 0.42049 0.21122 -1.94332 90 3PX -2.13617 -0.18695 1.38951 -3.02231 -1.36577 91 3PY -0.21418 -1.29083 0.20105 -0.11987 0.89093 92 3PZ 1.75685 0.09755 -0.92322 2.14259 0.92783 93 4XX -0.06031 -0.23361 -0.14660 -0.01601 -0.04570 94 4YY -0.01577 -0.00358 0.01970 0.03729 -0.02681 95 4ZZ 0.04580 0.19573 0.13961 -0.00600 0.09667 96 4XY 0.00210 -0.02789 0.00959 -0.00933 -0.01195 97 4XZ 0.03407 -0.07476 -0.00905 -0.02709 -0.10776 98 4YZ -0.02357 -0.00510 0.03033 0.09414 0.01194 99 11 O 1S -0.00097 -0.00472 0.00749 -0.00444 -0.00780 100 2S 0.05431 0.15091 0.05928 -0.07750 -0.28651 101 2PX -0.02721 0.02529 0.01272 0.14178 0.00326 102 2PY 0.04715 0.18952 -0.03184 0.01855 -0.14507 103 2PZ 0.01476 -0.05477 0.04391 -0.14672 -0.04089 104 3S -0.14705 0.03065 -0.31567 0.22452 0.48512 105 3PX -0.22786 0.01740 -0.25401 -0.70348 0.20724 106 3PY -0.07925 -0.28305 -0.04831 0.08958 0.36900 107 3PZ 0.20321 0.08968 0.06041 0.61961 -0.09821 108 4XX 0.01108 -0.03484 -0.01448 0.00904 -0.07527 109 4YY 0.01764 0.03556 0.01744 -0.02557 -0.09258 110 4ZZ -0.01199 0.07319 0.06143 -0.03758 -0.03445 111 4XY -0.00880 0.00405 0.02347 0.04242 -0.00652 112 4XZ 0.00270 -0.02255 0.02378 -0.01596 -0.03625 113 4YZ 0.02051 -0.01935 0.00314 -0.08831 0.01786 114 12 O 1S 0.00097 -0.00472 0.00749 0.00443 -0.00780 115 2S -0.05424 0.15094 0.05929 0.07747 -0.28651 116 2PX 0.02721 0.02527 0.01272 -0.14178 0.00327 117 2PY 0.04710 -0.18953 0.03183 0.01858 0.14507 118 2PZ -0.01477 -0.05475 0.04391 0.14673 -0.04091 119 3S 0.14693 0.03057 -0.31569 -0.22446 0.48511 120 3PX 0.22783 0.01739 -0.25411 0.70346 0.20714 121 3PY -0.07916 0.28308 0.04833 0.08951 -0.36901 122 3PZ -0.20318 0.08969 0.06050 -0.61961 -0.09814 123 4XX -0.01109 -0.03483 -0.01448 -0.00904 -0.07527 124 4YY -0.01762 0.03556 0.01744 0.02556 -0.09258 125 4ZZ 0.01203 0.07319 0.06143 0.03757 -0.03445 126 4XY -0.00880 -0.00404 -0.02347 0.04241 0.00652 127 4XZ -0.00271 -0.02255 0.02378 0.01596 -0.03625 128 4YZ 0.02051 0.01934 -0.00314 -0.08831 -0.01785 129 13 C 1S -0.00476 -0.00004 -0.01596 0.01535 0.01460 130 2S -0.26398 0.10891 -0.50734 0.30678 0.08824 131 2PX -0.01078 -0.02024 0.07155 -0.04425 0.09093 132 2PY 0.13616 0.04639 -0.00352 -0.13304 0.05465 133 2PZ 0.08014 -0.01620 0.03502 -0.02477 -0.03005 134 3S 0.85842 -0.35640 1.91341 -0.56021 -1.00242 135 3PX -0.06220 0.27807 -0.25029 0.62378 -0.09935 136 3PY -1.43539 -0.42838 0.97525 1.09095 -0.52442 137 3PZ -0.10925 0.02350 -0.23661 -0.31567 0.05212 138 4XX 0.05421 0.01145 -0.04967 0.00985 -0.13696 139 4YY -0.08008 -0.03294 -0.04012 0.08112 -0.06682 140 4ZZ 0.00201 0.01905 0.05315 -0.04471 0.19078 141 4XY 0.00329 -0.00553 0.02669 -0.01240 -0.02114 142 4XZ -0.02616 -0.02749 0.00152 0.00495 -0.05921 143 4YZ 0.02755 0.01474 -0.03186 -0.04358 -0.04202 144 14 C 1S 0.02337 -0.00100 0.02409 0.00925 -0.00485 145 2S 0.61338 -0.02124 0.48737 0.03204 -0.14306 146 2PX -0.06109 0.01334 -0.06995 0.05202 -0.00782 147 2PY 0.04263 -0.07987 0.16473 -0.02058 0.00369 148 2PZ -0.01558 -0.10571 0.10084 0.00760 -0.00598 149 3S -1.05816 -0.27788 -0.73699 -1.37618 0.50133 150 3PX -0.14691 -0.22699 0.85295 0.43090 -0.23896 151 3PY 0.67385 0.48797 -0.75527 -0.88112 0.04974 152 3PZ 0.46925 0.30873 -0.65008 -0.51419 0.15878 153 4XX 0.02819 0.01874 0.05105 0.00159 0.10726 154 4YY 0.02714 -0.03845 0.11757 -0.00785 -0.03390 155 4ZZ 0.02451 0.00342 -0.13069 0.00197 -0.08788 156 4XY -0.02190 0.00381 0.01405 -0.00177 0.15083 157 4XZ -0.06457 -0.00556 -0.01143 0.02583 0.03745 158 4YZ 0.01014 0.01982 -0.02240 -0.00962 0.14803 159 15 C 1S -0.02336 -0.00100 0.02409 -0.00924 -0.00485 160 2S -0.61326 -0.02108 0.48749 -0.03201 -0.14300 161 2PX 0.06107 0.01331 -0.06996 -0.05202 -0.00783 162 2PY 0.04262 0.07986 -0.16474 -0.02059 -0.00369 163 2PZ 0.01557 -0.10572 0.10084 -0.00758 -0.00598 164 3S 1.05782 -0.27794 -0.73725 1.37619 0.50117 165 3PX 0.14706 -0.22716 0.85295 -0.43086 -0.23891 166 3PY 0.67385 -0.48835 0.75516 -0.88106 -0.04974 167 3PZ -0.46933 0.30902 -0.65002 0.51416 0.15876 168 4XX -0.02817 0.01874 0.05105 -0.00157 0.10728 169 4YY -0.02712 -0.03844 0.11757 0.00786 -0.03390 170 4ZZ -0.02454 0.00343 -0.13069 -0.00199 -0.08788 171 4XY -0.02191 -0.00380 -0.01405 -0.00179 -0.15083 172 4XZ 0.06456 -0.00558 -0.01144 -0.02583 0.03745 173 4YZ 0.01013 -0.01982 0.02240 -0.00964 -0.14803 174 16 C 1S 0.00476 -0.00004 -0.01596 -0.01535 0.01460 175 2S 0.26385 0.10880 -0.50738 -0.30679 0.08829 176 2PX 0.01079 -0.02024 0.07155 0.04426 0.09092 177 2PY 0.13613 -0.04644 0.00350 -0.13304 -0.05466 178 2PZ -0.08013 -0.01616 0.03504 0.02477 -0.03005 179 3S -0.85795 -0.35622 1.91357 0.56020 -1.00246 180 3PX 0.06227 0.27799 -0.25027 -0.62384 -0.09929 181 3PY -1.43548 0.42895 -0.97499 1.09097 0.52452 182 3PZ 0.10921 0.02345 -0.23665 0.31562 0.05211 183 4XX -0.05423 0.01146 -0.04966 -0.00987 -0.13696 184 4YY 0.08006 -0.03297 -0.04014 -0.08113 -0.06681 185 4ZZ -0.00199 0.01905 0.05315 0.04474 0.19079 186 4XY 0.00329 0.00553 -0.02669 -0.01240 0.02114 187 4XZ 0.02615 -0.02749 0.00151 -0.00496 -0.05922 188 4YZ 0.02755 -0.01475 0.03185 -0.04358 0.04202 189 17 H 1S -0.44278 -0.05908 0.14106 0.31327 0.11989 190 2S -0.64164 -0.05179 0.01952 0.53961 -0.19377 191 18 H 1S 0.32399 0.15522 -0.24847 -0.16877 0.04834 192 2S 0.44299 0.29225 -0.43189 -0.25731 0.03360 193 19 H 1S -0.32400 0.15537 -0.24841 0.16875 0.04834 194 2S -0.44299 0.29245 -0.43182 0.25727 0.03360 195 20 H 1S 0.44280 -0.05923 0.14098 -0.31325 0.11987 196 2S 0.64159 -0.05203 0.01941 -0.53963 -0.19380 197 21 C 1S 0.00000 0.00208 0.00228 0.00000 -0.02966 198 2S 0.00001 0.08894 -0.02147 -0.00004 -0.58588 199 2PX -0.00001 0.12382 -0.29791 -0.00002 0.08983 200 2PY -0.13644 0.00003 0.00001 0.11018 0.00000 201 2PZ 0.00000 0.05132 -0.05006 -0.00001 -0.00007 202 3S -0.00013 0.24432 -1.29470 0.00010 1.94361 203 3PX 0.00001 -0.72621 1.35713 0.00011 -0.12916 204 3PY 0.17273 -0.00002 0.00000 -0.58503 0.00002 205 3PZ 0.00001 -0.61194 0.91269 0.00003 -0.49871 206 4XX 0.00001 -0.02681 0.10626 0.00000 -0.03907 207 4YY 0.00001 0.06035 -0.01924 0.00001 0.12613 208 4ZZ -0.00002 -0.02007 -0.12523 -0.00001 -0.15250 209 4XY 0.02771 0.00000 0.00000 0.00205 0.00000 210 4XZ 0.00001 0.06372 -0.03212 0.00000 0.09187 211 4YZ 0.01307 0.00000 0.00000 -0.00470 0.00000 212 22 H 1S 0.00001 -0.22946 0.40846 0.00002 -0.07548 213 2S 0.00003 0.03368 0.34241 0.00000 -0.32582 214 23 H 1S 0.00001 0.22321 -0.24187 -0.00002 -0.01781 215 2S 0.00000 0.32029 -0.50038 -0.00004 -0.05458 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 0.01039 0.01314 -0.00073 0.00801 -0.00058 2 2S 0.34825 0.26845 -0.04972 0.06490 -0.10212 3 2PX 0.12584 0.08815 -0.00879 -0.02426 -0.08125 4 2PY -0.03346 -0.09566 0.09117 0.01372 0.06831 5 2PZ -0.09267 -0.06934 0.00209 0.01482 0.02164 6 3S -0.93108 -0.35978 -0.30585 -0.85791 -0.46873 7 3PX -0.94431 -0.66819 0.08022 -0.45965 0.29206 8 3PY -0.26094 0.50838 -0.40282 -0.12994 -0.56654 9 3PZ 0.86483 0.43596 -0.01983 0.22571 -0.05460 10 4XX 0.00515 0.12311 0.01165 0.04993 0.16515 11 4YY 0.01242 0.08718 0.02338 -0.00122 -0.03702 12 4ZZ 0.01746 -0.21207 -0.03538 -0.05142 -0.11162 13 4XY 0.01599 -0.02218 -0.00215 0.01433 0.05304 14 4XZ -0.03985 -0.05562 -0.04875 0.01883 0.09285 15 4YZ -0.03267 -0.07066 0.04322 0.02076 0.12740 16 2 H 1S -0.16035 -0.16518 0.06201 -0.00115 0.12096 17 2S -0.28959 -0.40509 0.08194 -0.03262 0.25504 18 3 C 1S -0.01039 0.01315 -0.00073 -0.00801 -0.00058 19 2S -0.34815 0.26864 -0.04974 -0.06493 -0.10215 20 2PX -0.12580 0.08822 -0.00880 0.02423 -0.08127 21 2PY -0.03343 0.09568 -0.09117 0.01369 -0.06832 22 2PZ 0.09264 -0.06938 0.00210 -0.01482 0.02165 23 3S 0.93096 -0.36047 -0.30579 0.85768 -0.46874 24 3PX 0.94406 -0.66872 0.08023 0.45973 0.29205 25 3PY -0.26113 -0.50833 0.40288 -0.12972 0.56662 26 3PZ -0.86467 0.43641 -0.01986 -0.22571 -0.05464 27 4XX -0.00510 0.12311 0.01167 -0.04985 0.16517 28 4YY -0.01239 0.08719 0.02338 0.00122 -0.03701 29 4ZZ -0.01755 -0.21206 -0.03540 0.05135 -0.11165 30 4XY 0.01600 0.02217 0.00215 0.01432 -0.05305 31 4XZ 0.03982 -0.05563 -0.04874 -0.01880 0.09285 32 4YZ -0.03264 0.07067 -0.04322 0.02072 -0.12741 33 4 H 1S 0.16029 -0.16526 0.06202 0.00119 0.12098 34 2S 0.28943 -0.40524 0.08195 0.03270 0.25507 35 5 C 1S -0.01107 -0.01394 0.00416 0.01143 0.00660 36 2S -0.30707 -0.33930 0.19810 0.21385 0.10827 37 2PX -0.06870 -0.02008 0.08084 -0.01477 0.09010 38 2PY -0.09798 -0.09114 0.01163 -0.01915 0.00694 39 2PZ -0.01156 -0.02703 -0.01594 0.07035 0.05365 40 3S 1.62496 -0.21210 -1.15598 -1.02251 -0.08315 41 3PX 1.63470 -0.13386 -0.75277 0.19997 -0.82343 42 3PY 0.66040 1.33805 -0.12737 -0.78801 -0.45838 43 3PZ -0.82971 0.13995 0.38356 -0.36288 0.19280 44 4XX -0.07035 0.01693 -0.08885 0.10770 -0.00340 45 4YY 0.04528 -0.03931 0.01157 0.01048 -0.05516 46 4ZZ 0.02912 -0.00729 0.05855 -0.13272 0.06774 47 4XY -0.00543 0.02387 -0.01148 0.04350 0.22346 48 4XZ 0.00490 -0.02607 -0.12487 0.04646 0.05123 49 4YZ -0.07288 0.13819 -0.10230 0.05350 0.25307 50 6 C 1S 0.02462 -0.04031 -0.02146 0.00647 -0.00406 51 2S 0.94921 -0.63195 -0.43321 0.26721 -0.09740 52 2PX 0.02203 0.06135 -0.09456 0.17000 -0.14375 53 2PY -0.00049 -0.01388 -0.03527 -0.03507 0.07197 54 2PZ 0.16216 -0.17212 -0.03303 0.01383 0.06211 55 3S -4.16581 0.96608 1.41286 -0.06072 0.92763 56 3PX 1.64143 0.24399 -0.05474 -1.01501 0.02744 57 3PY -0.47318 -0.32516 -0.29253 0.40712 -0.44712 58 3PZ -1.44828 0.26258 0.25697 0.52955 -0.00706 59 4XX 0.08487 -0.00855 0.16003 -0.09130 -0.15393 60 4YY 0.00621 -0.03322 -0.06463 -0.00776 -0.01614 61 4ZZ -0.08252 -0.04076 -0.11068 0.11357 0.17938 62 4XY -0.02401 -0.13375 0.06285 -0.00065 0.05292 63 4XZ -0.04633 -0.05688 -0.00521 -0.09808 0.00263 64 4YZ 0.00195 -0.06295 0.03483 0.00047 -0.12783 65 7 H 1S -0.25832 -0.18715 -0.06581 0.20873 -0.02796 66 2S -0.13942 -0.08630 -0.10946 0.31900 -0.25908 67 8 C 1S -0.02464 -0.04030 -0.02146 -0.00648 -0.00405 68 2S -0.94950 -0.63154 -0.43314 -0.26733 -0.09734 69 2PX -0.02200 0.06137 -0.09452 -0.17005 -0.14369 70 2PY -0.00047 0.01388 0.03527 -0.03508 -0.07195 71 2PZ -0.16223 -0.17206 -0.03302 -0.01383 0.06210 72 3S 4.16635 0.96440 1.41273 0.06129 0.92768 73 3PX -1.64138 0.24456 -0.05487 1.01500 0.02708 74 3PY -0.47300 0.32534 0.29255 0.40729 0.44699 75 3PZ 1.44843 0.26208 0.25702 -0.52947 -0.00687 76 4XX -0.08487 -0.00851 0.16003 0.09128 -0.15398 77 4YY -0.00622 -0.03322 -0.06463 0.00774 -0.01614 78 4ZZ 0.08249 -0.04078 -0.11067 -0.11353 0.17943 79 4XY -0.02396 0.13375 -0.06285 -0.00067 -0.05292 80 4XZ 0.04630 -0.05690 -0.00523 0.09808 0.00260 81 4YZ 0.00196 0.06294 -0.03483 0.00050 0.12784 82 9 H 1S 0.25825 -0.18723 -0.06578 -0.20876 -0.02789 83 2S 0.13938 -0.08633 -0.10941 -0.31907 -0.25897 84 10 C 1S 0.01107 -0.01395 0.00416 -0.01143 0.00660 85 2S 0.30698 -0.33940 0.19814 -0.21380 0.10835 86 2PX 0.06870 -0.02011 0.08084 0.01481 0.09010 87 2PY -0.09796 0.09119 -0.01163 -0.01915 -0.00694 88 2PZ 0.01154 -0.02703 -0.01593 -0.07034 0.05368 89 3S -1.62526 -0.21165 -1.15602 1.02226 -0.08340 90 3PX -1.63477 -0.13320 -0.75280 -0.20043 -0.82345 91 3PY 0.65999 -1.33819 0.12747 -0.78789 0.45863 92 3PZ 0.82981 0.13958 0.38355 0.36301 0.19274 93 4XX 0.07036 0.01690 -0.08884 -0.10771 -0.00336 94 4YY -0.04530 -0.03929 0.01158 -0.01049 -0.05515 95 4ZZ -0.02912 -0.00728 0.05852 0.13276 0.06768 96 4XY -0.00544 -0.02388 0.01149 0.04342 -0.22349 97 4XZ -0.00492 -0.02607 -0.12486 -0.04647 0.05125 98 4YZ -0.07293 -0.13817 0.10231 0.05341 -0.25310 99 11 O 1S 0.00570 -0.03228 -0.01198 0.01133 0.01279 100 2S 0.14207 -0.46636 -0.29333 0.13991 0.17227 101 2PX 0.15137 -0.03532 -0.02160 0.00167 0.04117 102 2PY 0.02753 -0.04907 -0.11264 -0.02485 0.00953 103 2PZ -0.05742 0.02587 -0.03172 0.00634 0.00329 104 3S -0.26667 1.72173 0.73396 -0.54949 -0.63062 105 3PX -0.49985 0.12415 0.14890 -0.02955 0.15906 106 3PY -0.16448 0.44584 0.33083 -0.10198 -0.18454 107 3PZ 0.17823 0.06257 -0.05084 0.05619 0.08249 108 4XX 0.02453 -0.08989 -0.07053 0.05867 0.00304 109 4YY 0.02948 -0.14169 -0.09958 0.06855 0.10583 110 4ZZ 0.04667 -0.16170 -0.04425 -0.01122 0.03844 111 4XY 0.07010 -0.01395 0.00703 -0.03556 -0.16240 112 4XZ 0.02525 -0.06901 -0.04728 0.01484 -0.01476 113 4YZ 0.00915 -0.08230 0.07286 -0.02395 -0.17339 114 12 O 1S -0.00571 -0.03227 -0.01198 -0.01133 0.01279 115 2S -0.14230 -0.46629 -0.29328 -0.13992 0.17232 116 2PX -0.15139 -0.03526 -0.02160 -0.00166 0.04117 117 2PY 0.02757 0.04906 0.11264 -0.02483 -0.00953 118 2PZ 0.05743 0.02585 -0.03172 -0.00634 0.00330 119 3S 0.26745 1.72156 0.73382 0.54949 -0.63082 120 3PX 0.49991 0.12392 0.14889 0.02964 0.15909 121 3PY -0.16472 -0.44577 -0.33080 -0.10200 0.18458 122 3PZ -0.17822 0.06265 -0.05085 -0.05616 0.08249 123 4XX -0.02457 -0.08987 -0.07051 -0.05869 0.00307 124 4YY -0.02956 -0.14167 -0.09957 -0.06854 0.10584 125 4ZZ -0.04675 -0.16168 -0.04425 0.01122 0.03843 126 4XY 0.07010 0.01392 -0.00703 -0.03550 0.16243 127 4XZ -0.02528 -0.06900 -0.04728 -0.01485 -0.01475 128 4YZ 0.00918 0.08231 -0.07287 -0.02389 0.17339 129 13 C 1S 0.00151 0.03620 0.03039 0.00010 0.01108 130 2S 0.45268 0.54948 0.26885 0.15999 0.00861 131 2PX -0.12981 -0.04694 0.01054 -0.14788 0.03586 132 2PY 0.08608 0.09214 0.10820 0.01385 -0.06989 133 2PZ -0.14523 -0.05044 -0.06283 0.00922 -0.01153 134 3S -0.53241 -1.18260 -0.97450 -2.30367 -0.35947 135 3PX -0.29680 -0.05478 -0.31234 -0.71966 -0.08266 136 3PY -0.75538 0.18457 -0.31000 -1.20627 0.21333 137 3PZ 0.56915 0.44661 0.14692 0.22219 -0.05627 138 4XX -0.12225 -0.03912 0.24335 0.03096 0.05812 139 4YY 0.00173 -0.02973 -0.03900 0.02342 0.01830 140 4ZZ 0.11142 0.13468 -0.17050 -0.09437 -0.06321 141 4XY 0.09767 -0.02665 0.06400 0.15925 0.06718 142 4XZ -0.08912 -0.02042 0.04028 0.10413 0.04675 143 4YZ 0.05642 -0.01614 0.10352 0.25320 0.02014 144 14 C 1S 0.00817 -0.00151 -0.00275 -0.05517 0.00420 145 2S 0.17258 0.06980 0.06090 -0.96624 0.09332 146 2PX -0.03181 -0.07543 -0.13252 0.03660 -0.03803 147 2PY 0.01039 0.07155 0.04835 0.02568 0.03571 148 2PZ -0.00503 0.02789 0.01851 -0.05387 0.02656 149 3S 0.24979 0.49724 0.50252 5.21596 0.10814 150 3PX -0.10932 -0.12052 -0.06434 -1.79227 0.16582 151 3PY -0.09347 -0.28335 -0.13840 1.86133 -0.28586 152 3PZ 0.20733 0.09057 0.18339 1.41349 -0.13003 153 4XX 0.07912 0.08839 -0.23184 -0.19581 -0.07670 154 4YY 0.00373 -0.01442 0.00371 0.00626 0.02014 155 4ZZ -0.07318 -0.08877 0.19759 0.16998 0.07676 156 4XY 0.01201 0.07110 -0.06634 0.00809 -0.02270 157 4XZ -0.04354 0.05273 -0.07745 0.01725 -0.03868 158 4YZ 0.00950 -0.02842 -0.24886 0.05934 -0.03628 159 15 C 1S -0.00817 -0.00151 -0.00275 0.05517 0.00419 160 2S -0.17256 0.06977 0.06077 0.96628 0.09304 161 2PX 0.03177 -0.07543 -0.13251 -0.03663 -0.03802 162 2PY 0.01036 -0.07156 -0.04836 0.02566 -0.03571 163 2PZ 0.00504 0.02789 0.01850 0.05389 0.02655 164 3S -0.24954 0.49779 0.50328 -5.21585 0.10956 165 3PX 0.10925 -0.12071 -0.06461 1.79230 0.16535 166 3PY -0.09337 0.28328 0.13813 1.86143 0.28534 167 3PZ -0.20728 0.09076 0.18362 -1.41350 -0.12966 168 4XX -0.07908 0.08841 -0.23186 0.19577 -0.07676 169 4YY -0.00373 -0.01442 0.00371 -0.00626 0.02015 170 4ZZ 0.07315 -0.08879 0.19760 -0.16995 0.07682 171 4XY 0.01197 -0.07110 0.06634 0.00812 0.02270 172 4XZ 0.04356 0.05271 -0.07744 -0.01727 -0.03867 173 4YZ 0.00950 0.02841 0.24885 0.05941 0.03626 174 16 C 1S -0.00149 0.03620 0.03039 -0.00009 0.01107 175 2S -0.45245 0.54968 0.26885 -0.15996 0.00861 176 2PX 0.12980 -0.04700 0.01053 0.14790 0.03582 177 2PY 0.08603 -0.09217 -0.10821 0.01383 0.06989 178 2PZ 0.14521 -0.05050 -0.06283 -0.00923 -0.01152 179 3S 0.53187 -1.18305 -0.97477 2.30356 -0.35999 180 3PX 0.29677 -0.05496 -0.31248 0.71955 -0.08286 181 3PY -0.75538 -0.18422 0.31023 -1.20629 -0.21302 182 3PZ -0.56895 0.44688 0.14699 -0.22214 -0.05623 183 4XX 0.12223 -0.03917 0.24335 -0.03092 0.05812 184 4YY -0.00174 -0.02973 -0.03900 -0.02342 0.01831 185 4ZZ -0.11136 0.13472 -0.17050 0.09434 -0.06323 186 4XY 0.09768 0.02659 -0.06403 0.15922 -0.06724 187 4XZ 0.08910 -0.02044 0.04029 -0.10411 0.04679 188 4YZ 0.05643 0.01611 -0.10356 0.25318 -0.02023 189 17 H 1S -0.28194 0.22465 0.14705 -0.09665 0.05892 190 2S -0.23661 0.19851 -0.08224 -0.24053 0.15315 191 18 H 1S -0.01059 0.03521 0.07183 0.21310 -0.10930 192 2S 0.03542 -0.04504 -0.05317 0.49808 -0.14067 193 19 H 1S 0.01061 0.03521 0.07187 -0.21312 -0.10924 194 2S -0.03544 -0.04501 -0.05309 -0.49813 -0.14054 195 20 H 1S 0.28204 0.22454 0.14701 0.09668 0.05889 196 2S 0.23665 0.19841 -0.08231 0.24054 0.15308 197 21 C 1S 0.00001 0.03728 -0.00667 0.00000 -0.03561 198 2S 0.00011 0.61915 0.05844 0.00001 -0.45744 199 2PX -0.00002 -0.11585 0.04314 -0.00001 -0.02574 200 2PY -0.10481 0.00002 0.00001 -0.04773 0.00000 201 2PZ -0.00003 -0.15053 -0.08597 -0.00002 -0.03067 202 3S -0.00023 -1.38266 0.43169 0.00000 1.17232 203 3PX 0.00010 0.52550 0.33352 0.00005 0.12834 204 3PY 0.42146 -0.00007 0.00000 -0.34621 0.00004 205 3PZ 0.00002 0.22839 0.06357 0.00006 0.10738 206 4XX 0.00000 0.02478 0.01776 0.00001 0.01191 207 4YY 0.00003 0.10475 -0.01001 -0.00001 -0.07544 208 4ZZ -0.00001 -0.03453 0.01923 0.00000 0.00535 209 4XY -0.17014 0.00005 0.00002 -0.21441 0.00004 210 4XZ 0.00001 0.04005 -0.00399 -0.00001 -0.06930 211 4YZ -0.00190 0.00000 0.00000 0.01313 0.00001 212 22 H 1S 0.00001 0.07824 -0.01724 0.00002 -0.00093 213 2S 0.00013 0.64801 0.08720 -0.00002 -0.35753 214 23 H 1S 0.00001 0.05968 -0.15713 -0.00001 -0.12558 215 2S -0.00001 -0.08257 -0.06224 -0.00004 -0.22559 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 -0.00748 -0.00157 0.00907 0.00687 0.00666 2 2S -0.17372 -0.08656 0.07703 0.01917 0.02298 3 2PX -0.02001 0.03066 0.03572 -0.12263 -0.02877 4 2PY 0.02233 0.02686 -0.06069 -0.06692 -0.04211 5 2PZ 0.04312 0.07152 0.12240 -0.04827 0.03369 6 3S 0.87070 0.41836 -0.53798 -0.64803 -0.45139 7 3PX 0.37271 0.20326 -0.31353 -0.24194 -0.24272 8 3PY -0.19805 -0.01625 0.07153 -0.03356 0.01592 9 3PZ -0.37013 -0.18625 0.14959 0.20305 0.14426 10 4XX -0.03353 -0.24740 -0.25151 0.10596 -0.05552 11 4YY 0.00447 -0.00978 0.01874 -0.00657 0.02584 12 4ZZ 0.02418 0.25718 0.22094 -0.09586 0.01194 13 4XY 0.00369 -0.04229 0.19152 -0.24457 -0.00063 14 4XZ -0.00612 -0.08442 -0.13938 0.05700 -0.07935 15 4YZ 0.01993 -0.02532 0.23921 -0.28913 -0.02685 16 2 H 1S 0.05071 -0.00458 -0.02664 -0.02252 -0.01570 17 2S 0.12406 0.04771 -0.08868 -0.03247 -0.07551 18 3 C 1S 0.00748 0.00157 0.00907 0.00687 0.00666 19 2S 0.17370 0.08655 0.07705 0.01918 0.02300 20 2PX 0.02001 -0.03065 0.03572 -0.12263 -0.02877 21 2PY 0.02231 0.02686 0.06069 0.06692 0.04211 22 2PZ -0.04312 -0.07154 0.12239 -0.04827 0.03369 23 3S -0.87065 -0.41822 -0.53807 -0.64806 -0.45151 24 3PX -0.37266 -0.20321 -0.31357 -0.24195 -0.24277 25 3PY -0.19800 -0.01627 -0.07153 0.03363 -0.01596 26 3PZ 0.37011 0.18622 0.14964 0.20307 0.14430 27 4XX 0.03356 0.24742 -0.25148 0.10599 -0.05552 28 4YY -0.00447 0.00978 0.01875 -0.00658 0.02584 29 4ZZ -0.02420 -0.25720 0.22090 -0.09588 0.01193 30 4XY 0.00369 -0.04228 -0.19151 0.24457 0.00063 31 4XZ 0.00613 0.08444 -0.13938 0.05702 -0.07935 32 4YZ 0.01993 -0.02531 -0.23920 0.28913 0.02685 33 4 H 1S -0.05070 0.00458 -0.02665 -0.02252 -0.01571 34 2S -0.12404 -0.04771 -0.08869 -0.03247 -0.07553 35 5 C 1S 0.00264 -0.00502 -0.01029 -0.01029 -0.00908 36 2S 0.05945 -0.02606 -0.34296 -0.45077 -0.27221 37 2PX 0.04245 0.06789 -0.05050 -0.05408 0.01019 38 2PY 0.03557 -0.01472 -0.04455 -0.07126 -0.03955 39 2PZ -0.01038 0.06391 -0.03388 -0.01305 -0.02773 40 3S 0.17034 0.47287 0.57024 1.43680 0.55020 41 3PX -0.36531 -0.17018 -0.11585 -0.10380 -0.11316 42 3PY 0.01465 0.29581 0.97265 0.79100 0.78773 43 3PZ 0.22701 -0.12174 0.28934 0.34091 0.28222 44 4XX 0.10823 -0.21211 0.08578 -0.01106 0.06170 45 4YY -0.04004 -0.05293 -0.02758 -0.00893 -0.03898 46 4ZZ -0.05218 0.25925 -0.07706 0.00956 -0.04543 47 4XY 0.10898 0.22109 -0.09049 -0.02044 -0.01780 48 4XZ 0.06230 -0.08862 -0.00559 0.01704 -0.06645 49 4YZ 0.17289 0.23983 -0.03021 -0.03955 0.00672 50 6 C 1S -0.00192 0.00783 -0.01063 -0.00492 0.00066 51 2S -0.16959 0.19416 -0.19843 -0.12319 0.10381 52 2PX -0.01677 -0.01430 -0.12069 -0.14825 0.02447 53 2PY -0.02199 0.00613 0.09013 0.16388 0.04797 54 2PZ -0.08312 0.01800 0.01587 0.05611 0.04428 55 3S 0.60360 -0.77798 0.46400 0.31875 -0.06259 56 3PX -0.17009 0.32793 0.48963 0.56690 0.16549 57 3PY 0.10680 -0.24155 -0.54531 -0.62723 -0.31835 58 3PZ 0.01039 -0.04815 -0.25902 -0.46363 -0.31951 59 4XX -0.12957 0.03561 -0.09868 -0.00643 -0.13788 60 4YY -0.01393 -0.00375 0.05020 0.03410 0.09459 61 4ZZ 0.14048 -0.03560 0.02512 -0.04644 -0.00718 62 4XY 0.00692 0.02224 -0.00577 0.15981 0.10724 63 4XZ 0.00564 -0.03487 -0.00851 0.07362 -0.04459 64 4YZ -0.05196 0.04269 -0.10318 0.06693 0.03634 65 7 H 1S -0.04960 -0.00681 -0.12868 -0.13623 -0.08583 66 2S 0.01904 -0.01628 -0.35502 -0.46772 -0.20249 67 8 C 1S 0.00192 -0.00782 -0.01063 -0.00492 0.00066 68 2S 0.16960 -0.19410 -0.19843 -0.12319 0.10381 69 2PX 0.01678 0.01433 -0.12070 -0.14827 0.02447 70 2PY -0.02198 0.00615 -0.09013 -0.16388 -0.04797 71 2PZ 0.08312 -0.01800 0.01587 0.05610 0.04428 72 3S -0.60358 0.77782 0.46393 0.31869 -0.06256 73 3PX 0.17002 -0.32803 0.48968 0.56699 0.16549 74 3PY 0.10675 -0.24168 0.54529 0.62713 0.31832 75 3PZ -0.01034 0.04821 -0.25899 -0.46362 -0.31950 76 4XX 0.12957 -0.03559 -0.09866 -0.00643 -0.13788 77 4YY 0.01392 0.00374 0.05020 0.03410 0.09459 78 4ZZ -0.14047 0.03560 0.02510 -0.04645 -0.00718 79 4XY 0.00692 0.02226 0.00578 -0.15981 -0.10723 80 4XZ -0.00565 0.03486 -0.00849 0.07363 -0.04459 81 4YZ -0.05195 0.04267 0.10317 -0.06694 -0.03634 82 9 H 1S 0.04962 0.00684 -0.12866 -0.13621 -0.08583 83 2S -0.01901 0.01636 -0.35502 -0.46771 -0.20249 84 10 C 1S -0.00264 0.00502 -0.01029 -0.01029 -0.00908 85 2S -0.05939 0.02612 -0.34298 -0.45078 -0.27220 86 2PX -0.04244 -0.06789 -0.05052 -0.05409 0.01019 87 2PY 0.03557 -0.01472 0.04456 0.07126 0.03955 88 2PZ 0.01039 -0.06391 -0.03389 -0.01305 -0.02773 89 3S -0.17049 -0.47301 0.57025 1.43684 0.55015 90 3PX 0.36526 0.17026 -0.11579 -0.10372 -0.11316 91 3PY 0.01478 0.29596 -0.97265 -0.79099 -0.78767 92 3PZ -0.22704 0.12166 0.28932 0.34085 0.28220 93 4XX -0.10823 0.21212 0.08578 -0.01106 0.06170 94 4YY 0.04003 0.05292 -0.02757 -0.00893 -0.03897 95 4ZZ 0.05219 -0.25924 -0.07707 0.00956 -0.04543 96 4XY 0.10896 0.22107 0.09054 0.02046 0.01780 97 4XZ -0.06229 0.08863 -0.00559 0.01704 -0.06645 98 4YZ 0.17287 0.23982 0.03027 0.03958 -0.00671 99 11 O 1S 0.00111 -0.00228 -0.01420 0.00156 -0.01303 100 2S 0.04867 -0.03767 -0.13671 0.20275 -0.09869 101 2PX 0.00238 0.03667 0.01133 0.02021 0.00819 102 2PY 0.02009 -0.02249 0.05224 0.14493 0.04873 103 2PZ 0.06551 0.02644 0.00300 -0.01871 -0.00007 104 3S -0.11111 0.12309 0.72084 -0.24020 0.56654 105 3PX 0.12293 0.06721 -0.00842 -0.03418 0.02425 106 3PY -0.05912 0.01183 0.12432 -0.25313 0.08836 107 3PZ -0.06156 0.10536 -0.03523 -0.04797 -0.03209 108 4XX 0.01311 -0.11854 0.02431 0.03208 0.00093 109 4YY 0.04356 0.02648 -0.06449 0.05006 -0.04439 110 4ZZ -0.02710 0.05755 -0.07262 0.04235 -0.05094 111 4XY -0.10519 -0.12089 0.04028 0.02664 0.00082 112 4XZ -0.00254 -0.05420 -0.03627 -0.01914 -0.05680 113 4YZ -0.09523 -0.18239 0.01594 0.05321 0.02174 114 12 O 1S -0.00110 0.00228 -0.01420 0.00156 -0.01303 115 2S -0.04867 0.03767 -0.13672 0.20275 -0.09869 116 2PX -0.00238 -0.03668 0.01132 0.02020 0.00819 117 2PY 0.02010 -0.02247 -0.05224 -0.14493 -0.04873 118 2PZ -0.06551 -0.02644 0.00299 -0.01872 -0.00008 119 3S 0.11105 -0.12315 0.72085 -0.24021 0.56651 120 3PX -0.12292 -0.06722 -0.00844 -0.03418 0.02425 121 3PY -0.05911 0.01182 -0.12433 0.25312 -0.08836 122 3PZ 0.06157 -0.10535 -0.03523 -0.04797 -0.03209 123 4XX -0.01312 0.11853 0.02431 0.03208 0.00093 124 4YY -0.04355 -0.02647 -0.06450 0.05006 -0.04439 125 4ZZ 0.02710 -0.05755 -0.07262 0.04236 -0.05094 126 4XY -0.10517 -0.12089 -0.04032 -0.02666 -0.00083 127 4XZ 0.00254 0.05420 -0.03627 -0.01913 -0.05680 128 4YZ -0.09522 -0.18239 -0.01598 -0.05323 -0.02174 129 13 C 1S -0.01199 0.00380 0.02420 0.01453 0.00772 130 2S -0.21095 0.02730 0.30654 0.15684 0.15818 131 2PX 0.10216 0.00787 -0.05898 -0.06756 -0.01620 132 2PY -0.00674 0.06252 -0.12336 -0.11109 -0.10655 133 2PZ -0.00188 -0.00504 -0.02745 -0.02596 -0.03838 134 3S 1.51122 -0.49678 -1.00931 -0.43726 -1.09519 135 3PX 0.01502 -0.29885 0.31885 0.37046 0.21708 136 3PY 0.71551 -0.69458 0.65640 0.73316 -0.22017 137 3PZ -0.04523 0.22473 -0.06714 -0.09343 -0.44552 138 4XX -0.21892 0.06961 0.01870 0.01192 -0.09626 139 4YY -0.05214 -0.01567 0.02883 0.03719 0.01634 140 4ZZ 0.27170 -0.06022 -0.03152 -0.04730 0.04511 141 4XY 0.17679 -0.02439 0.01850 0.08140 0.09970 142 4XZ 0.04445 -0.03357 -0.00746 -0.00389 -0.05187 143 4YZ -0.01525 0.03845 -0.01651 0.01438 -0.02605 144 14 C 1S 0.02396 -0.00743 0.00980 0.00953 0.00651 145 2S 0.36380 -0.10871 0.21743 0.24646 0.05273 146 2PX 0.00423 -0.01068 -0.09411 -0.09481 0.13345 147 2PY -0.03838 0.01497 0.07698 0.07759 0.00062 148 2PZ 0.08302 -0.04663 -0.01658 -0.02511 0.06147 149 3S -2.42957 1.25881 -0.05600 -0.23843 -0.08105 150 3PX 0.91817 -0.47121 0.34398 0.43910 0.06044 151 3PY -1.23876 0.61708 -0.52170 -0.49771 -0.07759 152 3PZ -0.75376 0.48950 -0.28508 -0.32846 -0.11195 153 4XX 0.17959 -0.04868 -0.09155 -0.10247 0.21726 154 4YY -0.01108 0.00286 0.05091 0.06294 -0.01086 155 4ZZ -0.15515 0.04211 0.04455 0.03377 -0.18975 156 4XY 0.00617 0.00255 0.16562 0.13346 -0.33709 157 4XZ 0.04110 -0.02896 -0.05174 -0.08003 -0.06168 158 4YZ 0.03831 -0.01105 0.12994 0.11251 -0.25101 159 15 C 1S -0.02396 0.00743 0.00980 0.00954 0.00651 160 2S -0.36383 0.10866 0.21749 0.24651 0.05274 161 2PX -0.00422 0.01071 -0.09411 -0.09481 0.13345 162 2PY -0.03837 0.01499 -0.07697 -0.07759 -0.00062 163 2PZ -0.08302 0.04663 -0.01658 -0.02511 0.06147 164 3S 2.42960 -1.25880 -0.05657 -0.23885 -0.08110 165 3PX -0.91821 0.47113 0.34419 0.43926 0.06047 166 3PY -1.23879 0.61697 0.52193 0.49785 0.07762 167 3PZ 0.75379 -0.48944 -0.28528 -0.32860 -0.11198 168 4XX -0.17958 0.04871 -0.09154 -0.10248 0.21726 169 4YY 0.01108 -0.00287 0.05090 0.06294 -0.01086 170 4ZZ 0.15515 -0.04213 0.04455 0.03378 -0.18975 171 4XY 0.00619 0.00257 -0.16562 -0.13346 0.33709 172 4XZ -0.04110 0.02897 -0.05174 -0.08003 -0.06168 173 4YZ 0.03833 -0.01104 -0.12993 -0.11251 0.25101 174 16 C 1S 0.01199 -0.00380 0.02420 0.01453 0.00772 175 2S 0.21091 -0.02736 0.30651 0.15681 0.15817 176 2PX -0.10215 -0.00786 -0.05898 -0.06756 -0.01620 177 2PY -0.00675 0.06250 0.12338 0.11110 0.10656 178 2PZ 0.00188 0.00505 -0.02745 -0.02596 -0.03839 179 3S -1.51115 0.49703 -1.00905 -0.43705 -1.09516 180 3PX -0.01507 0.29880 0.31899 0.37056 0.21710 181 3PY 0.71557 -0.69446 -0.65666 -0.73332 0.22014 182 3PZ 0.04524 -0.22469 -0.06721 -0.09349 -0.44553 183 4XX 0.21892 -0.06963 0.01870 0.01193 -0.09625 184 4YY 0.05214 0.01567 0.02883 0.03720 0.01634 185 4ZZ -0.27170 0.06023 -0.03153 -0.04731 0.04511 186 4XY 0.17679 -0.02437 -0.01849 -0.08140 -0.09971 187 4XZ -0.04444 0.03356 -0.00746 -0.00389 -0.05186 188 4YZ -0.01525 0.03846 0.01653 -0.01437 0.02605 189 17 H 1S 0.00823 -0.11189 0.23243 0.18661 0.03555 190 2S 0.09821 -0.25147 0.47901 0.41097 0.14311 191 18 H 1S -0.17583 0.09676 -0.16524 -0.18216 -0.13601 192 2S -0.38787 0.23043 -0.25159 -0.26187 -0.03528 193 19 H 1S 0.17584 -0.09672 -0.16528 -0.18218 -0.13602 194 2S 0.38789 -0.23037 -0.25167 -0.26192 -0.03530 195 20 H 1S -0.00826 0.11184 0.23247 0.18663 0.03556 196 2S -0.09825 0.25137 0.47909 0.41101 0.14312 197 21 C 1S 0.00000 0.00001 -0.04559 -0.04445 -0.07369 198 2S 0.00002 0.00007 -0.50408 -0.57426 -0.95440 199 2PX 0.00000 0.00001 -0.08661 -0.08410 -0.13834 200 2PY 0.04972 -0.06091 -0.00001 -0.00001 0.00000 201 2PZ 0.00000 0.00000 0.10158 0.00326 0.03070 202 3S -0.00005 -0.00020 1.13614 1.27228 3.07380 203 3PX 0.00001 -0.00005 0.28841 -0.04141 0.47288 204 3PY 0.46408 0.08329 0.00001 0.00001 0.00000 205 3PZ 0.00001 0.00001 -0.17201 0.13566 -0.54640 206 4XX 0.00000 0.00000 -0.03781 0.00664 0.04228 207 4YY 0.00000 0.00000 -0.05320 -0.08250 0.11157 208 4ZZ 0.00000 0.00000 0.02367 -0.00417 -0.23898 209 4XY -0.38766 0.11330 -0.00001 -0.00001 0.00001 210 4XZ 0.00000 0.00000 0.00324 -0.08842 0.01181 211 4YZ -0.21856 0.07995 0.00000 0.00000 0.00000 212 22 H 1S 0.00001 0.00002 -0.19515 -0.07439 -0.27689 213 2S 0.00000 0.00001 0.17014 -0.43048 -0.03602 214 23 H 1S 0.00001 0.00003 -0.22524 -0.11181 -0.19033 215 2S 0.00001 0.00003 -0.15047 -0.26350 -0.30476 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 0.02920 -0.00655 0.00372 -0.05934 -0.02992 2 2S 0.62459 -0.08361 -0.03854 -1.05206 -0.45925 3 2PX 0.12045 -0.00728 -0.00923 -0.15682 -0.01619 4 2PY -0.03155 -0.00387 -0.07069 0.02089 0.03604 5 2PZ -0.09128 -0.05022 -0.00963 0.08585 -0.00198 6 3S -3.70282 0.57904 -0.08588 7.05342 3.40742 7 3PX -1.70170 0.06285 0.14933 3.35184 1.44860 8 3PY 2.04212 0.33614 -0.12257 -2.59919 -0.71752 9 3PZ 1.21414 0.01994 -0.08607 -2.38527 -1.01079 10 4XX 0.04434 0.07616 0.06964 -0.00591 0.02334 11 4YY -0.00805 0.02404 -0.11446 0.02398 0.01561 12 4ZZ -0.03351 -0.12460 0.08432 0.02156 -0.00941 13 4XY 0.05468 0.01185 0.02853 -0.02323 0.00072 14 4XZ 0.00538 0.06178 0.10912 0.05613 0.02014 15 4YZ 0.02496 -0.07454 -0.06413 0.02121 0.02543 16 2 H 1S -0.31233 0.00594 0.11030 0.45245 0.10178 17 2S -0.68843 -0.10621 0.07152 1.13340 0.35061 18 3 C 1S -0.02921 -0.00655 0.00375 0.05934 0.02992 19 2S -0.62460 -0.08357 -0.03801 1.05209 0.45927 20 2PX -0.12045 -0.00727 -0.00915 0.15684 0.01621 21 2PY -0.03156 0.00387 0.07070 0.02083 0.03602 22 2PZ 0.09127 -0.05022 -0.00967 -0.08586 0.00198 23 3S 3.70287 0.57871 -0.08946 -7.05331 -3.40738 24 3PX 1.70179 0.06271 0.14766 -3.35196 -1.44861 25 3PY 2.04209 -0.33625 0.12127 -2.59915 -0.71746 26 3PZ -1.21415 0.02003 -0.08487 2.38529 1.01077 27 4XX -0.04433 0.07615 0.06965 0.00587 -0.02336 28 4YY 0.00804 0.02404 -0.11447 -0.02392 -0.01560 29 4ZZ 0.03350 -0.12460 0.08431 -0.02160 0.00941 30 4XY 0.05469 -0.01185 -0.02855 -0.02321 0.00073 31 4XZ -0.00537 0.06178 0.10910 -0.05616 -0.02013 32 4YZ 0.02496 0.07454 0.06414 0.02117 0.02541 33 4 H 1S 0.31233 0.00593 0.11007 -0.45250 -0.10179 34 2S 0.68844 -0.10625 0.07096 -1.13343 -0.35060 35 5 C 1S 0.02111 -0.01093 0.00376 -0.03607 -0.02213 36 2S 0.28665 0.03355 0.15842 -0.73601 -0.44464 37 2PX 0.11092 0.01454 0.05342 -0.15887 0.00765 38 2PY 0.00314 0.01757 0.09064 -0.07251 0.01348 39 2PZ -0.07387 0.07432 -0.06007 0.03335 -0.04115 40 3S -2.60927 -0.25327 -0.01118 4.36476 3.33048 41 3PX -0.50429 0.66014 -0.36282 -0.29100 -0.20796 42 3PY -0.97156 0.67502 -0.58502 2.56433 1.43062 43 3PZ 0.49678 -0.53283 0.23987 0.55087 0.57586 44 4XX 0.22560 -0.02491 -0.06234 0.03411 0.16435 45 4YY -0.06537 -0.03704 0.00876 0.03842 -0.03801 46 4ZZ -0.19327 0.03105 0.09005 0.00216 -0.09468 47 4XY 0.06968 0.01790 -0.15135 -0.03974 0.02746 48 4XZ 0.05652 -0.10148 0.17713 0.07772 0.05262 49 4YZ 0.13457 -0.00881 0.03590 0.04118 0.08222 50 6 C 1S -0.03744 0.03224 -0.01139 0.00246 -0.02982 51 2S -0.28290 0.40990 0.05638 0.19997 -0.32316 52 2PX -0.03099 0.07718 -0.07122 0.15227 -0.13224 53 2PY 0.03191 -0.01190 -0.06512 0.08284 0.09690 54 2PZ 0.09345 0.13767 0.10550 -0.08787 0.06770 55 3S 2.33848 -1.30724 0.46083 -2.83232 -0.06078 56 3PX -0.51106 0.21476 0.01328 0.50633 1.86144 57 3PY -0.29423 0.28149 -0.08402 -1.15230 -0.61300 58 3PZ -0.31166 -0.42739 0.03039 -0.16766 -1.58763 59 4XX -0.12468 0.17747 0.02588 -0.06089 -0.04817 60 4YY 0.02765 0.07404 0.02270 0.00221 0.01035 61 4ZZ 0.07862 -0.24075 -0.01794 -0.01020 -0.03170 62 4XY 0.03626 -0.27443 -0.25106 -0.04421 -0.01095 63 4XZ -0.03975 -0.15430 0.16090 -0.01529 0.03066 64 4YZ -0.08180 -0.15643 -0.06711 0.02520 -0.15286 65 7 H 1S -0.28092 0.10745 -0.03865 -0.01814 -0.46778 66 2S -0.33240 -0.04677 -0.02679 0.01038 -0.84970 67 8 C 1S 0.03745 0.03225 -0.01139 -0.00246 0.02982 68 2S 0.28292 0.40992 0.05631 -0.20000 0.32311 69 2PX 0.03101 0.07719 -0.07128 -0.15222 0.13226 70 2PY 0.03192 0.01190 0.06517 0.08280 0.09689 71 2PZ -0.09344 0.13767 0.10553 0.08782 -0.06772 72 3S -2.33852 -1.30717 0.46219 2.83209 0.06086 73 3PX 0.51098 0.21459 0.01288 -0.50638 -1.86153 74 3PY -0.29429 -0.28153 0.08342 -1.15235 -0.61297 75 3PZ 0.31168 -0.42729 0.03062 0.16768 1.58768 76 4XX 0.12469 0.17749 0.02592 0.06089 0.04815 77 4YY -0.02765 0.07403 0.02269 -0.00223 -0.01037 78 4ZZ -0.07863 -0.24076 -0.01793 0.01021 0.03173 79 4XY 0.03627 0.27443 0.25104 -0.04433 -0.01100 80 4XZ 0.03975 -0.15430 0.16091 0.01521 -0.03067 81 4YZ -0.08180 0.15643 0.06710 0.02517 -0.15289 82 9 H 1S 0.28093 0.10748 -0.03860 0.01818 0.46778 83 2S 0.33243 -0.04672 -0.02672 -0.01035 0.84972 84 10 C 1S -0.02111 -0.01092 0.00378 0.03607 0.02213 85 2S -0.28661 0.03360 0.15879 0.73597 0.44467 86 2PX -0.11091 0.01455 0.05349 0.15883 -0.00767 87 2PY 0.00314 -0.01758 -0.09068 -0.07248 0.01347 88 2PZ 0.07388 0.07432 -0.06008 -0.03331 0.04116 89 3S 2.60919 -0.25354 -0.01347 -4.36482 -3.33056 90 3PX 0.50427 0.66010 -0.36266 0.29129 0.20804 91 3PY -0.97147 -0.67487 0.58636 2.56414 1.43074 92 3PZ -0.49680 -0.53285 0.23959 -0.55105 -0.57589 93 4XX -0.22561 -0.02492 -0.06236 -0.03409 -0.16434 94 4YY 0.06537 -0.03703 0.00874 -0.03842 0.03802 95 4ZZ 0.19328 0.03106 0.09006 -0.00220 0.09467 96 4XY 0.06969 -0.01790 0.15134 -0.03983 0.02744 97 4XZ -0.05651 -0.10148 0.17709 -0.07780 -0.05261 98 4YZ 0.13457 0.00882 -0.03587 0.04121 0.08223 99 11 O 1S -0.00788 -0.02144 0.01560 -0.00430 0.00139 100 2S -0.12856 -0.38842 0.20266 0.11007 0.15821 101 2PX 0.07735 -0.01125 -0.07542 -0.00932 0.02939 102 2PY -0.03023 -0.06714 0.03882 0.09214 0.11100 103 2PZ 0.00964 -0.01472 0.03119 0.05395 0.05095 104 3S 0.32611 1.23329 -0.74583 0.23453 -0.16553 105 3PX -0.01934 -0.03763 0.10185 0.06995 0.02549 106 3PY 0.21343 0.39763 -0.20335 -0.22340 -0.24500 107 3PZ -0.02995 0.13818 -0.08935 -0.13533 -0.14865 108 4XX 0.07765 -0.10900 -0.01226 0.02932 0.11087 109 4YY -0.00211 -0.13141 0.05193 0.01573 0.05260 110 4ZZ -0.16775 -0.03165 0.13016 -0.01300 -0.07278 111 4XY -0.05283 0.00397 0.11323 -0.01405 -0.08712 112 4XZ -0.02975 -0.04284 0.16027 0.03443 0.01589 113 4YZ -0.07788 -0.04443 -0.06633 0.00528 -0.03662 114 12 O 1S 0.00788 -0.02144 0.01560 0.00429 -0.00139 115 2S 0.12857 -0.38841 0.20261 -0.11016 -0.15818 116 2PX -0.07735 -0.01125 -0.07542 0.00936 -0.02937 117 2PY -0.03022 0.06714 -0.03877 0.09216 0.11100 118 2PZ -0.00964 -0.01472 0.03116 -0.05398 -0.05095 119 3S -0.32616 1.23323 -0.74595 -0.23425 0.16542 120 3PX 0.01935 -0.03764 0.10182 -0.07002 -0.02552 121 3PY 0.21343 -0.39762 0.20323 -0.22348 -0.24497 122 3PZ 0.02995 0.13819 -0.08928 0.13539 0.14866 123 4XX -0.07766 -0.10901 -0.01229 -0.02932 -0.11086 124 4YY 0.00211 -0.13140 0.05192 -0.01575 -0.05258 125 4ZZ 0.16775 -0.03164 0.13018 0.01295 0.07277 126 4XY -0.05283 -0.00398 -0.11324 -0.01399 -0.08710 127 4XZ 0.02975 -0.04284 0.16026 -0.03450 -0.01588 128 4YZ -0.07788 0.04443 0.06632 0.00524 -0.03663 129 13 C 1S 0.01155 -0.01623 0.03218 0.01702 0.03110 130 2S 0.15393 -0.22943 0.37072 0.39229 0.54437 131 2PX -0.05255 0.07332 -0.05988 -0.15111 -0.09527 132 2PY 0.04937 -0.17141 -0.02385 -0.03996 -0.01696 133 2PZ 0.07063 0.00477 -0.05947 0.03878 -0.12977 134 3S -1.47033 0.06355 -1.60013 -2.17980 -0.31170 135 3PX -0.40269 -0.13842 0.34028 0.01424 0.53406 136 3PY -1.15248 0.07011 -0.08628 -0.72497 0.35125 137 3PZ 0.33258 -0.21918 -0.31367 0.10217 0.10824 138 4XX -0.07250 -0.00072 0.06482 -0.18233 0.16588 139 4YY 0.00260 0.10595 -0.14956 0.09002 0.10147 140 4ZZ 0.05858 -0.13175 0.09432 0.05429 -0.26311 141 4XY -0.20952 0.02077 -0.05366 -0.16695 0.11174 142 4XZ -0.07615 -0.05801 0.00951 -0.12141 -0.02427 143 4YZ -0.07458 -0.09073 0.00520 -0.01495 0.03294 144 14 C 1S -0.02200 0.00083 0.00344 -0.02732 0.03053 145 2S -0.31780 0.03312 -0.02571 -0.39342 0.52149 146 2PX 0.03898 0.03382 -0.00938 0.05860 -0.11424 147 2PY 0.03414 -0.01317 0.02489 0.01778 -0.05702 148 2PZ 0.00270 -0.04827 0.01975 -0.00879 -0.03626 149 3S 2.77940 0.01574 0.05738 2.76756 -2.37634 150 3PX -1.27082 0.20851 -0.09041 -1.30029 0.97014 151 3PY 1.34893 -0.20694 0.01635 1.39233 -1.19124 152 3PZ 1.05956 -0.14463 0.09899 1.07488 -0.72663 153 4XX 0.08328 -0.03043 -0.04175 0.12990 -0.15578 154 4YY 0.01427 0.05869 -0.03684 0.01728 -0.01846 155 4ZZ -0.07838 -0.04356 0.08346 -0.12797 0.15124 156 4XY -0.00664 -0.02277 0.01614 0.00002 -0.03231 157 4XZ 0.04120 -0.15026 0.03690 0.07166 -0.16626 158 4YZ -0.00076 0.10693 -0.13184 0.03941 -0.07308 159 15 C 1S 0.02200 0.00083 0.00345 0.02732 -0.03053 160 2S 0.31778 0.03307 -0.02556 0.39342 -0.52151 161 2PX -0.03897 0.03383 -0.00939 -0.05860 0.11424 162 2PY 0.03414 0.01316 -0.02489 0.01779 -0.05701 163 2PZ -0.00270 -0.04827 0.01976 0.00878 0.03626 164 3S -2.77942 0.01601 0.05618 -2.76759 2.37638 165 3PX 1.27079 0.20840 -0.08985 1.30033 -0.97018 166 3PY 1.34888 0.20682 -0.01578 1.39233 -1.19126 167 3PZ -1.05955 -0.14454 0.09851 -1.07493 0.72665 168 4XX -0.08327 -0.03041 -0.04179 -0.12989 0.15580 169 4YY -0.01428 0.05869 -0.03684 -0.01727 0.01846 170 4ZZ 0.07837 -0.04358 0.08350 0.12793 -0.15125 171 4XY -0.00663 0.02277 -0.01614 0.00002 -0.03230 172 4XZ -0.04119 -0.15025 0.03688 -0.07167 0.16626 173 4YZ -0.00076 -0.10694 0.13185 0.03935 -0.07308 174 16 C 1S -0.01155 -0.01624 0.03217 -0.01704 -0.03110 175 2S -0.15397 -0.22948 0.37048 -0.39246 -0.54438 176 2PX 0.05256 0.07333 -0.05980 0.15114 0.09527 177 2PY 0.04937 0.17140 0.02383 -0.03998 -0.01697 178 2PZ -0.07063 0.00478 -0.05947 -0.03876 0.12977 179 3S 1.47047 0.06356 -1.59902 2.18056 0.31175 180 3PX 0.40268 -0.13850 0.34028 -0.01440 -0.53409 181 3PY -1.15246 -0.07005 0.08592 -0.72503 0.35130 182 3PZ -0.33258 -0.21917 -0.31375 -0.10203 -0.10820 183 4XX 0.07250 -0.00074 0.06489 0.18230 -0.16590 184 4YY -0.00261 0.10594 -0.14961 -0.08996 -0.10146 185 4ZZ -0.05857 -0.13172 0.09432 -0.05433 0.26312 186 4XY -0.20951 -0.02075 0.05360 -0.16697 0.11174 187 4XZ 0.07614 -0.05801 0.00957 0.12141 0.02427 188 4YZ -0.07458 0.09074 -0.00519 -0.01495 0.03294 189 17 H 1S -0.13401 -0.15461 0.32450 -0.03528 0.04666 190 2S -0.32544 0.10064 0.20610 0.03420 0.24941 191 18 H 1S 0.25485 -0.22698 0.11194 0.24830 -0.23246 192 2S 0.55765 -0.11208 0.01520 0.56632 -0.36229 193 19 H 1S -0.25483 -0.22695 0.11184 -0.24835 0.23246 194 2S -0.55762 -0.11203 0.01495 -0.56633 0.36231 195 20 H 1S 0.13399 -0.15462 0.32452 0.03513 -0.04669 196 2S 0.32541 0.10060 0.20607 -0.03430 -0.24946 197 21 C 1S 0.00000 -0.04697 -0.05525 0.00001 0.00000 198 2S 0.00002 -0.76797 -0.81198 0.00019 0.00004 199 2PX 0.00001 0.09298 0.09515 -0.00002 0.00000 200 2PY -0.11084 0.00000 -0.00001 -0.00597 -0.04491 201 2PZ 0.00000 0.25947 -0.04516 0.00001 -0.00001 202 3S -0.00007 1.48171 2.84211 -0.00066 -0.00010 203 3PX -0.00005 -0.04761 -0.16425 0.00002 0.00000 204 3PY -0.00895 -0.00002 -0.00012 -0.51468 -0.22472 205 3PZ 0.00000 -0.58249 -0.28567 0.00007 0.00001 206 4XX 0.00000 0.01225 0.03426 -0.00001 0.00000 207 4YY 0.00000 -0.12340 0.21666 -0.00005 0.00000 208 4ZZ 0.00000 0.09173 -0.26546 0.00006 0.00001 209 4XY 0.24108 0.00000 0.00001 0.08428 -0.01973 210 4XZ 0.00001 0.01129 0.16761 -0.00003 -0.00001 211 4YZ 0.17312 0.00000 0.00004 0.19242 -0.01104 212 22 H 1S 0.00000 -0.11928 -0.11600 0.00003 0.00001 213 2S -0.00001 -0.23122 -0.50429 0.00011 0.00002 214 23 H 1S 0.00001 -0.24086 -0.19622 0.00005 0.00002 215 2S 0.00002 0.17089 -0.16591 0.00004 0.00000 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 -0.00603 0.00056 0.00078 -0.00275 -0.01236 2 2S 0.25547 0.01899 0.06251 -0.03722 0.08198 3 2PX 0.12485 -0.00344 0.00146 -0.02900 0.08474 4 2PY 0.13098 0.00536 0.08179 0.02282 0.06395 5 2PZ -0.06556 -0.00731 -0.01149 0.00980 -0.12159 6 3S 0.26514 -0.10012 -1.13171 0.04212 0.18009 7 3PX -0.22505 0.02571 -0.66733 0.05635 0.20027 8 3PY 0.19514 -0.06694 0.38402 -0.10008 0.63580 9 3PZ 0.10419 0.06265 0.50907 -0.02544 -0.04731 10 4XX -0.12832 0.14805 -0.00822 0.03388 0.12283 11 4YY 0.11298 -0.01439 0.03377 0.01052 0.02796 12 4ZZ 0.01134 -0.12287 -0.03372 -0.04959 -0.12205 13 4XY -0.17837 0.02837 0.00093 -0.04843 -0.03968 14 4XZ 0.24497 0.06713 0.00850 -0.07538 0.15132 15 4YZ 0.15476 0.09345 -0.02047 0.01942 0.03894 16 2 H 1S -0.12218 -0.01113 -0.06437 -0.05142 -0.03435 17 2S -0.07440 0.01941 -0.17784 0.04101 -0.06405 18 3 C 1S -0.00603 0.00055 -0.00078 -0.00275 0.01236 19 2S 0.25536 0.01895 -0.06252 -0.03721 -0.08199 20 2PX 0.12483 -0.00344 -0.00146 -0.02900 -0.08474 21 2PY -0.13098 -0.00533 0.08179 -0.02282 0.06395 22 2PZ -0.06555 -0.00731 0.01149 0.00980 0.12159 23 3S 0.26586 -0.09952 1.13177 0.04210 -0.18004 24 3PX -0.22472 0.02606 0.66733 0.05634 -0.20024 25 3PY -0.19490 0.06712 0.38396 0.10009 0.63577 26 3PZ 0.10396 0.06239 -0.50908 -0.02542 0.04732 27 4XX -0.12831 0.14805 0.00817 0.03388 -0.12280 28 4YY 0.11298 -0.01440 -0.03376 0.01052 -0.02796 29 4ZZ 0.01134 -0.12286 0.03376 -0.04959 0.12202 30 4XY 0.17838 -0.02837 0.00095 0.04843 -0.03969 31 4XZ 0.24498 0.06713 -0.00853 -0.07538 -0.15132 32 4YZ -0.15477 -0.09346 -0.02044 -0.01942 0.03894 33 4 H 1S -0.12214 -0.01109 0.06436 -0.05142 0.03435 34 2S -0.07430 0.01951 0.17783 0.04101 0.06404 35 5 C 1S -0.00535 0.00065 0.02428 -0.00115 -0.00542 36 2S 0.02528 0.04842 0.50158 -0.10478 -0.14307 37 2PX -0.25013 0.00686 0.02955 -0.04576 0.06765 38 2PY 0.07533 0.02141 0.17209 -0.02363 0.02470 39 2PZ 0.12586 -0.00886 -0.01625 -0.02874 -0.04255 40 3S -0.18182 -0.09426 -0.03535 0.55976 1.32609 41 3PX 0.87224 -0.15610 -0.29325 0.04740 -0.67539 42 3PY 0.39747 -0.09249 -2.49952 -0.46929 -0.43621 43 3PZ -0.49720 0.10175 0.04309 -0.07813 0.46018 44 4XX 0.02355 0.10665 -0.08495 -0.03916 0.03532 45 4YY -0.03855 0.00633 0.08507 0.04033 -0.02315 46 4ZZ 0.04906 -0.11069 -0.03983 -0.00872 -0.02174 47 4XY 0.18096 -0.00492 -0.04965 0.02899 -0.13776 48 4XZ 0.13752 0.07572 0.13196 -0.07440 -0.12649 49 4YZ -0.21344 -0.00294 0.08508 -0.02558 0.12414 50 6 C 1S -0.00102 -0.00541 0.01066 0.00257 -0.00783 51 2S -0.16403 -0.05888 0.36163 -0.02754 0.06957 52 2PX 0.12932 0.01366 -0.11809 0.04066 -0.13369 53 2PY 0.17924 -0.00296 0.06411 0.01329 0.02446 54 2PZ -0.04990 0.00529 0.09930 -0.00617 0.01912 55 3S -0.17318 0.28258 0.09138 -0.12325 0.42157 56 3PX 0.08211 -0.09215 -0.42522 -0.12429 0.36435 57 3PY -0.18380 -0.09836 -0.19107 0.14433 0.06888 58 3PZ 0.00063 -0.01348 0.10224 0.13534 -0.15817 59 4XX 0.09229 0.09334 -0.04007 -0.11214 -0.15764 60 4YY -0.11270 0.03891 0.02978 0.05633 0.04843 61 4ZZ 0.03127 -0.15256 0.05395 0.01689 0.10147 62 4XY 0.01122 0.02416 0.00173 0.01713 0.03065 63 4XZ -0.08044 0.04900 0.05506 -0.03660 0.03443 64 4YZ -0.12790 0.08129 0.02282 -0.12754 -0.06268 65 7 H 1S -0.00261 -0.02906 0.04978 0.11533 -0.05094 66 2S -0.08276 -0.02180 -0.01788 0.06151 -0.10728 67 8 C 1S -0.00102 -0.00542 -0.01065 0.00257 0.00784 68 2S -0.16403 -0.05904 -0.36160 -0.02750 -0.06955 69 2PX 0.12931 0.01371 0.11809 0.04066 0.13369 70 2PY -0.17925 0.00298 0.06410 -0.01329 0.02445 71 2PZ -0.04990 0.00525 -0.09931 -0.00616 -0.01911 72 3S -0.17339 0.28256 -0.09154 -0.12329 -0.42168 73 3PX 0.08227 -0.09195 0.42525 -0.12435 -0.36435 74 3PY 0.18393 0.09832 -0.19113 -0.14429 0.06884 75 3PZ 0.00051 -0.01353 -0.10223 0.13535 0.15817 76 4XX 0.09228 0.09336 0.04003 -0.11214 0.15763 77 4YY -0.11270 0.03890 -0.02979 0.05634 -0.04844 78 4ZZ 0.03127 -0.15258 -0.05390 0.01689 -0.10145 79 4XY -0.01122 -0.02415 0.00174 -0.01713 0.03063 80 4XZ -0.08043 0.04899 -0.05508 -0.03659 -0.03443 81 4YZ 0.12791 -0.08128 0.02287 0.12753 -0.06265 82 9 H 1S -0.00264 -0.02909 -0.04975 0.11533 0.05097 83 2S -0.08281 -0.02180 0.01790 0.06153 0.10729 84 10 C 1S -0.00536 0.00064 -0.02428 -0.00114 0.00542 85 2S 0.02520 0.04820 -0.50161 -0.10475 0.14306 86 2PX -0.25014 0.00685 -0.02956 -0.04576 -0.06766 87 2PY -0.07532 -0.02134 0.17210 0.02362 0.02471 88 2PZ 0.12586 -0.00886 0.01625 -0.02874 0.04255 89 3S -0.18128 -0.09419 0.03542 0.55972 -1.32607 90 3PX 0.87220 -0.15602 0.29328 0.04739 0.67542 91 3PY -0.39775 0.09140 -2.49958 0.46939 -0.43624 92 3PZ -0.49711 0.10177 -0.04316 -0.07812 -0.46023 93 4XX 0.02356 0.10669 0.08490 -0.03917 -0.03532 94 4YY -0.03854 0.00630 -0.08507 0.04034 0.02316 95 4ZZ 0.04905 -0.11067 0.03988 -0.00872 0.02174 96 4XY -0.18095 0.00490 -0.04967 -0.02898 -0.13775 97 4XZ 0.13754 0.07566 -0.13199 -0.07439 0.12648 98 4YZ 0.21342 0.00297 0.08509 0.02557 0.12415 99 11 O 1S -0.00784 0.00118 0.04915 0.01178 0.01515 100 2S -0.11620 0.03672 0.89607 0.26603 0.33473 101 2PX 0.12950 0.01529 -0.02043 0.03088 -0.06338 102 2PY 0.02141 0.00601 0.07168 0.01854 0.07655 103 2PZ -0.11210 -0.00759 0.04513 -0.01027 0.06341 104 3S 0.52884 -0.10090 -3.16221 -0.89868 -1.13163 105 3PX -0.29749 0.00069 -0.04074 -0.07989 0.15006 106 3PY 0.14033 -0.03124 -0.87463 -0.27230 -0.37088 107 3PZ 0.23106 -0.00827 -0.13792 -0.00382 -0.17296 108 4XX -0.07581 0.43581 0.02566 -0.14101 -0.27117 109 4YY -0.03688 0.02399 0.31982 0.08396 0.09129 110 4ZZ 0.04669 -0.44237 0.18842 0.19434 0.37581 111 4XY -0.09443 -0.09068 0.06848 0.02158 0.17003 112 4XZ 0.08400 0.21046 0.34283 -0.16411 -0.33551 113 4YZ 0.11232 0.04153 -0.10841 0.07650 -0.09225 114 12 O 1S -0.00784 0.00116 -0.04915 0.01178 -0.01515 115 2S -0.11617 0.03635 -0.89608 0.26607 -0.33474 116 2PX 0.12950 0.01529 0.02043 0.03088 0.06338 117 2PY -0.02143 -0.00598 0.07168 -0.01854 0.07655 118 2PZ -0.11209 -0.00761 -0.04513 -0.01026 -0.06342 119 3S 0.52883 -0.09956 3.16224 -0.89879 1.13164 120 3PX -0.29748 0.00072 0.04071 -0.07988 -0.15007 121 3PY -0.14028 0.03087 -0.87463 0.27233 -0.37088 122 3PZ 0.23103 -0.00822 0.13793 -0.00383 0.17298 123 4XX -0.07580 0.43581 -0.02585 -0.14100 0.27119 124 4YY -0.03688 0.02385 -0.31983 0.08398 -0.09130 125 4ZZ 0.04669 -0.44245 -0.18822 0.19435 -0.37582 126 4XY 0.09444 0.09069 0.06843 -0.02158 0.17001 127 4XZ 0.08401 0.21031 -0.34293 -0.16408 0.33551 128 4YZ -0.11232 -0.04158 -0.10839 -0.07649 -0.09227 129 13 C 1S 0.01543 0.00389 -0.01523 0.01249 0.00473 130 2S 0.26193 -0.00761 -0.09677 -0.00847 -0.08195 131 2PX -0.05164 -0.02631 -0.00310 0.01183 0.01634 132 2PY -0.03936 -0.02603 0.01117 -0.02804 -0.05662 133 2PZ -0.03017 -0.01384 0.04089 0.01765 -0.01765 134 3S -0.82640 -0.45897 0.52202 -0.78146 0.25251 135 3PX 0.32027 -0.10928 0.10792 -0.27546 0.13267 136 3PY 0.18829 -0.31017 0.31021 -0.36944 0.23722 137 3PZ -0.06402 0.00207 -0.19467 -0.16438 -0.06542 138 4XX -0.02377 -0.00724 0.04969 0.05797 -0.00455 139 4YY -0.04133 0.03482 -0.01928 -0.01675 0.03281 140 4ZZ 0.06219 -0.05904 -0.01492 -0.04095 -0.02650 141 4XY -0.00402 -0.14050 -0.06435 -0.36596 -0.04623 142 4XZ -0.00373 -0.14591 0.07060 -0.13137 -0.02402 143 4YZ -0.03157 -0.03703 -0.15213 -0.02910 0.09956 144 14 C 1S -0.00058 -0.00503 0.00205 0.00291 0.00556 145 2S -0.03727 -0.12722 -0.06251 -0.18994 0.17195 146 2PX 0.02781 -0.00331 0.02805 -0.04204 -0.03871 147 2PY 0.03146 -0.05861 -0.01545 -0.10874 0.01600 148 2PZ 0.00584 0.01576 0.01028 0.10136 0.01803 149 3S 0.07546 0.23994 -0.34926 0.22449 -0.70693 150 3PX -0.03661 -0.17305 0.16279 -0.23383 0.24156 151 3PY -0.10597 0.14380 -0.12925 0.28134 -0.15228 152 3PZ -0.05117 0.13284 -0.23668 0.15096 -0.13076 153 4XX 0.06108 -0.04355 -0.00877 -0.04705 -0.00201 154 4YY -0.04393 0.08235 -0.01253 0.18550 0.02187 155 4ZZ -0.00872 -0.07944 0.02841 -0.15771 -0.01479 156 4XY -0.00172 0.05479 -0.02494 0.14262 0.01960 157 4XZ 0.02811 -0.05216 0.02450 0.11562 0.00971 158 4YZ -0.01123 -0.09792 -0.01292 -0.21386 -0.00875 159 15 C 1S -0.00058 -0.00503 -0.00205 0.00291 -0.00556 160 2S -0.03726 -0.12720 0.06255 -0.18996 -0.17193 161 2PX 0.02781 -0.00333 -0.02805 -0.04203 0.03870 162 2PY -0.03146 0.05860 -0.01547 0.10874 0.01599 163 2PZ 0.00584 0.01575 -0.01028 0.10136 -0.01802 164 3S 0.07545 0.24013 0.34918 0.22452 0.70692 165 3PX -0.03662 -0.17313 -0.16273 -0.23384 -0.24154 166 3PY 0.10597 -0.14385 -0.12920 -0.28136 -0.15226 167 3PZ -0.05116 0.13295 0.23663 0.15097 0.13075 168 4XX 0.06108 -0.04355 0.00879 -0.04705 0.00200 169 4YY -0.04393 0.08235 0.01250 0.18550 -0.02187 170 4ZZ -0.00872 -0.07945 -0.02838 -0.15771 0.01480 171 4XY 0.00172 -0.05480 -0.02493 -0.14262 0.01961 172 4XZ 0.02810 -0.05217 -0.02447 0.11563 -0.00969 173 4YZ 0.01123 0.09791 -0.01295 0.21386 -0.00876 174 16 C 1S 0.01543 0.00390 0.01523 0.01249 -0.00473 175 2S 0.26199 -0.00754 0.09678 -0.00849 0.08194 176 2PX -0.05166 -0.02631 0.00311 0.01184 -0.01633 177 2PY 0.03937 0.02603 0.01117 0.02804 -0.05662 178 2PZ -0.03017 -0.01386 -0.04088 0.01765 0.01765 179 3S -0.82655 -0.45928 -0.52191 -0.78142 -0.25247 180 3PX 0.32033 -0.10933 -0.10788 -0.27546 -0.13267 181 3PY -0.18830 0.31033 0.31010 0.36942 0.23720 182 3PZ -0.06401 0.00218 0.19464 -0.16440 0.06541 183 4XX -0.02377 -0.00726 -0.04968 0.05797 0.00455 184 4YY -0.04132 0.03484 0.01926 -0.01676 -0.03281 185 4ZZ 0.06218 -0.05904 0.01494 -0.04095 0.02651 186 4XY 0.00403 0.14047 -0.06439 0.36597 -0.04623 187 4XZ -0.00374 -0.14594 -0.07054 -0.13137 0.02404 188 4YZ 0.03158 0.03697 -0.15214 0.02911 0.09956 189 17 H 1S 0.15169 -0.00268 0.04233 0.06607 0.03189 190 2S 0.22091 -0.11877 0.01244 -0.05622 0.08993 191 18 H 1S -0.01550 0.09781 -0.03569 0.30964 0.02758 192 2S -0.04042 0.05264 -0.09490 0.04621 -0.03800 193 19 H 1S -0.01550 0.09782 0.03566 0.30964 -0.02758 194 2S -0.04041 0.05268 0.09488 0.04621 0.03799 195 20 H 1S 0.15169 -0.00270 -0.04232 0.06607 -0.03188 196 2S 0.22094 -0.11878 -0.01238 -0.05622 -0.08993 197 21 C 1S -0.02085 -0.00776 0.00000 -0.01070 0.00000 198 2S -0.26803 -0.33434 0.00005 -0.52763 0.00000 199 2PX 0.02015 0.00992 0.00000 -0.08369 0.00000 200 2PY 0.00000 0.00000 -0.03376 0.00000 0.08494 201 2PZ -0.00795 0.05287 -0.00001 0.09109 0.00000 202 3S 0.87895 0.94744 -0.00013 1.42941 0.00000 203 3PX -0.13725 0.30314 -0.00003 1.05757 -0.00001 204 3PY 0.00003 0.00001 0.01453 -0.00001 -0.09906 205 3PZ -0.13120 -0.22205 0.00004 -0.19495 0.00001 206 4XX 0.03298 -0.11172 0.00002 -0.20664 0.00000 207 4YY 0.08932 0.03580 -0.00001 0.02321 0.00000 208 4ZZ -0.11499 0.08458 -0.00002 0.19142 0.00000 209 4XY -0.00001 0.00003 0.14180 0.00000 -0.06371 210 4XZ 0.09662 -0.02571 0.00001 -0.02343 0.00000 211 4YZ -0.00001 -0.00002 -0.12177 0.00000 0.13077 212 22 H 1S -0.13286 0.12951 -0.00002 0.28064 0.00000 213 2S -0.02403 -0.09788 0.00002 0.14296 -0.00001 214 23 H 1S -0.06570 -0.09292 0.00001 -0.26384 0.00000 215 2S -0.03923 -0.10745 0.00001 -0.34228 0.00000 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 0.00106 0.01244 -0.00355 -0.00195 -0.01854 2 2S 0.11803 -0.12424 -0.06851 0.06447 -0.01870 3 2PX 0.01723 -0.14859 0.01119 0.02944 0.05333 4 2PY 0.01772 -0.06170 0.00503 0.00493 -0.06262 5 2PZ 0.01590 0.06648 -0.00008 0.01145 -0.04245 6 3S -0.38442 -0.13378 -0.18114 -0.22552 2.40522 7 3PX -0.21693 -0.11325 0.20174 0.10225 1.06249 8 3PY -0.12916 -0.58987 0.57737 -0.21321 -0.87840 9 3PZ -0.02558 0.25439 -0.18332 0.04571 -0.75222 10 4XX -0.27394 0.14958 -0.04020 0.21724 -0.02447 11 4YY -0.00890 -0.03344 -0.00755 -0.05748 0.06107 12 4ZZ 0.28244 -0.14413 0.07161 -0.15017 -0.02662 13 4XY -0.15763 0.08007 -0.01889 0.02608 0.00947 14 4XZ -0.05032 -0.12872 0.06389 -0.00811 0.11255 15 4YZ 0.00146 0.00010 0.00682 0.10818 -0.01372 16 2 H 1S -0.05914 -0.02714 0.00361 -0.02674 0.21226 17 2S 0.01292 0.02674 -0.02033 0.06334 0.36424 18 3 C 1S 0.00106 -0.01244 0.00355 -0.00195 0.01853 19 2S 0.11804 0.12421 0.06849 0.06448 0.01870 20 2PX 0.01725 0.14859 -0.01119 0.02943 -0.05343 21 2PY -0.01772 -0.06171 0.00503 -0.00495 -0.06255 22 2PZ 0.01590 -0.06648 0.00008 0.01146 0.04250 23 3S -0.38433 0.13383 0.18113 -0.22624 -2.40462 24 3PX -0.21690 0.11329 -0.20170 0.10190 -1.06280 25 3PY 0.12917 -0.58986 0.57740 0.21299 -0.87916 26 3PZ -0.02564 -0.25440 0.18330 0.04596 0.75238 27 4XX -0.27397 -0.14954 0.04017 0.21726 0.02449 28 4YY -0.00890 0.03343 0.00756 -0.05750 -0.06107 29 4ZZ 0.28247 0.14409 -0.07160 -0.15017 0.02661 30 4XY 0.15765 0.08003 -0.01890 -0.02609 0.00971 31 4XZ -0.05031 0.12874 -0.06388 -0.00816 -0.11272 32 4YZ -0.00145 0.00011 0.00685 -0.10819 -0.01384 33 4 H 1S -0.05912 0.02717 -0.00357 -0.02681 -0.21271 34 2S 0.01293 -0.02673 0.02033 0.06323 -0.36443 35 5 C 1S -0.00256 0.00382 -0.01502 0.00886 -0.00607 36 2S 0.22601 0.03803 -0.35016 0.25586 -0.07303 37 2PX 0.07967 -0.09556 -0.05233 0.03257 0.06182 38 2PY 0.06709 0.00480 -0.06764 0.03078 -0.11017 39 2PZ 0.03306 0.03531 -0.02437 -0.05473 -0.03862 40 3S -0.69484 -0.52562 1.81111 -0.74200 -0.81479 41 3PX -0.35572 1.06150 0.03733 -0.96551 -0.92304 42 3PY 0.17002 0.49371 -0.78011 -0.62329 2.28958 43 3PZ 0.61471 -0.50179 -0.06620 0.10425 0.91525 44 4XX -0.03693 0.07042 0.00609 -0.13391 -0.02861 45 4YY -0.00016 -0.02809 0.07935 0.11407 0.02785 46 4ZZ 0.03730 -0.02420 -0.07942 -0.00912 0.05396 47 4XY 0.07644 0.21834 0.04126 -0.10698 -0.19841 48 4XZ 0.13053 0.14589 -0.15982 0.07227 0.15740 49 4YZ 0.13242 -0.14445 0.01306 -0.07979 0.13010 50 6 C 1S -0.02122 0.00640 0.00907 -0.03774 -0.02526 51 2S -0.21104 -0.11873 0.14793 -0.38417 0.05764 52 2PX -0.02370 0.09665 0.11647 -0.10654 -0.03403 53 2PY 0.00089 0.05782 0.00199 0.00138 -0.13661 54 2PZ -0.05070 -0.07080 -0.03386 -0.02056 0.07887 55 3S 1.06562 -0.79537 -0.15421 1.68368 -0.21135 56 3PX -0.06054 0.25253 -0.22983 0.02049 -0.18112 57 3PY -0.49047 -0.28085 0.69067 -0.43445 -0.99967 58 3PZ -0.10565 -0.35392 0.24468 0.45868 -0.14207 59 4XX 0.12534 -0.03925 -0.03035 -0.09722 -0.08240 60 4YY -0.00311 -0.03254 -0.00613 -0.13454 -0.00729 61 4ZZ -0.10493 0.06043 0.00601 0.26632 0.07129 62 4XY -0.07399 -0.02521 0.02289 -0.06191 -0.11177 63 4XZ 0.02189 -0.15071 -0.12565 0.03647 0.09030 64 4YZ 0.28105 -0.07282 0.02889 -0.08152 0.01031 65 7 H 1S -0.31241 -0.11841 0.11596 -0.14410 -0.11728 66 2S -0.15850 -0.18467 0.23584 -0.13505 -0.07943 67 8 C 1S -0.02122 -0.00640 -0.00907 -0.03773 0.02529 68 2S -0.21104 0.11875 -0.14790 -0.38420 -0.05721 69 2PX -0.02371 -0.09664 -0.11646 -0.10654 0.03401 70 2PY -0.00087 0.05783 0.00200 -0.00143 -0.13659 71 2PZ -0.05069 0.07080 0.03386 -0.02058 -0.07880 72 3S 1.06571 0.79526 0.15410 1.68374 0.20978 73 3PX -0.06054 -0.25255 0.22981 0.02060 0.18143 74 3PY 0.49046 -0.28093 0.69062 0.43422 -0.99992 75 3PZ -0.10559 0.35395 -0.24470 0.45869 0.14159 76 4XX 0.12536 0.03924 0.03038 -0.09719 0.08230 77 4YY -0.00311 0.03254 0.00614 -0.13453 0.00743 78 4ZZ -0.10495 -0.06041 -0.00605 0.26629 -0.07137 79 4XY 0.07398 -0.02522 0.02289 0.06187 -0.11183 80 4XZ 0.02192 0.15070 0.12563 0.03646 -0.09016 81 4YZ -0.28107 -0.07278 0.02888 0.08153 0.01029 82 9 H 1S -0.31239 0.11846 -0.11595 -0.14407 0.11741 83 2S -0.15847 0.18470 -0.23582 -0.13506 0.07942 84 10 C 1S -0.00256 -0.00382 0.01502 0.00886 0.00605 85 2S 0.22602 -0.03806 0.35013 0.25591 0.07301 86 2PX 0.07968 0.09555 0.05233 0.03256 -0.06185 87 2PY -0.06709 0.00481 -0.06764 -0.03082 -0.11018 88 2PZ 0.03306 -0.03531 0.02437 -0.05471 0.03869 89 3S -0.69490 0.52573 -1.81098 -0.74189 0.81460 90 3PX -0.35585 -1.06146 -0.03729 -0.96520 0.92400 91 3PY -0.17009 0.49386 -0.78005 0.62396 2.28806 92 3PZ 0.61476 0.50171 0.06621 0.10397 -0.91564 93 4XX -0.03695 -0.07040 -0.00607 -0.13389 0.02862 94 4YY -0.00016 0.02808 -0.07936 0.11404 -0.02789 95 4ZZ 0.03732 0.02420 0.07941 -0.00913 -0.05392 96 4XY -0.07641 0.21835 0.04125 0.10693 -0.19840 97 4XZ 0.13052 -0.14592 0.15981 0.07224 -0.15734 98 4YZ -0.13244 -0.14443 0.01305 0.07983 0.13008 99 11 O 1S -0.00728 -0.01091 0.02339 0.00906 -0.03878 100 2S -0.13035 -0.16503 0.39471 0.10219 -0.77044 101 2PX 0.04307 0.13189 0.01451 -0.06968 -0.10875 102 2PY -0.03741 -0.01046 -0.00296 -0.04561 -0.09481 103 2PZ 0.06427 -0.07015 -0.00563 -0.06098 0.08114 104 3S 0.49754 0.72882 -1.61127 -0.48668 2.84792 105 3PX 0.00217 -0.31113 -0.08557 0.20914 0.37383 106 3PY 0.17066 0.21074 -0.47575 -0.10639 0.77511 107 3PZ -0.15432 0.18278 -0.02115 0.06100 -0.17768 108 4XX -0.16788 -0.42938 0.17534 -0.05893 -0.17020 109 4YY 0.01937 -0.03551 0.10733 0.02242 -0.25782 110 4ZZ 0.06206 0.36281 -0.06711 0.08739 0.00129 111 4XY -0.10303 -0.13445 0.02761 0.14036 0.12258 112 4XZ -0.01793 0.00946 -0.31392 0.04549 0.08419 113 4YZ -0.19037 0.07653 0.08362 0.14960 -0.13214 114 12 O 1S -0.00728 0.01091 -0.02339 0.00907 0.03875 115 2S -0.13039 0.16508 -0.39469 0.10240 0.76997 116 2PX 0.04305 -0.13189 -0.01450 -0.06965 0.10875 117 2PY 0.03742 -0.01047 -0.00296 0.04557 -0.09479 118 2PZ 0.06427 0.07014 0.00564 -0.06100 -0.08112 119 3S 0.49767 -0.72899 1.61116 -0.48744 -2.84610 120 3PX 0.00221 0.31113 0.08553 0.20903 -0.37385 121 3PY -0.17069 0.21078 -0.47572 0.10659 0.77464 122 3PZ -0.15433 -0.18276 0.02114 0.06106 0.17774 123 4XX -0.16778 0.42940 -0.17533 -0.05890 0.17016 124 4YY 0.01935 0.03552 -0.10732 0.02250 0.25768 125 4ZZ 0.06196 -0.36282 0.06710 0.08740 -0.00136 126 4XY 0.10303 -0.13448 0.02762 -0.14031 0.12266 127 4XZ -0.01789 -0.00945 0.31391 0.04549 -0.08417 128 4YZ 0.19038 0.07650 0.08362 -0.14964 -0.13209 129 13 C 1S 0.00337 -0.00387 -0.00940 0.02909 0.00481 130 2S -0.00641 0.18107 0.26652 0.32467 0.38852 131 2PX -0.07912 -0.04206 -0.09939 -0.08146 -0.06304 132 2PY -0.05160 0.01255 0.12694 -0.04243 0.16579 133 2PZ 0.02767 0.02560 0.13275 0.00259 0.05905 134 3S -0.34009 -0.39382 -0.49871 -1.64351 -1.40310 135 3PX -0.01051 0.08615 0.06681 -0.11441 -0.42239 136 3PY -0.15472 0.03451 -0.69433 -0.97331 -1.09491 137 3PZ 0.19834 -0.01661 -0.21605 0.45110 0.30048 138 4XX -0.04233 0.00431 0.04036 -0.10268 0.01804 139 4YY 0.06517 -0.00958 -0.02332 0.14426 -0.12001 140 4ZZ -0.07819 -0.02231 -0.02511 -0.10705 0.06540 141 4XY 0.00780 0.03151 0.06352 0.14944 0.17925 142 4XZ -0.21043 0.01017 0.13961 -0.19276 -0.02104 143 4YZ -0.00852 -0.11018 -0.30041 -0.10082 -0.09799 144 14 C 1S -0.01199 0.00074 -0.00200 -0.01691 -0.00887 145 2S -0.13178 -0.12299 -0.26514 -0.03774 -0.36077 146 2PX 0.02175 0.04396 0.05478 -0.01068 0.07179 147 2PY -0.05269 -0.04064 -0.11067 0.00847 -0.06648 148 2PZ -0.03578 -0.02628 -0.02210 -0.00643 -0.08474 149 3S 0.29217 0.26678 1.06517 0.85535 2.21525 150 3PX -0.21684 -0.16624 -0.34473 -0.48151 -0.84708 151 3PY 0.08849 0.05885 0.61711 -0.00443 0.75802 152 3PZ 0.16248 0.07599 0.19939 0.29910 0.77351 153 4XX 0.00276 0.02549 0.05782 0.18477 -0.00765 154 4YY 0.05018 -0.03387 -0.07122 -0.13592 -0.08004 155 4ZZ -0.12420 0.00889 0.03018 -0.08522 0.07930 156 4XY 0.07211 -0.03666 -0.11123 0.02922 -0.01767 157 4XZ -0.18043 -0.00701 -0.01926 -0.21252 -0.07585 158 4YZ -0.07838 0.00218 0.01050 -0.03505 0.02298 159 15 C 1S -0.01199 -0.00074 0.00200 -0.01691 0.00888 160 2S -0.13178 0.12302 0.26515 -0.03758 0.36079 161 2PX 0.02174 -0.04396 -0.05478 -0.01071 -0.07176 162 2PY 0.05269 -0.04065 -0.11067 -0.00851 -0.06646 163 2PZ -0.03578 0.02629 0.02210 -0.00639 0.08472 164 3S 0.29226 -0.26684 -1.06527 0.85450 -2.21568 165 3PX -0.21686 0.16629 0.34478 -0.48118 0.84732 166 3PY -0.08851 0.05887 0.61711 0.00476 0.75799 167 3PZ 0.16251 -0.07602 -0.19943 0.29883 -0.77362 168 4XX 0.00275 -0.02549 -0.05784 0.18476 0.00754 169 4YY 0.05018 0.03385 0.07122 -0.13588 0.08012 170 4ZZ -0.12419 -0.00886 -0.03017 -0.08524 -0.07926 171 4XY -0.07212 -0.03665 -0.11123 -0.02923 -0.01762 172 4XZ -0.18043 0.00704 0.01928 -0.21250 0.07593 173 4YZ 0.07838 0.00217 0.01050 0.03506 0.02293 174 16 C 1S 0.00338 0.00387 0.00940 0.02909 -0.00483 175 2S -0.00640 -0.18106 -0.26656 0.32452 -0.38877 176 2PX -0.07911 0.04207 0.09939 -0.08142 0.06314 177 2PY 0.05159 0.01254 0.12694 0.04250 0.16576 178 2PZ 0.02767 -0.02561 -0.13274 0.00255 -0.05906 179 3S -0.34016 0.39390 0.49889 -1.64301 1.40412 180 3PX -0.01055 -0.08614 -0.06677 -0.11430 0.42229 181 3PY 0.15481 0.03449 -0.69444 0.97288 -1.09535 182 3PZ 0.19837 0.01658 0.21599 0.45103 -0.30066 183 4XX -0.04232 -0.00430 -0.04035 -0.10268 -0.01796 184 4YY 0.06517 0.00957 0.02329 0.14430 0.11996 185 4ZZ -0.07819 0.02232 0.02513 -0.10707 -0.06538 186 4XY -0.00781 0.03151 0.06353 -0.14938 0.17934 187 4XZ -0.21043 -0.01013 -0.13959 -0.19276 0.02111 188 4YZ 0.00850 -0.11018 -0.30041 0.10075 -0.09806 189 17 H 1S -0.08126 -0.01905 -0.15809 -0.24174 -0.13478 190 2S -0.02117 0.12304 -0.17193 -0.20718 -0.22554 191 18 H 1S 0.02673 -0.02420 -0.03939 -0.04592 0.01697 192 2S 0.08666 0.04844 0.15772 0.12641 0.32532 193 19 H 1S 0.02673 0.02419 0.03939 -0.04592 -0.01698 194 2S 0.08667 -0.04846 -0.15774 0.12628 -0.32535 195 20 H 1S -0.08126 0.01906 0.15812 -0.24168 0.13483 196 2S -0.02121 -0.12305 0.17195 -0.20709 0.22562 197 21 C 1S 0.01133 0.00000 0.00000 -0.01333 0.00001 198 2S 0.07863 0.00000 0.00000 0.08346 0.00000 199 2PX -0.03345 0.00000 0.00000 0.02086 0.00000 200 2PY 0.00000 -0.07735 -0.29914 -0.00005 -0.23421 201 2PZ 0.04735 -0.00001 0.00000 -0.08355 0.00004 202 3S -0.25392 0.00001 -0.00005 0.98520 -0.00041 203 3PX 0.11116 -0.00002 -0.00004 0.31343 -0.00007 204 3PY 0.00000 -0.02426 0.01516 0.00003 0.18421 205 3PZ -0.25573 0.00003 0.00005 -0.67648 0.00011 206 4XX -0.09237 0.00001 0.00002 -0.14745 0.00001 207 4YY 0.00448 0.00000 0.00000 -0.12125 0.00004 208 4ZZ 0.07872 -0.00001 -0.00001 0.25796 -0.00006 209 4XY 0.00001 0.13027 0.16229 0.00005 0.20085 210 4XZ -0.09994 0.00001 0.00001 -0.20622 0.00005 211 4YZ 0.00000 -0.09672 -0.36566 -0.00005 -0.19407 212 22 H 1S 0.00480 0.00000 0.00000 -0.05460 0.00003 213 2S 0.27348 -0.00002 -0.00003 0.26387 0.00000 214 23 H 1S 0.10466 -0.00001 -0.00001 0.04155 0.00001 215 2S 0.02583 0.00000 0.00000 0.00629 0.00004 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 -0.00875 0.01325 0.00638 0.01460 0.01387 2 2S 0.04120 0.18680 -0.07394 0.06401 0.21481 3 2PX -0.11725 0.02475 0.03070 -0.02414 0.01549 4 2PY -0.08780 0.02025 -0.01364 -0.06208 -0.01328 5 2PZ 0.08013 -0.01233 -0.01646 -0.00263 -0.00147 6 3S 0.67768 -0.76085 -0.05584 -0.08712 -0.83601 7 3PX -0.32174 -0.01283 -0.14288 -0.22342 -0.26116 8 3PY 0.95106 -0.44087 0.25571 0.39204 -0.16416 9 3PZ 0.24077 0.01610 0.09557 0.14378 0.23921 10 4XX 0.15467 -0.00657 -0.11201 -0.02795 -0.00408 11 4YY -0.05472 -0.06920 0.12923 0.00186 -0.00456 12 4ZZ -0.06992 0.08962 -0.03118 0.05963 -0.00341 13 4XY -0.31409 0.03141 0.17975 0.03784 -0.03560 14 4XZ -0.24438 0.17490 0.13393 0.13460 0.21951 15 4YZ 0.21686 -0.01569 -0.13117 -0.06136 0.05102 16 2 H 1S -0.61592 0.20854 0.15949 0.02710 0.07700 17 2S -0.21407 0.14106 -0.14118 -0.11769 -0.02206 18 3 C 1S -0.00876 0.01325 0.00638 0.01460 0.01386 19 2S 0.04121 0.18680 -0.07393 0.06403 0.21467 20 2PX -0.11721 0.02474 0.03070 -0.02413 0.01550 21 2PY 0.08784 -0.02026 0.01365 0.06209 0.01320 22 2PZ 0.08010 -0.01232 -0.01646 -0.00263 -0.00148 23 3S 0.67928 -0.76113 -0.05590 -0.08726 -0.83468 24 3PX -0.32106 -0.01294 -0.14292 -0.22346 -0.26083 25 3PY -0.95048 0.44077 -0.25573 -0.39211 0.16482 26 3PZ 0.24027 0.01619 0.09558 0.14379 0.23904 27 4XX 0.15467 -0.00657 -0.11202 -0.02796 -0.00399 28 4YY -0.05469 -0.06921 0.12924 0.00187 -0.00458 29 4ZZ -0.06994 0.08963 -0.03118 0.05963 -0.00346 30 4XY 0.31407 -0.03141 -0.17975 -0.03785 0.03568 31 4XZ -0.24430 0.17489 0.13393 0.13461 0.21942 32 4YZ -0.21684 0.01568 0.13117 0.06136 -0.05104 33 4 H 1S -0.61578 0.20852 0.15949 0.02711 0.07692 34 2S -0.21383 0.14102 -0.14118 -0.11770 -0.02194 35 5 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 36 2S 0.06291 -0.11570 0.01134 -0.18256 0.21504 37 2PX -0.03348 0.01129 0.05512 -0.00332 0.12674 38 2PY 0.01621 0.01564 -0.01070 -0.01973 0.13999 39 2PZ 0.08173 -0.00969 -0.01602 0.01377 -0.03462 40 3S -0.44545 0.86662 -1.29690 0.07585 -0.31911 41 3PX 0.78959 -0.24856 -0.12362 0.59466 -0.65603 42 3PY 1.70468 -0.23171 1.47723 1.49932 0.85172 43 3PZ -0.50537 0.13951 0.12348 -0.16044 0.30583 44 4XX -0.03052 0.02245 0.10968 0.16164 -0.00868 45 4YY -0.00714 -0.02278 -0.21041 -0.21012 -0.10546 46 4ZZ 0.05061 0.06833 0.16197 0.15339 0.13941 47 4XY -0.07211 0.00343 -0.03715 -0.03114 -0.07031 48 4XZ 0.10857 0.04360 -0.01436 0.01748 0.07259 49 4YZ -0.00321 -0.02096 -0.04737 -0.01800 -0.03610 50 6 C 1S 0.02433 0.00933 0.00692 0.03490 -0.01831 51 2S 0.47156 0.18976 -0.15557 0.44595 -0.11415 52 2PX -0.07551 -0.01015 -0.02076 0.05475 -0.00710 53 2PY -0.00398 0.08138 0.07668 0.00969 -0.10528 54 2PZ 0.09715 -0.01024 -0.02591 0.03817 -0.01544 55 3S -1.49404 -0.22682 0.30042 -1.57763 0.64758 56 3PX 0.48953 0.07404 0.18729 0.15318 0.30831 57 3PY 0.15840 -0.00002 -0.46429 0.25997 -0.30393 58 3PZ -0.44551 0.05944 0.00366 -0.28384 -0.20961 59 4XX -0.13973 0.15508 0.00569 -0.08237 -0.27942 60 4YY 0.06845 -0.22622 0.00630 0.04372 0.18686 61 4ZZ 0.04493 0.13658 0.05057 0.01858 0.03901 62 4XY 0.02814 -0.09155 0.10228 0.09513 -0.15727 63 4XZ 0.23037 0.13401 0.21280 0.21072 -0.05738 64 4YZ -0.04345 -0.02412 -0.11337 -0.07245 0.26288 65 7 H 1S 0.14651 0.03204 0.06184 0.24197 -0.36798 66 2S -0.06235 0.08099 -0.10559 0.12330 -0.15554 67 8 C 1S 0.02432 0.00933 0.00692 0.03490 -0.01828 68 2S 0.47159 0.18975 -0.15559 0.44592 -0.11379 69 2PX -0.07555 -0.01014 -0.02076 0.05474 -0.00708 70 2PY 0.00408 -0.08140 -0.07668 -0.00968 0.10523 71 2PZ 0.09721 -0.01025 -0.02591 0.03817 -0.01541 72 3S -1.49408 -0.22680 0.30054 -1.57737 0.64546 73 3PX 0.48936 0.07405 0.18727 0.15306 0.30881 74 3PY -0.15769 -0.00011 0.46430 -0.26003 0.30449 75 3PZ -0.44559 0.05946 0.00369 -0.28378 -0.21009 76 4XX -0.13979 0.15509 0.00569 -0.08236 -0.27950 77 4YY 0.06844 -0.22622 0.00631 0.04372 0.18687 78 4ZZ 0.04498 0.13657 0.05057 0.01857 0.03905 79 4XY -0.02806 0.09152 -0.10227 -0.09511 0.15715 80 4XZ 0.23044 0.13400 0.21280 0.21072 -0.05728 81 4YZ 0.04343 0.02412 0.11336 0.07244 -0.26288 82 9 H 1S 0.14643 0.03206 0.06184 0.24196 -0.36790 83 2S -0.06241 0.08101 -0.10559 0.12332 -0.15565 84 10 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 85 2S 0.06289 -0.11569 0.01136 -0.18254 0.21491 86 2PX -0.03343 0.01128 0.05512 -0.00332 0.12675 87 2PY -0.01613 -0.01565 0.01070 0.01974 -0.14007 88 2PZ 0.08171 -0.00969 -0.01602 0.01377 -0.03461 89 3S -0.44619 0.86673 -1.29703 0.07568 -0.31834 90 3PX 0.78882 -0.24843 -0.12370 0.59454 -0.65575 91 3PY -1.70628 0.23200 -1.47720 -1.49926 -0.85279 92 3PZ -0.50470 0.13940 0.12349 -0.16040 0.30577 93 4XX -0.03055 0.02245 0.10968 0.16162 -0.00856 94 4YY -0.00713 -0.02279 -0.21041 -0.21009 -0.10571 95 4ZZ 0.05065 0.06832 0.16197 0.15337 0.13959 96 4XY 0.07226 -0.00345 0.03714 0.03113 0.07033 97 4XZ 0.10868 0.04358 -0.01435 0.01748 0.07260 98 4YZ 0.00311 0.02097 0.04737 0.01799 0.03614 99 11 O 1S -0.02977 0.01252 -0.03347 -0.02280 -0.01665 100 2S -0.56610 0.10292 -0.45310 -0.40084 -0.23927 101 2PX -0.03699 -0.00252 0.00380 0.01008 -0.00923 102 2PY -0.05041 0.01314 0.10434 0.09228 0.05929 103 2PZ 0.00515 -0.00252 0.00876 0.02473 -0.02130 104 3S 2.13732 -0.54293 2.10042 1.69607 1.08366 105 3PX 0.03008 0.01476 0.09154 -0.02145 0.15287 106 3PY 0.58175 -0.15183 0.53731 0.41603 0.27171 107 3PZ 0.10568 -0.02164 0.03587 0.03239 0.03005 108 4XX -0.06844 0.22584 -0.14712 0.05486 0.02449 109 4YY -0.17367 0.00137 -0.17053 -0.17717 -0.08449 110 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05194 111 4XY -0.03453 0.06230 -0.00025 -0.03579 -0.00360 112 4XZ -0.02906 -0.48627 0.25449 -0.13418 -0.10425 113 4YZ 0.00440 0.02170 -0.04287 -0.01977 0.09504 114 12 O 1S -0.02980 0.01252 -0.03347 -0.02280 -0.01666 115 2S -0.56665 0.10302 -0.45311 -0.40086 -0.23929 116 2PX -0.03707 -0.00251 0.00380 0.01007 -0.00921 117 2PY 0.05048 -0.01315 -0.10433 -0.09225 -0.05947 118 2PZ 0.00521 -0.00253 0.00876 0.02473 -0.02128 119 3S 2.13937 -0.54329 2.10045 1.69608 1.08429 120 3PX 0.03035 0.01471 0.09153 -0.02144 0.15283 121 3PY -0.58231 0.15192 -0.53732 -0.41605 -0.27178 122 3PZ 0.10555 -0.02162 0.03587 0.03238 0.03007 123 4XX -0.06857 0.22586 -0.14712 0.05485 0.02455 124 4YY -0.17386 0.00141 -0.17053 -0.17718 -0.08452 125 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05196 126 4XY 0.03443 -0.06230 0.00025 0.03578 0.00361 127 4XZ -0.02899 -0.48629 0.25450 -0.13418 -0.10426 128 4YZ -0.00429 -0.02170 0.04287 0.01978 -0.09503 129 13 C 1S -0.01530 0.00033 0.00419 -0.01647 0.01428 130 2S -0.16885 0.07906 0.07454 -0.44109 0.35250 131 2PX 0.10256 0.01043 0.10048 -0.15543 0.12806 132 2PY 0.00719 -0.01620 0.00250 -0.04039 0.08590 133 2PZ -0.03933 -0.07777 -0.11059 0.19700 -0.06192 134 3S 0.59418 -0.11666 -0.33387 0.98690 -1.18246 135 3PX -0.17786 0.09056 -0.30438 0.06389 -0.34706 136 3PY 0.15309 0.05306 -0.20629 0.20917 -0.81901 137 3PZ -0.04779 0.09794 0.40448 -0.33457 0.12535 138 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02104 139 4YY 0.01019 0.05104 0.11817 -0.11833 0.04097 140 4ZZ -0.02309 0.03271 0.01307 -0.03770 -0.05329 141 4XY -0.05353 -0.03283 -0.04735 0.07132 -0.02387 142 4XZ -0.00288 -0.06253 -0.06267 -0.04845 0.19940 143 4YZ 0.06850 0.11264 0.15286 -0.12295 -0.01402 144 14 C 1S 0.00557 -0.00391 -0.00504 0.00451 0.00861 145 2S 0.00232 -0.06444 -0.04488 -0.05813 0.29016 146 2PX 0.04058 0.03119 -0.02274 0.03135 -0.15705 147 2PY -0.02517 -0.05970 -0.10958 0.08729 -0.04190 148 2PZ -0.04828 -0.03123 0.00636 0.01192 0.08823 149 3S -0.17916 0.03732 0.36197 -0.40250 0.21102 150 3PX 0.12670 -0.01077 -0.11076 -0.05932 0.00262 151 3PY 0.03483 0.07685 0.09960 0.06868 0.03880 152 3PZ -0.01663 0.00820 0.08272 0.07145 0.02170 153 4XX -0.09274 -0.08651 -0.10184 0.16944 0.03597 154 4YY 0.05643 0.07925 0.15456 -0.16944 0.06228 155 4ZZ 0.04735 -0.00786 -0.08177 0.02770 -0.10288 156 4XY -0.09791 -0.10405 -0.10695 0.27207 -0.05293 157 4XZ 0.00302 -0.03824 0.02246 -0.03523 0.20536 158 4YZ 0.08992 0.06033 0.02743 -0.21664 0.01612 159 15 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 160 2S 0.00208 -0.06440 -0.04487 -0.05814 0.29012 161 2PX 0.04063 0.03118 -0.02274 0.03135 -0.15700 162 2PY 0.02521 0.05969 0.10958 -0.08729 0.04191 163 2PZ -0.04834 -0.03122 0.00636 0.01192 0.08820 164 3S -0.17766 0.03703 0.36199 -0.40236 0.21066 165 3PX 0.12613 -0.01066 -0.11076 -0.05936 0.00274 166 3PY -0.03532 -0.07675 -0.09959 -0.06872 -0.03880 167 3PZ -0.01610 0.00809 0.08273 0.07149 0.02168 168 4XX -0.09275 -0.08650 -0.10185 0.16943 0.03596 169 4YY 0.05638 0.07926 0.15456 -0.16944 0.06225 170 4ZZ 0.04741 -0.00788 -0.08177 0.02771 -0.10285 171 4XY 0.09791 0.10405 0.10695 -0.27206 0.05289 172 4XZ 0.00297 -0.03823 0.02246 -0.03523 0.20535 173 4YZ -0.08994 -0.06033 -0.02743 0.21664 -0.01614 174 16 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01426 175 2S -0.16860 0.07901 0.07455 -0.44106 0.35238 176 2PX 0.10253 0.01044 0.10048 -0.15543 0.12805 177 2PY -0.00730 0.01622 -0.00250 0.04038 -0.08591 178 2PZ -0.03929 -0.07778 -0.11060 0.19700 -0.06190 179 3S 0.59324 -0.11648 -0.33391 0.98680 -1.18191 180 3PX -0.17818 0.09062 -0.30440 0.06385 -0.34697 181 3PY -0.15236 -0.05322 0.20631 -0.20909 0.81872 182 3PZ -0.04757 0.09789 0.40449 -0.33455 0.12518 183 4XX 0.03806 -0.08521 -0.12046 0.13349 0.02106 184 4YY 0.01011 0.05106 0.11817 -0.11832 0.04088 185 4ZZ -0.02304 0.03270 0.01307 -0.03770 -0.05324 186 4XY 0.05341 0.03286 0.04735 -0.07132 0.02381 187 4XZ -0.00290 -0.06252 -0.06267 -0.04844 0.19937 188 4YZ -0.06845 -0.11265 -0.15287 0.12295 0.01401 189 17 H 1S -0.02722 0.02039 -0.09205 -0.05270 -0.10286 190 2S 0.03387 0.04495 -0.01252 0.03161 -0.14570 191 18 H 1S -0.08507 -0.08722 -0.04740 0.27532 0.04662 192 2S 0.03113 0.04945 0.06526 0.01443 -0.01651 193 19 H 1S -0.08505 -0.08722 -0.04740 0.27533 0.04664 194 2S 0.03135 0.04941 0.06526 0.01444 -0.01651 195 20 H 1S -0.02730 0.02041 -0.09205 -0.05271 -0.10282 196 2S 0.03372 0.04498 -0.01252 0.03159 -0.14560 197 21 C 1S 0.01261 0.01504 0.02914 -0.00850 -0.03572 198 2S 0.02032 -0.04525 0.05780 0.26326 -0.34112 199 2PX 0.01859 -0.03308 -0.10198 -0.01360 -0.02904 200 2PY 0.00007 -0.00002 0.00000 0.00001 -0.00001 201 2PZ 0.07868 0.02978 0.05806 -0.05693 0.03960 202 3S -0.61984 -0.12626 -0.50673 -0.61673 1.64889 203 3PX -0.06146 -0.15509 0.29519 -0.06163 0.70290 204 3PY -0.00007 0.00001 0.00000 0.00000 -0.00005 205 3PZ -0.02949 -0.11566 -0.27715 0.40027 -0.75067 206 4XX -0.04789 -0.11757 -0.26666 0.17558 0.00573 207 4YY 0.12152 0.21935 0.11020 -0.23323 -0.34032 208 4ZZ -0.08851 -0.12272 0.13074 0.02622 0.34861 209 4XY -0.00006 0.00002 0.00001 0.00000 -0.00006 210 4XZ 0.03319 -0.10136 -0.27279 -0.00127 -0.05823 211 4YZ 0.00006 -0.00001 0.00000 0.00000 0.00002 212 22 H 1S 0.05625 0.02978 0.12055 -0.10292 -0.11869 213 2S 0.10521 -0.01497 0.22667 0.04471 0.34869 214 23 H 1S 0.08257 0.22035 0.26670 -0.06021 -0.24540 215 2S 0.11167 -0.00026 -0.04856 -0.03133 -0.02465 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 -0.01707 -0.00398 -0.01177 0.00756 -0.00040 2 2S -0.25912 -0.11585 -0.33212 0.30599 -0.07151 3 2PX 0.01900 -0.02840 -0.12093 0.07926 -0.04230 4 2PY 0.13760 0.00927 0.14706 -0.18998 -0.03035 5 2PZ -0.01208 -0.01168 0.05745 -0.04835 0.01836 6 3S 2.12683 0.72103 -0.20400 0.02646 0.28607 7 3PX 0.47237 0.55554 0.05881 -0.15136 0.35005 8 3PY -1.05292 -0.22938 -0.52021 0.57324 -0.10242 9 3PZ -0.21357 -0.14906 -0.06626 0.02082 0.20980 10 4XX 0.17030 0.14030 -0.27522 0.16649 0.40644 11 4YY -0.04274 -0.01041 0.30829 -0.36571 0.01362 12 4ZZ -0.10125 -0.10887 -0.11377 0.29967 -0.41412 13 4XY -0.14679 0.02507 -0.16811 0.08412 -0.05369 14 4XZ -0.19026 0.10085 -0.07859 -0.12141 0.08314 15 4YZ 0.03067 -0.00057 0.03103 -0.12073 -0.12149 16 2 H 1S -0.17092 0.07751 -0.02523 -0.06259 -0.00012 17 2S 0.18263 0.13471 0.13544 -0.12203 0.04259 18 3 C 1S 0.01707 0.00398 -0.01177 0.00756 0.00040 19 2S 0.25925 0.11585 -0.33212 0.30596 0.07154 20 2PX -0.01899 0.02840 -0.12094 0.07926 0.04230 21 2PY 0.13760 0.00927 -0.14706 0.18998 -0.03033 22 2PZ 0.01208 0.01168 0.05745 -0.04834 -0.01836 23 3S -2.12730 -0.72103 -0.20396 0.02655 -0.28602 24 3PX -0.47253 -0.55555 0.05885 -0.15131 -0.35006 25 3PY -1.05278 -0.22939 0.52022 -0.57321 -0.10248 26 3PZ 0.21369 0.14907 -0.06626 0.02084 -0.20981 27 4XX -0.17031 -0.14029 -0.27520 0.16655 -0.40642 28 4YY 0.04274 0.01041 0.30828 -0.36571 -0.01366 29 4ZZ 0.10126 0.10888 -0.11378 0.29960 0.41416 30 4XY -0.14676 0.02507 0.16813 -0.08413 -0.05368 31 4XZ 0.19037 -0.10085 -0.07859 -0.12140 -0.08317 32 4YZ 0.03063 -0.00056 -0.03103 0.12075 -0.12147 33 4 H 1S 0.17096 -0.07751 -0.02523 -0.06260 0.00010 34 2S -0.18263 -0.13471 0.13544 -0.12202 -0.04260 35 5 C 1S 0.00140 -0.01892 -0.00335 0.01230 0.00253 36 2S -0.22616 -0.32287 0.04926 -0.13277 0.07093 37 2PX 0.01159 -0.05722 -0.06089 0.01129 0.05392 38 2PY 0.14485 -0.07813 0.05574 -0.21881 -0.00991 39 2PZ 0.01906 0.03178 0.07150 0.02093 0.08984 40 3S 1.40556 1.83840 0.11993 -0.54502 -0.17467 41 3PX 0.60579 0.56628 -0.48163 0.15430 0.23290 42 3PY 1.64257 0.18930 -0.21198 0.67872 0.22980 43 3PZ -0.14850 0.15648 0.42219 0.01586 0.41545 44 4XX 0.21925 0.03788 -0.13977 -0.15851 -0.09954 45 4YY -0.46193 0.15144 -0.01731 0.13235 0.00600 46 4ZZ 0.32732 -0.16359 0.14139 0.02340 0.11508 47 4XY -0.03266 0.07595 0.00529 0.03023 0.03990 48 4XZ 0.01823 -0.00588 -0.07424 0.07955 0.08080 49 4YZ -0.07569 0.04458 0.02878 0.00853 0.02093 50 6 C 1S 0.04391 0.03516 -0.00676 -0.01484 0.01323 51 2S 0.63809 0.36651 0.26791 0.13969 0.21098 52 2PX 0.04423 0.02070 -0.05815 -0.01169 0.02281 53 2PY 0.09060 -0.04985 0.09361 0.16182 -0.08491 54 2PZ 0.05336 0.02453 0.11544 0.08827 0.07701 55 3S -3.60311 -2.19719 0.37090 0.20745 -0.74852 56 3PX 0.78514 0.09710 0.04784 0.08792 -0.31537 57 3PY -0.84047 -0.29971 -0.33399 -0.46179 -0.22099 58 3PZ -0.81252 -0.89329 -0.12348 -0.11501 -0.33972 59 4XX -0.15718 0.16612 0.13320 0.25111 0.25950 60 4YY 0.02756 -0.03256 -0.22829 -0.26277 -0.06090 61 4ZZ 0.06958 -0.15465 0.08167 0.01432 -0.21282 62 4XY 0.23207 -0.07248 0.03257 0.14353 -0.03566 63 4XZ 0.18077 -0.22978 0.05470 -0.00267 0.05572 64 4YZ -0.00017 0.04073 -0.04294 -0.09411 0.14273 65 7 H 1S 0.16641 -0.05792 -0.01791 0.01044 0.05354 66 2S -0.17059 -0.09149 -0.15907 -0.19288 -0.00953 67 8 C 1S -0.04393 -0.03516 -0.00676 -0.01484 -0.01323 68 2S -0.63817 -0.36649 0.26793 0.13974 -0.21096 69 2PX -0.04424 -0.02071 -0.05815 -0.01169 -0.02281 70 2PY 0.09065 -0.04986 -0.09361 -0.16181 -0.08494 71 2PZ -0.05337 -0.02453 0.11545 0.08828 -0.07699 72 3S 3.60360 2.19717 0.37078 0.20722 0.74852 73 3PX -0.78500 -0.09709 0.04786 0.08790 0.31538 74 3PY -0.84025 -0.29968 0.33403 0.46184 -0.22096 75 3PZ 0.81244 0.89327 -0.12352 -0.11509 0.33972 76 4XX 0.15704 -0.16612 0.13320 0.25115 -0.25946 77 4YY -0.02748 0.03255 -0.22829 -0.26278 0.06086 78 4ZZ -0.06956 0.15466 0.08166 0.01429 0.21282 79 4XY 0.23215 -0.07249 -0.03258 -0.14354 -0.03566 80 4XZ -0.18082 0.22978 0.05469 -0.00266 -0.05570 81 4YZ -0.00031 0.04073 0.04294 0.09409 0.14277 82 9 H 1S -0.16663 0.05792 -0.01790 0.01045 -0.05351 83 2S 0.17050 0.09148 -0.15907 -0.19289 0.00951 84 10 C 1S -0.00141 0.01892 -0.00335 0.01230 -0.00253 85 2S 0.22629 0.32286 0.04925 -0.13276 -0.07094 86 2PX -0.01152 0.05721 -0.06089 0.01130 -0.05392 87 2PY 0.14478 -0.07812 -0.05574 0.21881 -0.00988 88 2PZ -0.01908 -0.03178 0.07150 0.02095 -0.08983 89 3S -1.40573 -1.83843 0.11998 -0.54496 0.17462 90 3PX -0.60616 -0.56628 -0.48160 0.15433 -0.23284 91 3PY 1.64227 0.18926 0.21196 -0.67876 0.22979 92 3PZ 0.14870 -0.15648 0.42220 0.01592 -0.41549 93 4XX -0.21927 -0.03788 -0.13976 -0.15852 0.09952 94 4YY 0.46190 -0.15145 -0.01731 0.13234 -0.00599 95 4ZZ -0.32726 0.16359 0.14139 0.02341 -0.11507 96 4XY -0.03260 0.07595 -0.00529 -0.03022 0.03989 97 4XZ -0.01818 0.00589 -0.07425 0.07957 -0.08080 98 4YZ -0.07567 0.04457 -0.02878 -0.00853 0.02094 99 11 O 1S -0.01697 0.01031 0.00128 -0.00319 -0.00368 100 2S 0.05772 0.08184 0.08605 -0.28024 -0.11994 101 2PX 0.04603 0.00980 -0.04111 0.01051 0.03637 102 2PY 0.33445 -0.08219 0.02037 -0.12693 -0.03511 103 2PZ 0.02051 0.02262 0.05822 -0.01137 0.07169 104 3S 0.80141 -0.53735 -0.26787 0.82741 0.39187 105 3PX -0.08049 -0.12948 0.13222 -0.03241 -0.09776 106 3PY 0.02737 -0.17513 -0.07471 0.25125 0.14228 107 3PZ 0.03741 -0.09246 -0.16849 0.02096 -0.19789 108 4XX 0.13252 0.03404 0.14014 -0.01170 0.05273 109 4YY -0.02813 0.03799 0.03116 -0.07398 0.01254 110 4ZZ -0.02854 -0.04336 -0.14367 -0.02564 -0.11594 111 4XY -0.02123 -0.02015 0.24111 -0.12668 -0.13710 112 4XZ -0.04018 -0.02959 0.03564 0.07682 -0.10286 113 4YZ -0.00272 -0.14296 -0.24176 -0.02421 -0.28560 114 12 O 1S 0.01697 -0.01031 0.00128 -0.00319 0.00368 115 2S -0.05781 -0.08186 0.08605 -0.28024 0.11992 116 2PX -0.04603 -0.00980 -0.04111 0.01052 -0.03637 117 2PY 0.33443 -0.08219 -0.02037 0.12692 -0.03510 118 2PZ -0.02052 -0.02262 0.05822 -0.01136 -0.07170 119 3S -0.80099 0.53741 -0.26786 0.82742 -0.39185 120 3PX 0.08058 0.12948 0.13221 -0.03244 0.09776 121 3PY 0.02726 -0.17515 0.07470 -0.25126 0.14227 122 3PZ -0.03740 0.09246 -0.16849 0.02093 0.19790 123 4XX -0.13251 -0.03404 0.14013 -0.01168 -0.05273 124 4YY 0.02810 -0.03800 0.03118 -0.07398 -0.01253 125 4ZZ 0.02852 0.04336 -0.14367 -0.02565 0.11593 126 4XY -0.02122 -0.02016 -0.24111 0.12669 -0.13708 127 4XZ 0.04012 0.02959 0.03565 0.07680 0.10287 128 4YZ -0.00277 -0.14296 0.24177 0.02425 -0.28560 129 13 C 1S -0.03561 -0.06186 0.01641 0.01278 -0.01191 130 2S -0.24755 -0.67217 0.24141 0.41809 -0.15638 131 2PX -0.03349 -0.04994 0.03184 0.02428 0.02933 132 2PY 0.02126 -0.03334 -0.01714 0.05901 -0.04969 133 2PZ 0.04433 0.04817 -0.05658 -0.04651 -0.02012 134 3S 1.05147 2.76228 -1.16109 -1.37637 0.70296 135 3PX 0.20070 0.73210 -0.08941 -0.03272 -0.06046 136 3PY 0.60049 2.02409 -0.65020 -0.70601 0.05865 137 3PZ -0.33157 -0.81759 -0.11333 0.05107 -0.08915 138 4XX 0.03682 0.16678 -0.04364 -0.01499 -0.07231 139 4YY -0.14874 -0.40999 0.03804 0.05155 0.21074 140 4ZZ 0.07426 0.19334 -0.01237 -0.06964 -0.10671 141 4XY 0.07428 0.03889 -0.07020 -0.05854 -0.03877 142 4XZ -0.05806 -0.16792 0.06933 0.08622 0.12306 143 4YZ 0.00994 0.09392 -0.13302 -0.04613 -0.08108 144 14 C 1S 0.00778 0.01435 0.00830 0.00037 -0.00222 145 2S -0.06934 0.08706 0.25302 0.09249 0.07141 146 2PX 0.09271 0.15971 -0.09498 -0.08704 -0.06113 147 2PY -0.00953 0.12857 0.06647 -0.03478 -0.06193 148 2PZ -0.05417 -0.07820 0.09153 0.08099 0.05151 149 3S -0.73613 -2.94024 0.10187 0.29370 -0.24945 150 3PX 0.24858 1.07730 -0.00017 -0.14771 0.25231 151 3PY -0.02828 -0.86221 -0.08248 0.08647 0.01350 152 3PZ -0.09894 -0.78790 -0.03273 0.00648 -0.27477 153 4XX -0.01653 -0.07430 0.10393 0.11448 0.01468 154 4YY -0.03833 0.01658 -0.14693 0.01135 0.00651 155 4ZZ 0.03614 -0.02366 0.07517 -0.12748 -0.00795 156 4XY 0.07675 0.25706 -0.02049 -0.01889 -0.12990 157 4XZ -0.01869 -0.06499 0.13976 0.18105 0.03267 158 4YZ 0.03550 -0.03133 -0.04520 -0.01224 0.03515 159 15 C 1S -0.00778 -0.01435 0.00830 0.00037 0.00222 160 2S 0.06951 -0.08704 0.25303 0.09251 -0.07142 161 2PX -0.09280 -0.15972 -0.09498 -0.08705 0.06112 162 2PY -0.00951 0.12856 -0.06647 0.03479 -0.06191 163 2PZ 0.05422 0.07821 0.09153 0.08100 -0.05149 164 3S 0.73630 2.94028 0.10177 0.29356 0.24949 165 3PX -0.24858 -1.07729 -0.00012 -0.14763 -0.25235 166 3PY -0.02829 -0.86219 0.08251 -0.08644 0.01346 167 3PZ 0.09895 0.78792 -0.03276 0.00641 0.27477 168 4XX 0.01654 0.07429 0.10393 0.11448 -0.01465 169 4YY 0.03837 -0.01660 -0.14693 0.01135 -0.00649 170 4ZZ -0.03620 0.02368 0.07517 -0.12748 0.00791 171 4XY 0.07680 0.25707 0.02048 0.01890 -0.12991 172 4XZ 0.01880 0.06499 0.13976 0.18105 -0.03264 173 4YZ 0.03548 -0.03133 0.04520 0.01223 0.03516 174 16 C 1S 0.03562 0.06187 0.01641 0.01277 0.01191 175 2S 0.24779 0.67219 0.24138 0.41804 0.15645 176 2PX 0.03356 0.04996 0.03184 0.02428 -0.02934 177 2PY 0.02121 -0.03334 0.01714 -0.05900 -0.04970 178 2PZ -0.04438 -0.04817 -0.05658 -0.04651 0.02012 179 3S -1.05227 -2.76239 -1.16098 -1.37617 -0.70318 180 3PX -0.20090 -0.73217 -0.08939 -0.03271 0.06051 181 3PY 0.60100 2.02416 0.65014 0.70593 0.05877 182 3PZ 0.33166 0.81756 -0.11336 0.05102 0.08918 183 4XX -0.03681 -0.16677 -0.04363 -0.01500 0.07230 184 4YY 0.14877 0.41000 0.03803 0.05157 -0.21073 185 4ZZ -0.07429 -0.19335 -0.01236 -0.06966 0.10671 186 4XY 0.07430 0.03891 0.07020 0.05854 -0.03879 187 4XZ 0.05818 0.16793 0.06933 0.08623 -0.12304 188 4YZ 0.00995 0.09393 0.13302 0.04614 -0.08109 189 17 H 1S 0.08826 0.48643 -0.05880 -0.04817 -0.20555 190 2S 0.18132 0.47323 -0.11154 -0.08851 0.00328 191 18 H 1S 0.03045 0.04006 0.05137 0.07200 -0.09055 192 2S -0.01478 -0.37744 -0.06482 -0.00556 -0.06699 193 19 H 1S -0.03044 -0.04007 0.05137 0.07199 0.09058 194 2S 0.01477 0.37743 -0.06483 -0.00559 0.06699 195 20 H 1S -0.08832 -0.48643 -0.05879 -0.04819 0.20554 196 2S -0.18141 -0.47324 -0.11153 -0.08849 -0.00330 197 21 C 1S -0.00001 0.00000 -0.05874 -0.03867 0.00000 198 2S -0.00012 -0.00002 -0.55214 -0.41976 -0.00004 199 2PX -0.00001 0.00000 0.00501 -0.02741 0.00000 200 2PY 0.05469 0.26077 0.00000 0.00000 -0.02378 201 2PZ 0.00001 0.00000 -0.00863 0.05092 0.00001 202 3S 0.00054 0.00009 2.41375 1.90513 0.00016 203 3PX 0.00021 0.00006 0.57853 0.43091 -0.00002 204 3PY 0.15654 0.18345 -0.00001 -0.00001 0.09619 205 3PZ -0.00024 -0.00002 -0.71160 -0.76593 -0.00007 206 4XX 0.00000 0.00000 -0.12723 0.08721 0.00002 207 4YY -0.00009 0.00000 -0.12837 -0.25359 -0.00003 208 4ZZ 0.00010 0.00000 0.24648 0.18614 0.00001 209 4XY 0.21022 0.18769 0.00000 0.00000 -0.04672 210 4XZ -0.00001 0.00000 -0.03885 -0.02484 -0.00001 211 4YZ -0.08245 -0.10885 0.00000 0.00000 0.01663 212 22 H 1S -0.00003 0.00001 0.00287 -0.22551 -0.00004 213 2S 0.00010 0.00002 -0.06763 0.27542 0.00000 214 23 H 1S -0.00007 -0.00002 -0.25848 -0.20214 0.00000 215 2S -0.00001 -0.00001 -0.09087 -0.00996 0.00001 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 0.00656 -0.00068 0.00182 0.00059 0.00269 2 2S 0.10440 -0.13078 -0.06177 -0.11817 0.13123 3 2PX 0.02487 -0.10062 -0.03190 -0.10697 0.01109 4 2PY -0.07636 -0.14927 -0.00310 -0.13534 -0.07864 5 2PZ -0.02969 0.08854 0.01168 0.08584 0.01817 6 3S -0.26159 -0.37182 -0.56443 -0.78985 -0.26467 7 3PX -0.21681 -0.06823 -0.17055 -0.19968 -0.20654 8 3PY 0.28628 0.36278 -0.07796 0.61301 0.17324 9 3PZ 0.15430 -0.03338 0.18663 0.02035 0.15587 10 4XX 0.04338 -0.05971 0.00918 -0.11565 0.09156 11 4YY -0.06520 0.10193 0.07736 0.09949 -0.08240 12 4ZZ 0.04360 -0.02863 -0.09297 0.02928 -0.01969 13 4XY 0.10002 0.06894 0.04640 0.09892 -0.02783 14 4XZ 0.05102 -0.11866 0.05311 -0.13817 0.01669 15 4YZ -0.09344 -0.06546 -0.02571 -0.04406 0.05089 16 2 H 1S 0.04922 -0.01603 0.04897 -0.03137 -0.07151 17 2S -0.13304 -0.04165 -0.04457 -0.09187 -0.08481 18 3 C 1S 0.00656 0.00068 0.00182 -0.00059 0.00270 19 2S 0.10440 0.13078 -0.06179 0.11818 0.13129 20 2PX 0.02487 0.10062 -0.03192 0.10697 0.01110 21 2PY 0.07636 -0.14927 0.00312 -0.13534 0.07866 22 2PZ -0.02969 -0.08854 0.01170 -0.08584 0.01817 23 3S -0.26162 0.37182 -0.56449 0.78981 -0.26509 24 3PX -0.21684 0.06823 -0.17056 0.19968 -0.20668 25 3PY -0.28630 0.36276 0.07791 0.61300 -0.17334 26 3PZ 0.15428 0.03339 0.18662 -0.02033 0.15600 27 4XX 0.04334 0.05971 0.00916 0.11566 0.09159 28 4YY -0.06519 -0.10193 0.07738 -0.09950 -0.08238 29 4ZZ 0.04363 0.02864 -0.09297 -0.02928 -0.01973 30 4XY -0.10003 0.06893 -0.04640 0.09890 0.02785 31 4XZ 0.05101 0.11865 0.05310 0.13817 0.01673 32 4YZ 0.09343 -0.06545 0.02572 -0.04406 -0.05084 33 4 H 1S 0.04922 0.01603 0.04897 0.03138 -0.07150 34 2S -0.13304 0.04164 -0.04458 0.09186 -0.08486 35 5 C 1S 0.00587 0.01299 -0.00330 0.00304 -0.00592 36 2S -0.20674 0.34248 -0.05943 0.34531 -0.05725 37 2PX 0.02296 0.01212 -0.00026 -0.01542 -0.05082 38 2PY -0.11329 0.12725 -0.09791 0.15474 -0.06941 39 2PZ -0.05566 0.00112 -0.03720 -0.00145 0.04256 40 3S -0.10064 -0.52608 -0.41164 0.15237 0.12205 41 3PX 0.06685 -0.28489 -0.61458 -0.13931 -0.09279 42 3PY 1.22831 -0.89948 1.16903 -1.50308 0.69124 43 3PZ 0.16122 0.01101 0.51486 -0.09768 0.12305 44 4XX 0.04703 -0.09436 -0.01197 -0.10361 0.03177 45 4YY -0.01994 0.02112 0.05673 0.10298 0.06552 46 4ZZ 0.04332 0.08837 -0.04452 -0.03313 -0.11232 47 4XY 0.01850 -0.01551 0.01401 0.01113 -0.02033 48 4XZ 0.07742 0.30035 0.05184 0.27899 0.06691 49 4YZ 0.00808 -0.03324 0.00764 -0.02322 0.00199 50 6 C 1S 0.00396 -0.01163 0.00350 0.00557 0.00982 51 2S 0.11473 -0.01231 0.52861 0.10918 0.36834 52 2PX -0.01813 -0.10582 -0.00063 -0.14697 -0.03939 53 2PY 0.07032 -0.09248 0.22815 -0.15001 0.05964 54 2PZ -0.02535 0.03979 0.04846 0.05220 0.04223 55 3S -0.25491 1.01960 0.16415 0.53153 -0.39822 56 3PX 0.20490 -0.08515 0.01319 -0.02522 0.04706 57 3PY -0.32890 0.24958 -0.98927 0.37529 -0.34786 58 3PZ -0.33678 0.35269 -0.41467 -0.00878 -0.40656 59 4XX -0.07895 0.02892 -0.10099 0.00625 0.01195 60 4YY -0.02450 -0.07909 -0.24043 -0.12876 -0.03113 61 4ZZ 0.10735 0.05949 0.31878 0.11218 -0.02793 62 4XY 0.07833 -0.12772 0.05648 -0.12529 0.00779 63 4XZ -0.13026 0.16158 -0.21773 0.02250 -0.26858 64 4YZ 0.14117 -0.02019 0.12254 -0.00180 0.04050 65 7 H 1S -0.20712 0.00553 -0.36107 -0.03191 -0.18192 66 2S -0.11592 0.07577 -0.16769 -0.00192 -0.04827 67 8 C 1S 0.00396 0.01163 0.00350 -0.00557 0.00982 68 2S 0.11472 0.01234 0.52862 -0.10915 0.36824 69 2PX -0.01814 0.10582 -0.00065 0.14697 -0.03939 70 2PY -0.07033 -0.09249 -0.22813 -0.15004 -0.05964 71 2PZ -0.02535 -0.03979 0.04846 -0.05220 0.04221 72 3S -0.25487 -1.01963 0.16418 -0.53151 -0.39778 73 3PX 0.20497 0.08517 0.01328 0.02523 0.04710 74 3PY 0.32888 0.24962 0.98925 0.37538 0.34766 75 3PZ -0.33677 -0.35272 -0.41466 0.00874 -0.40639 76 4XX -0.07896 -0.02893 -0.10100 -0.00626 0.01191 77 4YY -0.02450 0.07907 -0.24045 0.12874 -0.03113 78 4ZZ 0.10737 -0.05947 0.31881 -0.11215 -0.02787 79 4XY -0.07833 -0.12772 -0.05648 -0.12529 -0.00783 80 4XZ -0.13027 -0.16159 -0.21772 -0.02252 -0.26855 81 4YZ -0.14116 -0.02020 -0.12254 -0.00181 -0.04053 82 9 H 1S -0.20713 -0.00554 -0.36108 0.03187 -0.18193 83 2S -0.11593 -0.07578 -0.16770 0.00191 -0.04824 84 10 C 1S 0.00587 -0.01299 -0.00330 -0.00304 -0.00592 85 2S -0.20675 -0.34249 -0.05939 -0.34532 -0.05724 86 2PX 0.02296 -0.01211 -0.00026 0.01542 -0.05082 87 2PY 0.11329 0.12726 0.09790 0.15475 0.06942 88 2PZ -0.05567 -0.00113 -0.03720 0.00144 0.04255 89 3S -0.10056 0.52605 -0.41161 -0.15241 0.12188 90 3PX 0.06681 0.28487 -0.61462 0.13923 -0.09274 91 3PY -1.22825 -0.89959 -1.16887 -1.50319 -0.69101 92 3PZ 0.16118 -0.01100 0.51484 0.09772 0.12296 93 4XX 0.04704 0.09435 -0.01200 0.10360 0.03171 94 4YY -0.01993 -0.02111 0.05674 -0.10297 0.06554 95 4ZZ 0.04331 -0.08836 -0.04452 0.03313 -0.11230 96 4XY -0.01850 -0.01552 -0.01401 0.01112 0.02032 97 4XZ 0.07742 -0.30035 0.05188 -0.27898 0.06688 98 4YZ -0.00808 -0.03323 -0.00764 -0.02321 -0.00200 99 11 O 1S -0.01670 0.00827 -0.01229 0.01902 -0.00339 100 2S -0.28626 0.11208 -0.35211 0.26461 -0.19464 101 2PX 0.02677 0.00601 -0.04222 -0.01574 -0.02861 102 2PY -0.00296 -0.01747 -0.06075 -0.06361 -0.05335 103 2PZ 0.00930 -0.00038 -0.00164 -0.01466 -0.01002 104 3S 1.24081 -0.58435 1.28238 -1.38513 0.62412 105 3PX -0.00474 0.00412 0.20592 -0.00668 0.09013 106 3PY 0.29881 -0.09557 0.32832 -0.29358 0.15582 107 3PZ -0.00080 -0.01441 -0.03414 -0.00127 0.00316 108 4XX -0.05554 0.05921 0.00037 0.09620 -0.00481 109 4YY -0.10948 0.04596 -0.13908 0.08429 -0.07400 110 4ZZ 0.02447 -0.04701 -0.00707 -0.06802 0.01373 111 4XY -0.00869 0.00186 0.20814 0.07116 0.09729 112 4XZ -0.00326 -0.26787 0.08734 -0.25422 0.00566 113 4YZ 0.02904 0.03614 -0.05270 0.05330 -0.05209 114 12 O 1S -0.01670 -0.00828 -0.01229 -0.01902 -0.00339 115 2S -0.28623 -0.11211 -0.35209 -0.26464 -0.19463 116 2PX 0.02677 -0.00601 -0.04222 0.01574 -0.02860 117 2PY 0.00296 -0.01746 0.06076 -0.06360 0.05337 118 2PZ 0.00929 0.00038 -0.00164 0.01466 -0.01002 119 3S 1.24071 0.58447 1.28225 1.38524 0.62399 120 3PX -0.00475 -0.00413 0.20591 0.00668 0.09010 121 3PY -0.29878 -0.09560 -0.32830 -0.29361 -0.15580 122 3PZ -0.00079 0.01442 -0.03414 0.00127 0.00318 123 4XX -0.05554 -0.05921 0.00038 -0.09619 -0.00481 124 4YY -0.10948 -0.04597 -0.13907 -0.08430 -0.07398 125 4ZZ 0.02448 0.04701 -0.00708 0.06802 0.01372 126 4XY 0.00867 0.00186 -0.20815 0.07115 -0.09726 127 4XZ -0.00326 0.26788 0.08731 0.25423 0.00567 128 4YZ -0.02906 0.03613 0.05269 0.05330 0.05206 129 13 C 1S 0.00117 0.03710 -0.01408 -0.02893 -0.01805 130 2S -0.17321 0.56534 -0.24317 -0.46915 -0.74344 131 2PX 0.11986 -0.06392 0.00413 0.03450 0.00964 132 2PY -0.10573 0.17285 0.01702 -0.17306 -0.19769 133 2PZ -0.05451 0.01724 0.08427 -0.02327 0.02451 134 3S 0.23196 -2.19238 0.68838 1.66433 1.67667 135 3PX -0.40714 -0.47450 -0.07865 0.47715 0.27715 136 3PY 0.24955 -1.14490 0.52086 1.11129 1.09769 137 3PZ -0.25231 0.28188 0.01593 -0.21694 -0.12857 138 4XX 0.05129 0.11929 0.14815 -0.13395 -0.25986 139 4YY -0.01873 -0.18885 -0.08738 0.13739 0.03286 140 4ZZ -0.02624 0.04475 -0.00578 0.01107 0.33190 141 4XY -0.25093 -0.27991 -0.06238 0.26826 0.19162 142 4XZ -0.10286 -0.06470 0.01683 -0.05247 0.02070 143 4YZ -0.23941 -0.01522 -0.04793 0.07052 0.19659 144 14 C 1S 0.01379 -0.01471 -0.01364 0.00997 0.02524 145 2S 0.27647 -0.12543 -0.44250 0.06585 0.22686 146 2PX 0.03300 -0.03202 0.10353 0.06320 -0.03834 147 2PY 0.17645 0.15100 -0.18389 -0.08851 0.09473 148 2PZ -0.02458 -0.00650 -0.07534 -0.01251 0.06934 149 3S -0.16310 2.10419 0.12933 -1.79088 -0.95546 150 3PX 0.29359 -0.87796 -0.16026 0.72993 0.52283 151 3PY -0.39338 0.59234 0.28305 -0.62254 -0.25395 152 3PZ -0.09976 0.80894 0.16650 -0.62864 -0.34354 153 4XX -0.02694 -0.11162 -0.16943 0.03612 -0.11221 154 4YY -0.26138 0.08659 0.30287 -0.05950 -0.05594 155 4ZZ 0.33272 0.06363 -0.16904 -0.02480 0.23191 156 4XY -0.14549 0.09461 0.04972 0.00798 0.17098 157 4XZ -0.07913 0.05508 -0.11371 -0.11171 0.13964 158 4YZ 0.07263 -0.19585 -0.01514 0.20793 -0.24248 159 15 C 1S 0.01379 0.01471 -0.01364 -0.00997 0.02524 160 2S 0.27645 0.12540 -0.44250 -0.06589 0.22676 161 2PX 0.03302 0.03203 0.10353 -0.06319 -0.03831 162 2PY -0.17646 0.15101 0.18389 -0.08850 -0.09473 163 2PZ -0.02459 0.00649 -0.07535 0.01251 0.06932 164 3S -0.16309 -2.10418 0.12926 1.79089 -0.95504 165 3PX 0.29356 0.87796 -0.16024 -0.72993 0.52262 166 3PY 0.39338 0.59233 -0.28303 -0.62256 0.25375 167 3PZ -0.09972 -0.80894 0.16649 0.62866 -0.34340 168 4XX -0.02694 0.11162 -0.16944 -0.03614 -0.11218 169 4YY -0.26138 -0.08658 0.30287 0.05952 -0.05594 170 4ZZ 0.33272 -0.06363 -0.16904 0.02478 0.23187 171 4XY 0.14546 0.09462 -0.04973 0.00798 -0.17098 172 4XZ -0.07914 -0.05510 -0.11372 0.11170 0.13959 173 4YZ -0.07262 -0.19585 0.01513 0.20793 0.24248 174 16 C 1S 0.00118 -0.03710 -0.01408 0.02893 -0.01805 175 2S -0.17320 -0.56536 -0.24318 0.46912 -0.74342 176 2PX 0.11985 0.06392 0.00413 -0.03450 0.00961 177 2PY 0.10572 0.17285 -0.01702 -0.17306 0.19771 178 2PZ -0.05451 -0.01723 0.08427 0.02327 0.02453 179 3S 0.23190 2.19244 0.68841 -1.66427 1.67638 180 3PX -0.40711 0.47449 -0.07862 -0.47715 0.27719 181 3PY -0.24958 -1.14495 -0.52089 1.11124 -1.09759 182 3PZ -0.25232 -0.28188 0.01593 0.21694 -0.12853 183 4XX 0.05131 -0.11927 0.14815 0.13396 -0.25986 184 4YY -0.01877 0.18885 -0.08738 -0.13740 0.03287 185 4ZZ -0.02622 -0.04476 -0.00578 -0.01107 0.33186 186 4XY 0.25093 -0.27990 0.06237 0.26827 -0.19165 187 4XZ -0.10289 0.06469 0.01682 0.05247 0.02063 188 4YZ 0.23939 -0.01521 0.04793 0.07052 -0.19660 189 17 H 1S -0.01813 0.13827 0.08945 -0.02857 0.04818 190 2S 0.11327 -0.34066 0.14143 0.30170 0.30353 191 18 H 1S -0.18843 0.22401 0.02664 -0.19978 0.19119 192 2S -0.11016 0.24937 0.14106 -0.22958 -0.24020 193 19 H 1S -0.18841 -0.22402 0.02663 0.19978 0.19120 194 2S -0.11015 -0.24937 0.14106 0.22959 -0.24011 195 20 H 1S -0.01809 -0.13827 0.08946 0.02859 0.04817 196 2S 0.11328 0.34067 0.14144 -0.30168 0.30352 197 21 C 1S -0.02170 0.00000 0.01672 0.00000 0.02210 198 2S 0.03417 0.00002 0.26519 0.00001 -0.42975 199 2PX 0.03418 0.00000 0.06901 0.00000 -0.03818 200 2PY -0.00001 -0.05991 0.00000 0.14060 0.00001 201 2PZ -0.06166 0.00000 0.02797 0.00000 0.29882 202 3S -0.08681 -0.00007 -1.26277 -0.00006 -1.20531 203 3PX 1.09774 -0.00001 -0.81835 -0.00003 -0.67724 204 3PY 0.00001 -0.32731 0.00001 0.10466 0.00003 205 3PZ 0.13581 0.00003 0.49046 0.00002 -0.34230 206 4XX -0.45952 0.00000 0.30386 0.00001 -0.23654 207 4YY 0.28602 0.00001 -0.07862 0.00000 0.11960 208 4ZZ 0.10005 -0.00001 -0.22840 -0.00001 0.20179 209 4XY 0.00000 -0.35873 -0.00001 0.40581 0.00001 210 4XZ 0.24014 0.00001 0.12315 0.00001 -0.20621 211 4YZ 0.00000 -0.22941 0.00000 0.26683 0.00000 212 22 H 1S 0.59076 0.00001 -0.15398 -0.00001 -0.00121 213 2S 0.25525 0.00000 -0.28781 0.00000 -0.04434 214 23 H 1S -0.29782 0.00000 0.08085 0.00000 0.32361 215 2S -0.17641 0.00000 0.19442 0.00001 0.32483 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 -0.01600 -0.00184 0.00931 0.01310 0.01303 2 2S -0.27670 -0.10963 -0.02084 0.03507 0.21875 3 2PX -0.02322 0.01275 -0.02919 0.00006 0.03710 4 2PY 0.11455 -0.03726 -0.00534 -0.02826 -0.03199 5 2PZ -0.02615 0.06206 0.04671 0.06156 0.01212 6 3S 2.16584 1.10066 -0.61006 -0.53813 -1.65397 7 3PX 0.74508 0.61212 -0.09235 -0.10587 -0.66614 8 3PY -0.62951 -0.43166 -0.27941 -0.23757 0.18940 9 3PZ -0.70340 -0.20536 0.12415 0.14857 0.61706 10 4XX -0.08898 0.08375 0.07007 0.14342 0.00704 11 4YY -0.07226 0.02458 0.03873 0.00634 0.01976 12 4ZZ 0.18636 -0.07608 -0.09691 -0.13136 -0.05001 13 4XY 0.05571 -0.21775 0.01164 0.00694 -0.12595 14 4XZ -0.16072 0.07151 0.10495 0.13214 0.09958 15 4YZ 0.22765 -0.38917 0.08249 0.16675 -0.18958 16 2 H 1S -0.04157 0.09644 0.05055 0.01187 0.01168 17 2S 0.27463 0.15286 0.03647 0.00889 -0.18767 18 3 C 1S 0.01600 0.00184 0.00931 0.01310 -0.01303 19 2S 0.27667 0.10965 -0.02084 0.03506 -0.21876 20 2PX 0.02322 -0.01275 -0.02919 0.00007 -0.03710 21 2PY 0.11454 -0.03725 0.00533 0.02824 -0.03199 22 2PZ 0.02615 -0.06205 0.04670 0.06157 -0.01212 23 3S -2.16577 -1.10077 -0.61009 -0.53814 1.65397 24 3PX -0.74505 -0.61216 -0.09235 -0.10583 0.66615 25 3PY -0.62945 -0.43159 0.27940 0.23749 0.18939 26 3PZ 0.70336 0.20539 0.12416 0.14860 -0.61705 27 4XX 0.08896 -0.08374 0.07007 0.14345 -0.00704 28 4YY 0.07227 -0.02458 0.03872 0.00631 -0.01974 29 4ZZ -0.18635 0.07607 -0.09691 -0.13137 0.04999 30 4XY 0.05571 -0.21774 -0.01164 -0.00687 -0.12596 31 4XZ 0.16072 -0.07150 0.10495 0.13213 -0.09958 32 4YZ 0.22766 -0.38919 -0.08250 -0.16669 -0.18959 33 4 H 1S 0.04159 -0.09644 0.05055 0.01185 -0.01168 34 2S -0.27461 -0.15286 0.03647 0.00888 0.18767 35 5 C 1S -0.00193 -0.00908 -0.00923 0.00592 0.00603 36 2S -0.13650 -0.12214 -0.02454 0.04857 0.00713 37 2PX -0.00266 -0.03092 -0.01807 -0.06372 -0.02640 38 2PY -0.01729 -0.02123 -0.01260 0.01273 -0.00518 39 2PZ 0.03936 -0.05155 0.01165 0.07343 -0.00803 40 3S 1.02263 1.18783 0.10273 -0.16113 -0.63323 41 3PX -0.28360 0.16683 -0.59432 -0.67239 0.60312 42 3PY 1.35637 1.02316 0.18999 -0.14523 -0.95450 43 3PZ 0.40833 0.00994 0.47270 0.42449 -0.55860 44 4XX 0.25044 -0.21354 0.19824 0.38611 -0.06677 45 4YY -0.12169 0.08400 0.04017 -0.02892 0.02742 46 4ZZ -0.06954 0.15919 -0.26159 -0.35421 0.02989 47 4XY -0.04247 0.04953 -0.05009 -0.11857 -0.00847 48 4XZ 0.09956 0.02552 0.06084 0.16168 -0.12385 49 4YZ -0.03098 -0.00867 0.02813 0.04198 -0.02562 50 6 C 1S 0.02106 0.00612 -0.00629 -0.01994 -0.01956 51 2S 0.49765 0.28156 0.02947 -0.12511 -0.45997 52 2PX 0.02197 -0.05254 -0.04496 -0.06145 -0.02611 53 2PY -0.04343 -0.06010 0.05193 -0.06642 0.08230 54 2PZ 0.07380 0.06299 -0.00445 0.00135 -0.08377 55 3S -2.29256 -1.74344 0.54547 0.76158 2.05716 56 3PX 0.03271 1.03030 -0.07052 -0.23832 0.13935 57 3PY -0.96670 -0.76792 -0.44185 -0.08690 1.35509 58 3PZ -0.88747 -1.04639 -0.09654 0.18859 0.62773 59 4XX 0.14513 -0.32673 0.09865 0.23300 0.06316 60 4YY -0.04127 -0.05025 -0.04887 -0.02167 0.07959 61 4ZZ -0.20418 0.30011 -0.06066 -0.22900 -0.03981 62 4XY -0.18175 0.01257 0.05185 0.20251 -0.07360 63 4XZ -0.12749 -0.26193 -0.04136 0.10046 0.15324 64 4YZ -0.17026 -0.07064 0.07023 0.03786 -0.21445 65 7 H 1S 0.00319 -0.34170 -0.11294 0.10558 0.13713 66 2S -0.15093 -0.35323 -0.10079 -0.01945 0.20288 67 8 C 1S -0.02106 -0.00613 -0.00629 -0.01994 0.01956 68 2S -0.49775 -0.28159 0.02946 -0.12517 0.45998 69 2PX -0.02197 0.05253 -0.04496 -0.06144 0.02610 70 2PY -0.04341 -0.06008 -0.05193 0.06643 0.08230 71 2PZ -0.07380 -0.06299 -0.00445 0.00133 0.08377 72 3S 2.29265 1.74359 0.54552 0.76178 -2.05714 73 3PX -0.03276 -1.03039 -0.07051 -0.23833 -0.13932 74 3PY -0.96680 -0.76789 0.44184 0.08694 1.35510 75 3PZ 0.88759 1.04645 -0.09651 0.18864 -0.62774 76 4XX -0.14513 0.32675 0.09866 0.23297 -0.06315 77 4YY 0.04128 0.05025 -0.04887 -0.02168 -0.07960 78 4ZZ 0.20418 -0.30014 -0.06066 -0.22896 0.03980 79 4XY -0.18176 0.01252 -0.05185 -0.20249 -0.07361 80 4XZ 0.12756 0.26193 -0.04136 0.10042 -0.15323 81 4YZ -0.17024 -0.07064 -0.07023 -0.03781 -0.21446 82 9 H 1S -0.00313 0.34172 -0.11293 0.10555 -0.13712 83 2S 0.15094 0.35324 -0.10078 -0.01945 -0.20289 84 10 C 1S 0.00193 0.00908 -0.00923 0.00592 -0.00603 85 2S 0.13651 0.12216 -0.02454 0.04855 -0.00711 86 2PX 0.00267 0.03090 -0.01806 -0.06373 0.02641 87 2PY -0.01730 -0.02124 0.01260 -0.01272 -0.00518 88 2PZ -0.03937 0.05156 0.01165 0.07342 0.00804 89 3S -1.02264 -1.18786 0.10271 -0.16114 0.63320 90 3PX 0.28367 -0.16693 -0.59433 -0.67247 -0.60317 91 3PY 1.35658 1.02324 -0.18996 0.14528 -0.95451 92 3PZ -0.40837 -0.00985 0.47271 0.42454 0.55861 93 4XX -0.25045 0.21358 0.19824 0.38609 0.06681 94 4YY 0.12168 -0.08401 0.04016 -0.02893 -0.02743 95 4ZZ 0.06956 -0.15922 -0.26160 -0.35418 -0.02993 96 4XY -0.04246 0.04954 0.05009 0.11854 -0.00847 97 4XZ -0.09957 -0.02550 0.06083 0.16165 0.12386 98 4YZ -0.03098 -0.00868 -0.02813 -0.04198 -0.02562 99 11 O 1S -0.00873 -0.00337 0.00166 -0.00061 0.00456 100 2S -0.11997 -0.15198 -0.06052 0.03529 0.11933 101 2PX -0.02785 -0.00183 -0.03206 -0.02532 0.02969 102 2PY 0.08094 -0.04649 -0.02375 0.01961 -0.01216 103 2PZ 0.03439 -0.02280 0.01223 0.03524 -0.01277 104 3S 0.78600 0.52736 0.12841 -0.08585 -0.57117 105 3PX 0.14608 0.01206 0.14529 0.15419 -0.17397 106 3PY 0.10926 0.09279 0.02785 -0.02069 -0.09448 107 3PZ -0.10467 0.06162 -0.09603 -0.14085 0.07564 108 4XX 0.00889 0.09746 -0.07812 -0.17807 -0.04092 109 4YY -0.07758 -0.05994 -0.02005 0.00384 0.06573 110 4ZZ 0.04748 -0.09764 0.09375 0.18288 0.00468 111 4XY 0.15197 0.05335 0.10680 0.14175 -0.14442 112 4XZ -0.04324 0.02884 -0.01409 -0.10688 0.01580 113 4YZ -0.15216 0.08089 -0.08837 -0.13646 0.04404 114 12 O 1S 0.00874 0.00337 0.00166 -0.00060 -0.00456 115 2S 0.12003 0.15200 -0.06052 0.03530 -0.11935 116 2PX 0.02786 0.00182 -0.03206 -0.02532 -0.02970 117 2PY 0.08093 -0.04649 0.02375 -0.01961 -0.01216 118 2PZ -0.03439 0.02281 0.01223 0.03524 0.01277 119 3S -0.78621 -0.52742 0.12840 -0.08589 0.57121 120 3PX -0.14610 -0.01203 0.14529 0.15421 0.17397 121 3PY 0.10931 0.09280 -0.02785 0.02070 -0.09449 122 3PZ 0.10467 -0.06165 -0.09603 -0.14086 -0.07564 123 4XX -0.00888 -0.09748 -0.07813 -0.17806 0.04089 124 4YY 0.07759 0.05994 -0.02005 0.00385 -0.06572 125 4ZZ -0.04749 0.09766 0.09375 0.18287 -0.00466 126 4XY 0.15199 0.05333 -0.10680 -0.14177 -0.14443 127 4XZ 0.04323 -0.02885 -0.01408 -0.10686 -0.01581 128 4YZ -0.15217 0.08091 0.08838 0.13646 0.04405 129 13 C 1S -0.01483 0.00361 -0.02098 0.00406 0.03352 130 2S -0.11837 0.01561 -0.27613 0.44609 0.61983 131 2PX 0.13930 0.10618 0.04709 0.00797 -0.01794 132 2PY 0.04928 0.02712 -0.04524 0.12688 0.11548 133 2PZ -0.11400 -0.09361 -0.01823 -0.01918 -0.03542 134 3S 1.50749 0.75592 1.19645 -1.14818 -1.36119 135 3PX -0.14285 0.05689 0.28008 -0.28068 -0.03167 136 3PY 0.54044 0.52922 0.86391 -0.94477 -0.78758 137 3PZ -0.15562 -0.01322 0.09868 -0.01264 0.17788 138 4XX -0.03865 0.07375 0.37007 -0.22218 -0.27570 139 4YY -0.03168 -0.10545 0.04922 0.02537 0.00054 140 4ZZ 0.13780 0.07435 -0.39905 0.09778 0.23377 141 4XY -0.10947 -0.04073 -0.04596 -0.02738 -0.06001 142 4XZ 0.33060 0.22045 -0.10663 0.01854 -0.00039 143 4YZ 0.00963 0.09794 0.32175 -0.19650 -0.05349 144 14 C 1S 0.02252 0.02643 0.02104 -0.01345 0.00602 145 2S 0.47228 0.46189 0.20447 -0.03962 0.14745 146 2PX -0.14744 -0.11329 -0.00223 -0.03192 -0.04240 147 2PY -0.01639 0.00503 0.15861 -0.08531 -0.02243 148 2PZ 0.11915 0.05380 -0.05998 0.05041 0.08393 149 3S -2.14895 -2.11732 -0.68168 0.54772 0.31483 150 3PX 1.04009 0.75599 0.32113 -0.24145 0.10431 151 3PY -0.91323 -0.94792 -0.24940 0.20411 -0.04883 152 3PZ -0.74668 -0.56940 -0.39644 0.24284 0.30563 153 4XX -0.14337 -0.02489 0.36812 -0.17407 -0.28606 154 4YY 0.01879 0.00461 -0.16994 0.06331 -0.01730 155 4ZZ 0.13737 0.01129 -0.14791 0.05700 0.30469 156 4XY -0.03729 -0.06726 0.02326 -0.08514 0.32172 157 4XZ 0.21796 0.16332 0.22200 -0.03240 0.00130 158 4YZ 0.06859 -0.07490 0.12451 -0.02525 0.39405 159 15 C 1S -0.02253 -0.02643 0.02104 -0.01345 -0.00602 160 2S -0.47233 -0.46191 0.20448 -0.03959 -0.14745 161 2PX 0.14744 0.11329 -0.00223 -0.03192 0.04240 162 2PY -0.01638 0.00504 -0.15861 0.08531 -0.02242 163 2PZ -0.11917 -0.05379 -0.05998 0.05042 -0.08392 164 3S 2.14918 2.11740 -0.68172 0.54765 -0.31480 165 3PX -1.04022 -0.75603 0.32114 -0.24142 -0.10433 166 3PY -0.91329 -0.94795 0.24942 -0.20405 -0.04885 167 3PZ 0.74676 0.56945 -0.39646 0.24285 -0.30561 168 4XX 0.14341 0.02487 0.36812 -0.17409 0.28605 169 4YY -0.01878 -0.00460 -0.16994 0.06330 0.01730 170 4ZZ -0.13742 -0.01128 -0.14791 0.05703 -0.30469 171 4XY -0.03726 -0.06725 -0.02327 0.08512 0.32173 172 4XZ -0.21799 -0.16333 0.22200 -0.03239 -0.00130 173 4YZ 0.06854 -0.07489 -0.12451 0.02522 0.39405 174 16 C 1S 0.01483 -0.00361 -0.02098 0.00406 -0.03352 175 2S 0.11854 -0.01557 -0.27611 0.44615 -0.61980 176 2PX -0.13930 -0.10618 0.04709 0.00797 0.01794 177 2PY 0.04924 0.02711 0.04524 -0.12689 0.11547 178 2PZ 0.11400 0.09361 -0.01823 -0.01919 0.03542 179 3S -1.50790 -0.75606 1.19644 -1.14829 1.36113 180 3PX 0.14279 -0.05693 0.28010 -0.28068 0.03164 181 3PY 0.54071 0.52934 -0.86391 0.94479 -0.78749 182 3PZ 0.15566 0.01322 0.09868 -0.01262 -0.17788 183 4XX 0.03870 -0.07378 0.37007 -0.22220 0.27568 184 4YY 0.03167 0.10545 0.04921 0.02536 -0.00054 185 4ZZ -0.13788 -0.07433 -0.39904 0.09781 -0.23376 186 4XY -0.10943 -0.04073 0.04595 0.02739 -0.06001 187 4XZ -0.33061 -0.22044 -0.10664 0.01855 0.00039 188 4YZ 0.00967 0.09796 -0.32175 0.19649 -0.05348 189 17 H 1S 0.01685 0.15345 0.11560 -0.14644 -0.01787 190 2S 0.06953 0.08342 0.20079 -0.23401 -0.19491 191 18 H 1S -0.05264 0.00985 -0.00202 -0.00366 -0.02494 192 2S -0.41404 -0.31862 -0.15462 0.10106 0.00037 193 19 H 1S 0.05260 -0.00984 -0.00202 -0.00365 0.02493 194 2S 0.41409 0.31863 -0.15463 0.10105 -0.00036 195 20 H 1S -0.01687 -0.15347 0.11561 -0.14641 0.01785 196 2S -0.06960 -0.08346 0.20079 -0.23401 0.19489 197 21 C 1S 0.00000 0.00000 0.02734 -0.02302 0.00000 198 2S 0.00004 0.00001 -0.25771 0.01089 0.00000 199 2PX 0.00000 0.00000 -0.08498 0.04418 0.00000 200 2PY 0.06177 0.08284 0.00000 0.00000 -0.07226 201 2PZ -0.00003 -0.00001 0.16573 -0.09535 0.00000 202 3S 0.00016 0.00007 -1.01085 1.37887 0.00005 203 3PX 0.00008 0.00002 -0.15453 0.36883 0.00001 204 3PY 0.25242 0.04132 0.00000 0.00001 -0.20040 205 3PZ 0.00002 -0.00002 0.38370 -0.30667 -0.00001 206 4XX 0.00003 0.00001 0.07459 0.12229 0.00001 207 4YY -0.00002 -0.00002 0.15173 -0.25644 -0.00002 208 4ZZ -0.00002 0.00001 -0.15227 0.12283 0.00001 209 4XY 0.11475 0.13272 0.00000 -0.00001 0.09854 210 4XZ 0.00002 0.00001 -0.04760 0.11178 0.00000 211 4YZ 0.03341 0.09814 0.00000 0.00000 -0.04587 212 22 H 1S 0.00000 -0.00001 0.04229 -0.06267 -0.00001 213 2S 0.00001 0.00001 -0.06035 0.01874 0.00000 214 23 H 1S -0.00004 -0.00001 0.09554 -0.23993 -0.00001 215 2S -0.00004 0.00000 -0.11541 -0.00860 0.00000 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 -0.01223 0.05232 0.00284 -0.02380 0.00307 2 2S -0.26063 0.37821 0.20855 -0.20479 -0.04038 3 2PX 0.00654 -0.05210 0.04383 0.02955 -0.02644 4 2PY 0.25679 -0.19956 -0.05294 0.10281 0.09946 5 2PZ 0.03211 0.04064 0.01029 -0.03393 0.00521 6 3S 0.42565 -1.91548 -1.54227 0.82082 -1.19148 7 3PX 0.40698 -0.59087 -0.67970 0.30880 -0.25753 8 3PY 1.22384 -0.51451 0.34347 0.10646 0.96549 9 3PZ -0.32000 0.43145 0.63193 -0.22345 0.19114 10 4XX 0.18446 -0.00801 -0.10347 0.00735 0.16194 11 4YY -0.27811 -0.18171 0.07200 0.07713 -0.14502 12 4ZZ 0.03473 0.26198 -0.00409 -0.09242 -0.05660 13 4XY -0.24772 -0.21585 -0.21614 0.09206 0.02966 14 4XZ -0.27315 0.29875 -0.02208 -0.14262 -0.06855 15 4YZ -0.07799 0.12423 -0.22257 -0.06738 0.09637 16 2 H 1S -0.27931 0.06678 -0.07168 -0.01432 -0.12229 17 2S -0.03550 -0.04770 -0.20425 0.04635 -0.15460 18 3 C 1S 0.01223 0.05232 -0.00282 -0.02381 -0.00306 19 2S 0.26063 0.37820 -0.20841 -0.20492 0.04040 20 2PX -0.00653 -0.05209 -0.04385 0.02952 0.02643 21 2PY 0.25679 0.19956 -0.05287 -0.10285 0.09948 22 2PZ -0.03211 0.04064 -0.01027 -0.03394 -0.00520 23 3S -0.42568 -1.91546 1.54172 0.82183 1.19133 24 3PX -0.40694 -0.59084 0.67950 0.30923 0.25750 25 3PY 1.22386 0.51451 0.34353 -0.10624 0.96550 26 3PZ 0.32001 0.43144 -0.63178 -0.22386 -0.19110 27 4XX -0.18446 -0.00800 0.10346 0.00742 -0.16194 28 4YY 0.27812 -0.18172 -0.07204 0.07709 0.14501 29 4ZZ -0.03475 0.26198 0.00415 -0.09242 0.05661 30 4XY -0.24771 0.21585 -0.21609 -0.09220 0.02968 31 4XZ 0.27315 0.29874 0.02217 -0.14261 0.06858 32 4YZ -0.07801 -0.12424 -0.22261 0.06724 0.09635 33 4 H 1S 0.27931 0.06678 0.07169 -0.01428 0.12229 34 2S 0.03550 -0.04770 0.20422 0.04648 0.15460 35 5 C 1S 0.00355 -0.00394 0.01168 0.02053 -0.00080 36 2S 0.12953 -0.01794 0.14408 -0.00390 -0.01704 37 2PX -0.06562 -0.20077 -0.00680 0.03324 -0.07922 38 2PY 0.02134 -0.00505 0.00369 -0.02440 0.05938 39 2PZ -0.00068 0.12019 -0.00527 -0.04749 0.00891 40 3S -0.93929 -0.03075 -1.20626 -0.35541 -0.73488 41 3PX -1.87114 -1.82692 0.28225 0.55315 -0.49643 42 3PY -0.46280 -0.03958 -1.29379 -0.37642 -1.41637 43 3PZ 1.17022 1.21606 -0.19345 -0.28857 0.16800 44 4XX -0.03414 -0.17768 0.07428 0.08024 -0.08258 45 4YY -0.06211 0.03066 -0.03925 -0.04068 0.02639 46 4ZZ 0.04659 0.13958 -0.05519 0.01705 0.03784 47 4XY 0.08117 -0.13503 -0.14343 0.03822 0.08913 48 4XZ -0.11572 -0.13071 -0.04109 0.16401 -0.13923 49 4YZ -0.03978 0.14133 -0.05558 -0.05270 0.00014 50 6 C 1S -0.01274 -0.03970 -0.02480 -0.00386 -0.03337 51 2S -0.55284 -0.51717 -0.12417 0.21063 -0.77605 52 2PX 0.04861 -0.03599 0.03777 0.02979 0.05838 53 2PY -0.11828 -0.19552 0.15217 0.04684 -0.00273 54 2PZ -0.10339 -0.02021 -0.04330 0.04469 -0.12948 55 3S 2.13237 1.96114 1.82098 -0.31026 3.47672 56 3PX -1.40545 -0.68075 -0.94695 -0.02154 -0.67729 57 3PY -0.78551 -0.42045 1.02739 0.10028 1.02639 58 3PZ 0.98629 0.64098 0.79372 -0.06144 1.45693 59 4XX 0.10145 -0.06129 0.06521 0.04920 0.14617 60 4YY -0.19657 0.17498 0.19656 -0.11202 -0.06363 61 4ZZ 0.16857 -0.09841 -0.24409 -0.01343 0.05154 62 4XY -0.23111 0.25461 -0.29342 -0.01966 -0.03636 63 4XZ -0.18860 -0.18407 0.11988 0.05903 0.13728 64 4YZ -0.16610 -0.22519 -0.35319 0.01426 0.02525 65 7 H 1S -0.06751 0.08587 0.32661 0.04902 0.08800 66 2S 0.17722 0.10171 0.29124 -0.01609 0.37169 67 8 C 1S 0.01274 -0.03971 0.02480 -0.00385 0.03337 68 2S 0.55284 -0.51719 0.12401 0.21071 0.77604 69 2PX -0.04862 -0.03598 -0.03779 0.02977 -0.05837 70 2PY -0.11827 0.19552 0.15221 -0.04674 -0.00273 71 2PZ 0.10339 -0.02021 0.04327 0.04472 0.12948 72 3S -2.13233 1.96125 -1.82073 -0.31143 -3.47667 73 3PX 1.40541 -0.68074 0.94697 -0.02093 0.67731 74 3PY -0.78554 0.42050 1.02744 -0.09962 1.02640 75 3PZ -0.98628 0.64100 -0.79367 -0.06195 -1.45693 76 4XX -0.10143 -0.06131 -0.06524 0.04916 -0.14617 77 4YY 0.19657 0.17499 -0.19647 -0.11215 0.06364 78 4ZZ -0.16859 -0.09840 0.24409 -0.01327 -0.05155 79 4XY -0.23112 -0.25460 -0.29344 0.01946 -0.03636 80 4XZ 0.18861 -0.18407 -0.11993 0.05896 -0.13727 81 4YZ -0.16612 0.22519 -0.35316 -0.01450 0.02525 82 9 H 1S 0.06753 0.08585 -0.32663 0.04881 -0.08800 83 2S -0.17723 0.10170 -0.29123 -0.01628 -0.37170 84 10 C 1S -0.00354 -0.00394 -0.01169 0.02052 0.00080 85 2S -0.12953 -0.01794 -0.14408 -0.00399 0.01703 86 2PX 0.06561 -0.20077 0.00678 0.03325 0.07922 87 2PY 0.02134 0.00506 0.00368 0.02441 0.05938 88 2PZ 0.00069 0.12019 0.00530 -0.04748 -0.00891 89 3S 0.93928 -0.03077 1.20645 -0.35465 0.73495 90 3PX 1.87108 -1.82697 -0.28268 0.55297 0.49628 91 3PY -0.46286 0.03963 -1.29404 0.37555 -1.41649 92 3PZ -1.17020 1.21610 0.19366 -0.28844 -0.16794 93 4XX 0.03419 -0.17768 -0.07434 0.08020 0.08259 94 4YY 0.06210 0.03065 0.03929 -0.04066 -0.02639 95 4ZZ -0.04663 0.13958 0.05518 0.01708 -0.03786 96 4XY 0.08118 0.13503 -0.14340 -0.03831 0.08914 97 4XZ 0.11573 -0.13071 0.04099 0.16403 0.13920 98 4YZ -0.03978 -0.14133 -0.05561 0.05266 0.00013 99 11 O 1S 0.00134 0.00137 0.00987 0.00090 0.00461 100 2S 0.04375 -0.01269 0.17799 0.09531 0.18897 101 2PX -0.05297 -0.07949 0.00771 0.02234 -0.00868 102 2PY 0.02057 -0.01608 0.02812 0.03115 -0.01422 103 2PZ 0.03313 0.05600 0.00533 -0.00178 0.00449 104 3S -0.15470 -0.05206 -0.75845 -0.25755 -0.91360 105 3PX 0.39699 0.43272 -0.13628 -0.13796 0.06355 106 3PY -0.02320 -0.02019 -0.14532 -0.06751 -0.16722 107 3PZ -0.23552 -0.28809 -0.02221 0.04069 -0.06289 108 4XX 0.07660 0.09974 -0.01667 -0.00471 -0.01539 109 4YY -0.02002 -0.02451 0.05908 0.01200 0.08901 110 4ZZ -0.03129 -0.07794 0.04791 0.01663 -0.05407 111 4XY 0.36592 0.26904 -0.19799 -0.06681 0.09148 112 4XZ 0.05869 0.03487 -0.02264 -0.04041 0.01990 113 4YZ -0.17775 -0.15529 -0.03570 0.02554 -0.02688 114 12 O 1S -0.00134 0.00137 -0.00987 0.00090 -0.00461 115 2S -0.04375 -0.01269 -0.17806 0.09519 -0.18900 116 2PX 0.05297 -0.07949 -0.00773 0.02234 0.00867 117 2PY 0.02057 0.01608 0.02814 -0.03114 -0.01421 118 2PZ -0.03313 0.05600 -0.00533 -0.00178 -0.00449 119 3S 0.15470 -0.05206 0.75864 -0.25704 0.91366 120 3PX -0.39698 0.43274 0.13637 -0.13786 -0.06353 121 3PY -0.02319 0.02018 -0.14537 0.06742 -0.16724 122 3PZ 0.23551 -0.28810 0.02218 0.04071 0.06288 123 4XX -0.07660 0.09973 0.01666 -0.00469 0.01539 124 4YY 0.02000 -0.02450 -0.05908 0.01196 -0.08901 125 4ZZ 0.03131 -0.07794 -0.04792 0.01660 0.05407 126 4XY 0.36591 -0.26906 -0.19804 0.06669 0.09146 127 4XZ -0.05870 0.03488 0.02266 -0.04039 -0.01989 128 4YZ -0.17774 0.15529 -0.03568 -0.02556 -0.02687 129 13 C 1S -0.00161 0.00485 -0.00477 0.00342 0.05211 130 2S -0.07745 0.02818 0.18862 0.04650 0.76497 131 2PX -0.03507 0.02267 -0.03833 -0.02288 -0.07548 132 2PY -0.05865 0.05406 0.04846 -0.01903 0.11515 133 2PZ 0.05413 0.03557 0.03252 0.02771 -0.04893 134 3S -0.61825 -0.07547 -0.48766 -0.36067 -2.23884 135 3PX -0.16096 -0.24543 0.27721 0.07298 0.19883 136 3PY -0.18342 -0.09707 -0.18139 0.06524 -1.15575 137 3PZ 0.09107 0.28298 0.05920 0.13630 0.30281 138 4XX -0.02068 0.06016 0.17821 0.08196 -0.26871 139 4YY 0.12184 -0.05843 -0.08709 -0.20343 -0.19043 140 4ZZ -0.11788 0.00368 -0.15608 0.09497 0.36276 141 4XY -0.02859 0.03169 0.16830 0.23761 0.15337 142 4XZ -0.19731 -0.04619 0.00553 0.09449 0.00759 143 4YZ -0.11088 0.10516 0.16350 0.25319 0.10488 144 14 C 1S -0.01863 -0.01344 0.00246 -0.00947 0.00304 145 2S -0.38720 -0.23818 -0.23386 -0.26570 -0.02650 146 2PX 0.09334 0.05391 0.04738 0.05317 -0.06035 147 2PY -0.00333 -0.05675 0.01785 -0.06228 -0.02949 148 2PZ -0.05058 -0.03372 -0.03591 -0.04273 0.01442 149 3S 1.62528 0.50328 0.56897 0.34546 1.03772 150 3PX -0.64824 -0.28107 -0.47196 -0.24606 -0.56111 151 3PY 0.61192 0.07406 0.25665 0.03622 0.18851 152 3PZ 0.48340 0.13938 -0.07456 0.07887 0.21267 153 4XX 0.03776 0.05106 0.33921 0.12610 -0.09269 154 4YY -0.00764 0.05515 -0.01649 0.09445 -0.08892 155 4ZZ -0.00162 -0.10367 -0.25449 -0.19487 0.19344 156 4XY 0.05796 -0.05582 -0.07206 0.00521 -0.27711 157 4XZ -0.08892 -0.09989 0.17971 -0.08696 0.00686 158 4YZ 0.05981 0.04884 -0.10655 0.01210 -0.41265 159 15 C 1S 0.01863 -0.01344 -0.00246 -0.00947 -0.00304 160 2S 0.38719 -0.23816 0.23404 -0.26555 0.02649 161 2PX -0.09334 0.05390 -0.04742 0.05314 0.06035 162 2PY -0.00332 0.05675 0.01781 0.06229 -0.02949 163 2PZ 0.05059 -0.03372 0.03593 -0.04270 -0.01442 164 3S -1.62526 0.50328 -0.56920 0.34516 -1.03769 165 3PX 0.64824 -0.28108 0.47212 -0.24578 0.56109 166 3PY 0.61190 -0.07404 0.25667 -0.03608 0.18850 167 3PZ -0.48339 0.13937 0.07452 0.07894 -0.21266 168 4XX -0.03778 0.05107 -0.33930 0.12588 0.09270 169 4YY 0.00764 0.05514 0.01643 0.09446 0.08892 170 4ZZ 0.00163 -0.10367 0.25463 -0.19470 -0.19344 171 4XY 0.05797 0.05584 -0.07206 -0.00526 -0.27710 172 4XZ 0.08892 -0.09988 -0.17966 -0.08707 -0.00686 173 4YZ 0.05981 -0.04882 -0.10654 -0.01218 -0.41265 174 16 C 1S 0.00161 0.00485 0.00477 0.00343 -0.05211 175 2S 0.07748 0.02822 -0.18865 0.04639 -0.76496 176 2PX 0.03507 0.02267 0.03835 -0.02285 0.07548 177 2PY -0.05866 -0.05407 0.04844 0.01906 0.11515 178 2PZ -0.05413 0.03556 -0.03253 0.02769 0.04893 179 3S 0.61821 -0.07556 0.48792 -0.36039 2.23881 180 3PX 0.16095 -0.24543 -0.27727 0.07279 -0.19886 181 3PY -0.18338 0.09714 -0.18134 -0.06532 -1.15572 182 3PZ -0.09108 0.28301 -0.05929 0.13627 -0.30280 183 4XX 0.02066 0.06017 -0.17827 0.08184 0.26872 184 4YY -0.12184 -0.05845 0.08723 -0.20336 0.19042 185 4ZZ 0.11789 0.00370 0.15602 0.09506 -0.36276 186 4XY -0.02859 -0.03170 0.16846 -0.23750 0.15338 187 4XZ 0.19731 -0.04618 -0.00559 0.09448 -0.00759 188 4YZ -0.11086 -0.10518 0.16366 -0.25308 0.10488 189 17 H 1S -0.09630 0.03000 0.07518 0.16760 0.12249 190 2S 0.03505 -0.09312 -0.02726 0.00987 -0.32127 191 18 H 1S 0.00426 -0.07352 0.08578 -0.04546 0.06340 192 2S 0.24860 0.10548 0.05600 0.07698 0.07438 193 19 H 1S -0.00426 -0.07351 -0.08575 -0.04552 -0.06341 194 2S -0.24860 0.10548 -0.05605 0.07696 -0.07437 195 20 H 1S 0.09629 0.03001 -0.07530 0.16754 -0.12249 196 2S -0.03506 -0.09315 0.02725 0.00988 0.32127 197 21 C 1S 0.00000 0.03914 0.00000 0.00382 0.00000 198 2S 0.00000 0.52144 0.00005 -0.12621 0.00002 199 2PX 0.00000 -0.00770 -0.00003 0.08425 0.00000 200 2PY -0.03029 0.00000 -0.00217 0.00000 -0.09671 201 2PZ 0.00000 -0.04850 0.00000 -0.00664 0.00000 202 3S 0.00003 -1.37387 -0.00009 0.20966 -0.00002 203 3PX 0.00001 0.35873 0.00008 -0.18721 0.00002 204 3PY -0.00760 0.00001 -0.14737 -0.00005 -0.50122 205 3PZ 0.00000 0.31661 0.00001 0.01885 0.00001 206 4XX 0.00000 -0.17746 0.00016 -0.46005 0.00000 207 4YY -0.00001 -0.02768 0.00002 -0.08764 0.00000 208 4ZZ 0.00000 0.16108 -0.00020 0.60317 0.00000 209 4XY -0.20429 -0.00001 0.15711 0.00005 0.24500 210 4XZ 0.00001 0.20084 -0.00020 0.63971 0.00000 211 4YZ -0.07328 -0.00001 -0.03493 -0.00001 0.21768 212 22 H 1S 0.00000 0.26325 -0.00015 0.46095 0.00001 213 2S 0.00000 0.37984 0.00016 -0.45791 0.00001 214 23 H 1S -0.00001 -0.07085 0.00013 -0.39839 0.00000 215 2S 0.00000 -0.01815 -0.00006 0.15497 -0.00001 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 0.00957 0.00600 0.03541 0.04325 0.02773 2 2S 0.10403 0.10469 0.12077 0.04456 0.21508 3 2PX -0.00826 0.03028 -0.10576 -0.01745 -0.02739 4 2PY -0.06189 -0.05949 -0.15056 0.19596 -0.01839 5 2PZ 0.03708 0.01273 0.07274 0.01941 -0.03203 6 3S -0.25993 0.04298 -0.82262 -1.23731 -1.43931 7 3PX -0.15486 -0.12663 -0.51709 -0.12001 -0.64862 8 3PY 0.02619 -0.72778 0.16165 0.72625 0.02913 9 3PZ 0.09465 0.21690 0.37896 0.11582 0.48820 10 4XX 0.02304 -0.18113 -0.06861 -0.01412 0.04926 11 4YY -0.04527 0.09324 0.00711 -0.35129 -0.00295 12 4ZZ 0.00845 0.11148 0.08904 0.34975 -0.04902 13 4XY -0.04719 -0.21172 -0.10455 0.09808 0.32609 14 4XZ 0.07507 0.06879 0.26445 0.20517 0.23733 15 4YZ 0.06475 -0.26596 0.06527 -0.26372 0.28899 16 2 H 1S -0.01769 0.07995 0.01272 0.19595 0.11129 17 2S -0.03288 0.05186 -0.16389 -0.19251 -0.18823 18 3 C 1S 0.00957 -0.00600 0.03541 -0.04325 -0.02773 19 2S 0.10401 -0.10472 0.12077 -0.04457 -0.21506 20 2PX -0.00826 -0.03027 -0.10576 0.01745 0.02740 21 2PY 0.06188 -0.05951 0.15056 0.19596 -0.01840 22 2PZ 0.03707 -0.01274 0.07274 -0.01941 0.03203 23 3S -0.25995 -0.04290 -0.82267 1.23733 1.43928 24 3PX -0.15484 0.12666 -0.51711 0.12004 0.64860 25 3PY -0.02638 -0.72778 -0.16165 0.72625 0.02913 26 3PZ 0.09460 -0.21693 0.37897 -0.11583 -0.48819 27 4XX 0.02309 0.18111 -0.06860 0.01413 -0.04926 28 4YY -0.04530 -0.09321 0.00711 0.35127 0.00296 29 4ZZ 0.00842 -0.11149 0.08903 -0.34975 0.04900 30 4XY 0.04713 -0.21174 0.10454 0.09809 0.32608 31 4XZ 0.07506 -0.06882 0.26445 -0.20519 -0.23730 32 4YZ -0.06482 -0.26593 -0.06530 -0.26371 0.28901 33 4 H 1S -0.01771 -0.07994 0.01272 -0.19596 -0.11127 34 2S -0.03289 -0.05185 -0.16389 0.19252 0.18821 35 5 C 1S -0.03278 0.00638 -0.10132 -0.00090 0.01827 36 2S -0.04015 0.04554 -0.47001 -0.11519 0.07228 37 2PX 0.01130 0.03319 0.01965 -0.00080 0.04035 38 2PY 0.04629 -0.06222 0.11337 -0.02370 -0.05358 39 2PZ 0.03789 -0.00534 -0.04167 0.05861 0.02044 40 3S 0.79268 0.09978 2.67718 0.30065 -0.43850 41 3PX 0.13259 0.80673 0.60045 0.07608 0.72750 42 3PY 0.18375 0.46262 1.49406 0.35841 -0.26583 43 3PZ -0.05300 -0.39414 -0.23542 0.11733 -0.37185 44 4XX 0.05841 0.19295 0.02168 0.12812 -0.27956 45 4YY 0.05898 -0.03284 0.21189 0.07613 -0.01150 46 4ZZ -0.20702 -0.14330 -0.34242 -0.17939 0.32066 47 4XY -0.01755 -0.08383 0.13447 0.08284 -0.03820 48 4XZ -0.14315 0.08743 -0.50529 0.06308 -0.05992 49 4YZ -0.02253 -0.05109 0.16964 -0.36892 -0.23044 50 6 C 1S 0.01063 0.04662 0.04785 0.05094 0.02221 51 2S 0.20816 0.67025 0.35081 0.15413 0.34808 52 2PX 0.08673 0.01536 0.12312 0.03478 -0.01297 53 2PY 0.05536 0.00756 0.21655 -0.19760 -0.02321 54 2PZ 0.02759 0.03717 -0.05981 0.02178 0.03869 55 3S -0.49250 -2.90238 -1.89784 -2.08819 -1.32967 56 3PX 0.14073 -0.16726 0.82219 0.47812 0.05370 57 3PY 0.07543 -0.33162 0.16074 -1.24146 -0.12489 58 3PZ -0.19606 -0.72675 -0.61205 -0.47652 -0.44242 59 4XX 0.04103 -0.02110 -0.10589 0.17339 -0.17352 60 4YY -0.03977 0.04725 -0.05247 -0.42737 -0.05204 61 4ZZ -0.03676 -0.09752 0.13643 0.21368 0.14303 62 4XY -0.04343 -0.04170 -0.18989 0.32100 -0.12997 63 4XZ 0.09634 -0.05328 0.34271 0.20800 -0.08965 64 4YZ 0.04589 -0.09564 0.13180 -0.09354 -0.41213 65 7 H 1S 0.04279 0.18001 0.00014 0.09915 0.11228 66 2S -0.07189 -0.01083 -0.10446 -0.34705 -0.11125 67 8 C 1S 0.01062 -0.04663 0.04785 -0.05094 -0.02221 68 2S 0.20799 -0.67030 0.35078 -0.15413 -0.34806 69 2PX 0.08673 -0.01538 0.12311 -0.03479 0.01296 70 2PY -0.05536 0.00758 -0.21656 -0.19760 -0.02321 71 2PZ 0.02758 -0.03718 -0.05982 -0.02178 -0.03869 72 3S -0.49177 2.90252 -1.89769 2.08824 1.32963 73 3PX 0.14077 0.16723 0.82216 -0.47816 -0.05367 74 3PY -0.07553 -0.33159 -0.16086 -1.24144 -0.12487 75 3PZ -0.19587 0.72681 -0.61201 0.47654 0.44239 76 4XX 0.04104 0.02109 -0.10588 -0.17337 0.17348 77 4YY -0.03979 -0.04724 -0.05246 0.42735 0.05206 78 4ZZ -0.03674 0.09753 0.13642 -0.21368 -0.14303 79 4XY 0.04341 -0.04170 0.18990 0.32101 -0.12998 80 4XZ 0.09635 0.05326 0.34271 -0.20802 0.08966 81 4YZ -0.04592 -0.09563 -0.13181 -0.09354 -0.41213 82 9 H 1S 0.04275 -0.18002 0.00015 -0.09917 -0.11228 83 2S -0.07188 0.01084 -0.10444 0.34706 0.11124 84 10 C 1S -0.03278 -0.00637 -0.10132 0.00091 -0.01828 85 2S -0.04016 -0.04553 -0.47001 0.11522 -0.07231 86 2PX 0.01129 -0.03319 0.01964 0.00080 -0.04034 87 2PY -0.04630 -0.06221 -0.11338 -0.02370 -0.05359 88 2PZ 0.03789 0.00533 -0.04168 -0.05861 -0.02043 89 3S 0.79267 -0.09999 2.67716 -0.30072 0.43854 90 3PX 0.13240 -0.80674 0.60042 -0.07609 -0.72748 91 3PY -0.18362 0.46271 -1.49401 0.35847 -0.26588 92 3PZ -0.05291 0.39415 -0.23544 -0.11733 0.37188 93 4XX 0.05836 -0.19297 0.02166 -0.12810 0.27951 94 4YY 0.05898 0.03284 0.21190 -0.07616 0.01158 95 4ZZ -0.20698 0.14336 -0.34240 0.17941 -0.32070 96 4XY 0.01753 -0.08382 -0.13447 0.08284 -0.03817 97 4XZ -0.14317 -0.08738 -0.50530 -0.06308 0.05992 98 4YZ 0.02252 -0.05109 -0.16964 -0.36894 -0.23038 99 11 O 1S 0.00663 0.00066 0.00904 -0.00133 -0.00039 100 2S -0.03234 -0.03057 -0.29676 -0.05838 0.07279 101 2PX -0.00769 0.02195 0.00989 0.02084 0.02084 102 2PY -0.03656 0.01885 -0.12539 -0.01716 0.02456 103 2PZ -0.00901 -0.00616 -0.02012 -0.01170 -0.01114 104 3S -0.08198 0.26131 0.57449 0.21374 -0.14363 105 3PX -0.02377 -0.16675 -0.08228 -0.04508 -0.19603 106 3PY -0.01549 0.03126 0.14991 0.06115 -0.04235 107 3PZ -0.00340 0.06519 0.12570 -0.12060 -0.00272 108 4XX -0.03715 -0.02040 -0.06366 -0.05360 0.10376 109 4YY 0.04025 -0.05089 0.06445 0.04059 0.00331 110 4ZZ 0.02784 0.09059 0.01529 -0.00208 -0.10271 111 4XY -0.03300 -0.12223 -0.00210 0.06386 -0.16201 112 4XZ 0.01102 -0.03112 0.10130 -0.04282 0.00931 113 4YZ -0.05799 -0.00617 0.13731 -0.35544 -0.15039 114 12 O 1S 0.00663 -0.00066 0.00904 0.00133 0.00039 115 2S -0.03233 0.03057 -0.29676 0.05841 -0.07284 116 2PX -0.00770 -0.02195 0.00989 -0.02084 -0.02084 117 2PY 0.03656 0.01885 0.12539 -0.01717 0.02459 118 2PZ -0.00900 0.00617 -0.02012 0.01171 0.01114 119 3S -0.08206 -0.26130 0.57445 -0.21378 0.14374 120 3PX -0.02373 0.16676 -0.08229 0.04508 0.19601 121 3PY 0.01550 0.03125 -0.14990 0.06117 -0.04240 122 3PZ -0.00342 -0.06519 0.12570 0.12060 0.00269 123 4XX -0.03714 0.02040 -0.06366 0.05361 -0.10379 124 4YY 0.04026 0.05089 0.06445 -0.04060 -0.00328 125 4ZZ 0.02781 -0.09060 0.01529 0.00208 0.10269 126 4XY 0.03297 -0.12223 0.00211 0.06384 -0.16196 127 4XZ 0.01103 0.03111 0.10130 0.04281 -0.00932 128 4YZ 0.05799 -0.00618 -0.13732 -0.35545 -0.15033 129 13 C 1S 0.06908 -0.04743 -0.01492 -0.01532 -0.02163 130 2S 0.12619 -0.99852 -0.01291 0.08100 -0.43434 131 2PX -0.05781 0.00506 -0.06339 0.00381 0.04424 132 2PY -0.17532 -0.22060 0.00787 0.04129 -0.12112 133 2PZ -0.06307 0.02025 0.05348 -0.02633 -0.04183 134 3S -2.35365 2.26877 0.43301 0.38828 1.33086 135 3PX -0.09951 -0.01187 0.10911 0.09373 0.25378 136 3PY -1.03748 1.32993 0.33853 0.25075 0.84484 137 3PZ -0.08758 -0.71574 -0.09663 0.10283 -0.44470 138 4XX 0.27973 -0.18182 -0.15410 0.02094 0.06775 139 4YY -0.32570 0.11078 0.08378 0.01319 -0.00358 140 4ZZ 0.10986 0.22017 0.03097 -0.08398 -0.00166 141 4XY -0.03440 -0.07532 -0.02671 0.01986 0.03605 142 4XZ 0.45258 -0.13440 -0.01494 -0.03209 -0.10206 143 4YZ -0.22000 -0.21053 0.12411 0.04883 -0.16327 144 14 C 1S -0.02725 -0.00729 0.00625 0.00807 0.03437 145 2S -0.10328 -0.20834 0.17821 0.06900 -0.07947 146 2PX -0.09005 0.10916 -0.03192 0.00209 0.09291 147 2PY -0.09341 -0.01523 0.02771 0.01875 -0.13429 148 2PZ 0.05535 -0.04258 0.01693 -0.00628 -0.03811 149 3S 0.89835 -0.86734 -0.39633 -0.52405 -1.77724 150 3PX -0.47291 0.44178 0.19227 0.16863 0.47861 151 3PY 0.07948 -0.05779 -0.07378 -0.21293 -0.60852 152 3PZ 0.29826 -0.27381 -0.06706 -0.22985 -0.40571 153 4XX 0.16359 -0.25404 -0.02503 0.03096 0.08990 154 4YY -0.01326 0.00548 -0.04743 0.02151 -0.25697 155 4ZZ -0.17099 0.25991 0.06397 -0.05353 0.19783 156 4XY 0.03746 -0.25027 0.03042 0.01731 -0.01709 157 4XZ -0.24069 -0.23745 -0.01983 0.11441 0.07651 158 4YZ -0.00076 -0.24933 -0.04741 -0.01374 -0.04738 159 15 C 1S -0.02725 0.00729 0.00625 -0.00807 -0.03437 160 2S -0.10323 0.20838 0.17821 -0.06900 0.07948 161 2PX -0.09008 -0.10915 -0.03192 -0.00208 -0.09292 162 2PY 0.09341 -0.01525 -0.02771 0.01875 -0.13429 163 2PZ 0.05536 0.04257 0.01693 0.00627 0.03812 164 3S 0.89849 0.86713 -0.39631 0.52405 1.77725 165 3PX -0.47299 -0.44167 0.19226 -0.16863 -0.47861 166 3PY -0.07947 -0.05777 0.07377 -0.21293 -0.60851 167 3PZ 0.29831 0.27375 -0.06706 0.22985 0.40572 168 4XX 0.16364 0.25400 -0.02504 -0.03096 -0.08990 169 4YY -0.01327 -0.00548 -0.04743 -0.02151 0.25697 170 4ZZ -0.17103 -0.25987 0.06398 0.05353 -0.19782 171 4XY -0.03752 -0.25026 -0.03041 0.01731 -0.01710 172 4XZ -0.24062 0.23750 -0.01983 -0.11441 -0.07653 173 4YZ 0.00071 -0.24933 0.04742 -0.01374 -0.04738 174 16 C 1S 0.06909 0.04742 -0.01492 0.01532 0.02164 175 2S 0.12643 0.99851 -0.01289 -0.08100 0.43434 176 2PX -0.05781 -0.00505 -0.06340 -0.00381 -0.04425 177 2PY 0.17526 -0.22064 -0.00787 0.04129 -0.12111 178 2PZ -0.06308 -0.02024 0.05348 0.02632 0.04184 179 3S -2.35418 -2.26827 0.43296 -0.38829 -1.33088 180 3PX -0.09948 0.01189 0.10913 -0.09372 -0.25379 181 3PY 1.03779 1.32970 -0.33851 0.25076 0.84483 182 3PZ -0.08742 0.71577 -0.09664 -0.10283 0.44470 183 4XX 0.27977 0.18175 -0.15412 -0.02094 -0.06776 184 4YY -0.32572 -0.11069 0.08378 -0.01319 0.00359 185 4ZZ 0.10982 -0.22021 0.03099 0.08397 0.00166 186 4XY 0.03438 -0.07532 0.02671 0.01985 0.03605 187 4XZ 0.45261 0.13430 -0.01494 0.03209 0.10207 188 4YZ 0.21995 -0.21058 -0.12411 0.04884 -0.16328 189 17 H 1S 0.16791 -0.06697 0.00851 0.00361 0.00659 190 2S -0.17634 0.40709 0.11780 0.05477 0.24432 191 18 H 1S -0.06335 -0.10278 0.02286 0.02736 0.01909 192 2S 0.12315 -0.06370 -0.03187 -0.09714 -0.18552 193 19 H 1S -0.06333 0.10279 0.02286 -0.02735 -0.01909 194 2S 0.12315 0.06367 -0.03187 0.09714 0.18552 195 20 H 1S 0.16793 0.06693 0.00851 -0.00361 -0.00659 196 2S -0.17644 -0.40705 0.11779 -0.05477 -0.24431 197 21 C 1S -0.09095 0.00001 0.00976 0.00000 0.00000 198 2S -0.25821 0.00002 -0.12695 -0.00001 -0.00001 199 2PX 0.12986 -0.00002 -0.04453 0.00000 0.00000 200 2PY 0.00002 0.14840 0.00000 0.03016 0.02592 201 2PZ -0.23380 0.00003 0.09937 0.00000 0.00000 202 3S 2.91907 -0.00031 -0.25394 0.00002 0.00000 203 3PX 0.23407 -0.00002 -0.04602 -0.00001 0.00000 204 3PY 0.00002 0.14674 0.00001 0.20587 -0.05671 205 3PZ -1.39080 0.00015 0.18193 -0.00001 0.00001 206 4XX -0.55100 0.00007 0.04771 0.00000 0.00000 207 4YY 0.34722 -0.00004 -0.14211 0.00001 0.00000 208 4ZZ 0.11257 -0.00002 0.10906 0.00000 0.00000 209 4XY -0.00002 -0.15330 0.00000 0.08875 -0.13336 210 4XZ -0.53606 0.00006 0.31425 0.00000 0.00001 211 4YZ 0.00001 0.10460 0.00000 -0.09184 0.16475 212 22 H 1S -0.07974 0.00001 0.07844 0.00000 0.00000 213 2S 0.01939 0.00000 -0.05402 0.00000 -0.00001 214 23 H 1S 0.24428 -0.00003 -0.19384 0.00000 0.00000 215 2S 0.08081 -0.00001 0.02837 0.00000 0.00000 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 0.00160 -0.00990 -0.02416 -0.03329 -0.00451 2 2S 0.03908 0.00377 0.11288 -0.27465 -0.04682 3 2PX 0.02253 0.00589 0.11430 -0.00599 0.01300 4 2PY 0.02816 -0.09234 0.16031 0.03039 0.02158 5 2PZ -0.01044 0.01111 -0.09833 -0.01504 -0.01716 6 3S -0.23751 0.38455 0.13690 1.64475 0.13404 7 3PX -0.11871 0.05654 -0.04296 0.81759 0.09254 8 3PY -0.05668 -0.17509 0.02089 0.02160 -0.01421 9 3PZ 0.07052 -0.03352 0.02755 -0.59715 -0.02680 10 4XX 0.00236 -0.08022 -0.21874 -0.02560 0.02311 11 4YY 0.05756 0.15319 0.16881 -0.02869 0.00419 12 4ZZ -0.08258 -0.05536 -0.10655 0.05752 -0.01300 13 4XY 0.05218 -0.09820 0.18333 -0.04166 0.01981 14 4XZ 0.10631 -0.00969 0.05486 -0.30426 -0.02857 15 4YZ -0.04235 -0.05638 -0.15217 -0.05766 -0.00623 16 2 H 1S 0.07235 -0.02134 0.13371 -0.09178 -0.00457 17 2S -0.04964 0.03996 -0.11117 0.19953 0.01114 18 3 C 1S 0.00161 0.00990 -0.02416 0.03329 -0.00450 19 2S 0.03912 -0.00378 0.11291 0.27465 -0.04675 20 2PX 0.02253 -0.00591 0.11429 0.00599 0.01299 21 2PY -0.02814 -0.09232 -0.16031 0.03039 -0.02159 22 2PZ -0.01044 -0.01109 -0.09834 0.01504 -0.01715 23 3S -0.23772 -0.38458 0.13666 -1.64473 0.13328 24 3PX -0.11883 -0.05655 -0.04309 -0.81758 0.09226 25 3PY 0.05671 -0.17509 -0.02090 0.02162 0.01403 26 3PZ 0.07061 0.03352 0.02764 0.59714 -0.02658 27 4XX 0.00235 0.08025 -0.21875 0.02560 0.02312 28 4YY 0.05760 -0.15321 0.16882 0.02869 0.00416 29 4ZZ -0.08261 0.05537 -0.10656 -0.05752 -0.01298 30 4XY -0.05220 -0.09818 -0.18333 -0.04167 -0.01982 31 4XZ 0.10635 0.00969 0.05489 0.30426 -0.02849 32 4YZ 0.04231 -0.05640 0.15213 -0.05767 0.00625 33 4 H 1S 0.07236 0.02132 0.13371 0.09178 -0.00454 34 2S -0.04966 -0.03995 -0.11120 -0.19953 0.01106 35 5 C 1S -0.01443 0.00400 -0.00875 -0.03223 0.02268 36 2S -0.17157 -0.04783 -0.11824 -0.13174 0.20098 37 2PX 0.08223 -0.03159 -0.00292 0.01344 0.00102 38 2PY 0.01345 -0.00845 0.01072 0.11611 -0.04031 39 2PZ 0.09853 -0.01562 -0.02679 0.08876 0.00793 40 3S 0.22688 0.33267 -0.41409 1.04671 -0.87389 41 3PX 0.05061 -0.00467 0.05065 -0.48247 -0.31083 42 3PY 0.30512 -0.10480 0.29484 0.34093 -0.16210 43 3PZ 0.24938 -0.00781 -0.06712 0.48080 0.07494 44 4XX -0.17144 0.08893 -0.36771 -0.00205 -0.01768 45 4YY 0.29498 -0.01064 0.47840 0.13594 -0.05283 46 4ZZ -0.11890 -0.07059 -0.16033 -0.16739 0.06560 47 4XY -0.33839 0.02738 0.16790 -0.32074 -0.00749 48 4XZ -0.04323 0.09646 0.39019 -0.13767 0.08530 49 4YZ -0.51917 0.14249 0.16815 -0.27925 0.01113 50 6 C 1S -0.00025 -0.00572 -0.01338 -0.03638 -0.01570 51 2S 0.00325 -0.10913 0.16533 -0.25826 -0.09257 52 2PX -0.00320 -0.08475 -0.10524 0.03512 -0.00881 53 2PY -0.00641 -0.04209 -0.16073 0.10808 -0.04059 54 2PZ 0.01046 0.01071 0.08291 -0.00595 0.00574 55 3S -0.01474 0.34668 -0.09647 1.46548 0.61060 56 3PX 0.08550 0.28251 0.05202 0.20056 -0.20417 57 3PY -0.10470 0.21359 0.05487 0.46923 -0.13026 58 3PZ -0.08424 -0.20784 -0.08688 0.16130 0.19959 59 4XX -0.16230 0.13454 -0.09985 -0.20778 0.01019 60 4YY 0.05343 -0.04010 0.17614 0.23411 0.00411 61 4ZZ 0.09795 -0.08464 -0.20713 0.01917 -0.02240 62 4XY 0.03087 0.14115 0.18884 0.00702 0.05915 63 4XZ 0.00921 -0.07547 0.10785 -0.02262 -0.04117 64 4YZ -0.02609 0.11902 -0.12069 0.25064 -0.01669 65 7 H 1S -0.02827 -0.09323 0.14929 -0.19245 -0.00332 66 2S -0.05609 -0.05741 -0.08948 0.05111 0.02294 67 8 C 1S -0.00025 0.00572 -0.01338 0.03638 -0.01570 68 2S 0.00326 0.10910 0.16535 0.25827 -0.09259 69 2PX -0.00321 0.08477 -0.10523 -0.03512 -0.00880 70 2PY 0.00641 -0.04212 0.16074 0.10808 0.04060 71 2PZ 0.01047 -0.01073 0.08291 0.00595 0.00575 72 3S -0.01470 -0.34669 -0.09643 -1.46548 0.61098 73 3PX 0.08547 -0.28251 0.05188 -0.20056 -0.20438 74 3PY 0.10464 0.21360 -0.05485 0.46924 0.13017 75 3PZ -0.08424 0.20784 -0.08680 -0.16130 0.19979 76 4XX -0.16231 -0.13453 -0.09988 0.20778 0.01024 77 4YY 0.05343 0.04007 0.17615 -0.23411 0.00408 78 4ZZ 0.09795 0.08469 -0.20710 -0.01918 -0.02243 79 4XY -0.03084 0.14119 -0.18880 0.00701 -0.05915 80 4XZ 0.00918 0.07545 0.10784 0.02262 -0.04116 81 4YZ 0.02615 0.11900 0.12073 0.25064 0.01672 82 9 H 1S -0.02826 0.09321 0.14931 0.19245 -0.00327 83 2S -0.05609 0.05742 -0.08945 -0.05111 0.02298 84 10 C 1S -0.01442 -0.00400 -0.00874 0.03223 0.02269 85 2S -0.17155 0.04784 -0.11820 0.13174 0.20107 86 2PX 0.08223 0.03159 -0.00291 -0.01344 0.00101 87 2PY -0.01343 -0.00845 -0.01070 0.11611 0.04034 88 2PZ 0.09853 0.01564 -0.02679 -0.08876 0.00792 89 3S 0.22672 -0.33257 -0.41438 -1.04673 -0.87449 90 3PX 0.05069 0.00469 0.05067 0.48249 -0.31079 91 3PY -0.30500 -0.10478 -0.29474 0.34093 0.16246 92 3PZ 0.24932 0.00784 -0.06714 -0.48080 0.07484 93 4XX -0.17146 -0.08888 -0.36774 0.00203 -0.01767 94 4YY 0.29496 0.01058 0.47839 -0.13593 -0.05287 95 4ZZ -0.11885 0.07061 -0.16029 0.16739 0.06564 96 4XY 0.33841 0.02744 -0.16785 -0.32074 0.00742 97 4XZ -0.04321 -0.09652 0.39018 0.13767 0.08535 98 4YZ 0.51918 0.14257 -0.16812 -0.27925 -0.01118 99 11 O 1S -0.00385 0.00092 -0.00339 -0.00007 -0.00376 100 2S -0.17307 0.04118 -0.49662 -0.08556 0.01327 101 2PX -0.00141 -0.01042 -0.02643 -0.02187 -0.00213 102 2PY -0.08810 -0.00578 -0.28207 -0.02317 0.01927 103 2PZ -0.00480 0.00195 -0.01794 0.00675 0.00942 104 3S 0.38075 -0.19348 0.89543 0.12857 0.09863 105 3PX -0.16164 0.04971 0.07984 0.00346 0.06431 106 3PY 0.19044 -0.06051 0.41297 0.08390 0.01838 107 3PZ -0.24716 0.03352 0.09992 -0.21989 -0.01588 108 4XX -0.10319 -0.01386 -0.06178 -0.09560 0.01564 109 4YY 0.16415 -0.01695 0.01038 0.15445 -0.05507 110 4ZZ -0.13201 0.02869 -0.11448 -0.06219 0.01881 111 4XY -0.35471 0.07344 0.11529 -0.21698 0.03269 112 4XZ -0.08506 -0.00650 -0.08519 -0.05938 -0.00645 113 4YZ -0.51599 0.11090 0.16212 -0.32133 0.00429 114 12 O 1S -0.00385 -0.00092 -0.00339 0.00007 -0.00376 115 2S -0.17304 -0.04111 -0.49661 0.08556 0.01332 116 2PX -0.00140 0.01043 -0.02642 0.02187 -0.00213 117 2PY 0.08809 -0.00582 0.28206 -0.02317 -0.01928 118 2PZ -0.00480 -0.00195 -0.01794 -0.00675 0.00942 119 3S 0.38068 0.19335 0.89541 -0.12858 0.09849 120 3PX -0.16167 -0.04975 0.07981 -0.00346 0.06431 121 3PY -0.19042 -0.06045 -0.41297 0.08390 -0.01834 122 3PZ -0.24716 -0.03355 0.09992 0.21989 -0.01584 123 4XX -0.10316 0.01387 -0.06177 0.09559 0.01566 124 4YY 0.16413 0.01696 0.01038 -0.15444 -0.05511 125 4ZZ -0.13202 -0.02868 -0.11448 0.06219 0.01883 126 4XY 0.35474 0.07350 -0.11526 -0.21699 -0.03274 127 4XZ -0.08505 0.00651 -0.08520 0.05937 -0.00644 128 4YZ 0.51599 0.11098 -0.16209 -0.32134 -0.00435 129 13 C 1S -0.00450 -0.04157 0.00222 0.06172 0.03190 130 2S -0.00803 -0.20372 -0.05972 0.40544 0.06081 131 2PX -0.02990 0.23346 0.02748 -0.07130 -0.23736 132 2PY -0.00211 0.01693 -0.00959 -0.05150 -0.01882 133 2PZ 0.04131 -0.16462 -0.01886 -0.00895 0.20598 134 3S 0.22615 2.69033 -0.01910 -2.01060 -1.13408 135 3PX 0.02556 0.73127 -0.03215 -0.08257 -0.79645 136 3PY 0.29147 1.16257 -0.12613 -1.00245 -0.37832 137 3PZ 0.00871 -0.52135 -0.05289 0.05561 0.62086 138 4XX -0.05503 0.06678 0.03216 0.08797 -0.36441 139 4YY 0.02859 0.01681 0.02135 -0.19186 0.51187 140 4ZZ 0.01418 -0.08675 -0.02199 0.03023 -0.20544 141 4XY -0.04365 0.17036 0.05072 -0.00436 -0.28997 142 4XZ -0.03208 -0.32217 0.04167 0.20362 0.52819 143 4YZ 0.05858 -0.11097 -0.06329 -0.13089 0.23189 144 14 C 1S 0.00137 0.11504 0.00225 0.00685 -0.04852 145 2S -0.00607 0.41232 0.00539 -0.00060 0.01848 146 2PX 0.00526 0.08700 -0.00359 -0.07638 -0.31347 147 2PY 0.00650 -0.32167 -0.00375 -0.20761 -0.16464 148 2PZ 0.00396 -0.06304 0.00195 0.04233 0.21745 149 3S -0.07585 -5.45856 -0.00953 0.57876 1.37934 150 3PX 0.03944 1.70558 0.01839 -0.44635 -0.64859 151 3PY -0.04847 -1.93289 0.01020 -0.08728 -0.14136 152 3PZ -0.01885 -1.28409 -0.00862 0.48764 0.49637 153 4XX -0.00283 0.14675 -0.01073 0.19312 0.22654 154 4YY -0.00714 -0.63370 0.01864 -0.38629 -0.12974 155 4ZZ 0.03465 0.44608 -0.00934 0.13743 -0.03026 156 4XY 0.00881 0.02302 0.01559 0.12116 0.26709 157 4XZ -0.03306 0.53766 0.03028 -0.13329 -0.42869 158 4YZ -0.01126 -0.00585 -0.00625 0.03632 -0.18450 159 15 C 1S 0.00138 -0.11504 0.00223 -0.00685 -0.04853 160 2S -0.00606 -0.41233 0.00530 0.00060 0.01840 161 2PX 0.00528 -0.08699 -0.00360 0.07640 -0.31348 162 2PY -0.00645 -0.32166 0.00370 -0.20762 0.16467 163 2PZ 0.00395 0.06304 0.00196 -0.04234 0.21747 164 3S -0.07648 5.45857 -0.00853 -0.57881 1.38001 165 3PX 0.03962 -1.70559 0.01806 0.44637 -0.64887 166 3PY 0.04870 -1.93288 -0.01054 -0.08728 0.14122 167 3PZ -0.01899 1.28410 -0.00838 -0.48766 0.49658 168 4XX -0.00280 -0.14676 -0.01075 -0.19312 0.22659 169 4YY -0.00724 0.63369 0.01874 0.38629 -0.12979 170 4ZZ 0.03472 -0.44607 -0.00942 -0.13743 -0.03026 171 4XY -0.00881 0.02302 -0.01559 0.12117 -0.26711 172 4XZ -0.03301 -0.53766 0.03018 0.13330 -0.42875 173 4YZ 0.01127 -0.00585 0.00625 0.03631 0.18449 174 16 C 1S -0.00451 0.04157 0.00222 -0.06172 0.03192 175 2S -0.00809 0.20373 -0.05970 -0.40545 0.06087 176 2PX -0.02988 -0.23347 0.02744 0.07131 -0.23738 177 2PY 0.00213 0.01693 0.00960 -0.05151 0.01885 178 2PZ 0.04129 0.16463 -0.01883 0.00895 0.20598 179 3S 0.22647 -2.69035 -0.01960 2.01069 -1.13475 180 3PX 0.02566 -0.73126 -0.03228 0.08259 -0.79656 181 3PY -0.29165 1.16255 0.12634 -1.00248 0.37868 182 3PZ 0.00861 0.52136 -0.05281 -0.05563 0.62091 183 4XX -0.05502 -0.06678 0.03216 -0.08796 -0.36436 184 4YY 0.02859 -0.01682 0.02134 0.19183 0.51181 185 4ZZ 0.01418 0.08675 -0.02197 -0.03022 -0.20543 186 4XY 0.04363 0.17037 -0.05069 -0.00436 0.28997 187 4XZ -0.03212 0.32216 0.04173 -0.20365 0.52827 188 4YZ -0.05854 -0.11098 0.06328 -0.13088 -0.23185 189 17 H 1S 0.01709 -0.03937 -0.04010 0.06538 -0.17221 190 2S 0.12359 0.22701 -0.04053 -0.23790 -0.09047 191 18 H 1S -0.00955 0.13858 0.01637 0.02885 -0.00162 192 2S -0.00775 -0.65585 -0.01603 0.11228 0.15568 193 19 H 1S -0.00954 -0.13859 0.01635 -0.02886 -0.00162 194 2S -0.00782 0.65586 -0.01591 -0.11229 0.15575 195 20 H 1S 0.01709 0.03938 -0.04009 -0.06537 -0.17220 196 2S 0.12364 -0.22700 -0.04057 0.23790 -0.09057 197 21 C 1S 0.01378 0.00000 -0.00981 0.00000 0.04375 198 2S 0.07782 0.00001 -0.04436 0.00000 0.11160 199 2PX -0.02938 0.00000 0.01692 0.00000 -0.02825 200 2PY 0.00000 0.10792 0.00001 -0.24166 0.00004 201 2PZ 0.02381 0.00000 -0.00783 0.00000 0.07894 202 3S -0.51481 -0.00001 0.25434 -0.00002 -0.52924 203 3PX -0.05363 0.00001 0.03558 -0.00001 0.03924 204 3PY 0.00001 0.11963 0.00002 -0.69691 0.00010 205 3PZ 0.31190 0.00002 -0.18775 0.00001 0.24274 206 4XX 0.05908 0.00000 -0.05689 0.00000 0.08394 207 4YY -0.05768 -0.00001 0.08838 -0.00001 0.15157 208 4ZZ -0.01425 0.00000 -0.02521 0.00001 -0.21335 209 4XY 0.00002 -0.07954 0.00000 -0.20791 0.00003 210 4XZ 0.09625 0.00001 -0.05433 -0.00001 0.26808 211 4YZ -0.00002 0.01554 -0.00001 0.42497 -0.00007 212 22 H 1S 0.03911 0.00000 -0.02055 0.00000 0.09840 213 2S -0.06876 0.00000 0.05215 0.00000 -0.08551 214 23 H 1S -0.04559 -0.00001 0.03881 0.00000 -0.01617 215 2S -0.03274 -0.00001 0.03257 0.00000 -0.02081 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 -0.04287 -0.00927 0.00387 -0.09482 -0.02932 2 2S -0.12555 -0.03320 -0.25221 -0.45791 -0.00442 3 2PX 0.02302 0.01778 0.01978 0.01802 -0.04224 4 2PY -0.11364 0.04632 0.35038 -0.28526 -0.09255 5 2PZ -0.03306 -0.01406 -0.01196 -0.02314 0.04008 6 3S 2.31529 0.24161 0.55515 6.39729 -0.33803 7 3PX 0.73102 0.11916 0.82850 2.28439 0.28827 8 3PY -0.66887 0.00686 0.39661 -1.89115 1.79787 9 3PZ -0.58001 -0.08284 -0.58611 -1.66335 -0.41115 10 4XX -0.10976 -0.01659 0.32664 -0.11705 -0.11869 11 4YY 0.20759 0.02542 -0.55833 0.51249 0.15281 12 4ZZ -0.10681 -0.02884 0.18832 -0.33796 -0.10850 13 4XY -0.03121 0.03440 0.37736 0.07703 0.41387 14 4XZ -0.21164 -0.04064 -0.15093 -0.31754 -0.08886 15 4YZ 0.13271 -0.02233 -0.25414 -0.02165 -0.33395 16 2 H 1S -0.08878 0.00524 0.16914 0.02455 0.11629 17 2S 0.26191 0.03028 0.06935 0.71424 -0.18928 18 3 C 1S 0.04287 -0.00927 -0.00386 0.09482 0.02932 19 2S 0.12556 -0.03321 0.25221 0.45791 0.00442 20 2PX -0.02303 0.01777 -0.01978 -0.01803 0.04223 21 2PY -0.11364 -0.04632 0.35039 -0.28526 -0.09255 22 2PZ 0.03306 -0.01406 0.01196 0.02314 -0.04008 23 3S -2.31532 0.24163 -0.55514 -6.39727 0.33800 24 3PX -0.73106 0.11917 -0.82849 -2.28443 -0.28823 25 3PY -0.66885 -0.00684 0.39663 -1.89109 1.79788 26 3PZ 0.58001 -0.08284 0.58610 1.66334 0.41116 27 4XX 0.10975 -0.01659 -0.32661 0.11706 0.11871 28 4YY -0.20759 0.02543 0.55830 -0.51249 -0.15282 29 4ZZ 0.10682 -0.02885 -0.18831 0.33797 0.10850 30 4XY -0.03122 -0.03440 0.37740 0.07701 0.41386 31 4XZ 0.21165 -0.04064 0.15092 0.31754 0.08886 32 4YZ 0.13270 0.02233 -0.25415 -0.02166 -0.33396 33 4 H 1S 0.08878 0.00524 -0.16915 -0.02455 -0.11629 34 2S -0.26191 0.03029 -0.06935 -0.71424 0.18928 35 5 C 1S -0.02628 0.00974 -0.07489 -0.07996 0.05701 36 2S -0.24756 0.08602 -0.17172 -0.75273 0.58518 37 2PX 0.04317 -0.00218 -0.00082 -0.11531 -0.28832 38 2PY 0.04521 0.00281 0.26167 0.16497 -0.25890 39 2PZ 0.04158 -0.00187 0.01690 0.10335 0.16459 40 3S 1.45205 -0.44769 2.69076 3.64996 -2.51488 41 3PX -0.12019 0.01467 0.43124 -0.56956 -2.83678 42 3PY 0.96180 -0.16026 1.22250 3.00433 -1.99214 43 3PZ 0.31176 -0.09745 -0.08352 0.75613 1.53874 44 4XX -0.08624 -0.04201 0.00953 -0.06787 -0.08091 45 4YY 0.13372 0.01521 0.04899 0.17039 -0.00436 46 4ZZ -0.04635 0.00849 -0.13990 -0.15811 0.11787 47 4XY -0.26386 0.03289 0.12379 0.02805 -0.21316 48 4XZ -0.12762 0.08445 -0.21423 -0.15114 0.07562 49 4YZ -0.18937 0.03355 0.13098 0.18078 0.08975 50 6 C 1S 0.01441 -0.00486 0.02077 0.05520 -0.11595 51 2S 0.02730 0.00991 0.65140 0.72312 -1.04750 52 2PX -0.04443 -0.02378 0.00926 0.09813 -0.05265 53 2PY 0.00949 -0.01082 0.23161 -0.08844 0.18931 54 2PZ -0.00881 0.02139 0.02359 0.02981 -0.07545 55 3S -1.12993 0.16300 -2.31748 -4.98347 7.01246 56 3PX 0.52421 -0.03867 1.04506 0.72704 -2.33633 57 3PY -0.43560 -0.05071 0.33579 -2.26007 0.48651 58 3PZ -0.54460 0.01124 -1.23979 -1.13057 2.39508 59 4XX -0.14272 0.01349 -0.37941 0.02291 0.05622 60 4YY 0.06872 0.00684 0.47552 -0.22770 0.43945 61 4ZZ 0.13166 -0.03246 -0.21769 -0.01455 -0.28086 62 4XY 0.01431 0.01588 -0.17291 0.31488 0.37174 63 4XZ -0.12207 -0.02429 0.22820 0.18792 -0.31442 64 4YZ 0.06486 -0.01135 0.02078 -0.39905 -0.15382 65 7 H 1S -0.17236 -0.00007 0.03246 0.27452 0.05895 66 2S -0.12067 -0.03859 -0.17902 -0.47035 0.46885 67 8 C 1S -0.01441 -0.00486 -0.02077 -0.05520 0.11595 68 2S -0.02726 0.00991 -0.65140 -0.72311 1.04749 69 2PX 0.04444 -0.02377 -0.00925 -0.09813 0.05265 70 2PY 0.00947 0.01082 0.23160 -0.08844 0.18931 71 2PZ 0.00881 0.02139 -0.02359 -0.02981 0.07544 72 3S 1.12973 0.16302 2.31743 4.98346 -7.01246 73 3PX -0.52417 -0.03867 -1.04504 -0.72707 2.33633 74 3PY -0.43563 0.05067 0.33580 -2.26006 0.48645 75 3PZ 0.54455 0.01126 1.23979 1.13058 -2.39509 76 4XX 0.14272 0.01349 0.37940 -0.02290 -0.05619 77 4YY -0.06872 0.00684 -0.47552 0.22768 -0.43946 78 4ZZ -0.13165 -0.03247 0.21770 0.01456 0.28085 79 4XY 0.01432 -0.01587 -0.17291 0.31489 0.37173 80 4XZ 0.12208 -0.02429 -0.22820 -0.18794 0.31441 81 4YZ 0.06485 0.01135 0.02079 -0.39905 -0.15382 82 9 H 1S 0.17237 -0.00006 -0.03246 -0.27453 -0.05894 83 2S 0.12067 -0.03858 0.17903 0.47036 -0.46886 84 10 C 1S 0.02627 0.00974 0.07489 0.07996 -0.05701 85 2S 0.24751 0.08602 0.17172 0.75273 -0.58517 86 2PX -0.04317 -0.00218 0.00082 0.11532 0.28832 87 2PY 0.04520 -0.00281 0.26167 0.16496 -0.25890 88 2PZ -0.04158 -0.00187 -0.01690 -0.10335 -0.16459 89 3S -1.45179 -0.44767 -2.69069 -3.64996 2.51490 90 3PX 0.12032 0.01469 -0.43116 0.56966 2.83669 91 3PY 0.96177 0.16027 1.22255 3.00435 -1.99227 92 3PZ -0.31179 -0.09746 0.08350 -0.75614 -1.53875 93 4XX 0.08624 -0.04201 -0.00950 0.06787 0.08089 94 4YY -0.13370 0.01521 -0.04902 -0.17040 0.00438 95 4ZZ 0.04634 0.00849 0.13990 0.15811 -0.11786 96 4XY -0.26387 -0.03289 0.12379 0.02805 -0.21316 97 4XZ 0.12758 0.08444 0.21420 0.15114 -0.07562 98 4YZ -0.18937 -0.03356 0.13097 0.18077 0.08976 99 11 O 1S -0.00146 0.00043 0.00432 0.01343 -0.00854 100 2S -0.11839 -0.03132 -0.24819 -0.47163 0.36362 101 2PX -0.01143 -0.00524 0.00232 -0.02928 -0.07337 102 2PY -0.02875 -0.01585 -0.04244 -0.09050 0.01487 103 2PZ 0.00603 -0.00854 -0.00031 0.02262 0.04332 104 3S 0.39017 0.04209 0.52984 1.36794 -1.12674 105 3PX -0.04229 0.01609 -0.00025 0.23200 0.49648 106 3PY 0.11139 0.03159 0.16800 0.38989 -0.43066 107 3PZ -0.14428 0.05204 0.06763 -0.08245 -0.36568 108 4XX -0.05019 0.00523 0.00653 -0.02819 0.10733 109 4YY 0.11322 -0.00665 0.08299 0.22723 -0.32709 110 4ZZ -0.07496 -0.00283 -0.04445 -0.05055 0.05434 111 4XY -0.20447 0.02117 0.09638 0.15966 0.14706 112 4XZ -0.01467 -0.00200 -0.01786 0.05336 -0.02031 113 4YZ -0.21215 0.05428 0.09340 0.02155 -0.17002 114 12 O 1S 0.00146 0.00043 -0.00432 -0.01343 0.00854 115 2S 0.11839 -0.03132 0.24823 0.47164 -0.36363 116 2PX 0.01143 -0.00524 -0.00232 0.02928 0.07337 117 2PY -0.02875 0.01585 -0.04245 -0.09051 0.01488 118 2PZ -0.00604 -0.00854 0.00031 -0.02262 -0.04332 119 3S -0.39022 0.04208 -0.52992 -1.36796 1.12676 120 3PX 0.04227 0.01609 0.00024 -0.23199 -0.49648 121 3PY 0.11140 -0.03158 0.16803 0.38990 -0.43065 122 3PZ 0.14429 0.05204 -0.06762 0.08245 0.36568 123 4XX 0.05018 0.00522 -0.00652 0.02819 -0.10732 124 4YY -0.11320 -0.00664 -0.08299 -0.22723 0.32708 125 4ZZ 0.07496 -0.00283 0.04446 0.05055 -0.05433 126 4XY -0.20446 -0.02117 0.09639 0.15966 0.14708 127 4XZ 0.01467 -0.00200 0.01787 -0.05336 0.02030 128 4YZ -0.21216 -0.05429 0.09340 0.02155 -0.17003 129 13 C 1S -0.07859 0.01440 -0.04716 -0.01079 0.04271 130 2S -0.32602 -0.00957 -0.50538 -0.22195 0.36113 131 2PX 0.11742 -0.10116 0.07086 -0.04981 -0.01171 132 2PY 0.09626 0.01313 -0.02166 -0.06305 0.06920 133 2PZ 0.00938 0.10247 -0.00978 0.01006 0.07496 134 3S 2.78765 -0.42098 2.34281 0.41847 -1.98876 135 3PX 0.38400 -0.37854 0.23159 -0.08658 -0.24468 136 3PY 1.49256 -0.02397 1.09666 0.41749 -1.13910 137 3PZ -0.16745 0.33675 -0.42954 -0.17054 0.42967 138 4XX -0.19187 -0.01211 0.02051 0.05487 -0.10066 139 4YY 0.23542 -0.32486 0.08420 -0.01782 0.03133 140 4ZZ -0.01685 0.35477 -0.00724 -0.01043 0.06076 141 4XY -0.00194 -0.43378 -0.00930 -0.07472 0.01192 142 4XZ -0.33551 -0.05445 -0.11798 0.09362 -0.01433 143 4YZ 0.20577 0.38720 0.02343 -0.04627 0.07267 144 14 C 1S 0.02264 -0.02361 0.03194 -0.00643 -0.02233 145 2S 0.27897 0.02058 0.20441 -0.06514 -0.23107 146 2PX 0.06996 -0.04454 0.04616 -0.00488 -0.03003 147 2PY 0.14631 0.06373 -0.04478 -0.03584 0.02090 148 2PZ -0.05377 0.06333 -0.02899 0.00711 0.02052 149 3S -2.36574 0.65804 -2.46782 -0.08482 2.34364 150 3PX 1.09092 -0.25691 0.95089 0.01532 -0.89132 151 3PY -0.41946 -0.18705 -0.63328 -0.04358 0.72029 152 3PZ -0.83046 0.19452 -0.61822 -0.00353 0.59659 153 4XX -0.26872 0.12304 -0.04960 0.05287 0.02637 154 4YY 0.29442 -0.22239 -0.06925 -0.05604 0.05167 155 4ZZ -0.01554 0.11138 0.09913 0.00283 -0.01235 156 4XY -0.12951 -0.13505 -0.05083 -0.00410 -0.01015 157 4XZ 0.23964 -0.33711 0.10203 -0.07609 -0.07715 158 4YZ -0.02074 0.06484 0.01379 -0.01950 -0.00958 159 15 C 1S -0.02263 -0.02361 -0.03194 0.00643 0.02232 160 2S -0.27897 0.02058 -0.20441 0.06514 0.23105 161 2PX -0.06989 -0.04455 -0.04615 0.00488 0.03003 162 2PY 0.14627 -0.06372 -0.04478 -0.03585 0.02090 163 2PZ 0.05371 0.06334 0.02898 -0.00711 -0.02052 164 3S 2.36539 0.65815 2.46778 0.08481 -2.34362 165 3PX -1.09075 -0.25696 -0.95087 -0.01531 0.89130 166 3PY -0.41950 0.18704 -0.63329 -0.04357 0.72029 167 3PZ 0.83034 0.19457 0.61821 0.00352 -0.59659 168 4XX 0.26866 0.12305 0.04959 -0.05287 -0.02637 169 4YY -0.29438 -0.22240 0.06925 0.05603 -0.05167 170 4ZZ 0.01554 0.11138 -0.09913 -0.00283 0.01235 171 4XY -0.12945 0.13503 -0.05082 -0.00410 -0.01016 172 4XZ -0.23952 -0.33712 -0.10201 0.07609 0.07714 173 4YZ -0.02078 -0.06483 0.01378 -0.01950 -0.00957 174 16 C 1S 0.07858 0.01440 0.04716 0.01079 -0.04271 175 2S 0.32600 -0.00955 0.50539 0.22195 -0.36113 176 2PX -0.11736 -0.10117 -0.07085 0.04982 0.01170 177 2PY 0.09626 -0.01313 -0.02166 -0.06304 0.06920 178 2PZ -0.00944 0.10248 0.00978 -0.01007 -0.07495 179 3S -2.78738 -0.42113 -2.34281 -0.41847 1.98877 180 3PX -0.38379 -0.37856 -0.23156 0.08658 0.24466 181 3PY 1.49248 0.02404 1.09666 0.41748 -1.13912 182 3PZ 0.16729 0.33676 0.42953 0.17054 -0.42966 183 4XX 0.19196 -0.01211 -0.02050 -0.05486 0.10065 184 4YY -0.23554 -0.32487 -0.08422 0.01781 -0.03132 185 4ZZ 0.01688 0.35477 0.00724 0.01043 -0.06076 186 4XY -0.00203 0.43378 -0.00931 -0.07471 0.01193 187 4XZ 0.33539 -0.05443 0.11796 -0.09363 0.01434 188 4YZ 0.20583 -0.38718 0.02344 -0.04627 0.07267 189 17 H 1S -0.06521 0.31013 -0.02828 0.03061 -0.03788 190 2S 0.45077 -0.17159 0.26443 0.16759 -0.28065 191 18 H 1S 0.00306 -0.19317 -0.00462 -0.02283 0.00085 192 2S -0.27105 0.09525 -0.24785 0.00177 0.28304 193 19 H 1S -0.00305 -0.19316 0.00462 0.02283 -0.00085 194 2S 0.27101 0.09526 0.24784 -0.00177 -0.28304 195 20 H 1S 0.06524 0.31013 0.02829 -0.03061 0.03787 196 2S -0.45075 -0.17161 -0.26443 -0.16759 0.28066 197 21 C 1S -0.00001 0.03242 0.00000 0.00000 0.00000 198 2S -0.00002 -0.09915 -0.00001 -0.00001 0.00001 199 2PX 0.00001 -0.02397 0.00000 0.00000 0.00000 200 2PY 0.33625 0.00001 0.16601 0.01478 -0.07792 201 2PZ -0.00001 0.12064 0.00000 0.00000 0.00000 202 3S 0.00010 -0.44716 0.00004 0.00001 -0.00004 203 3PX 0.00000 -0.09207 0.00000 -0.00001 0.00000 204 3PY 0.91936 0.00003 0.37736 0.00653 -0.15434 205 3PZ -0.00004 0.00699 -0.00002 -0.00001 0.00002 206 4XX -0.00002 0.43684 0.00000 0.00000 0.00000 207 4YY -0.00001 -0.63244 0.00000 -0.00001 0.00000 208 4ZZ 0.00002 0.25583 0.00000 0.00000 0.00000 209 4XY 0.28435 0.00000 0.03340 -0.04172 -0.00413 210 4XZ -0.00003 -0.24563 -0.00001 0.00000 0.00000 211 4YZ -0.64186 -0.00002 -0.18009 0.05773 -0.05715 212 22 H 1S -0.00001 -0.26765 0.00000 -0.00001 0.00000 213 2S 0.00001 0.08848 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00816 0.00000 0.00000 0.00000 215 2S 0.00000 0.07802 0.00000 0.00000 -0.00001 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 -0.00608 0.01093 -0.00847 0.00555 0.04850 2 2S -0.06080 0.09063 0.16180 -0.03763 0.31907 3 2PX -0.00568 -0.00221 0.11398 -0.05891 0.00561 4 2PY 0.00158 -0.00806 -0.02148 -0.00744 0.01888 5 2PZ -0.00063 0.00508 -0.08080 0.04456 0.01560 6 3S 0.09289 -0.85340 -0.05854 0.08471 -3.43992 7 3PX 0.16867 -0.35042 0.03384 -0.04599 -1.32991 8 3PY 0.21108 0.31758 0.15722 0.10771 1.38910 9 3PZ -0.08370 0.25623 -0.02452 0.02494 0.89254 10 4XX 0.02448 -0.01506 0.17261 -0.03622 -0.00504 11 4YY -0.00466 -0.00736 -0.18499 0.02444 -0.10960 12 4ZZ -0.01061 0.00880 0.07160 -0.00766 0.09934 13 4XY 0.02840 -0.02064 0.11460 -0.04215 -0.01568 14 4XZ -0.04261 0.05499 -0.18264 0.05972 0.16230 15 4YZ -0.03221 0.01065 -0.07493 0.03364 -0.01753 16 2 H 1S -0.00536 -0.01438 -0.02178 -0.01829 -0.03091 17 2S 0.00954 -0.12824 0.04404 -0.03414 -0.50481 18 3 C 1S 0.00608 -0.01093 -0.00847 0.00555 -0.04850 19 2S 0.06080 -0.09063 0.16181 -0.03763 -0.31907 20 2PX 0.00568 0.00221 0.11398 -0.05891 -0.00561 21 2PY 0.00158 -0.00806 0.02147 0.00745 0.01888 22 2PZ 0.00063 -0.00508 -0.08080 0.04456 -0.01560 23 3S -0.09287 0.85339 -0.05861 0.08482 3.43989 24 3PX -0.16866 0.35043 0.03380 -0.04596 1.32994 25 3PY 0.21108 0.31757 -0.15724 -0.10766 1.38907 26 3PZ 0.08370 -0.25622 -0.02450 0.02491 -0.89253 27 4XX -0.02448 0.01506 0.17261 -0.03622 0.00504 28 4YY 0.00466 0.00736 -0.18499 0.02445 0.10960 29 4ZZ 0.01061 -0.00880 0.07161 -0.00766 -0.09934 30 4XY 0.02840 -0.02064 -0.11460 0.04215 -0.01568 31 4XZ 0.04261 -0.05499 -0.18264 0.05972 -0.16230 32 4YZ -0.03221 0.01065 0.07493 -0.03364 -0.01752 33 4 H 1S 0.00536 0.01438 -0.02178 -0.01829 0.03091 34 2S -0.00954 0.12824 0.04404 -0.03412 0.50481 35 5 C 1S -0.00341 0.01327 -0.00921 -0.00487 0.05002 36 2S -0.14763 -0.05537 -0.34965 -0.76269 -0.49318 37 2PX -0.04448 0.00426 0.12099 0.03666 0.04915 38 2PY 0.06223 0.07700 0.39908 0.78622 0.72863 39 2PZ 0.02147 -0.00353 -0.02074 0.08817 0.08255 40 3S 0.05515 -0.87930 -0.57602 -1.29960 -4.91116 41 3PX -0.16924 -0.08052 -0.11253 0.09044 -0.74336 42 3PY -0.22622 -0.38664 0.43764 0.75377 -1.04009 43 3PZ 0.17803 0.01894 0.08561 0.01591 0.25243 44 4XX 0.02357 0.03128 0.19898 0.22018 0.19136 45 4YY -0.00172 -0.06244 -0.30996 -0.52255 -0.54882 46 4ZZ 0.01846 0.05864 0.07119 0.31358 0.39251 47 4XY -0.05393 0.01436 0.59994 -0.39044 -0.15603 48 4XZ -0.01150 0.04146 0.00683 0.03621 0.21677 49 4YZ 0.00989 -0.03464 -0.46762 0.16707 -0.07170 50 6 C 1S -0.01730 -0.01019 0.01643 -0.01465 -0.07944 51 2S -0.16939 -0.16849 -0.16347 0.23712 -0.58335 52 2PX 0.01272 -0.00056 0.12288 -0.05533 -0.04679 53 2PY 0.02207 0.00502 -0.00487 0.00147 0.03356 54 2PZ -0.01687 -0.00724 -0.08546 0.05340 -0.02843 55 3S 1.11025 0.88442 0.05111 -0.06354 4.65641 56 3PX -0.26393 -0.25117 0.09358 -0.10252 -1.66787 57 3PY 0.50325 0.07797 0.01172 -0.13874 0.89493 58 3PZ 0.36538 0.29798 -0.06517 -0.01348 1.52890 59 4XX -0.01174 0.04836 -0.14254 0.07215 0.05101 60 4YY 0.07440 -0.00536 0.14384 -0.15230 0.19571 61 4ZZ -0.02582 0.00231 -0.00379 -0.01380 -0.18706 62 4XY 0.04940 0.00841 -0.10840 0.08392 0.10072 63 4XZ 0.00249 -0.01268 0.16633 -0.13731 -0.23770 64 4YZ -0.00307 -0.00407 0.08550 -0.04942 -0.05191 65 7 H 1S 0.03807 0.00727 -0.01428 0.00005 0.03273 66 2S 0.14202 0.01596 -0.04997 0.05387 0.45108 67 8 C 1S 0.01730 0.01019 0.01643 -0.01465 0.07944 68 2S 0.16939 0.16848 -0.16347 0.23715 0.58333 69 2PX -0.01272 0.00056 0.12288 -0.05532 0.04679 70 2PY 0.02207 0.00502 0.00487 -0.00147 0.03356 71 2PZ 0.01687 0.00724 -0.08546 0.05340 0.02842 72 3S -1.11026 -0.88442 0.05111 -0.06368 -4.65641 73 3PX 0.26394 0.25117 0.09358 -0.10247 1.66788 74 3PY 0.50324 0.07796 -0.01172 0.13878 0.89490 75 3PZ -0.36539 -0.29797 -0.06517 -0.01353 -1.52891 76 4XX 0.01175 -0.04836 -0.14253 0.07214 -0.05100 77 4YY -0.07440 0.00537 0.14383 -0.15230 -0.19570 78 4ZZ 0.02581 -0.00231 -0.00380 -0.01379 0.18706 79 4XY 0.04940 0.00841 0.10841 -0.08393 0.10072 80 4XZ -0.00249 0.01268 0.16633 -0.13731 0.23770 81 4YZ -0.00307 -0.00407 -0.08551 0.04942 -0.05191 82 9 H 1S -0.03807 -0.00727 -0.01428 0.00005 -0.03272 83 2S -0.14202 -0.01596 -0.04997 0.05386 -0.45109 84 10 C 1S 0.00341 -0.01327 -0.00921 -0.00487 -0.05003 85 2S 0.14763 0.05540 -0.34966 -0.76270 0.49316 86 2PX 0.04448 -0.00426 0.12099 0.03664 -0.04913 87 2PY 0.06223 0.07702 -0.39909 -0.78622 0.72862 88 2PZ -0.02147 0.00353 -0.02075 0.08817 -0.08255 89 3S -0.05516 0.87932 -0.57609 -1.29952 4.91118 90 3PX 0.16925 0.08050 -0.11253 0.09043 0.74331 91 3PY -0.22623 -0.38664 -0.43763 -0.75383 -1.04015 92 3PZ -0.17804 -0.01894 0.08560 0.01590 -0.25242 93 4XX -0.02357 -0.03129 0.19895 0.22020 -0.19137 94 4YY 0.00172 0.06245 -0.30993 -0.52256 0.54883 95 4ZZ -0.01846 -0.05864 0.07119 0.31358 -0.39251 96 4XY -0.05392 0.01435 -0.59996 0.39041 -0.15601 97 4XZ 0.01150 -0.04147 0.00685 0.03620 -0.21677 98 4YZ 0.00988 -0.03463 0.46763 -0.16707 -0.07168 99 11 O 1S -0.00267 -0.00542 -0.00322 -0.00869 -0.01459 100 2S -0.00327 -0.02053 -0.27723 -0.53218 -0.52764 101 2PX -0.00805 0.00155 0.02239 0.00776 -0.00406 102 2PY 0.00289 0.02402 0.09268 0.19834 0.18526 103 2PZ 0.00700 -0.00172 -0.00454 0.02388 0.01508 104 3S -0.06407 0.10064 1.00754 1.98523 1.83173 105 3PX 0.03065 0.02259 0.29551 0.00927 0.24485 106 3PY 0.04092 0.11966 0.57828 1.17729 1.29047 107 3PZ -0.04736 0.00394 -0.11078 0.15650 0.04675 108 4XX -0.04287 -0.05677 -0.09425 -0.35898 -0.34949 109 4YY 0.07765 0.10498 0.45430 0.98403 0.97756 110 4ZZ -0.04690 -0.05913 -0.19490 -0.30753 -0.35905 111 4XY 0.00271 0.03004 0.49951 -0.05826 0.17022 112 4XZ -0.01308 0.00321 0.01660 0.01490 -0.00664 113 4YZ -0.01214 0.00133 -0.23827 0.25809 0.10023 114 12 O 1S 0.00267 0.00542 -0.00322 -0.00869 0.01459 115 2S 0.00327 0.02054 -0.27724 -0.53218 0.52763 116 2PX 0.00805 -0.00154 0.02239 0.00775 0.00406 117 2PY 0.00289 0.02403 -0.09268 -0.19834 0.18526 118 2PZ -0.00700 0.00172 -0.00454 0.02388 -0.01508 119 3S 0.06408 -0.10067 1.00758 1.98525 -1.83171 120 3PX -0.03065 -0.02258 0.29549 0.00924 -0.24481 121 3PY 0.04091 0.11968 -0.57831 -1.17729 1.29047 122 3PZ 0.04736 -0.00394 -0.11077 0.15650 -0.04675 123 4XX 0.04287 0.05678 -0.09427 -0.35898 0.34950 124 4YY -0.07765 -0.10501 0.45433 0.98402 -0.97756 125 4ZZ 0.04690 0.05914 -0.19490 -0.30752 0.35906 126 4XY 0.00272 0.03003 -0.49949 0.05830 0.17017 127 4XZ 0.01308 -0.00322 0.01661 0.01490 0.00664 128 4YZ -0.01214 0.00134 0.23827 -0.25809 0.10023 129 13 C 1S 0.00617 0.00083 -0.00196 -0.00149 0.02406 130 2S 0.25583 0.25139 0.01423 -0.12697 0.04538 131 2PX 0.24762 0.05315 0.00563 0.01206 -0.00705 132 2PY 0.01968 0.02913 0.01388 -0.01339 0.02462 133 2PZ -0.24774 -0.05059 -0.00120 0.01614 0.07080 134 3S -0.11845 -0.53938 -0.01296 0.22777 -1.03721 135 3PX 0.75774 -0.11509 -0.09637 -0.12090 -0.33030 136 3PY -0.58499 -0.28923 -0.07598 0.13782 -0.66237 137 3PZ -0.79544 0.22019 0.05182 0.01224 0.27511 138 4XX 0.32469 0.18189 -0.00258 0.02235 -0.07090 139 4YY -0.33279 -0.35667 0.00946 0.02870 0.10432 140 4ZZ 0.01795 0.10764 -0.02467 0.00606 0.02449 141 4XY 0.33388 -0.28844 -0.00277 -0.01283 0.03557 142 4XZ -0.25635 -0.19513 0.00317 0.02009 0.03771 143 4YZ -0.43960 0.26598 0.01413 0.00774 0.02523 144 14 C 1S -0.00096 -0.00148 -0.00228 0.00120 -0.01317 145 2S -0.02268 -0.16262 0.04260 -0.04504 -0.19253 146 2PX 0.20146 -0.02355 -0.01373 0.00240 -0.01392 147 2PY 0.39184 -0.09145 0.00167 -0.00766 0.00935 148 2PZ -0.14936 0.01577 0.00199 0.00203 0.01282 149 3S 0.42207 0.60181 0.06031 0.02996 1.55274 150 3PX 0.53019 -0.31193 -0.01305 0.00169 -0.62292 151 3PY 1.22595 0.10702 -0.01159 -0.02085 0.42962 152 3PZ -0.32413 0.16970 0.03100 0.00459 0.43940 153 4XX -0.43168 0.16335 -0.00725 0.01156 0.03708 154 4YY 0.68329 -0.28320 -0.01384 0.01234 0.05182 155 4ZZ -0.22007 0.11772 -0.00733 0.01192 -0.00202 156 4XY -0.26937 -0.63438 -0.00096 0.01213 0.08508 157 4XZ 0.35856 -0.16550 -0.01120 -0.00424 -0.05033 158 4YZ 0.24757 0.51316 0.00230 -0.01264 -0.08084 159 15 C 1S 0.00096 0.00148 -0.00228 0.00120 0.01317 160 2S 0.02268 0.16262 0.04260 -0.04503 0.19252 161 2PX -0.20146 0.02355 -0.01374 0.00241 0.01392 162 2PY 0.39184 -0.09145 -0.00167 0.00766 0.00935 163 2PZ 0.14936 -0.01577 0.00199 0.00203 -0.01282 164 3S -0.42206 -0.60182 0.06031 0.02988 -1.55273 165 3PX -0.53019 0.31193 -0.01306 0.00173 0.62291 166 3PY 1.22595 0.10701 0.01160 0.02086 0.42961 167 3PZ 0.32413 -0.16970 0.03100 0.00457 -0.43939 168 4XX 0.43168 -0.16335 -0.00724 0.01155 -0.03708 169 4YY -0.68329 0.28321 -0.01385 0.01235 -0.05182 170 4ZZ 0.22008 -0.11772 -0.00733 0.01192 0.00202 171 4XY -0.26937 -0.63439 0.00096 -0.01214 0.08508 172 4XZ -0.35856 0.16551 -0.01120 -0.00423 0.05032 173 4YZ 0.24757 0.51317 -0.00229 0.01265 -0.08084 174 16 C 1S -0.00617 -0.00083 -0.00196 -0.00149 -0.02405 175 2S -0.25584 -0.25139 0.01423 -0.12699 -0.04538 176 2PX -0.24762 -0.05315 0.00562 0.01206 0.00705 177 2PY 0.01968 0.02913 -0.01388 0.01340 0.02461 178 2PZ 0.24774 0.05059 -0.00120 0.01614 -0.07080 179 3S 0.11847 0.53939 -0.01296 0.22784 1.03721 180 3PX -0.75775 0.11509 -0.09638 -0.12088 0.33030 181 3PY -0.58500 -0.28923 0.07597 -0.13786 -0.66236 182 3PZ 0.79545 -0.22019 0.05183 0.01221 -0.27511 183 4XX -0.32469 -0.18189 -0.00258 0.02235 0.07090 184 4YY 0.33279 0.35668 0.00946 0.02870 -0.10432 185 4ZZ -0.01796 -0.10765 -0.02467 0.00606 -0.02449 186 4XY 0.33388 -0.28844 0.00278 0.01282 0.03558 187 4XZ 0.25635 0.19514 0.00318 0.02009 -0.03771 188 4YZ -0.43960 0.26598 -0.01414 -0.00773 0.02523 189 17 H 1S 0.00210 0.23250 -0.01784 -0.02452 -0.09871 190 2S -0.08642 -0.19747 -0.03592 0.06579 -0.13717 191 18 H 1S -0.04323 -0.37830 -0.00429 0.00300 0.05063 192 2S 0.06813 0.24525 0.00915 -0.00883 0.17277 193 19 H 1S 0.04323 0.37830 -0.00429 0.00301 -0.05064 194 2S -0.06813 -0.24525 0.00915 -0.00885 -0.17277 195 20 H 1S -0.00210 -0.23251 -0.01784 -0.02453 0.09871 196 2S 0.08643 0.19747 -0.03591 0.06581 0.13717 197 21 C 1S 0.00000 0.00000 -0.00015 0.00803 0.00000 198 2S 0.00000 0.00001 0.05708 0.05514 0.00001 199 2PX 0.00000 0.00000 -0.00897 -0.00610 0.00000 200 2PY -0.28536 0.09009 0.00000 0.00000 -0.04113 201 2PZ 0.00000 0.00000 0.00049 0.02631 0.00000 202 3S -0.00001 0.00000 -0.09001 -0.44299 -0.00001 203 3PX 0.00000 0.00000 0.08797 -0.00003 0.00001 204 3PY -1.00878 0.08432 -0.00001 0.00000 0.00547 205 3PZ 0.00001 0.00000 -0.00660 0.09149 0.00001 206 4XX 0.00000 -0.00001 -0.00041 0.01119 0.00000 207 4YY 0.00000 0.00001 -0.03009 0.01065 0.00000 208 4ZZ 0.00000 0.00000 -0.00791 -0.02205 0.00000 209 4XY -0.23674 -0.06539 0.00000 0.00000 -0.01938 210 4XZ 0.00000 0.00000 -0.00359 -0.00384 0.00000 211 4YZ 0.56268 -0.17563 0.00000 0.00000 -0.03851 212 22 H 1S 0.00000 0.00000 -0.00410 0.00039 0.00000 213 2S 0.00000 0.00000 0.08139 0.06498 0.00000 214 23 H 1S 0.00000 0.00000 0.00182 0.02607 0.00000 215 2S 0.00000 0.00000 -0.01430 0.01947 0.00000 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 -0.00423 0.06234 -0.16559 0.05055 -0.24532 2 2S 0.02551 -0.06270 0.78652 -0.08278 1.65397 3 2PX 0.10230 -0.00890 0.02277 0.01139 0.00620 4 2PY 0.33755 0.17187 0.13952 -0.05706 -0.07743 5 2PZ -0.07742 0.02041 -0.01152 0.00639 -0.02837 6 3S -0.85499 -2.68363 2.23057 -0.20890 0.55954 7 3PX 0.22366 -0.85827 0.66291 -0.40439 -0.10949 8 3PY 0.90232 0.89085 -0.85305 0.44987 0.17012 9 3PZ -0.17368 0.58418 -0.48271 0.25779 0.09878 10 4XX 0.26910 0.29451 -0.51963 0.10523 -0.94887 11 4YY -0.54265 -0.41442 -0.68750 0.10787 -0.92290 12 4ZZ 0.15616 0.26532 -0.56481 0.16253 -0.94123 13 4XY 0.19911 -0.45351 0.03734 -0.00848 0.03382 14 4XZ -0.22526 0.00751 -0.09955 0.09192 0.00515 15 4YZ -0.13063 0.36202 -0.03804 0.01095 -0.03228 16 2 H 1S 0.01272 -0.25452 0.09243 -0.04830 0.10410 17 2S -0.02707 -0.13756 0.15134 -0.24688 -0.30680 18 3 C 1S 0.00423 -0.06234 0.16563 0.05040 -0.24532 19 2S -0.02551 0.06270 -0.78657 -0.08206 1.65397 20 2PX -0.10229 0.00891 -0.02276 0.01141 0.00620 21 2PY 0.33756 0.17187 0.13958 0.05693 0.07743 22 2PZ 0.07742 -0.02041 0.01152 0.00638 -0.02837 23 3S 0.85498 2.68362 -2.23073 -0.20681 0.55959 24 3PX -0.22364 0.85829 -0.66329 -0.40378 -0.10948 25 3PY 0.90233 0.89083 -0.85343 -0.44907 -0.17009 26 3PZ 0.17368 -0.58418 0.48294 0.25734 0.09877 27 4XX -0.26909 -0.29452 0.51971 0.10475 -0.94887 28 4YY 0.54264 0.41443 0.68758 0.10724 -0.92290 29 4ZZ -0.15617 -0.26532 0.56495 0.16201 -0.94124 30 4XY 0.19913 -0.45348 0.03735 0.00844 -0.03382 31 4XZ 0.22526 -0.00751 0.09963 0.09183 0.00515 32 4YZ -0.13063 0.36202 -0.03805 -0.01092 0.03228 33 4 H 1S -0.01272 0.25452 -0.09247 -0.04821 0.10410 34 2S 0.02707 0.13756 -0.15157 -0.24674 -0.30680 35 5 C 1S 0.00106 0.05535 0.18117 0.09384 -0.17922 36 2S -0.04599 0.18786 -1.50101 -0.93521 1.01673 37 2PX -0.10519 -0.01077 0.05579 0.04123 -0.03298 38 2PY -0.00161 -0.25208 -0.06937 -0.00230 0.12385 39 2PZ 0.06724 -0.02445 -0.01955 0.00248 0.01304 40 3S 0.17843 -2.13326 -0.41409 -1.75765 -0.11542 41 3PX -0.13493 -0.14468 0.10402 0.11345 0.10372 42 3PY 0.09236 -1.18025 1.97440 2.13352 0.54481 43 3PZ 0.15268 -0.10971 0.13918 0.10076 0.07423 44 4XX -0.04679 -0.36693 0.83191 0.50505 -0.57111 45 4YY 0.02630 0.53512 0.94267 0.54665 -0.78521 46 4ZZ 0.06268 -0.06218 0.78132 0.49299 -0.59572 47 4XY -0.62505 0.00715 0.07691 0.04703 -0.05355 48 4XZ -0.02209 0.42917 0.00010 -0.00044 -0.05676 49 4YZ 0.44286 0.02426 -0.01007 -0.00900 0.00521 50 6 C 1S 0.01550 -0.06417 0.04041 -0.05269 -0.11749 51 2S 0.17390 -0.14210 0.14913 0.55511 0.77790 52 2PX -0.10055 -0.06788 0.07651 0.04578 -0.04153 53 2PY -0.28366 0.09134 0.01267 0.06178 0.03279 54 2PZ 0.08390 0.00578 0.01264 0.00643 0.01236 55 3S -1.45823 2.77277 -1.73405 -0.03404 0.21063 56 3PX -0.21258 -0.64860 0.48515 0.27170 0.10691 57 3PY -1.13058 0.78728 -0.70592 -0.36629 -0.14510 58 3PZ 0.00054 0.73638 -0.71375 -0.31887 -0.07508 59 4XX 0.33172 -0.13651 -0.03989 -0.32861 -0.43488 60 4YY -0.57069 0.37284 0.05059 -0.23050 -0.43055 61 4ZZ 0.16090 -0.29488 0.07027 -0.23835 -0.42808 62 4XY 0.13511 0.40288 -0.07066 -0.00013 0.05224 63 4XZ -0.19850 -0.02460 0.12280 0.09933 -0.00068 64 4YZ -0.13078 -0.26349 0.02909 0.02429 -0.03327 65 7 H 1S 0.02744 0.17639 -0.04235 -0.00215 0.04719 66 2S -0.05898 0.08389 -0.21039 -0.24173 -0.16512 67 8 C 1S -0.01550 0.06417 -0.04045 -0.05265 -0.11749 68 2S -0.17390 0.14210 -0.14865 0.55527 0.77791 69 2PX 0.10054 0.06789 -0.07647 0.04585 -0.04153 70 2PY -0.28367 0.09134 0.01262 -0.06179 -0.03279 71 2PZ -0.08390 -0.00578 -0.01263 0.00645 0.01236 72 3S 1.45823 -2.77277 1.73400 -0.03571 0.21053 73 3PX 0.21256 0.64861 -0.48492 0.27220 0.10696 74 3PY -1.13059 0.78727 -0.70558 0.36697 0.14513 75 3PZ -0.00053 -0.73640 0.71347 -0.31956 -0.07512 76 4XX -0.33172 0.13653 0.03960 -0.32865 -0.43489 77 4YY 0.57069 -0.37286 -0.05078 -0.23048 -0.43055 78 4ZZ -0.16091 0.29488 -0.07046 -0.23829 -0.42808 79 4XY 0.13512 0.40287 -0.07066 0.00020 -0.05224 80 4XZ 0.19850 0.02459 -0.12271 0.09944 -0.00068 81 4YZ -0.13079 -0.26348 0.02907 -0.02432 0.03327 82 9 H 1S -0.02744 -0.17640 0.04235 -0.00219 0.04719 83 2S 0.05898 -0.08389 0.21018 -0.24195 -0.16514 84 10 C 1S -0.00106 -0.05535 -0.18109 0.09400 -0.17922 85 2S 0.04599 -0.18787 1.50017 -0.93656 1.01671 86 2PX 0.10519 0.01077 -0.05576 0.04129 -0.03298 87 2PY -0.00161 -0.25209 -0.06937 0.00236 -0.12385 88 2PZ -0.06724 0.02445 0.01956 0.00246 0.01304 89 3S -0.17842 2.13327 0.41255 -1.75793 -0.11535 90 3PX 0.13493 0.14463 -0.10384 0.11349 0.10372 91 3PY 0.09237 -1.18028 1.97251 -2.13533 -0.54484 92 3PZ -0.15269 0.10972 -0.13910 0.10088 0.07423 93 4XX 0.04676 0.36693 -0.83145 0.50580 -0.57109 94 4YY -0.02626 -0.53513 -0.94219 0.54750 -0.78519 95 4ZZ -0.06268 0.06218 -0.78089 0.49369 -0.59571 96 4XY -0.62506 0.00711 0.07686 -0.04711 0.05354 97 4XZ 0.02210 -0.42918 -0.00010 -0.00044 -0.05676 98 4YZ 0.44287 0.02428 -0.01006 0.00901 -0.00520 99 11 O 1S -0.00282 -0.01657 -0.25138 -0.36082 -0.07402 100 2S 0.02251 -0.11578 -0.34531 -0.45168 -0.03413 101 2PX -0.00048 -0.02435 -0.01820 -0.02081 0.01089 102 2PY 0.01199 -0.21746 -0.22035 -0.21979 0.07798 103 2PZ 0.00478 -0.01946 -0.01229 -0.01618 0.01298 104 3S 0.00215 -0.06865 3.57400 5.07239 1.10480 105 3PX -0.25797 -0.00811 0.08678 0.13045 0.01159 106 3PY -0.00912 -0.01781 0.68571 1.13507 0.35466 107 3PZ 0.16526 0.02329 0.03933 0.08933 -0.00216 108 4XX -0.07233 -0.01277 -0.84341 -1.23956 -0.27327 109 4YY 0.01698 -0.26990 -0.83203 -1.05197 -0.07153 110 4ZZ 0.03260 -0.04249 -0.84064 -1.22157 -0.26119 111 4XY -0.39550 -0.05199 0.02283 0.03817 0.01143 112 4XZ -0.00126 -0.07787 0.01407 0.02558 0.01947 113 4YZ 0.27663 0.00729 -0.00342 0.01500 0.00406 114 12 O 1S 0.00282 0.01657 0.25106 -0.36104 -0.07401 115 2S -0.02250 0.11578 0.34491 -0.45198 -0.03413 116 2PX 0.00048 0.02435 0.01817 -0.02082 0.01089 117 2PY 0.01199 -0.21746 -0.22016 0.21998 -0.07798 118 2PZ -0.00478 0.01946 0.01227 -0.01619 0.01298 119 3S -0.00216 0.06866 -3.56948 5.07553 1.10479 120 3PX 0.25797 0.00811 -0.08665 0.13049 0.01157 121 3PY -0.00912 -0.01782 0.68470 -1.13566 -0.35465 122 3PZ -0.16526 -0.02329 -0.03925 0.08937 -0.00216 123 4XX 0.07231 0.01277 0.84230 -1.24029 -0.27327 124 4YY -0.01697 0.26991 0.83109 -1.05271 -0.07154 125 4ZZ -0.03260 0.04249 0.83955 -1.22230 -0.26119 126 4XY -0.39550 -0.05199 0.02280 -0.03818 -0.01142 127 4XZ 0.00127 0.07787 -0.01405 0.02559 0.01947 128 4YZ 0.27664 0.00729 -0.00343 -0.01499 -0.00406 129 13 C 1S -0.00636 0.01704 0.06057 0.05852 0.00147 130 2S -0.00493 0.00452 -0.49635 -0.44043 -0.04524 131 2PX -0.02201 0.01379 0.03231 0.06948 0.01665 132 2PY -0.01992 0.01427 0.01831 0.01940 0.00620 133 2PZ -0.00433 0.02555 -0.01070 -0.02555 -0.00565 134 3S 0.04314 -0.44539 -0.14085 -0.23807 0.23552 135 3PX -0.00099 -0.06250 -0.33452 -0.25873 0.04883 136 3PY 0.19718 -0.29886 -0.05779 -0.05494 0.26494 137 3PZ 0.01455 0.09938 0.09302 0.12843 0.02383 138 4XX -0.00908 0.00187 0.27900 0.26474 0.03727 139 4YY -0.02011 0.03898 0.27939 0.26041 0.02927 140 4ZZ -0.00824 0.04276 0.23799 0.23246 0.01095 141 4XY -0.03607 0.01334 -0.02002 0.00765 0.00995 142 4XZ 0.01423 -0.01849 0.03330 -0.01446 -0.04701 143 4YZ -0.00236 0.02012 0.00608 -0.01102 0.00384 144 14 C 1S -0.00384 0.00040 0.00936 -0.05516 -0.05201 145 2S -0.06350 -0.09073 -0.03805 0.36417 0.36514 146 2PX -0.00126 0.00478 0.00188 0.01727 0.02199 147 2PY -0.00282 0.00845 0.00607 0.01979 0.03136 148 2PZ 0.00574 0.00528 -0.01914 -0.02085 -0.01903 149 3S 0.08792 0.50289 0.14359 0.35488 0.03346 150 3PX -0.05548 -0.21454 -0.06183 -0.05263 0.06620 151 3PY -0.03810 0.14054 -0.08563 -0.05158 -0.05497 152 3PZ -0.03042 0.12494 0.15932 0.07752 -0.04082 153 4XX 0.03122 0.02140 0.01625 -0.24883 -0.23496 154 4YY -0.01086 0.02502 0.02807 -0.19535 -0.19143 155 4ZZ -0.00058 0.02098 0.03171 -0.22168 -0.20907 156 4XY -0.01571 -0.00614 0.00891 -0.01544 -0.00323 157 4XZ -0.01563 -0.01532 0.00956 0.01450 0.01452 158 4YZ -0.00224 0.00081 0.00132 0.00642 0.00944 159 15 C 1S 0.00384 -0.00040 -0.00940 -0.05515 -0.05201 160 2S 0.06350 0.09073 0.03837 0.36414 0.36515 161 2PX 0.00126 -0.00478 -0.00186 0.01728 0.02199 162 2PY -0.00282 0.00845 0.00606 -0.01979 -0.03136 163 2PZ -0.00574 -0.00528 0.01912 -0.02087 -0.01903 164 3S -0.08792 -0.50289 -0.14328 0.35497 0.03342 165 3PX 0.05548 0.21454 0.06179 -0.05267 0.06621 166 3PY -0.03810 0.14053 -0.08558 0.05167 0.05499 167 3PZ 0.03042 -0.12494 -0.15925 0.07766 -0.04083 168 4XX -0.03122 -0.02140 -0.01647 -0.24882 -0.23497 169 4YY 0.01086 -0.02502 -0.02824 -0.19532 -0.19143 170 4ZZ 0.00058 -0.02099 -0.03191 -0.22165 -0.20908 171 4XY -0.01571 -0.00614 0.00892 0.01544 0.00323 172 4XZ 0.01563 0.01532 -0.00955 0.01451 0.01452 173 4YZ -0.00224 0.00081 0.00131 -0.00642 -0.00944 174 16 C 1S 0.00636 -0.01704 -0.06052 0.05858 0.00147 175 2S 0.00493 -0.00452 0.49596 -0.44089 -0.04525 176 2PX 0.02201 -0.01379 -0.03225 0.06951 0.01665 177 2PY -0.01992 0.01427 0.01829 -0.01942 -0.00620 178 2PZ 0.00433 -0.02555 0.01067 -0.02556 -0.00566 179 3S -0.04314 0.44539 0.14063 -0.23818 0.23555 180 3PX 0.00100 0.06250 0.33430 -0.25903 0.04883 181 3PY 0.19718 -0.29886 -0.05776 0.05498 -0.26497 182 3PZ -0.01455 -0.09938 -0.09290 0.12851 0.02383 183 4XX 0.00908 -0.00188 -0.27877 0.26500 0.03727 184 4YY 0.02011 -0.03898 -0.27915 0.26067 0.02927 185 4ZZ 0.00824 -0.04276 -0.23778 0.23268 0.01095 186 4XY -0.03607 0.01334 -0.02003 -0.00763 -0.00995 187 4XZ -0.01423 0.01849 -0.03331 -0.01443 -0.04701 188 4YZ -0.00236 0.02012 0.00609 0.01102 -0.00383 189 17 H 1S 0.02989 -0.01885 -0.06603 -0.05339 0.02271 190 2S 0.07307 -0.09197 0.02148 0.03915 0.08205 191 18 H 1S -0.02009 -0.00622 0.00356 0.01343 0.01457 192 2S -0.01245 0.06723 0.02590 -0.02957 -0.06390 193 19 H 1S 0.02009 0.00622 -0.00355 0.01343 0.01456 194 2S 0.01245 -0.06723 -0.02593 -0.02955 -0.06391 195 20 H 1S -0.02989 0.01885 0.06598 -0.05344 0.02272 196 2S -0.07308 0.09198 -0.02145 0.03917 0.08205 197 21 C 1S 0.00000 0.00000 0.00002 0.04835 0.01792 198 2S 0.00000 0.00000 -0.00007 -0.15096 0.00923 199 2PX 0.00000 0.00000 0.00000 -0.00591 -0.01909 200 2PY 0.01448 -0.01027 0.04840 -0.00002 0.00000 201 2PZ 0.00000 0.00000 0.00003 0.05943 -0.03345 202 3S 0.00000 0.00000 -0.00023 -0.53077 -0.33132 203 3PX 0.00000 0.00000 0.00004 0.11294 -0.10908 204 3PY 0.03659 -0.03983 0.07642 -0.00004 0.00000 205 3PZ 0.00000 0.00000 -0.00008 -0.17067 0.40790 206 4XX 0.00000 0.00000 0.00007 0.15899 0.05127 207 4YY 0.00000 0.00000 0.00005 0.10117 0.03516 208 4ZZ 0.00000 0.00000 0.00007 0.14501 0.01641 209 4XY 0.00738 -0.00715 -0.01000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 -0.00523 0.03871 211 4YZ -0.00125 -0.01656 -0.04466 0.00002 0.00000 212 22 H 1S 0.00000 0.00000 -0.00003 -0.06406 0.08039 213 2S 0.00000 0.00000 0.00015 0.34126 -0.30000 214 23 H 1S 0.00000 0.00000 0.00001 0.02076 -0.02251 215 2S 0.00000 0.00000 0.00006 0.13073 -0.09868 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 0.13134 0.08489 0.12984 -0.16751 -0.22035 2 2S -0.85583 -0.47385 -0.80126 0.88215 1.27310 3 2PX 0.04110 0.03983 0.02968 -0.09178 -0.04324 4 2PY 0.05917 0.01152 -0.10952 -0.04465 0.23947 5 2PZ -0.02823 -0.03086 -0.02430 0.05072 0.02761 6 3S -0.40652 -0.34835 -0.53338 0.89509 0.23137 7 3PX 0.01913 -0.17505 0.02157 0.27675 -0.32561 8 3PY -0.12906 0.13351 -0.11812 -0.00510 0.47894 9 3PZ -0.02146 0.13683 0.00281 -0.15163 0.17859 10 4XX 0.53742 0.33822 0.51908 -0.65528 -0.84810 11 4YY 0.48884 0.29769 0.67335 -0.58616 -1.10394 12 4ZZ 0.53238 0.33755 0.50203 -0.67229 -0.81648 13 4XY 0.01663 0.02626 0.03744 -0.05301 0.00045 14 4XZ -0.02630 0.00344 -0.02836 0.02978 0.03080 15 4YZ -0.01523 -0.02014 -0.02557 0.04114 0.01302 16 2 H 1S -0.04095 -0.04294 -0.03030 0.05080 0.04901 17 2S 0.13745 -0.04221 0.14285 -0.03766 -0.35967 18 3 C 1S 0.13135 0.08490 -0.12984 -0.16748 0.22038 19 2S -0.85584 -0.47387 0.80122 0.88198 -1.27325 20 2PX 0.04110 0.03983 -0.02968 -0.09178 0.04327 21 2PY -0.05917 -0.01151 -0.10952 0.04469 0.23946 22 2PZ -0.02823 -0.03086 0.02430 0.05072 -0.02762 23 3S -0.40655 -0.34835 0.53336 0.89509 -0.23153 24 3PX 0.01912 -0.17505 -0.02157 0.27681 0.32557 25 3PY 0.12907 -0.13351 -0.11812 0.00518 0.47892 26 3PZ -0.02146 0.13682 -0.00281 -0.15166 -0.17856 27 4XX 0.53743 0.33822 -0.51905 -0.65516 0.84821 28 4YY 0.48885 0.29770 -0.67332 -0.58601 1.10404 29 4ZZ 0.53239 0.33756 -0.50200 -0.67218 0.81659 30 4XY -0.01663 -0.02627 0.03743 0.05301 0.00045 31 4XZ -0.02629 0.00344 0.02836 0.02977 -0.03081 32 4YZ 0.01523 0.02014 -0.02557 -0.04114 0.01303 33 4 H 1S -0.04095 -0.04294 0.03029 0.05080 -0.04902 34 2S 0.13745 -0.04221 -0.14285 -0.03760 0.35967 35 5 C 1S -0.04060 -0.07435 0.01511 0.18498 0.09876 36 2S 0.36592 0.32904 -0.21538 -1.02224 -0.06288 37 2PX 0.03332 0.06086 -0.05097 -0.03421 0.00200 38 2PY 0.00923 0.04112 -0.01780 -0.05727 -0.08861 39 2PZ -0.03715 -0.02745 0.02198 0.03085 -0.03560 40 3S 0.17228 -0.00082 0.70822 -0.67338 1.50281 41 3PX -0.16208 0.03815 0.37138 0.13067 -0.18000 42 3PY -0.46577 0.72948 0.14800 -0.42733 -2.52433 43 3PZ 0.10584 0.01315 -0.24041 -0.13313 -0.17926 44 4XX -0.20714 -0.23046 0.11003 0.72701 0.11085 45 4YY -0.22565 -0.28234 0.12943 0.83475 0.33609 46 4ZZ -0.19123 -0.23913 0.09106 0.68209 0.17387 47 4XY 0.04910 0.06988 -0.04909 -0.04158 0.05684 48 4XZ 0.02444 0.00188 -0.05493 -0.04773 0.09845 49 4YZ -0.04818 -0.04939 0.04183 0.07271 -0.01847 50 6 C 1S -0.12198 -0.14480 0.09339 0.10584 0.08442 51 2S 0.69394 0.93620 -0.60023 -0.30251 -0.59498 52 2PX 0.02747 -0.04417 -0.02193 0.03258 -0.04076 53 2PY 0.01658 0.04557 0.05589 0.02485 0.10627 54 2PZ -0.02605 -0.01081 0.02684 0.02874 -0.01047 55 3S 0.53684 0.24348 -0.74178 -0.48152 0.73043 56 3PX -0.26546 0.24665 0.75810 -0.16261 -0.14907 57 3PY -0.02102 -0.12679 0.07673 0.04477 0.71154 58 3PZ 0.15709 -0.17623 -0.26965 -0.15486 0.41203 59 4XX -0.46088 -0.58303 0.38081 0.29761 0.34206 60 4YY -0.41236 -0.51345 0.39742 0.28538 0.44481 61 4ZZ -0.46403 -0.59252 0.40148 0.32168 0.33711 62 4XY 0.01558 -0.00924 -0.01438 -0.05576 -0.01696 63 4XZ -0.04786 -0.00078 0.05183 -0.01677 -0.01856 64 4YZ -0.03083 0.00248 0.03153 0.03631 0.03517 65 7 H 1S 0.07968 0.01510 -0.12105 -0.03006 -0.02282 66 2S -0.04649 -0.22281 -0.00166 0.08309 0.26383 67 8 C 1S -0.12198 -0.14479 -0.09339 0.10582 -0.08444 68 2S 0.69394 0.93619 0.60024 -0.30238 0.59504 69 2PX 0.02746 -0.04417 0.02193 0.03259 0.04076 70 2PY -0.01658 -0.04557 0.05589 -0.02483 0.10627 71 2PZ -0.02605 -0.01082 -0.02684 0.02874 0.01047 72 3S 0.53684 0.24348 0.74179 -0.48153 -0.73033 73 3PX -0.26546 0.24665 -0.75809 -0.16263 0.14912 74 3PY 0.02101 0.12679 0.07674 -0.04467 0.71155 75 3PZ 0.15709 -0.17622 0.26965 -0.15490 -0.41201 76 4XX -0.46088 -0.58302 -0.38082 0.29752 -0.34212 77 4YY -0.41236 -0.51344 -0.39743 0.28527 -0.44487 78 4ZZ -0.46403 -0.59252 -0.40149 0.32159 -0.33718 79 4XY -0.01558 0.00924 -0.01438 0.05575 -0.01697 80 4XZ -0.04786 -0.00078 -0.05183 -0.01677 0.01856 81 4YZ 0.03083 -0.00248 0.03153 -0.03630 0.03517 82 9 H 1S 0.07968 0.01510 0.12105 -0.03005 0.02282 83 2S -0.04649 -0.22281 0.00166 0.08306 -0.26385 84 10 C 1S -0.04060 -0.07435 -0.01511 0.18496 -0.09879 85 2S 0.36593 0.32904 0.21541 -1.02220 0.06305 86 2PX 0.03332 0.06086 0.05097 -0.03420 -0.00200 87 2PY -0.00923 -0.04112 -0.01780 0.05726 -0.08862 88 2PZ -0.03715 -0.02745 -0.02198 0.03085 0.03559 89 3S 0.17230 -0.00082 -0.70820 -0.67372 -1.50273 90 3PX -0.16205 0.03811 -0.37137 0.13068 0.17990 91 3PY 0.46580 -0.72949 0.14801 0.42688 -2.52445 92 3PZ 0.10582 0.01316 0.24041 -0.13308 0.17929 93 4XX -0.20715 -0.23047 -0.11005 0.72698 -0.11097 94 4YY -0.22565 -0.28234 -0.12945 0.83467 -0.33623 95 4ZZ -0.19123 -0.23913 -0.09109 0.68204 -0.17399 96 4XY -0.04910 -0.06987 -0.04909 0.04159 0.05682 97 4XZ 0.02444 0.00188 0.05493 -0.04775 -0.09845 98 4YZ 0.04817 0.04939 0.04183 -0.07271 -0.01846 99 11 O 1S 0.05925 -0.07900 0.01608 0.01110 0.30445 100 2S 0.08972 -0.11442 0.04296 0.01912 0.51081 101 2PX 0.00734 0.00369 0.00594 -0.01557 0.01004 102 2PY 0.05042 -0.00022 -0.00318 -0.09342 0.07431 103 2PZ 0.00333 -0.00745 -0.00251 -0.00562 0.00504 104 3S -0.87871 1.25345 -0.27892 -0.33453 -5.00672 105 3PX -0.00830 0.03608 -0.07996 -0.02367 -0.12879 106 3PY -0.17535 0.32613 -0.12752 -0.19659 -1.29175 107 3PZ -0.03366 0.04243 0.02906 0.00596 -0.09080 108 4XX 0.20392 -0.27230 0.05371 0.05135 1.06679 109 4YY 0.19371 -0.17134 0.00490 -0.12005 0.70807 110 4ZZ 0.19323 -0.27017 0.07002 0.05425 1.03674 111 4XY 0.00056 0.02196 -0.02747 -0.02160 -0.03672 112 4XZ -0.00520 0.00766 0.00317 0.01441 -0.04702 113 4YZ -0.00818 0.00956 0.00394 -0.00336 -0.02243 114 12 O 1S 0.05925 -0.07900 -0.01608 0.01104 -0.30446 115 2S 0.08973 -0.11442 -0.04296 0.01902 -0.51082 116 2PX 0.00734 0.00369 -0.00594 -0.01557 -0.01003 117 2PY -0.05043 0.00022 -0.00318 0.09343 0.07429 118 2PZ 0.00333 -0.00745 0.00251 -0.00562 -0.00504 119 3S -0.87876 1.25345 0.27891 -0.33357 5.00685 120 3PX -0.00830 0.03607 0.07996 -0.02364 0.12877 121 3PY 0.17536 -0.32614 -0.12753 0.19633 -1.29180 122 3PZ -0.03365 0.04243 -0.02906 0.00597 0.09080 123 4XX 0.20393 -0.27231 -0.05371 0.05114 -1.06682 124 4YY 0.19372 -0.17134 -0.00489 -0.12018 -0.70806 125 4ZZ 0.19324 -0.27018 -0.07001 0.05405 -1.03676 126 4XY -0.00056 -0.02195 -0.02747 0.02159 -0.03672 127 4XZ -0.00520 0.00766 -0.00317 0.01442 0.04702 128 4YZ 0.00818 -0.00956 0.00394 0.00335 -0.02243 129 13 C 1S -0.09384 -0.10991 0.22412 -0.17314 0.00321 130 2S 0.52380 0.59344 -0.94590 0.74636 0.06990 131 2PX 0.06637 -0.07419 -0.07053 0.00733 -0.03626 132 2PY 0.01829 -0.02100 0.06017 -0.02789 -0.02404 133 2PZ -0.02240 0.08374 -0.00659 0.04911 0.00867 134 3S 0.32467 0.57232 -1.14178 0.85759 0.07026 135 3PX 0.04816 0.14698 0.04864 -0.00172 0.23594 136 3PY 0.17528 0.17000 -0.43677 0.16590 0.06320 137 3PZ 0.02104 -0.13359 0.17105 -0.17354 -0.13482 138 4XX -0.27027 -0.50012 0.75245 -0.59059 -0.03008 139 4YY -0.35756 -0.34936 0.74099 -0.59799 -0.03274 140 4ZZ -0.29455 -0.42380 0.77247 -0.56584 -0.00778 141 4XY 0.04020 -0.07455 -0.03224 -0.02831 -0.00579 142 4XZ -0.09416 0.02811 0.07406 0.01503 0.02221 143 4YZ 0.01578 0.11699 0.05898 0.09768 0.00441 144 14 C 1S -0.26187 0.20211 0.24076 -0.05897 0.08104 145 2S 1.63602 -1.03724 -1.29088 0.40310 -0.43810 146 2PX 0.05755 -0.10276 -0.03587 -0.02112 -0.01937 147 2PY 0.05864 -0.02839 0.17018 -0.00743 0.05109 148 2PZ -0.01671 0.05570 -0.00830 0.03194 0.01507 149 3S 0.58970 -0.93429 -1.17400 -0.13841 -0.80457 150 3PX -0.02330 0.28893 0.06140 0.11053 0.17125 151 3PY -0.02807 -0.08073 -0.35059 0.00066 -0.15602 152 3PZ -0.04057 -0.18174 0.02932 -0.08951 -0.15159 153 4XX -1.03075 0.79106 0.85937 -0.19589 0.30951 154 4YY -0.92952 0.66509 1.07936 -0.22596 0.36381 155 4ZZ -1.03162 0.78508 0.87066 -0.21885 0.30329 156 4XY 0.01184 0.03251 -0.00466 0.04938 0.00197 157 4XZ 0.02433 -0.03456 0.04063 -0.01808 -0.00602 158 4YZ -0.00478 -0.03111 0.03725 -0.04721 0.00258 159 15 C 1S -0.26187 0.20211 -0.24076 -0.05899 -0.08103 160 2S 1.63601 -1.03723 1.29088 0.40320 0.43804 161 2PX 0.05755 -0.10276 0.03587 -0.02111 0.01938 162 2PY -0.05864 0.02839 0.17018 0.00744 0.05109 163 2PZ -0.01671 0.05570 0.00830 0.03194 -0.01507 164 3S 0.58969 -0.93428 1.17402 -0.13823 0.80461 165 3PX -0.02330 0.28893 -0.06141 0.11049 -0.17127 166 3PY 0.02807 0.08073 -0.35059 -0.00070 -0.15602 167 3PZ -0.04057 -0.18174 -0.02931 -0.08948 0.15161 168 4XX -1.03075 0.79105 -0.85938 -0.19596 -0.30949 169 4YY -0.92951 0.66508 -1.07936 -0.22605 -0.36378 170 4ZZ -1.03162 0.78508 -0.87066 -0.21892 -0.30325 171 4XY -0.01184 -0.03251 -0.00466 -0.04938 0.00198 172 4XZ 0.02433 -0.03456 -0.04063 -0.01808 0.00603 173 4YZ 0.00477 0.03111 0.03725 0.04721 0.00257 174 16 C 1S -0.09384 -0.10992 -0.22411 -0.17315 -0.00317 175 2S 0.52380 0.59346 0.94587 0.74638 -0.07005 176 2PX 0.06637 -0.07419 0.07054 0.00733 0.03626 177 2PY -0.01829 0.02100 0.06017 0.02789 -0.02405 178 2PZ -0.02240 0.08374 0.00659 0.04911 -0.00868 179 3S 0.32467 0.57233 1.14175 0.85760 -0.07043 180 3PX 0.04817 0.14698 -0.04865 -0.00176 -0.23595 181 3PY -0.17527 -0.17000 -0.43675 -0.16588 0.06324 182 3PZ 0.02103 -0.13359 -0.17104 -0.17352 0.13485 183 4XX -0.27027 -0.50013 -0.75244 -0.59061 0.03020 184 4YY -0.35756 -0.34937 -0.74097 -0.59800 0.03285 185 4ZZ -0.29455 -0.42381 -0.77246 -0.56586 0.00789 186 4XY -0.04020 0.07455 -0.03224 0.02831 -0.00580 187 4XZ -0.09416 0.02811 -0.07407 0.01503 -0.02221 188 4YZ -0.01578 -0.11699 0.05898 -0.09768 0.00442 189 17 H 1S 0.07394 0.06463 -0.07120 0.07776 0.03463 190 2S -0.03479 -0.02117 0.00750 -0.10804 -0.00771 191 18 H 1S 0.12141 -0.08851 -0.08858 0.05255 -0.03400 192 2S -0.21759 0.06019 0.15170 -0.08832 0.00130 193 19 H 1S 0.12141 -0.08851 0.08858 0.05255 0.03399 194 2S -0.21758 0.06019 -0.15170 -0.08833 -0.00128 195 20 H 1S 0.07394 0.06463 0.07120 0.07775 -0.03464 196 2S -0.03479 -0.02117 -0.00750 -0.10804 0.00773 197 21 C 1S -0.06911 -0.27725 0.00000 -0.26602 0.00002 198 2S 0.61051 1.49949 -0.00002 1.26703 -0.00011 199 2PX 0.00021 -0.04558 0.00000 0.04092 0.00000 200 2PY 0.00000 0.00000 0.03135 0.00000 0.01333 201 2PZ -0.01297 0.04052 0.00000 0.06024 -0.00001 202 3S -0.24745 1.08330 -0.00002 1.16337 -0.00011 203 3PX -0.11626 0.25612 0.00000 -0.32467 0.00004 204 3PY 0.00000 0.00000 -0.16540 -0.00002 -0.21233 205 3PZ 0.23886 0.01185 0.00000 0.00452 0.00000 206 4XX -0.34514 -1.04884 0.00002 -0.98050 0.00009 207 4YY -0.24247 -1.02002 0.00002 -0.91440 0.00008 208 4ZZ -0.32799 -1.02450 0.00002 -0.95476 0.00009 209 4XY 0.00000 0.00000 0.06599 0.00000 0.02072 210 4XZ 0.00509 -0.05807 0.00000 -0.03082 0.00000 211 4YZ 0.00000 0.00000 -0.09208 0.00000 0.04302 212 22 H 1S 0.04456 0.08362 0.00000 0.07885 -0.00001 213 2S -0.05018 -0.08481 0.00001 -0.58419 0.00006 214 23 H 1S 0.08177 0.05764 0.00000 0.09903 -0.00001 215 2S -0.13480 -0.36130 0.00000 -0.18297 0.00002 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 -0.12652 0.01860 0.09887 0.05032 -0.09472 2 2S 0.64787 -0.15529 -0.49870 -0.22900 0.30577 3 2PX -0.04406 0.01514 0.04686 0.02662 -0.01688 4 2PY 0.05989 0.01434 -0.05229 -0.00681 0.03531 5 2PZ 0.03738 -0.01996 -0.03372 -0.02888 0.00929 6 3S 1.78076 -0.11474 -1.05072 -0.31702 3.96130 7 3PX 0.48765 -0.11219 -0.30786 -0.38941 1.29624 8 3PY -0.36950 0.12256 -0.05287 0.46050 -1.82119 9 3PZ -0.36019 0.09451 0.21088 0.26362 -0.83422 10 4XX -0.49196 0.09774 0.38384 0.19181 -0.30797 11 4YY -0.59836 0.10089 0.49196 0.20245 -0.43310 12 4ZZ -0.48285 0.08544 0.38110 0.19475 -0.31784 13 4XY -0.07480 0.02879 0.06609 0.05445 -0.08894 14 4XZ 0.03893 -0.01521 -0.04423 0.00205 0.02776 15 4YZ 0.04937 -0.02869 -0.04559 -0.05775 0.08401 16 2 H 1S 0.04382 -0.02024 -0.01812 -0.05720 0.09617 17 2S 0.04771 -0.05538 0.02763 -0.19899 0.43613 18 3 C 1S 0.12651 0.01860 -0.09884 0.05039 0.09472 19 2S -0.64786 -0.15529 0.49852 -0.22937 -0.30577 20 2PX 0.04406 0.01514 -0.04684 0.02665 0.01688 21 2PY 0.05989 -0.01434 -0.05228 0.00684 0.03530 22 2PZ -0.03738 -0.01996 0.03370 -0.02891 -0.00929 23 3S -1.78073 -0.11473 1.05049 -0.31779 -3.96126 24 3PX -0.48765 -0.11219 0.30758 -0.38964 -1.29627 25 3PY -0.36949 -0.12255 -0.05320 -0.46046 -1.82114 26 3PZ 0.36019 0.09451 -0.21069 0.26377 0.83420 27 4XX 0.49195 0.09774 -0.38369 0.19209 0.30796 28 4YY 0.59835 0.10089 -0.49181 0.20282 0.43310 29 4ZZ 0.48284 0.08544 -0.38095 0.19503 0.31784 30 4XY -0.07479 -0.02879 0.06605 -0.05450 -0.08893 31 4XZ -0.03893 -0.01520 0.04423 0.00201 -0.02776 32 4YZ 0.04937 0.02869 -0.04555 0.05779 0.08401 33 4 H 1S -0.04382 -0.02024 0.01808 -0.05721 -0.09617 34 2S -0.04771 -0.05538 -0.02777 -0.19897 -0.43612 35 5 C 1S -0.15602 -0.11102 0.13834 -0.18224 -0.24144 36 2S 0.65415 0.47723 -0.70827 0.66537 0.60881 37 2PX 0.05189 -0.01939 0.03537 -0.01285 0.02581 38 2PY 0.05170 0.03288 -0.00788 0.08967 0.06985 39 2PZ -0.03793 0.02412 0.01341 0.03967 0.03052 40 3S 0.20371 0.46898 -0.32901 0.14842 2.53028 41 3PX -0.24257 0.25776 0.39841 0.56049 0.94552 42 3PY 1.11893 0.75443 -0.06101 2.28876 4.08691 43 3PZ 0.25383 -0.05457 -0.27849 -0.07692 -0.06160 44 4XX -0.51292 -0.41939 0.56599 -0.64939 -0.77682 45 4YY -0.64504 -0.46082 0.63559 -0.76335 -0.89844 46 4ZZ -0.52062 -0.40695 0.51194 -0.59886 -0.76162 47 4XY 0.06800 -0.04269 0.00520 -0.06826 -0.04107 48 4XZ -0.00201 0.07390 -0.04271 0.10858 0.12529 49 4YZ -0.08447 0.01440 0.04697 0.03567 0.03083 50 6 C 1S -0.23436 0.14534 0.08806 0.24839 0.32899 51 2S 0.96486 -0.71727 0.14302 -0.80384 -0.76418 52 2PX -0.02921 -0.02035 -0.02153 -0.04216 -0.00616 53 2PY -0.13073 0.00383 0.01845 -0.00202 0.05135 54 2PZ -0.03909 0.08229 0.03248 0.09546 0.12815 55 3S 1.77737 -0.81483 -1.82136 -2.17329 -7.43363 56 3PX 0.33980 0.27648 0.09439 0.33625 1.29465 57 3PY 0.13447 -0.11838 -0.10411 -0.09890 -1.72132 58 3PZ 0.06114 -0.28565 -0.75390 -0.65126 -1.94896 59 4XX -0.77566 0.59996 0.09053 0.82382 0.99543 60 4YY -0.95883 0.49046 0.22161 0.77740 1.24266 61 4ZZ -0.81204 0.56028 0.15938 0.86790 1.01593 62 4XY 0.05097 0.02560 -0.05678 0.09701 0.09926 63 4XZ -0.02076 -0.00005 0.00106 -0.05536 -0.02059 64 4YZ 0.01846 -0.01873 0.02133 -0.01293 -0.10701 65 7 H 1S -0.03236 -0.06877 0.00166 -0.06560 -0.02906 66 2S -0.25109 -0.03531 -0.03831 0.09353 -0.22478 67 8 C 1S 0.23437 0.14534 -0.08788 0.24845 -0.32899 68 2S -0.96488 -0.71727 -0.14360 -0.80371 0.76419 69 2PX 0.02921 -0.02035 0.02150 -0.04218 0.00616 70 2PY -0.13073 -0.00383 0.01845 0.00201 0.05135 71 2PZ 0.03910 0.08229 -0.03241 0.09548 -0.12816 72 3S -1.77741 -0.81484 1.81980 -2.17455 7.43366 73 3PX -0.33980 0.27649 -0.09414 0.33635 -1.29468 74 3PY 0.13446 0.11836 -0.10403 0.09895 -1.72130 75 3PZ -0.06115 -0.28566 0.75344 -0.65181 1.94901 76 4XX 0.77568 0.59996 -0.08994 0.82385 -0.99544 77 4YY 0.95885 0.49047 -0.22105 0.77753 -1.24268 78 4ZZ 0.81206 0.56028 -0.15876 0.86799 -1.01594 79 4XY 0.05097 -0.02561 -0.05685 -0.09697 0.09926 80 4XZ 0.02076 -0.00005 -0.00110 -0.05536 0.02059 81 4YZ 0.01846 0.01873 0.02134 0.01292 -0.10701 82 9 H 1S 0.03236 -0.06877 -0.00171 -0.06560 0.02906 83 2S 0.25110 -0.03532 0.03838 0.09348 0.22479 84 10 C 1S 0.15602 -0.11102 -0.13847 -0.18214 0.24144 85 2S -0.65417 0.47723 0.70876 0.66483 -0.60882 86 2PX -0.05189 -0.01939 -0.03538 -0.01283 -0.02581 87 2PY 0.05171 -0.03288 -0.00794 -0.08966 0.06985 88 2PZ 0.03793 0.02412 -0.01338 0.03968 -0.03052 89 3S -0.20373 0.46898 0.32917 0.14819 -2.53024 90 3PX 0.24261 0.25775 -0.39799 0.56071 -0.94540 91 3PY 1.11893 -0.75446 -0.06262 -2.28871 4.08707 92 3PZ -0.25385 -0.05458 0.27844 -0.07713 0.06159 93 4XX 0.51294 -0.41939 -0.56647 -0.64896 0.77683 94 4YY 0.64506 -0.46082 -0.63615 -0.76287 0.89845 95 4ZZ 0.52064 -0.40695 -0.51238 -0.59848 0.76163 96 4XY 0.06800 0.04269 0.00524 0.06825 -0.04107 97 4XZ 0.00201 0.07390 0.04279 0.10855 -0.12529 98 4YZ -0.08448 -0.01441 0.04694 -0.03571 0.03083 99 11 O 1S -0.10050 -0.05302 -0.01038 -0.20708 -0.21764 100 2S -0.17868 -0.11591 -0.02684 -0.47077 -0.56833 101 2PX -0.00016 0.00399 -0.00929 -0.00498 0.00529 102 2PY 0.03555 0.02386 -0.08074 -0.01073 0.00401 103 2PZ 0.00170 -0.00119 -0.00949 0.00351 0.00332 104 3S 1.75529 0.99258 0.07840 3.76361 4.43922 105 3PX 0.11510 -0.01663 -0.03994 0.05532 0.01525 106 3PY 0.51449 0.32055 -0.07767 1.08368 1.17552 107 3PZ -0.00244 0.04890 0.04707 0.11291 0.13582 108 4XX -0.35609 -0.19248 -0.01478 -0.71847 -0.73540 109 4YY -0.14480 -0.04159 -0.15235 -0.36005 -0.37793 110 4ZZ -0.35381 -0.19569 -0.02268 -0.73684 -0.75718 111 4XY 0.04208 -0.00121 -0.00923 0.02467 0.02297 112 4XZ 0.00689 -0.01164 0.00920 -0.01535 -0.01431 113 4YZ -0.00207 0.02526 0.00508 0.05348 0.05476 114 12 O 1S 0.10050 -0.05302 0.01023 -0.20709 0.21765 115 2S 0.17868 -0.11592 0.02651 -0.47079 0.56836 116 2PX 0.00016 0.00398 0.00929 -0.00499 -0.00529 117 2PY 0.03555 -0.02386 -0.08073 0.01079 0.00401 118 2PZ -0.00170 -0.00119 0.00949 0.00350 -0.00332 119 3S -1.75529 0.99263 -0.07576 3.76364 -4.43944 120 3PX -0.11509 -0.01664 0.03997 0.05526 -0.01523 121 3PY 0.51449 -0.32056 -0.07843 -1.08362 1.17558 122 3PZ 0.00245 0.04891 -0.04699 0.11294 -0.13583 123 4XX 0.35609 -0.19249 0.01427 -0.71848 0.73544 124 4YY 0.14479 -0.04160 0.15211 -0.36016 0.37795 125 4ZZ 0.35381 -0.19570 0.02216 -0.73684 0.75722 126 4XY 0.04207 0.00122 -0.00924 -0.02465 0.02296 127 4XZ -0.00689 -0.01164 -0.00921 -0.01534 0.01431 128 4YZ -0.00207 -0.02526 0.00504 -0.05348 0.05476 129 13 C 1S -0.00478 0.19621 -0.33409 -0.21940 -0.12060 130 2S 0.36303 -1.19830 1.09152 0.80995 -0.08160 131 2PX -0.05000 0.01170 0.00091 0.00021 -0.01332 132 2PY -0.01563 0.07544 -0.15994 -0.11197 -0.06400 133 2PZ 0.03392 -0.00902 0.06032 0.03422 -0.01116 134 3S 0.04074 -1.62228 3.76614 2.12694 2.30263 135 3PX 0.26549 0.07646 0.04141 -0.03077 -0.11491 136 3PY -0.06050 -0.18081 1.28055 0.64024 0.96456 137 3PZ 0.06787 -0.17588 -0.41917 -0.18847 -0.37733 138 4XX -0.19676 0.81147 -1.19353 -0.72226 -0.24227 139 4YY -0.12130 0.89041 -1.07364 -0.83941 -0.26672 140 4ZZ -0.12655 0.84839 -1.16870 -0.74210 -0.29669 141 4XY -0.01951 -0.02017 -0.05773 -0.00760 -0.04330 142 4XZ 0.04986 -0.06246 0.10176 0.06542 0.07653 143 4YZ 0.04656 0.07219 -0.00198 -0.00573 -0.03483 144 14 C 1S 0.21128 -0.04990 0.14995 -0.00724 0.02773 145 2S -1.07323 0.34125 -0.73866 0.10018 -0.08064 146 2PX -0.08357 0.06492 -0.09858 -0.01165 -0.00642 147 2PY 0.11811 0.03223 0.03648 -0.00720 -0.00543 148 2PZ 0.04525 -0.04580 0.08777 0.02558 0.00537 149 3S -1.73213 0.38815 -3.05154 -0.62576 -1.45403 150 3PX 0.26903 -0.06143 0.89061 0.28329 0.57551 151 3PY -0.36868 -0.04430 -0.66637 -0.01162 -0.31186 152 3PZ -0.16216 0.02607 -0.60544 -0.17118 -0.32686 153 4XX 0.78907 -0.26212 0.62997 -0.01299 0.09791 154 4YY 0.96727 -0.19500 0.68064 -0.03965 0.10633 155 4ZZ 0.79343 -0.26066 0.61507 0.00197 0.10638 156 4XY 0.03062 -0.03878 0.06680 0.05966 0.01409 157 4XZ -0.03843 0.09457 -0.12832 -0.03454 -0.02196 158 4YZ 0.00342 0.00644 -0.06258 -0.04755 -0.02883 159 15 C 1S -0.21128 -0.04989 -0.14996 -0.00713 -0.02773 160 2S 1.07324 0.34121 0.73873 0.09966 0.08064 161 2PX 0.08358 0.06491 0.09858 -0.01172 0.00642 162 2PY 0.11811 -0.03223 0.03648 0.00717 -0.00543 163 2PZ -0.04526 -0.04579 -0.08776 0.02564 -0.00537 164 3S 1.73215 0.38807 3.05110 -0.62794 1.45405 165 3PX -0.26903 -0.06141 -0.89041 0.28392 -0.57552 166 3PY -0.36869 0.04431 -0.66636 0.01210 -0.31186 167 3PZ 0.16217 0.02606 0.60532 -0.17161 0.32686 168 4XX -0.78909 -0.26209 -0.62997 -0.01255 -0.09790 169 4YY -0.96728 -0.19498 -0.68067 -0.03917 -0.10633 170 4ZZ -0.79345 -0.26064 -0.61507 0.00241 -0.10637 171 4XY 0.03062 0.03878 0.06676 -0.05971 0.01409 172 4XZ 0.03843 0.09457 0.12830 -0.03463 0.02196 173 4YZ 0.00342 -0.00644 -0.06255 0.04760 -0.02883 174 16 C 1S 0.00478 0.19620 0.33394 -0.21964 0.12060 175 2S -0.36304 -1.19827 -1.09096 0.81072 0.08158 176 2PX 0.05000 0.01170 -0.00092 0.00021 0.01332 177 2PY -0.01563 -0.07543 -0.15986 0.11209 -0.06401 178 2PZ -0.03392 -0.00902 -0.06029 0.03426 0.01116 179 3S -0.04074 -1.62221 -3.76471 2.12960 -2.30272 180 3PX -0.26549 0.07648 -0.04141 -0.03074 0.11492 181 3PY -0.06049 0.18079 1.28010 -0.64115 0.96458 182 3PZ -0.06788 -0.17589 0.41904 -0.18877 0.37734 183 4XX 0.19676 0.81144 1.19303 -0.72310 0.24229 184 4YY 0.12131 0.89038 1.07306 -0.84016 0.26674 185 4ZZ 0.12656 0.84836 1.16819 -0.74292 0.29671 186 4XY -0.01951 0.02017 -0.05773 0.00764 -0.04330 187 4XZ -0.04987 -0.06246 -0.10172 0.06549 -0.07653 188 4YZ 0.04655 -0.07219 -0.00198 0.00573 -0.03483 189 17 H 1S 0.03045 -0.03133 0.06069 0.07643 -0.00692 190 2S -0.02166 0.26663 0.01104 -0.05074 0.17856 191 18 H 1S -0.07859 0.02647 -0.06483 0.03529 -0.00746 192 2S 0.11606 -0.07970 -0.10481 -0.07269 -0.12385 193 19 H 1S 0.07859 0.02646 0.06486 0.03524 0.00746 194 2S -0.11606 -0.07970 0.10475 -0.07277 0.12386 195 20 H 1S -0.03046 -0.03132 -0.06063 0.07648 0.00693 196 2S 0.02166 0.26663 -0.01107 -0.05073 -0.17856 197 21 C 1S 0.00000 -0.33923 0.00002 0.07236 0.00000 198 2S 0.00002 1.64410 -0.00015 -0.47028 0.00001 199 2PX 0.00000 -0.04063 0.00001 0.03451 0.00000 200 2PY -0.02253 0.00000 0.04662 -0.00002 0.06433 201 2PZ 0.00000 0.13303 0.00002 0.04069 0.00000 202 3S 0.00002 2.93118 -0.00054 -1.67006 0.00007 203 3PX 0.00000 0.01176 -0.00012 -0.34199 0.00000 204 3PY -0.02121 0.00000 0.57730 -0.00020 0.40845 205 3PZ 0.00000 -0.39144 0.00004 0.16452 -0.00002 206 4XX -0.00001 -1.23543 0.00008 0.26054 -0.00001 207 4YY -0.00001 -1.40069 0.00013 0.40770 -0.00002 208 4ZZ -0.00001 -1.28808 0.00010 0.33546 -0.00001 209 4XY -0.00103 0.00000 -0.06941 0.00002 -0.02256 210 4XZ 0.00000 0.10323 -0.00001 -0.03477 0.00000 211 4YZ 0.01743 0.00000 0.11826 -0.00004 0.00749 212 22 H 1S 0.00000 0.02076 0.00000 -0.00617 0.00000 213 2S -0.00001 -0.48278 0.00002 0.07785 -0.00001 214 23 H 1S 0.00000 -0.02115 0.00003 0.07616 0.00000 215 2S 0.00000 -0.25767 0.00008 0.23215 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05488 2 2S -0.06574 0.33152 3 2PX 0.00144 -0.00055 0.38170 4 2PY -0.00125 0.00083 -0.00498 0.44170 5 2PZ -0.00041 -0.00136 -0.05073 0.00247 0.35287 6 3S -0.19989 0.32136 0.04481 0.08109 -0.03012 7 3PX -0.00666 0.00062 0.18111 0.01415 0.02128 8 3PY 0.00006 0.00777 0.00920 0.11831 -0.00422 9 3PZ 0.00308 0.00234 0.02286 -0.00793 0.19447 10 4XX -0.01656 -0.00528 0.00036 0.01189 0.00350 11 4YY -0.01817 -0.00063 -0.00175 -0.01162 0.00145 12 4ZZ -0.01420 -0.01001 -0.00184 0.00669 -0.00204 13 4XY 0.00168 -0.00321 0.00846 -0.00095 -0.01510 14 4XZ 0.00448 -0.00901 0.00226 -0.01010 -0.00008 15 4YZ -0.00124 0.00242 -0.01509 0.00109 -0.00056 16 2 H 1S -0.06142 0.11783 -0.18292 0.14461 0.13429 17 2S -0.01091 0.02323 -0.15807 0.10740 0.11584 18 3 C 1S 0.01890 -0.03858 -0.00062 0.08565 0.00082 19 2S -0.03858 0.06917 -0.00125 -0.17172 -0.00060 20 2PX -0.00062 -0.00125 0.12712 0.00181 0.12932 21 2PY -0.08565 0.17172 -0.00182 -0.32412 0.00261 22 2PZ 0.00082 -0.00060 0.12932 -0.00262 0.20356 23 3S 0.02136 -0.01375 0.01266 -0.13543 -0.00305 24 3PX 0.00636 -0.00664 0.08068 0.01317 0.09021 25 3PY -0.00238 0.01747 -0.01572 -0.09419 0.01012 26 3PZ -0.00393 0.00164 0.08811 -0.01109 0.13410 27 4XX 0.00298 -0.00662 0.00096 0.01058 0.00177 28 4YY -0.00578 0.01027 0.00025 -0.00542 -0.00018 29 4ZZ 0.00263 -0.00570 -0.00138 0.00909 -0.00095 30 4XY 0.00006 0.00005 0.01407 -0.00156 -0.00061 31 4XZ -0.00085 0.00197 0.00036 -0.00292 0.00076 32 4YZ -0.00009 -0.00004 -0.00051 0.00080 0.01379 33 4 H 1S 0.01313 -0.02727 0.01365 0.04218 -0.01246 34 2S 0.01514 -0.02757 0.03304 0.07027 -0.02575 35 5 C 1S -0.00347 0.00792 0.00473 -0.01413 -0.00308 36 2S 0.00930 -0.01915 -0.00996 0.03815 0.00928 37 2PX -0.00841 0.02042 0.02132 -0.02484 0.00256 38 2PY 0.01017 -0.02553 -0.01214 0.03902 0.00519 39 2PZ 0.00640 -0.01564 0.00272 0.02461 0.01887 40 3S 0.00123 -0.01520 -0.04435 0.05202 0.02570 41 3PX -0.00315 0.00891 0.02188 -0.01060 -0.01401 42 3PY -0.00832 0.01165 -0.00829 -0.02478 0.00008 43 3PZ 0.00020 -0.00323 -0.01384 0.00579 0.00973 44 4XX 0.00049 -0.00100 -0.00461 0.00250 -0.00626 45 4YY -0.00171 0.00375 0.00081 -0.00901 -0.00073 46 4ZZ 0.00078 -0.00153 0.00473 0.00241 0.00727 47 4XY -0.00007 0.00020 0.00396 0.00166 0.00656 48 4XZ -0.00051 0.00119 -0.00077 -0.00149 -0.00142 49 4YZ -0.00016 0.00034 0.00613 -0.00132 0.00633 50 6 C 1S -0.00069 0.00021 0.00316 -0.00158 -0.00066 51 2S 0.00077 -0.00157 -0.00830 0.00249 0.00269 52 2PX -0.00555 0.01296 -0.00042 -0.00595 -0.03301 53 2PY 0.00244 -0.00579 -0.00711 0.00155 0.01354 54 2PZ -0.00019 0.00136 -0.01691 0.00728 -0.02480 55 3S 0.00004 0.01046 -0.00512 0.01116 -0.00756 56 3PX -0.00538 0.00990 -0.00748 -0.00686 -0.01992 57 3PY 0.00049 0.00257 0.00906 0.01068 0.00706 58 3PZ 0.00148 0.00006 -0.00139 0.00709 -0.01608 59 4XX 0.00016 -0.00054 -0.00081 0.00101 -0.00089 60 4YY 0.00001 0.00000 -0.00061 -0.00106 0.00025 61 4ZZ -0.00020 0.00010 0.00098 0.00006 0.00122 62 4XY -0.00050 0.00124 0.00124 0.00141 -0.00130 63 4XZ -0.00016 0.00029 -0.00104 -0.00100 -0.00065 64 4YZ 0.00027 -0.00073 -0.00102 -0.00130 0.00089 65 7 H 1S 0.00027 -0.00066 0.00287 -0.00590 0.00480 66 2S 0.00433 -0.00900 0.00426 -0.00108 0.01707 67 8 C 1S -0.00564 0.01232 0.01708 0.00730 -0.01143 68 2S 0.01174 -0.02527 -0.03726 -0.01625 0.02602 69 2PX -0.01769 0.04103 0.03871 0.02376 -0.05046 70 2PY 0.00621 -0.01337 -0.02442 -0.01525 0.01122 71 2PZ 0.01187 -0.02701 -0.04430 -0.01907 0.01410 72 3S 0.02646 -0.06299 -0.11911 -0.03874 0.06942 73 3PX -0.01054 0.02630 0.03617 0.00959 -0.04213 74 3PY 0.00462 -0.00455 -0.03164 -0.01208 0.01553 75 3PZ 0.00505 -0.01302 -0.02778 -0.00481 0.00981 76 4XX -0.00059 0.00106 0.00199 0.00172 -0.00423 77 4YY 0.00030 -0.00038 -0.00232 -0.00090 0.00169 78 4ZZ -0.00074 0.00162 0.00429 0.00134 0.00001 79 4XY -0.00059 0.00117 0.00248 0.00087 -0.00056 80 4XZ 0.00048 -0.00101 -0.00402 -0.00155 0.00116 81 4YZ 0.00058 -0.00132 -0.00076 -0.00055 0.00232 82 9 H 1S -0.00639 0.01466 0.02292 0.00990 -0.01411 83 2S -0.01322 0.02771 0.05698 0.02701 -0.02681 84 10 C 1S 0.01366 -0.02877 -0.04921 -0.03670 0.03827 85 2S -0.02700 0.04998 0.10326 0.08129 -0.07860 86 2PX 0.04817 -0.09788 -0.11266 -0.11148 0.15174 87 2PY 0.03450 -0.06310 -0.11026 -0.07556 0.09182 88 2PZ -0.03791 0.07829 0.15541 0.09259 -0.03236 89 3S 0.00313 0.01924 0.09754 0.06808 -0.07757 90 3PX -0.00377 -0.00032 0.00640 -0.01745 0.02279 91 3PY 0.00176 -0.01530 -0.04173 0.02334 0.03680 92 3PZ 0.00194 0.00318 0.02863 0.01188 0.01311 93 4XX -0.00219 0.00274 -0.00886 0.00458 -0.00338 94 4YY 0.00072 -0.00218 -0.00119 -0.01245 0.00156 95 4ZZ -0.00143 0.00156 0.00320 0.00402 0.00816 96 4XY -0.00646 0.01269 0.00921 0.00642 -0.01353 97 4XZ 0.00363 -0.00648 -0.00193 -0.00646 -0.00098 98 4YZ 0.00457 -0.00887 -0.01243 -0.00399 0.00154 99 11 O 1S 0.00122 -0.00293 -0.00147 0.00574 0.00026 100 2S -0.00272 0.00603 0.00279 -0.01165 0.00116 101 2PX 0.00834 -0.01540 -0.03668 0.02463 -0.05038 102 2PY -0.00778 0.01970 0.01373 -0.03343 0.01040 103 2PZ -0.00733 0.01343 -0.04981 -0.03074 -0.05725 104 3S -0.00776 0.01737 0.01030 -0.04464 -0.00839 105 3PX 0.00647 -0.01288 -0.03235 0.02009 -0.03624 106 3PY -0.00565 0.01460 0.01313 -0.02927 0.00501 107 3PZ -0.00521 0.01054 -0.03536 -0.02522 -0.04585 108 4XX 0.00021 -0.00083 -0.00111 0.00185 -0.00052 109 4YY 0.00009 -0.00009 0.00027 0.00090 0.00104 110 4ZZ 0.00014 -0.00068 -0.00025 0.00132 0.00097 111 4XY -0.00006 0.00017 -0.00107 -0.00013 -0.00198 112 4XZ -0.00021 0.00042 -0.00046 -0.00090 -0.00053 113 4YZ 0.00003 0.00001 -0.00203 -0.00032 -0.00215 114 12 O 1S -0.00270 0.00604 0.00179 0.01109 -0.00263 115 2S 0.00753 -0.01592 -0.00820 -0.02504 0.00973 116 2PX -0.02529 0.05228 0.03851 0.06073 -0.04397 117 2PY -0.01467 0.02538 0.03088 0.04290 -0.02796 118 2PZ 0.02057 -0.03877 -0.04693 -0.05380 0.01081 119 3S 0.00159 -0.00253 0.01529 -0.06120 -0.00631 120 3PX -0.02071 0.04400 0.03190 0.05172 -0.04426 121 3PY -0.00710 0.01222 0.01194 0.03593 -0.01504 122 3PZ 0.01624 -0.03181 -0.04437 -0.04590 0.00444 123 4XX 0.00015 -0.00036 -0.00208 0.00187 0.00068 124 4YY 0.00062 -0.00111 -0.00067 0.00141 -0.00007 125 4ZZ 0.00015 -0.00053 -0.00038 0.00129 0.00155 126 4XY -0.00019 0.00020 0.00159 0.00080 -0.00243 127 4XZ 0.00002 -0.00024 0.00033 -0.00132 -0.00033 128 4YZ -0.00003 -0.00016 -0.00215 -0.00051 0.00044 129 13 C 1S 0.00004 -0.00036 -0.00020 0.00058 -0.00074 130 2S 0.00024 0.00026 0.00217 -0.00109 0.00434 131 2PX -0.00001 -0.00137 0.00908 0.00280 0.01031 132 2PY 0.00017 0.00040 -0.00102 0.00071 -0.00217 133 2PZ -0.00100 0.00290 0.01207 0.00201 0.01056 134 3S -0.00218 0.00447 -0.00184 -0.00360 -0.00386 135 3PX -0.00017 -0.00121 0.00786 0.00195 0.01071 136 3PY -0.00066 -0.00005 -0.00997 -0.00015 -0.00872 137 3PZ -0.00121 0.00342 0.01491 0.00226 0.01193 138 4XX -0.00005 -0.00002 -0.00056 0.00033 -0.00131 139 4YY -0.00004 0.00005 0.00072 -0.00004 0.00096 140 4ZZ 0.00010 -0.00009 0.00008 -0.00011 0.00032 141 4XY 0.00002 0.00001 0.00046 0.00005 0.00063 142 4XZ -0.00021 0.00051 0.00013 0.00003 -0.00088 143 4YZ -0.00002 0.00007 0.00001 0.00005 -0.00005 144 14 C 1S -0.00025 0.00070 0.00081 -0.00019 0.00022 145 2S 0.00052 -0.00164 -0.00162 -0.00009 0.00102 146 2PX -0.00182 0.00454 -0.00206 0.00179 -0.01389 147 2PY 0.00013 -0.00032 -0.00050 -0.00125 0.00098 148 2PZ -0.00096 0.00135 -0.00340 0.00290 -0.01363 149 3S 0.00186 -0.00303 -0.00313 0.00004 -0.00422 150 3PX -0.00202 0.00387 -0.00306 0.00116 -0.01240 151 3PY 0.00071 -0.00115 -0.00033 -0.00162 0.00184 152 3PZ -0.00106 0.00188 -0.00408 0.00224 -0.01548 153 4XX 0.00001 0.00011 -0.00023 -0.00013 -0.00034 154 4YY 0.00003 -0.00009 -0.00010 -0.00013 0.00028 155 4ZZ -0.00009 0.00020 0.00065 0.00003 0.00063 156 4XY 0.00002 -0.00010 -0.00063 -0.00012 -0.00050 157 4XZ -0.00003 0.00005 -0.00025 -0.00003 -0.00046 158 4YZ 0.00003 0.00000 -0.00049 -0.00006 -0.00046 159 15 C 1S -0.00022 0.00090 0.00081 0.00000 -0.00028 160 2S 0.00087 -0.00200 -0.00221 -0.00118 0.00166 161 2PX 0.00002 0.00026 -0.00952 -0.00132 -0.01028 162 2PY 0.00019 -0.00009 -0.00058 0.00045 -0.00058 163 2PZ 0.00072 -0.00099 -0.01146 -0.00056 -0.01195 164 3S 0.00136 -0.00394 -0.00213 0.00104 0.00647 165 3PX 0.00006 0.00051 -0.01063 -0.00269 -0.01198 166 3PY 0.00128 -0.00240 -0.00445 -0.00201 0.00018 167 3PZ 0.00070 -0.00125 -0.00981 -0.00050 -0.00857 168 4XX 0.00000 0.00005 -0.00002 -0.00005 -0.00016 169 4YY 0.00010 -0.00016 -0.00022 -0.00019 0.00019 170 4ZZ 0.00001 0.00004 0.00040 -0.00015 0.00059 171 4XY 0.00006 -0.00013 0.00026 -0.00003 0.00075 172 4XZ -0.00010 0.00026 0.00005 0.00014 -0.00077 173 4YZ 0.00010 -0.00016 -0.00010 -0.00018 0.00051 174 16 C 1S 0.00011 0.00061 0.00046 0.00055 -0.00024 175 2S -0.00011 -0.00051 0.00204 -0.00017 0.00213 176 2PX 0.00092 -0.00056 0.00238 -0.00031 0.00643 177 2PY 0.00064 -0.00066 -0.00368 -0.00156 -0.00319 178 2PZ -0.00015 -0.00003 0.00493 -0.00051 0.00730 179 3S 0.00069 -0.00457 -0.01399 -0.00857 -0.00471 180 3PX -0.00062 0.00229 0.00442 0.00179 0.00082 181 3PY 0.00193 -0.00310 0.00482 -0.00082 0.00838 182 3PZ 0.00238 -0.00537 0.00157 -0.00383 0.01735 183 4XX 0.00020 -0.00027 -0.00078 0.00000 -0.00057 184 4YY -0.00003 0.00013 0.00054 0.00003 0.00036 185 4ZZ -0.00012 0.00044 0.00095 0.00040 -0.00011 186 4XY 0.00007 -0.00018 -0.00054 -0.00011 -0.00047 187 4XZ -0.00001 0.00017 -0.00030 -0.00014 -0.00020 188 4YZ 0.00007 0.00004 0.00000 -0.00002 -0.00023 189 17 H 1S -0.00019 0.00024 0.00308 -0.00041 0.00489 190 2S 0.00037 -0.00188 -0.00683 0.00135 -0.00367 191 18 H 1S -0.00015 0.00078 0.00061 0.00022 0.00026 192 2S 0.00002 0.00067 0.00136 0.00002 0.00155 193 19 H 1S 0.00012 -0.00041 0.00023 -0.00026 0.00200 194 2S -0.00062 0.00102 0.00403 0.00134 0.00234 195 20 H 1S -0.00005 0.00007 0.00053 -0.00030 -0.00017 196 2S -0.00331 0.00733 0.00383 0.00586 -0.01158 197 21 C 1S -0.00029 0.00200 0.00382 -0.00065 0.00342 198 2S 0.00123 -0.00368 -0.00704 0.00054 -0.00571 199 2PX -0.00319 0.01103 0.02346 -0.00191 0.02199 200 2PY -0.00075 -0.00059 0.00150 0.00080 -0.00074 201 2PZ 0.00121 -0.00203 -0.00943 -0.00056 -0.00850 202 3S -0.00147 -0.00199 -0.01835 0.00509 -0.02858 203 3PX -0.00001 0.00542 0.02448 -0.00134 0.02347 204 3PY -0.00188 0.00415 0.00623 0.00320 -0.00421 205 3PZ -0.00148 0.00014 -0.01985 -0.00084 -0.02495 206 4XX 0.00017 -0.00047 -0.00052 0.00002 -0.00070 207 4YY 0.00008 0.00027 0.00110 -0.00005 0.00089 208 4ZZ 0.00019 0.00009 -0.00040 -0.00027 -0.00055 209 4XY 0.00005 -0.00009 -0.00034 -0.00010 -0.00008 210 4XZ -0.00025 0.00064 0.00056 -0.00034 0.00014 211 4YZ 0.00002 -0.00002 -0.00023 -0.00011 -0.00005 212 22 H 1S 0.00098 -0.00631 -0.00688 0.00109 -0.00547 213 2S 0.00536 -0.00675 0.02812 0.00325 0.04011 214 23 H 1S -0.00031 0.00232 0.00056 -0.00129 0.00006 215 2S -0.00015 0.00254 0.00190 -0.00201 0.00243 6 7 8 9 10 6 3S 0.46783 7 3PX 0.04109 0.10016 8 3PY -0.01287 0.00446 0.06109 9 3PZ -0.01934 0.03213 -0.00221 0.11851 10 4XX -0.00228 0.00089 0.00229 0.00164 0.00077 11 4YY -0.00436 -0.00159 -0.00138 0.00107 -0.00023 12 4ZZ -0.00699 -0.00080 0.00101 -0.00146 0.00041 13 4XY -0.00363 0.00134 0.00024 -0.00702 -0.00005 14 4XZ -0.00916 0.00089 -0.00227 0.00016 -0.00021 15 4YZ 0.00244 -0.00704 -0.00017 -0.00284 0.00004 16 2 H 1S 0.11500 -0.06569 0.03411 0.04929 0.00343 17 2S 0.00756 -0.05597 0.02316 0.04019 0.00395 18 3 C 1S 0.02136 0.00636 0.00238 -0.00393 0.00298 19 2S -0.01375 -0.00664 -0.01747 0.00164 -0.00662 20 2PX 0.01266 0.08068 0.01572 0.08811 0.00096 21 2PY 0.13543 -0.01318 -0.09419 0.01108 -0.01058 22 2PZ -0.00305 0.09021 -0.01012 0.13410 0.00177 23 3S -0.17340 -0.00774 0.04148 0.00310 -0.00509 24 3PX -0.00774 0.05110 0.01476 0.06202 0.00095 25 3PY -0.04148 -0.01476 -0.00720 0.00816 -0.00288 26 3PZ 0.00310 0.06202 -0.00817 0.08889 0.00067 27 4XX -0.00509 0.00095 0.00288 0.00067 0.00041 28 4YY 0.01095 -0.00008 -0.00236 0.00016 -0.00024 29 4ZZ -0.00364 -0.00045 0.00206 -0.00062 0.00031 30 4XY -0.00032 0.00685 0.00018 0.00177 -0.00003 31 4XZ 0.00387 0.00013 -0.00167 0.00050 -0.00005 32 4YZ 0.00040 0.00166 -0.00009 0.00797 0.00016 33 4 H 1S -0.04955 0.00688 0.01692 -0.00639 0.00097 34 2S -0.02141 0.01551 0.01493 -0.01092 0.00181 35 5 C 1S -0.01350 -0.00469 -0.00010 0.00253 -0.00031 36 2S 0.00059 0.00188 0.01153 0.00123 0.00102 37 2PX 0.01132 0.00846 -0.00453 -0.00296 -0.00042 38 2PY -0.07902 -0.00757 0.04059 0.00269 0.00015 39 2PZ 0.00366 0.00009 0.00082 -0.00016 0.00105 40 3S 0.00232 -0.00939 0.01716 0.00367 0.00102 41 3PX 0.01710 0.00980 0.00159 -0.01086 -0.00054 42 3PY 0.01666 -0.00139 -0.00919 -0.00195 -0.00101 43 3PZ 0.00258 -0.00877 -0.00647 -0.00165 0.00054 44 4XX -0.00271 -0.00319 0.00124 -0.00422 0.00004 45 4YY 0.00423 -0.00036 -0.00325 0.00009 -0.00028 46 4ZZ -0.00440 0.00316 0.00204 0.00483 0.00009 47 4XY 0.00752 0.00281 -0.00494 0.00546 0.00015 48 4XZ 0.00251 -0.00050 -0.00099 -0.00075 -0.00003 49 4YZ -0.00452 0.00448 0.00429 0.00448 0.00004 50 6 C 1S 0.00733 0.00679 -0.00348 -0.00313 -0.00011 51 2S 0.00253 -0.00921 -0.00163 0.00379 -0.00006 52 2PX 0.03114 -0.00477 0.00503 -0.02446 0.00065 53 2PY -0.00702 -0.00347 0.00786 0.01004 -0.00096 54 2PZ 0.00479 -0.00891 0.00252 -0.01980 0.00097 55 3S 0.06266 -0.01462 -0.02824 0.00444 0.00024 56 3PX 0.02598 -0.00406 0.00094 -0.01661 0.00032 57 3PY 0.03090 0.00473 -0.00213 0.00814 -0.00058 58 3PZ 0.00043 -0.00255 0.00401 -0.00988 0.00081 59 4XX -0.00160 -0.00023 0.00070 -0.00038 -0.00002 60 4YY -0.00011 -0.00026 -0.00039 -0.00001 0.00002 61 4ZZ 0.00036 0.00054 0.00004 0.00052 0.00004 62 4XY 0.00339 0.00104 0.00145 -0.00092 -0.00004 63 4XZ 0.00020 -0.00043 -0.00045 -0.00032 -0.00005 64 4YZ -0.00220 -0.00104 -0.00089 0.00068 0.00015 65 7 H 1S -0.00100 -0.00232 -0.00508 0.00373 0.00043 66 2S -0.02671 0.00082 0.00409 0.01024 0.00090 67 8 C 1S 0.01894 0.00570 0.01124 -0.00317 -0.00107 68 2S -0.05252 -0.01792 -0.01030 0.01097 0.00200 69 2PX 0.10666 0.02462 0.03863 -0.03511 -0.00238 70 2PY -0.03209 -0.00840 -0.01389 -0.00050 0.00215 71 2PZ -0.07043 -0.03456 -0.02527 0.00556 0.00510 72 3S -0.15942 -0.04711 -0.00139 0.01647 0.00300 73 3PX 0.05097 0.01254 0.02176 -0.02133 -0.00084 74 3PY 0.00617 -0.01607 -0.01805 0.00627 0.00079 75 3PZ -0.02235 -0.01326 -0.01121 -0.00107 0.00257 76 4XX 0.00107 0.00040 -0.00040 -0.00182 -0.00001 77 4YY 0.00001 -0.00149 0.00030 0.00104 -0.00010 78 4ZZ 0.00341 0.00257 0.00113 0.00008 0.00001 79 4XY 0.00298 0.00210 0.00109 -0.00052 -0.00018 80 4XZ -0.00059 -0.00183 -0.00023 0.00025 -0.00017 81 4YZ -0.00391 -0.00124 -0.00103 0.00181 0.00018 82 9 H 1S 0.03914 0.02040 0.01605 -0.01130 -0.00153 83 2S 0.07750 0.03932 0.01376 -0.01564 -0.00142 84 10 C 1S 0.02032 0.00493 -0.01843 -0.00182 -0.00233 85 2S -0.00675 0.00877 0.02641 -0.00813 0.00390 86 2PX -0.12988 -0.04524 -0.06746 0.06915 0.00529 87 2PY -0.11506 -0.06921 0.02007 0.05467 -0.00378 88 2PZ 0.08804 0.07049 0.05630 -0.00548 0.00294 89 3S -0.01842 0.01281 0.01542 -0.01307 0.00314 90 3PX 0.00181 0.00269 -0.00600 0.01217 0.00151 91 3PY 0.01046 -0.00474 0.00181 0.00735 0.00064 92 3PZ -0.01338 0.00970 0.01033 0.00958 0.00208 93 4XX 0.00509 -0.00291 -0.00006 -0.00460 0.00014 94 4YY -0.00454 -0.00123 -0.00171 0.00118 -0.00037 95 4ZZ 0.00762 0.00510 -0.00043 0.00368 0.00006 96 4XY 0.02707 0.00429 -0.00004 -0.00744 -0.00012 97 4XZ -0.00678 -0.00131 -0.00153 -0.00073 -0.00018 98 4YZ -0.02058 -0.00744 0.00022 -0.00064 0.00021 99 11 O 1S -0.00266 0.00265 0.00273 -0.00249 0.00019 100 2S 0.01453 -0.00389 -0.00852 0.00537 -0.00025 101 2PX -0.10148 -0.02362 0.07605 -0.05373 0.00033 102 2PY 0.08468 0.01690 -0.03860 0.00735 -0.00016 103 2PZ 0.09582 -0.04284 -0.07744 -0.04532 -0.00146 104 3S 0.00852 -0.00453 -0.01302 0.00174 -0.00152 105 3PX -0.07594 -0.02004 0.05447 -0.03835 0.00027 106 3PY 0.04885 0.01185 -0.02439 0.00449 -0.00042 107 3PZ 0.06623 -0.03084 -0.05459 -0.03396 -0.00127 108 4XX -0.00226 -0.00065 0.00142 -0.00059 0.00005 109 4YY 0.00434 0.00105 -0.00142 0.00060 0.00008 110 4ZZ -0.00094 -0.00015 0.00036 0.00051 0.00003 111 4XY -0.00317 -0.00079 0.00254 -0.00232 -0.00001 112 4XZ 0.00053 -0.00040 -0.00035 -0.00045 -0.00003 113 4YZ 0.00432 -0.00178 -0.00320 -0.00212 -0.00002 114 12 O 1S 0.00426 -0.00577 0.00008 0.00352 -0.00017 115 2S -0.02170 0.00512 0.00672 -0.00198 0.00020 116 2PX 0.22511 0.02071 -0.02889 -0.02783 0.00346 117 2PY 0.12408 0.06499 -0.02953 -0.05114 0.00335 118 2PZ -0.21196 -0.05072 0.03397 0.00286 0.00216 119 3S 0.00354 0.02612 -0.00875 -0.01697 -0.00027 120 3PX 0.16932 0.01694 -0.01683 -0.02692 0.00206 121 3PY 0.06862 0.03363 -0.01254 -0.02879 0.00220 122 3PZ -0.15312 -0.04066 0.01907 -0.00110 0.00112 123 4XX 0.00261 -0.00018 -0.00076 -0.00044 0.00008 124 4YY -0.00740 -0.00399 0.00271 0.00269 -0.00011 125 4ZZ 0.00038 0.00060 -0.00003 0.00037 0.00005 126 4XY -0.00496 0.00081 0.00268 -0.00104 -0.00027 127 4XZ -0.00067 -0.00006 -0.00021 -0.00016 0.00001 128 4YZ 0.00700 0.00052 -0.00316 -0.00011 -0.00018 129 13 C 1S 0.00350 0.00079 -0.00049 -0.00196 0.00014 130 2S -0.01065 -0.00045 0.00219 0.00539 -0.00020 131 2PX 0.00889 0.00491 -0.00536 0.00536 0.00015 132 2PY -0.00380 -0.00175 0.00275 -0.00222 -0.00008 133 2PZ -0.00513 0.00320 0.00697 0.00827 -0.00016 134 3S -0.00372 -0.00197 0.00023 0.00212 -0.00084 135 3PX 0.00579 0.00439 -0.00203 0.00706 0.00015 136 3PY -0.00731 -0.00706 0.00435 -0.00608 -0.00048 137 3PZ 0.00774 0.00703 -0.00018 0.00885 -0.00004 138 4XX 0.00138 -0.00037 -0.00023 -0.00126 0.00007 139 4YY 0.00021 0.00070 -0.00006 0.00078 -0.00003 140 4ZZ -0.00043 0.00002 0.00004 0.00026 0.00001 141 4XY -0.00015 0.00024 -0.00007 0.00038 0.00001 142 4XZ 0.00110 -0.00006 0.00002 -0.00067 0.00004 143 4YZ -0.00039 -0.00011 0.00018 -0.00005 0.00000 144 14 C 1S 0.00235 0.00101 -0.00114 0.00031 0.00003 145 2S -0.00036 -0.00104 -0.00120 -0.00025 -0.00007 146 2PX 0.00959 -0.00379 0.00431 -0.01109 0.00049 147 2PY -0.00022 -0.00009 0.00097 -0.00002 -0.00018 148 2PZ 0.01315 -0.00444 -0.00213 -0.01198 0.00068 149 3S -0.00490 -0.00389 -0.00176 -0.00420 0.00024 150 3PX 0.01094 -0.00329 0.00235 -0.00961 0.00020 151 3PY -0.00656 -0.00066 0.00114 0.00144 -0.00001 152 3PZ 0.00979 -0.00472 -0.00027 -0.01238 0.00047 153 4XX 0.00002 -0.00005 -0.00001 -0.00015 0.00000 154 4YY -0.00024 0.00001 0.00003 0.00019 0.00000 155 4ZZ 0.00004 0.00028 0.00012 0.00044 0.00000 156 4XY 0.00010 -0.00032 -0.00027 -0.00048 0.00002 157 4XZ 0.00042 -0.00010 0.00001 -0.00034 0.00001 158 4YZ -0.00047 -0.00031 0.00026 -0.00040 0.00003 159 15 C 1S -0.00077 -0.00039 0.00196 0.00037 -0.00005 160 2S -0.00601 -0.00175 -0.00013 0.00155 0.00016 161 2PX 0.00516 -0.00501 -0.00208 -0.01054 0.00047 162 2PY -0.00424 -0.00098 -0.00049 0.00087 0.00028 163 2PZ -0.00737 -0.00791 0.00343 -0.01019 0.00085 164 3S -0.00406 -0.00039 0.00021 0.00247 0.00068 165 3PX 0.00040 -0.00667 -0.00070 -0.00963 0.00027 166 3PY -0.01023 -0.00394 0.00011 0.00042 0.00026 167 3PZ -0.00331 -0.00608 0.00140 -0.00833 0.00083 168 4XX 0.00038 0.00002 0.00001 -0.00010 0.00000 169 4YY -0.00028 -0.00019 -0.00023 0.00007 -0.00001 170 4ZZ -0.00003 0.00035 -0.00022 0.00040 0.00000 171 4XY -0.00007 0.00035 -0.00024 0.00056 -0.00002 172 4XZ 0.00045 -0.00014 0.00033 -0.00048 -0.00001 173 4YZ -0.00098 0.00000 0.00016 0.00045 -0.00003 174 16 C 1S -0.00447 -0.00235 0.00081 0.00076 0.00030 175 2S 0.00919 0.00619 -0.00505 0.00007 -0.00043 176 2PX -0.01942 -0.00102 0.00496 0.00685 0.00017 177 2PY -0.01023 -0.00539 0.00090 -0.00242 -0.00032 178 2PZ 0.00946 0.00873 -0.00687 0.00323 -0.00061 179 3S -0.00443 -0.00569 -0.00604 -0.00252 -0.00130 180 3PX -0.00564 0.00246 0.00383 0.00271 -0.00026 181 3PY -0.01143 0.00230 0.00252 0.00462 0.00012 182 3PZ -0.01310 0.00385 -0.00153 0.01044 -0.00009 183 4XX -0.00132 -0.00083 0.00031 -0.00051 0.00015 184 4YY 0.00003 0.00039 -0.00001 0.00028 -0.00009 185 4ZZ 0.00102 0.00054 0.00036 0.00007 -0.00002 186 4XY 0.00021 -0.00020 -0.00009 -0.00034 -0.00001 187 4XZ 0.00001 -0.00025 0.00028 -0.00036 0.00006 188 4YZ -0.00040 -0.00019 0.00028 -0.00009 -0.00001 189 17 H 1S -0.00299 0.00189 0.00084 0.00493 -0.00015 190 2S -0.00961 -0.00439 0.00536 -0.00323 -0.00031 191 18 H 1S -0.00274 -0.00009 0.00233 0.00060 -0.00001 192 2S -0.00574 0.00016 0.00304 0.00173 0.00006 193 19 H 1S 0.00228 0.00089 -0.00293 0.00119 0.00004 194 2S 0.00784 0.00374 -0.00288 0.00127 -0.00001 195 20 H 1S 0.00124 0.00107 -0.00224 -0.00083 -0.00057 196 2S 0.01887 0.00201 -0.00173 -0.00774 -0.00029 197 21 C 1S -0.00191 0.00065 0.00014 0.00231 0.00024 198 2S 0.00073 -0.00189 -0.00079 -0.00360 -0.00043 199 2PX 0.00079 0.01174 0.00151 0.01659 -0.00012 200 2PY 0.02610 0.00880 -0.01165 -0.00292 -0.00018 201 2PZ -0.00655 -0.00917 0.00024 -0.00540 0.00039 202 3S 0.00420 -0.00973 0.00043 -0.01956 -0.00025 203 3PX 0.00147 0.01386 0.00061 0.01588 0.00028 204 3PY 0.02265 0.00735 -0.00594 -0.00321 -0.00017 205 3PZ -0.00448 -0.01471 -0.00041 -0.01547 -0.00042 206 4XX -0.00036 -0.00043 -0.00008 -0.00051 0.00003 207 4YY 0.00017 0.00075 -0.00003 0.00066 -0.00005 208 4ZZ -0.00021 -0.00036 -0.00003 -0.00030 0.00001 209 4XY 0.00018 0.00011 -0.00014 -0.00011 -0.00002 210 4XZ 0.00010 0.00006 0.00007 0.00020 0.00003 211 4YZ -0.00128 -0.00044 0.00043 0.00011 0.00000 212 22 H 1S 0.00064 -0.00247 -0.00079 -0.00440 0.00013 213 2S 0.00089 0.02049 0.00057 0.02527 0.00076 214 23 H 1S -0.00223 -0.00174 0.00051 0.00094 0.00013 215 2S -0.00044 -0.00079 0.00088 0.00184 0.00048 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00008 0.00068 13 4XY 0.00002 0.00007 0.00134 14 4XZ 0.00032 0.00002 0.00018 0.00063 15 4YZ -0.00002 -0.00006 -0.00052 -0.00015 0.00105 16 2 H 1S -0.00271 -0.00090 -0.01118 -0.00781 0.00850 17 2S -0.00247 0.00118 -0.00994 -0.00490 0.00750 18 3 C 1S -0.00578 0.00263 -0.00006 -0.00085 0.00009 19 2S 0.01027 -0.00570 -0.00005 0.00197 0.00004 20 2PX 0.00025 -0.00138 -0.01407 0.00036 0.00051 21 2PY 0.00542 -0.00909 -0.00156 0.00292 0.00080 22 2PZ -0.00018 -0.00095 0.00061 0.00076 -0.01379 23 3S 0.01095 -0.00364 0.00032 0.00387 -0.00040 24 3PX -0.00008 -0.00045 -0.00685 0.00013 -0.00166 25 3PY 0.00236 -0.00206 0.00018 0.00167 -0.00009 26 3PZ 0.00016 -0.00062 -0.00177 0.00050 -0.00797 27 4XX -0.00024 0.00031 0.00003 -0.00005 -0.00016 28 4YY 0.00006 -0.00033 -0.00001 -0.00016 0.00000 29 4ZZ -0.00033 0.00035 0.00009 -0.00006 0.00007 30 4XY 0.00001 -0.00009 0.00076 0.00013 -0.00092 31 4XZ -0.00016 -0.00006 -0.00013 0.00004 0.00002 32 4YZ 0.00000 -0.00007 -0.00092 -0.00002 0.00020 33 4 H 1S 0.00158 0.00107 0.00802 -0.00008 -0.00576 34 2S -0.00105 0.00170 0.00787 -0.00056 -0.00558 35 5 C 1S -0.00041 -0.00024 0.00179 0.00004 -0.00137 36 2S 0.00092 0.00078 -0.00367 -0.00022 0.00282 37 2PX -0.00184 -0.00065 0.00464 0.00052 -0.00598 38 2PY 0.00210 -0.00005 -0.00434 -0.00063 0.00382 39 2PZ 0.00158 0.00000 -0.00604 -0.00038 0.00123 40 3S 0.00034 0.00121 -0.00524 -0.00079 0.00403 41 3PX -0.00006 -0.00041 0.00055 0.00048 -0.00136 42 3PY 0.00053 -0.00054 -0.00219 0.00002 0.00178 43 3PZ 0.00015 0.00001 -0.00154 -0.00032 -0.00012 44 4XX 0.00008 0.00001 0.00038 -0.00003 0.00014 45 4YY 0.00007 -0.00017 0.00005 0.00012 -0.00007 46 4ZZ 0.00001 0.00002 -0.00016 -0.00002 -0.00031 47 4XY -0.00024 0.00000 0.00034 0.00000 -0.00059 48 4XZ -0.00013 -0.00002 0.00006 0.00002 0.00004 49 4YZ 0.00019 -0.00014 -0.00051 0.00009 -0.00001 50 6 C 1S 0.00010 -0.00011 -0.00050 -0.00023 0.00034 51 2S -0.00001 -0.00011 0.00116 0.00038 -0.00083 52 2PX 0.00081 -0.00124 -0.00098 0.00080 0.00133 53 2PY 0.00079 0.00014 -0.00208 0.00036 0.00110 54 2PZ -0.00006 -0.00087 0.00181 0.00022 -0.00089 55 3S -0.00033 -0.00068 0.00505 0.00070 -0.00271 56 3PX 0.00053 -0.00070 -0.00147 0.00038 0.00134 57 3PY 0.00034 0.00004 -0.00126 0.00025 0.00079 58 3PZ 0.00001 -0.00058 0.00146 0.00022 -0.00089 59 4XX 0.00001 0.00007 -0.00005 -0.00006 0.00015 60 4YY -0.00003 0.00001 0.00004 0.00000 -0.00003 61 4ZZ 0.00003 -0.00002 -0.00014 0.00001 -0.00003 62 4XY 0.00005 -0.00012 0.00018 0.00013 -0.00008 63 4XZ -0.00001 0.00003 0.00012 0.00000 -0.00003 64 4YZ -0.00001 -0.00006 -0.00007 -0.00001 0.00012 65 7 H 1S -0.00004 0.00002 -0.00076 -0.00007 0.00055 66 2S 0.00003 0.00018 -0.00236 -0.00037 0.00122 67 8 C 1S 0.00030 -0.00042 0.00061 0.00054 -0.00064 68 2S -0.00038 0.00072 -0.00121 -0.00098 0.00115 69 2PX 0.00286 -0.00402 0.00264 0.00430 -0.00031 70 2PY -0.00048 0.00043 -0.00036 -0.00101 0.00090 71 2PZ -0.00135 -0.00092 -0.00049 -0.00141 0.00230 72 3S 0.00011 0.00111 -0.00500 -0.00070 0.00376 73 3PX 0.00158 -0.00240 0.00289 0.00204 -0.00100 74 3PY 0.00040 -0.00015 -0.00040 0.00003 0.00114 75 3PZ -0.00086 -0.00069 -0.00130 -0.00039 0.00144 76 4XX -0.00016 0.00016 0.00015 -0.00021 -0.00015 77 4YY 0.00016 -0.00002 -0.00004 0.00014 0.00006 78 4ZZ 0.00005 -0.00016 0.00016 0.00010 -0.00011 79 4XY 0.00002 -0.00010 0.00010 0.00012 -0.00004 80 4XZ 0.00012 0.00001 -0.00014 0.00015 0.00009 81 4YZ -0.00004 0.00003 -0.00004 -0.00010 0.00012 82 9 H 1S 0.00084 -0.00049 0.00105 0.00104 -0.00096 83 2S -0.00035 -0.00060 0.00164 0.00060 -0.00200 84 10 C 1S 0.00018 -0.00119 -0.00425 0.00326 0.00335 85 2S -0.00194 0.00138 0.00820 -0.00649 -0.00643 86 2PX 0.00090 -0.00089 -0.00617 0.00256 0.00737 87 2PY 0.00945 -0.00046 -0.00135 0.00683 0.00084 88 2PZ -0.00071 -0.00620 0.00744 -0.00006 -0.00206 89 3S -0.00254 0.00151 0.00848 -0.00436 -0.00592 90 3PX 0.00033 -0.00160 -0.00044 0.00077 0.00210 91 3PY -0.00059 0.00032 -0.00317 0.00068 0.00219 92 3PZ 0.00048 -0.00256 0.00283 0.00074 0.00040 93 4XX -0.00032 -0.00003 -0.00027 -0.00022 0.00058 94 4YY 0.00057 -0.00014 0.00007 0.00046 -0.00001 95 4ZZ -0.00031 -0.00002 -0.00058 -0.00004 0.00000 96 4XY -0.00030 -0.00034 0.00058 -0.00015 0.00025 97 4XZ 0.00023 0.00007 0.00005 0.00041 -0.00002 98 4YZ 0.00019 0.00005 0.00015 0.00013 0.00063 99 11 O 1S 0.00023 0.00014 0.00004 -0.00010 0.00004 100 2S -0.00033 -0.00014 0.00010 0.00030 -0.00032 101 2PX -0.00031 0.00138 -0.00192 -0.00032 0.00296 102 2PY -0.00095 0.00003 0.00149 0.00070 -0.00169 103 2PZ 0.00010 -0.00022 0.00269 -0.00031 -0.00014 104 3S 0.00031 -0.00118 -0.00085 0.00046 0.00040 105 3PX -0.00010 0.00108 -0.00171 -0.00037 0.00275 106 3PY -0.00038 -0.00029 0.00072 0.00049 -0.00100 107 3PZ 0.00001 -0.00015 0.00243 -0.00017 -0.00002 108 4XX -0.00001 0.00005 0.00008 -0.00002 -0.00001 109 4YY -0.00007 0.00007 0.00005 0.00002 -0.00004 110 4ZZ 0.00000 0.00003 0.00001 -0.00001 -0.00005 111 4XY -0.00006 0.00003 0.00005 0.00000 -0.00004 112 4XZ 0.00001 -0.00002 -0.00002 0.00001 0.00002 113 4YZ 0.00003 0.00001 -0.00004 -0.00003 0.00002 114 12 O 1S -0.00116 -0.00023 -0.00032 -0.00005 0.00036 115 2S 0.00225 0.00064 0.00043 0.00055 -0.00069 116 2PX -0.00335 -0.00240 0.00346 0.00003 0.00619 117 2PY -0.00816 -0.00087 -0.00351 -0.00276 0.00512 118 2PZ 0.00486 -0.00470 0.00642 0.00256 0.00479 119 3S 0.00149 -0.00050 -0.00011 0.00060 0.00032 120 3PX -0.00264 -0.00152 0.00287 -0.00031 0.00400 121 3PY -0.00461 -0.00018 -0.00172 -0.00174 0.00281 122 3PZ 0.00336 -0.00276 0.00397 0.00173 0.00364 123 4XX -0.00015 0.00000 -0.00013 0.00000 0.00020 124 4YY 0.00038 0.00017 0.00033 0.00000 -0.00046 125 4ZZ -0.00009 -0.00002 -0.00009 0.00002 0.00008 126 4XY 0.00005 0.00014 -0.00002 -0.00008 -0.00043 127 4XZ 0.00005 -0.00005 0.00008 0.00005 0.00003 128 4YZ -0.00021 0.00036 -0.00050 -0.00012 -0.00014 129 13 C 1S 0.00001 -0.00011 -0.00005 0.00009 0.00002 130 2S -0.00010 0.00030 -0.00012 -0.00022 -0.00001 131 2PX 0.00003 -0.00059 0.00002 0.00062 -0.00022 132 2PY -0.00005 0.00033 -0.00017 -0.00036 -0.00010 133 2PZ 0.00018 -0.00027 0.00001 0.00013 -0.00034 134 3S 0.00011 0.00037 0.00067 -0.00030 0.00006 135 3PX 0.00016 -0.00060 -0.00013 0.00055 -0.00011 136 3PY 0.00025 0.00024 0.00014 -0.00014 0.00034 137 3PZ -0.00006 -0.00030 0.00010 0.00019 -0.00082 138 4XX -0.00001 -0.00007 0.00004 0.00007 0.00001 139 4YY 0.00000 0.00001 -0.00002 -0.00002 -0.00001 140 4ZZ 0.00000 0.00002 -0.00004 -0.00003 0.00001 141 4XY 0.00001 0.00000 -0.00001 -0.00001 -0.00001 142 4XZ 0.00003 -0.00005 0.00004 0.00001 -0.00002 143 4YZ 0.00000 0.00001 0.00000 -0.00002 -0.00001 144 14 C 1S 0.00009 -0.00002 -0.00001 -0.00004 0.00004 145 2S -0.00008 0.00004 0.00002 0.00012 -0.00005 146 2PX 0.00028 -0.00080 0.00065 0.00058 0.00012 147 2PY 0.00001 0.00013 -0.00003 -0.00011 -0.00010 148 2PZ 0.00006 -0.00097 0.00071 0.00103 0.00028 149 3S -0.00038 0.00034 -0.00003 -0.00005 -0.00027 150 3PX 0.00032 -0.00079 0.00069 0.00065 0.00023 151 3PY -0.00003 0.00026 -0.00026 -0.00024 0.00001 152 3PZ -0.00002 -0.00057 0.00057 0.00062 0.00009 153 4XX 0.00000 0.00001 0.00000 -0.00002 0.00001 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00001 -0.00002 -0.00001 0.00000 -0.00002 156 4XY 0.00000 -0.00002 0.00000 0.00002 0.00003 157 4XZ 0.00001 -0.00002 0.00000 0.00002 0.00002 158 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00003 159 15 C 1S 0.00008 0.00001 -0.00001 0.00006 -0.00005 160 2S -0.00018 0.00016 -0.00003 -0.00011 0.00006 161 2PX 0.00025 -0.00037 0.00005 0.00031 0.00056 162 2PY -0.00007 -0.00001 -0.00006 -0.00005 0.00019 163 2PZ -0.00002 -0.00015 0.00010 0.00029 0.00072 164 3S 0.00001 -0.00065 0.00022 0.00053 0.00052 165 3PX 0.00010 -0.00001 0.00001 0.00003 0.00047 166 3PY -0.00005 0.00014 -0.00012 -0.00010 0.00026 167 3PZ 0.00006 -0.00044 0.00020 0.00039 0.00087 168 4XX 0.00001 -0.00004 0.00001 0.00003 0.00000 169 4YY -0.00001 0.00002 -0.00001 -0.00001 -0.00001 170 4ZZ 0.00000 0.00002 -0.00003 -0.00003 -0.00001 171 4XY -0.00001 0.00003 -0.00003 -0.00004 -0.00001 172 4XZ 0.00001 -0.00002 0.00003 0.00003 -0.00001 173 4YZ -0.00001 0.00006 -0.00004 -0.00004 0.00000 174 16 C 1S 0.00003 0.00013 0.00006 0.00001 0.00016 175 2S -0.00001 0.00002 -0.00019 -0.00006 -0.00035 176 2PX -0.00026 0.00094 -0.00049 -0.00062 0.00001 177 2PY 0.00002 0.00044 -0.00025 0.00003 -0.00020 178 2PZ 0.00000 0.00072 -0.00062 -0.00056 -0.00030 179 3S 0.00049 0.00076 -0.00035 -0.00023 -0.00044 180 3PX -0.00024 0.00086 -0.00049 -0.00057 -0.00051 181 3PY 0.00010 -0.00005 -0.00044 0.00023 -0.00055 182 3PZ 0.00022 0.00045 -0.00083 -0.00025 -0.00027 183 4XX -0.00002 -0.00007 0.00004 0.00003 0.00008 184 4YY 0.00000 0.00006 -0.00004 -0.00004 -0.00006 185 4ZZ 0.00001 -0.00004 0.00003 0.00002 -0.00004 186 4XY 0.00000 -0.00001 0.00001 0.00003 0.00002 187 4XZ 0.00005 -0.00007 0.00001 0.00003 0.00004 188 4YZ 0.00000 0.00001 0.00000 0.00001 -0.00002 189 17 H 1S 0.00003 -0.00001 0.00000 0.00004 0.00001 190 2S 0.00018 0.00007 -0.00024 0.00000 0.00063 191 18 H 1S 0.00003 0.00008 -0.00002 -0.00014 -0.00006 192 2S -0.00001 0.00020 -0.00019 -0.00029 -0.00004 193 19 H 1S 0.00000 -0.00006 -0.00007 -0.00005 0.00004 194 2S 0.00005 -0.00019 0.00002 0.00003 -0.00007 195 20 H 1S 0.00002 0.00038 -0.00026 -0.00011 -0.00036 196 2S -0.00041 0.00020 0.00044 -0.00032 0.00047 197 21 C 1S 0.00027 0.00012 -0.00007 -0.00007 -0.00013 198 2S -0.00037 0.00021 0.00012 0.00010 0.00024 199 2PX 0.00102 -0.00019 -0.00039 -0.00127 -0.00088 200 2PY 0.00001 -0.00026 0.00009 0.00015 -0.00014 201 2PZ -0.00003 -0.00027 0.00035 0.00038 0.00040 202 3S -0.00058 0.00029 0.00066 -0.00007 0.00126 203 3PX 0.00037 -0.00035 -0.00056 -0.00049 -0.00084 204 3PY -0.00021 -0.00020 0.00042 0.00004 -0.00031 205 3PZ 0.00000 0.00033 0.00083 -0.00020 0.00109 206 4XX -0.00004 -0.00001 0.00002 0.00006 0.00003 207 4YY 0.00002 0.00003 -0.00003 -0.00004 -0.00004 208 4ZZ 0.00002 -0.00002 0.00003 -0.00002 0.00001 209 4XY 0.00000 0.00004 -0.00003 -0.00002 0.00001 210 4XZ 0.00006 -0.00006 0.00001 -0.00004 -0.00002 211 4YZ 0.00000 0.00004 -0.00002 -0.00003 0.00001 212 22 H 1S -0.00075 -0.00005 -0.00005 0.00091 0.00021 213 2S -0.00066 -0.00041 -0.00139 0.00102 -0.00159 214 23 H 1S 0.00029 -0.00029 0.00014 -0.00023 -0.00002 215 2S 0.00042 -0.00061 0.00004 0.00003 -0.00026 16 17 18 19 20 16 2 H 1S 0.21460 17 2S 0.15568 0.13803 18 3 C 1S 0.01313 0.01514 2.05488 19 2S -0.02727 -0.02757 -0.06574 0.33152 20 2PX 0.01364 0.03304 0.00144 -0.00055 0.38170 21 2PY -0.04218 -0.07027 0.00125 -0.00083 0.00498 22 2PZ -0.01246 -0.02575 -0.00041 -0.00136 -0.05073 23 3S -0.04955 -0.02141 -0.19989 0.32136 0.04481 24 3PX 0.00688 0.01551 -0.00666 0.00062 0.18111 25 3PY -0.01692 -0.01493 -0.00006 -0.00777 -0.00920 26 3PZ -0.00639 -0.01092 0.00308 0.00234 0.02286 27 4XX 0.00097 0.00181 -0.01656 -0.00528 0.00036 28 4YY 0.00158 -0.00105 -0.01817 -0.00063 -0.00174 29 4ZZ 0.00107 0.00170 -0.01420 -0.01001 -0.00184 30 4XY -0.00802 -0.00787 -0.00169 0.00321 -0.00846 31 4XZ -0.00008 -0.00056 0.00448 -0.00901 0.00226 32 4YZ 0.00576 0.00558 0.00124 -0.00242 0.01509 33 4 H 1S -0.02309 -0.02565 -0.06142 0.11783 -0.18292 34 2S -0.02565 -0.03016 -0.01091 0.02323 -0.15807 35 5 C 1S -0.00877 -0.01160 0.01366 -0.02877 -0.04921 36 2S 0.01999 0.02373 -0.02700 0.04998 0.10326 37 2PX -0.02590 -0.04198 0.04817 -0.09787 -0.11265 38 2PY 0.02210 0.03318 -0.03450 0.06311 0.11026 39 2PZ 0.02038 0.03423 -0.03791 0.07828 0.15541 40 3S 0.04606 0.04563 0.00313 0.01924 0.09754 41 3PX -0.01497 -0.01735 -0.00377 -0.00032 0.00640 42 3PY 0.00466 0.00638 -0.00176 0.01530 0.04173 43 3PZ 0.01105 0.01354 0.00194 0.00318 0.02863 44 4XX 0.00002 -0.00011 -0.00219 0.00274 -0.00886 45 4YY -0.00227 -0.00287 0.00072 -0.00218 -0.00119 46 4ZZ 0.00050 0.00097 -0.00143 0.00156 0.00320 47 4XY -0.00084 -0.00294 0.00646 -0.01269 -0.00921 48 4XZ -0.00031 -0.00078 0.00363 -0.00648 -0.00193 49 4YZ 0.00019 0.00120 -0.00457 0.00887 0.01243 50 6 C 1S 0.00094 0.00686 -0.00564 0.01231 0.01708 51 2S -0.00128 -0.01143 0.01174 -0.02527 -0.03726 52 2PX -0.00183 0.00042 -0.01769 0.04103 0.03871 53 2PY 0.00861 0.00560 -0.00621 0.01336 0.02442 54 2PZ -0.00421 -0.01314 0.01187 -0.02701 -0.04430 55 3S -0.00950 -0.04183 0.02646 -0.06299 -0.11911 56 3PX 0.00310 0.00360 -0.01054 0.02630 0.03617 57 3PY 0.00480 -0.00421 -0.00462 0.00455 0.03164 58 3PZ -0.00616 -0.01103 0.00505 -0.01302 -0.02778 59 4XX 0.00053 0.00103 -0.00059 0.00106 0.00199 60 4YY -0.00008 -0.00008 0.00030 -0.00038 -0.00232 61 4ZZ 0.00031 0.00073 -0.00074 0.00162 0.00429 62 4XY -0.00079 -0.00237 0.00059 -0.00117 -0.00248 63 4XZ -0.00024 -0.00041 0.00048 -0.00101 -0.00402 64 4YZ 0.00051 0.00136 -0.00058 0.00132 0.00076 65 7 H 1S 0.00187 0.00771 -0.00639 0.01466 0.02292 66 2S 0.00819 0.02121 -0.01322 0.02771 0.05698 67 8 C 1S -0.00676 -0.01486 -0.00069 0.00021 0.00316 68 2S 0.01375 0.02719 0.00077 -0.00157 -0.00830 69 2PX -0.02259 -0.05707 -0.00555 0.01296 -0.00042 70 2PY 0.00859 0.02511 -0.00244 0.00579 0.00711 71 2PZ 0.01593 0.03574 -0.00019 0.00136 -0.01691 72 3S 0.04551 0.08774 0.00004 0.01046 -0.00512 73 3PX -0.02318 -0.04329 -0.00538 0.00990 -0.00748 74 3PY 0.01279 0.00934 -0.00049 -0.00257 -0.00906 75 3PZ 0.01315 0.02387 0.00148 0.00006 -0.00139 76 4XX -0.00100 -0.00053 0.00016 -0.00054 -0.00081 77 4YY 0.00075 -0.00060 0.00001 0.00000 -0.00061 78 4ZZ -0.00123 -0.00192 -0.00020 0.00010 0.00098 79 4XY -0.00115 -0.00186 0.00050 -0.00124 -0.00124 80 4XZ 0.00098 0.00042 -0.00016 0.00029 -0.00104 81 4YZ 0.00096 0.00187 -0.00027 0.00073 0.00102 82 9 H 1S -0.01126 -0.02021 0.00027 -0.00066 0.00287 83 2S -0.01955 -0.03230 0.00433 -0.00900 0.00426 84 10 C 1S 0.01124 0.02036 -0.00347 0.00792 0.00474 85 2S -0.02469 -0.03633 0.00930 -0.01915 -0.00996 86 2PX 0.03847 0.07441 -0.00841 0.02042 0.02132 87 2PY 0.01482 -0.00999 -0.01017 0.02553 0.01214 88 2PZ -0.02902 -0.05440 0.00640 -0.01564 0.00272 89 3S -0.04010 -0.04371 0.00123 -0.01520 -0.04435 90 3PX 0.00238 0.00219 -0.00315 0.00891 0.02188 91 3PY 0.03175 0.03071 0.00832 -0.01165 0.00829 92 3PZ -0.00723 -0.00844 0.00020 -0.00323 -0.01384 93 4XX 0.00562 0.00557 0.00049 -0.00100 -0.00461 94 4YY -0.00409 -0.00358 -0.00171 0.00375 0.00081 95 4ZZ 0.00333 0.00300 0.00078 -0.00153 0.00473 96 4XY -0.00171 -0.00728 0.00007 -0.00020 -0.00396 97 4XZ -0.00408 -0.00228 -0.00051 0.00119 -0.00077 98 4YZ 0.00140 0.00557 0.00016 -0.00034 -0.00613 99 11 O 1S 0.00163 0.00255 -0.00270 0.00604 0.00179 100 2S -0.00307 -0.00556 0.00753 -0.01592 -0.00820 101 2PX 0.01278 0.02786 -0.02529 0.05228 0.03851 102 2PY -0.01251 -0.02161 0.01467 -0.02539 -0.03088 103 2PZ -0.00860 -0.01565 0.02057 -0.03877 -0.04693 104 3S -0.01181 -0.00992 0.00159 -0.00253 0.01529 105 3PX 0.01307 0.02501 -0.02071 0.04400 0.03190 106 3PY -0.01111 -0.01538 0.00710 -0.01222 -0.01194 107 3PZ -0.00911 -0.01457 0.01624 -0.03181 -0.04437 108 4XX 0.00044 0.00038 0.00015 -0.00036 -0.00208 109 4YY 0.00016 -0.00034 0.00062 -0.00111 -0.00067 110 4ZZ 0.00046 0.00036 0.00015 -0.00053 -0.00038 111 4XY -0.00019 -0.00004 0.00019 -0.00020 -0.00159 112 4XZ -0.00007 -0.00011 0.00002 -0.00024 0.00033 113 4YZ 0.00015 0.00025 0.00003 0.00016 0.00215 114 12 O 1S 0.00337 -0.00418 0.00122 -0.00293 -0.00147 115 2S -0.00650 0.00679 -0.00272 0.00603 0.00279 116 2PX 0.01146 -0.04155 0.00834 -0.01540 -0.03668 117 2PY 0.01588 0.05049 0.00778 -0.01970 -0.01373 118 2PZ -0.01504 0.01745 -0.00733 0.01343 -0.04981 119 3S -0.02321 0.00404 -0.00776 0.01737 0.01030 120 3PX 0.00651 -0.03275 0.00647 -0.01288 -0.03235 121 3PY 0.01368 0.03116 0.00565 -0.01460 -0.01313 122 3PZ -0.00974 0.01584 -0.00521 0.01054 -0.03536 123 4XX 0.00169 0.00147 0.00021 -0.00083 -0.00111 124 4YY -0.00065 -0.00314 0.00009 -0.00009 0.00027 125 4ZZ 0.00085 0.00111 0.00014 -0.00068 -0.00025 126 4XY -0.00149 -0.00001 0.00006 -0.00017 0.00107 127 4XZ -0.00078 -0.00059 -0.00021 0.00042 -0.00046 128 4YZ 0.00147 0.00098 -0.00003 -0.00001 0.00203 129 13 C 1S -0.00010 -0.00006 0.00011 0.00061 0.00046 130 2S 0.00050 0.00073 -0.00011 -0.00051 0.00204 131 2PX -0.00128 -0.00297 0.00092 -0.00056 0.00238 132 2PY 0.00069 0.00146 -0.00064 0.00066 0.00368 133 2PZ -0.00120 -0.00545 -0.00015 -0.00003 0.00493 134 3S -0.00134 -0.00305 0.00069 -0.00457 -0.01399 135 3PX -0.00040 -0.00268 -0.00062 0.00229 0.00442 136 3PY 0.00146 0.00138 -0.00193 0.00310 -0.00482 137 3PZ -0.00242 -0.00654 0.00238 -0.00537 0.00157 138 4XX -0.00021 -0.00043 0.00020 -0.00027 -0.00078 139 4YY 0.00005 0.00007 -0.00003 0.00013 0.00054 140 4ZZ 0.00015 0.00040 -0.00012 0.00044 0.00095 141 4XY 0.00003 0.00009 -0.00007 0.00018 0.00054 142 4XZ -0.00023 -0.00049 -0.00001 0.00017 -0.00030 143 4YZ 0.00002 0.00000 -0.00007 -0.00004 0.00000 144 14 C 1S 0.00007 0.00002 -0.00022 0.00090 0.00081 145 2S 0.00008 0.00040 0.00087 -0.00200 -0.00221 146 2PX -0.00307 -0.00818 0.00002 0.00026 -0.00952 147 2PY 0.00006 0.00090 -0.00019 0.00009 0.00058 148 2PZ -0.00332 -0.00690 0.00072 -0.00099 -0.01146 149 3S -0.00093 0.00148 0.00136 -0.00394 -0.00213 150 3PX -0.00268 -0.00745 0.00006 0.00051 -0.01063 151 3PY 0.00070 0.00262 -0.00128 0.00240 0.00445 152 3PZ -0.00307 -0.00580 0.00070 -0.00125 -0.00981 153 4XX 0.00003 0.00008 0.00000 0.00005 -0.00002 154 4YY 0.00004 0.00005 0.00010 -0.00016 -0.00022 155 4ZZ -0.00004 -0.00023 0.00001 0.00004 0.00040 156 4XY 0.00005 0.00015 -0.00006 0.00013 -0.00026 157 4XZ -0.00001 0.00000 -0.00010 0.00026 0.00005 158 4YZ 0.00011 0.00021 -0.00010 0.00016 0.00010 159 15 C 1S -0.00042 -0.00134 -0.00025 0.00070 0.00081 160 2S 0.00085 0.00231 0.00052 -0.00164 -0.00162 161 2PX 0.00067 0.00091 -0.00182 0.00454 -0.00206 162 2PY 0.00069 0.00085 -0.00013 0.00032 0.00050 163 2PZ 0.00119 0.00263 -0.00096 0.00135 -0.00340 164 3S 0.00143 0.00218 0.00186 -0.00303 -0.00313 165 3PX 0.00074 0.00146 -0.00202 0.00387 -0.00306 166 3PY 0.00125 0.00314 -0.00071 0.00115 0.00033 167 3PZ 0.00130 0.00231 -0.00106 0.00188 -0.00408 168 4XX -0.00010 -0.00025 0.00001 0.00011 -0.00023 169 4YY 0.00005 0.00014 0.00003 -0.00009 -0.00010 170 4ZZ 0.00006 0.00017 -0.00009 0.00020 0.00065 171 4XY 0.00017 0.00035 -0.00002 0.00010 0.00063 172 4XZ -0.00021 -0.00043 -0.00003 0.00005 -0.00025 173 4YZ 0.00019 0.00043 -0.00003 0.00000 0.00049 174 16 C 1S 0.00024 -0.00025 0.00004 -0.00036 -0.00020 175 2S -0.00040 0.00095 0.00024 0.00026 0.00217 176 2PX 0.00237 0.00527 -0.00001 -0.00137 0.00908 177 2PY -0.00035 0.00077 -0.00017 -0.00040 0.00102 178 2PZ 0.00135 0.00440 -0.00100 0.00290 0.01207 179 3S 0.00006 0.00211 -0.00218 0.00447 -0.00184 180 3PX 0.00064 0.00180 -0.00017 -0.00121 0.00786 181 3PY -0.00098 0.00112 0.00066 0.00005 0.00997 182 3PZ 0.00285 0.00736 -0.00121 0.00342 0.01491 183 4XX 0.00013 0.00030 -0.00005 -0.00002 -0.00056 184 4YY -0.00004 0.00003 -0.00004 0.00005 0.00072 185 4ZZ -0.00028 -0.00060 0.00010 -0.00009 0.00008 186 4XY -0.00003 -0.00005 -0.00002 -0.00001 -0.00046 187 4XZ 0.00004 -0.00008 -0.00021 0.00051 0.00013 188 4YZ -0.00009 -0.00011 0.00002 -0.00007 -0.00001 189 17 H 1S 0.00005 -0.00057 -0.00005 0.00007 0.00053 190 2S 0.00270 0.00357 -0.00331 0.00733 0.00383 191 18 H 1S 0.00015 -0.00053 0.00012 -0.00041 0.00023 192 2S 0.00077 0.00101 -0.00062 0.00102 0.00403 193 19 H 1S 0.00056 0.00078 -0.00015 0.00078 0.00061 194 2S -0.00035 -0.00121 0.00002 0.00067 0.00135 195 20 H 1S -0.00041 0.00049 -0.00019 0.00024 0.00308 196 2S -0.00048 -0.00307 0.00037 -0.00188 -0.00683 197 21 C 1S -0.00019 -0.00044 -0.00029 0.00200 0.00382 198 2S 0.00030 0.00096 0.00123 -0.00368 -0.00704 199 2PX 0.00036 -0.00188 -0.00319 0.01103 0.02346 200 2PY -0.00094 -0.00002 0.00075 0.00059 -0.00150 201 2PZ -0.00011 -0.00018 0.00121 -0.00203 -0.00943 202 3S 0.00082 0.00144 -0.00147 -0.00199 -0.01835 203 3PX -0.00106 -0.00127 -0.00001 0.00542 0.02448 204 3PY -0.00244 -0.00409 0.00188 -0.00415 -0.00623 205 3PZ 0.00050 0.00094 -0.00148 0.00014 -0.01985 206 4XX -0.00015 0.00002 0.00017 -0.00047 -0.00052 207 4YY -0.00008 -0.00005 0.00008 0.00027 0.00110 208 4ZZ -0.00008 -0.00006 0.00019 0.00009 -0.00040 209 4XY 0.00013 0.00030 -0.00005 0.00009 0.00034 210 4XZ -0.00010 -0.00027 -0.00025 0.00064 0.00056 211 4YZ 0.00009 0.00015 -0.00002 0.00002 0.00023 212 22 H 1S -0.00051 0.00086 0.00098 -0.00631 -0.00688 213 2S -0.00080 0.00062 0.00536 -0.00675 0.02812 214 23 H 1S -0.00003 -0.00088 -0.00031 0.00232 0.00056 215 2S -0.00053 -0.00214 -0.00015 0.00254 0.00190 21 22 23 24 25 21 2PY 0.44170 22 2PZ -0.00246 0.35287 23 3S -0.08109 -0.03012 0.46783 24 3PX -0.01416 0.02128 0.04109 0.10016 25 3PY 0.11831 0.00422 0.01287 -0.00446 0.06109 26 3PZ 0.00793 0.19447 -0.01934 0.03213 0.00221 27 4XX -0.01190 0.00350 -0.00228 0.00088 -0.00229 28 4YY 0.01162 0.00145 -0.00436 -0.00159 0.00138 29 4ZZ -0.00669 -0.00204 -0.00699 -0.00080 -0.00101 30 4XY -0.00095 0.01510 0.00363 -0.00134 0.00024 31 4XZ 0.01010 -0.00008 -0.00916 0.00089 0.00227 32 4YZ 0.00109 0.00056 -0.00244 0.00704 -0.00017 33 4 H 1S -0.14460 0.13429 0.11500 -0.06569 -0.03411 34 2S -0.10740 0.11584 0.00756 -0.05597 -0.02316 35 5 C 1S 0.03670 0.03827 0.02032 0.00493 0.01843 36 2S -0.08129 -0.07860 -0.00675 0.00877 -0.02641 37 2PX 0.11148 0.15174 -0.12988 -0.04523 0.06746 38 2PY -0.07556 -0.09182 0.11506 0.06921 0.02007 39 2PZ -0.09259 -0.03236 0.08804 0.07049 -0.05630 40 3S -0.06809 -0.07757 -0.01842 0.01281 -0.01542 41 3PX 0.01745 0.02279 0.00181 0.00269 0.00600 42 3PY 0.02334 -0.03680 -0.01046 0.00474 0.00181 43 3PZ -0.01188 0.01311 -0.01338 0.00970 -0.01034 44 4XX -0.00458 -0.00338 0.00509 -0.00291 0.00006 45 4YY 0.01245 0.00156 -0.00454 -0.00123 0.00171 46 4ZZ -0.00402 0.00816 0.00762 0.00510 0.00043 47 4XY 0.00642 0.01353 -0.02708 -0.00429 -0.00004 48 4XZ 0.00646 -0.00098 -0.00678 -0.00131 0.00153 49 4YZ -0.00399 -0.00154 0.02058 0.00744 0.00022 50 6 C 1S -0.00730 -0.01143 0.01894 0.00570 -0.01124 51 2S 0.01625 0.02602 -0.05252 -0.01792 0.01030 52 2PX -0.02377 -0.05046 0.10666 0.02462 -0.03863 53 2PY -0.01525 -0.01122 0.03209 0.00840 -0.01389 54 2PZ 0.01907 0.01410 -0.07043 -0.03456 0.02527 55 3S 0.03874 0.06942 -0.15942 -0.04710 0.00139 56 3PX -0.00959 -0.04214 0.05097 0.01254 -0.02176 57 3PY -0.01208 -0.01553 -0.00617 0.01607 -0.01805 58 3PZ 0.00481 0.00981 -0.02235 -0.01326 0.01121 59 4XX -0.00172 -0.00423 0.00107 0.00040 0.00040 60 4YY 0.00090 0.00169 0.00002 -0.00149 -0.00030 61 4ZZ -0.00134 0.00001 0.00341 0.00257 -0.00113 62 4XY 0.00087 0.00056 -0.00298 -0.00210 0.00109 63 4XZ 0.00155 0.00116 -0.00059 -0.00182 0.00023 64 4YZ -0.00055 -0.00232 0.00391 0.00124 -0.00103 65 7 H 1S -0.00990 -0.01411 0.03914 0.02040 -0.01605 66 2S -0.02701 -0.02681 0.07750 0.03932 -0.01376 67 8 C 1S 0.00158 -0.00066 0.00733 0.00679 0.00348 68 2S -0.00249 0.00269 0.00253 -0.00921 0.00163 69 2PX 0.00595 -0.03301 0.03114 -0.00477 -0.00503 70 2PY 0.00155 -0.01354 0.00701 0.00347 0.00785 71 2PZ -0.00728 -0.02480 0.00479 -0.00891 -0.00252 72 3S -0.01116 -0.00756 0.06266 -0.01462 0.02824 73 3PX 0.00686 -0.01992 0.02598 -0.00406 -0.00094 74 3PY 0.01068 -0.00706 -0.03090 -0.00473 -0.00213 75 3PZ -0.00709 -0.01608 0.00043 -0.00255 -0.00401 76 4XX -0.00101 -0.00089 -0.00160 -0.00023 -0.00070 77 4YY 0.00106 0.00025 -0.00011 -0.00026 0.00039 78 4ZZ -0.00006 0.00122 0.00036 0.00054 -0.00004 79 4XY 0.00141 0.00129 -0.00339 -0.00104 0.00145 80 4XZ 0.00100 -0.00065 0.00020 -0.00043 0.00045 81 4YZ -0.00131 -0.00089 0.00220 0.00104 -0.00089 82 9 H 1S 0.00590 0.00480 -0.00100 -0.00232 0.00508 83 2S 0.00108 0.01707 -0.02671 0.00082 -0.00409 84 10 C 1S 0.01413 -0.00308 -0.01350 -0.00469 0.00010 85 2S -0.03815 0.00928 0.00059 0.00188 -0.01153 86 2PX 0.02484 0.00256 0.01132 0.00846 0.00453 87 2PY 0.03902 -0.00519 0.07902 0.00757 0.04059 88 2PZ -0.02461 0.01887 0.00366 0.00009 -0.00082 89 3S -0.05202 0.02570 0.00232 -0.00939 -0.01716 90 3PX 0.01060 -0.01401 0.01710 0.00980 -0.00159 91 3PY -0.02478 -0.00008 -0.01666 0.00139 -0.00919 92 3PZ -0.00579 0.00973 0.00258 -0.00877 0.00647 93 4XX -0.00250 -0.00626 -0.00272 -0.00319 -0.00124 94 4YY 0.00901 -0.00073 0.00423 -0.00036 0.00325 95 4ZZ -0.00241 0.00727 -0.00440 0.00316 -0.00204 96 4XY 0.00166 -0.00656 -0.00752 -0.00281 -0.00494 97 4XZ 0.00149 -0.00142 0.00251 -0.00050 0.00099 98 4YZ -0.00132 -0.00633 0.00452 -0.00448 0.00429 99 11 O 1S -0.01109 -0.00263 0.00426 -0.00577 -0.00008 100 2S 0.02505 0.00973 -0.02169 0.00512 -0.00672 101 2PX -0.06074 -0.04397 0.22511 0.02071 0.02889 102 2PY 0.04290 0.02796 -0.12408 -0.06500 -0.02953 103 2PZ 0.05380 0.01081 -0.21196 -0.05072 -0.03397 104 3S 0.06119 -0.00631 0.00354 0.02612 0.00875 105 3PX -0.05172 -0.04426 0.16932 0.01694 0.01683 106 3PY 0.03593 0.01504 -0.06862 -0.03364 -0.01254 107 3PZ 0.04590 0.00444 -0.15312 -0.04066 -0.01907 108 4XX -0.00187 0.00068 0.00261 -0.00018 0.00076 109 4YY -0.00141 -0.00007 -0.00740 -0.00399 -0.00271 110 4ZZ -0.00129 0.00155 0.00038 0.00060 0.00003 111 4XY 0.00080 0.00243 0.00496 -0.00081 0.00268 112 4XZ 0.00132 -0.00033 -0.00067 -0.00006 0.00021 113 4YZ -0.00051 -0.00044 -0.00700 -0.00052 -0.00316 114 12 O 1S -0.00574 0.00026 -0.00266 0.00265 -0.00273 115 2S 0.01165 0.00116 0.01453 -0.00389 0.00852 116 2PX -0.02463 -0.05038 -0.10148 -0.02362 -0.07605 117 2PY -0.03343 -0.01040 -0.08468 -0.01690 -0.03860 118 2PZ 0.03074 -0.05725 0.09582 -0.04284 0.07744 119 3S 0.04464 -0.00839 0.00852 -0.00453 0.01302 120 3PX -0.02009 -0.03624 -0.07595 -0.02004 -0.05447 121 3PY -0.02927 -0.00501 -0.04885 -0.01185 -0.02439 122 3PZ 0.02523 -0.04585 0.06623 -0.03084 0.05459 123 4XX -0.00185 -0.00052 -0.00226 -0.00065 -0.00142 124 4YY -0.00090 0.00104 0.00434 0.00105 0.00142 125 4ZZ -0.00132 0.00097 -0.00094 -0.00015 -0.00036 126 4XY -0.00013 0.00198 0.00317 0.00079 0.00254 127 4XZ 0.00090 -0.00053 0.00053 -0.00040 0.00035 128 4YZ -0.00032 0.00215 -0.00432 0.00178 -0.00320 129 13 C 1S -0.00055 -0.00024 -0.00447 -0.00235 -0.00081 130 2S 0.00017 0.00213 0.00919 0.00619 0.00505 131 2PX 0.00031 0.00642 -0.01942 -0.00102 -0.00496 132 2PY -0.00156 0.00319 0.01023 0.00539 0.00090 133 2PZ 0.00051 0.00730 0.00946 0.00873 0.00687 134 3S 0.00857 -0.00471 -0.00443 -0.00568 0.00604 135 3PX -0.00179 0.00082 -0.00564 0.00246 -0.00383 136 3PY -0.00082 -0.00838 0.01143 -0.00230 0.00252 137 3PZ 0.00383 0.01734 -0.01310 0.00385 0.00153 138 4XX 0.00000 -0.00057 -0.00132 -0.00083 -0.00031 139 4YY -0.00003 0.00036 0.00003 0.00039 0.00001 140 4ZZ -0.00040 -0.00011 0.00102 0.00054 -0.00036 141 4XY -0.00011 0.00047 -0.00021 0.00020 -0.00009 142 4XZ 0.00014 -0.00020 0.00001 -0.00025 -0.00028 143 4YZ -0.00002 0.00023 0.00040 0.00019 0.00028 144 14 C 1S 0.00000 -0.00028 -0.00077 -0.00039 -0.00196 145 2S 0.00118 0.00166 -0.00601 -0.00175 0.00013 146 2PX 0.00132 -0.01028 0.00516 -0.00501 0.00208 147 2PY 0.00045 0.00058 0.00424 0.00098 -0.00049 148 2PZ 0.00056 -0.01195 -0.00737 -0.00791 -0.00343 149 3S -0.00104 0.00647 -0.00406 -0.00039 -0.00021 150 3PX 0.00269 -0.01198 0.00040 -0.00667 0.00070 151 3PY -0.00201 -0.00018 0.01023 0.00394 0.00011 152 3PZ 0.00050 -0.00857 -0.00330 -0.00608 -0.00140 153 4XX 0.00005 -0.00016 0.00038 0.00002 -0.00001 154 4YY 0.00019 0.00019 -0.00028 -0.00019 0.00023 155 4ZZ 0.00015 0.00059 -0.00003 0.00035 0.00022 156 4XY -0.00003 -0.00075 0.00007 -0.00035 -0.00024 157 4XZ -0.00014 -0.00077 0.00045 -0.00014 -0.00033 158 4YZ -0.00018 -0.00051 0.00098 0.00000 0.00016 159 15 C 1S 0.00019 0.00022 0.00235 0.00101 0.00113 160 2S 0.00009 0.00102 -0.00036 -0.00104 0.00120 161 2PX -0.00179 -0.01389 0.00960 -0.00379 -0.00431 162 2PY -0.00125 -0.00098 0.00022 0.00009 0.00097 163 2PZ -0.00290 -0.01363 0.01315 -0.00444 0.00213 164 3S -0.00003 -0.00422 -0.00490 -0.00389 0.00176 165 3PX -0.00116 -0.01240 0.01094 -0.00329 -0.00235 166 3PY -0.00162 -0.00184 0.00656 0.00066 0.00114 167 3PZ -0.00224 -0.01548 0.00979 -0.00472 0.00027 168 4XX 0.00013 -0.00034 0.00002 -0.00005 0.00001 169 4YY 0.00013 0.00028 -0.00024 0.00001 -0.00003 170 4ZZ -0.00003 0.00063 0.00004 0.00028 -0.00012 171 4XY -0.00012 0.00050 -0.00010 0.00032 -0.00027 172 4XZ 0.00003 -0.00046 0.00042 -0.00010 -0.00001 173 4YZ -0.00006 0.00046 0.00047 0.00031 0.00026 174 16 C 1S -0.00058 -0.00074 0.00350 0.00079 0.00049 175 2S 0.00109 0.00434 -0.01065 -0.00045 -0.00219 176 2PX -0.00280 0.01031 0.00889 0.00491 0.00536 177 2PY 0.00071 0.00217 0.00380 0.00175 0.00275 178 2PZ -0.00201 0.01056 -0.00513 0.00320 -0.00697 179 3S 0.00360 -0.00386 -0.00372 -0.00197 -0.00023 180 3PX -0.00195 0.01071 0.00579 0.00439 0.00203 181 3PY -0.00015 0.00872 0.00731 0.00707 0.00435 182 3PZ -0.00226 0.01193 0.00774 0.00703 0.00018 183 4XX -0.00033 -0.00131 0.00138 -0.00037 0.00023 184 4YY 0.00004 0.00096 0.00021 0.00070 0.00006 185 4ZZ 0.00011 0.00032 -0.00043 0.00002 -0.00004 186 4XY 0.00005 -0.00063 0.00015 -0.00024 -0.00007 187 4XZ -0.00003 -0.00088 0.00110 -0.00006 -0.00002 188 4YZ 0.00005 0.00005 0.00039 0.00011 0.00018 189 17 H 1S 0.00030 -0.00017 0.00123 0.00107 0.00224 190 2S -0.00586 -0.01158 0.01887 0.00201 0.00173 191 18 H 1S 0.00026 0.00200 0.00228 0.00089 0.00293 192 2S -0.00134 0.00234 0.00784 0.00374 0.00288 193 19 H 1S -0.00022 0.00026 -0.00274 -0.00009 -0.00233 194 2S -0.00002 0.00155 -0.00574 0.00016 -0.00304 195 20 H 1S 0.00041 0.00489 -0.00299 0.00189 -0.00084 196 2S -0.00135 -0.00367 -0.00961 -0.00439 -0.00536 197 21 C 1S 0.00065 0.00342 -0.00191 0.00065 -0.00014 198 2S -0.00054 -0.00571 0.00073 -0.00189 0.00079 199 2PX 0.00191 0.02199 0.00079 0.01174 -0.00151 200 2PY 0.00080 0.00073 -0.02610 -0.00880 -0.01165 201 2PZ 0.00056 -0.00850 -0.00655 -0.00917 -0.00024 202 3S -0.00509 -0.02858 0.00420 -0.00973 -0.00043 203 3PX 0.00133 0.02347 0.00147 0.01386 -0.00062 204 3PY 0.00320 0.00421 -0.02265 -0.00735 -0.00594 205 3PZ 0.00084 -0.02495 -0.00448 -0.01471 0.00041 206 4XX -0.00002 -0.00070 -0.00036 -0.00043 0.00008 207 4YY 0.00005 0.00089 0.00017 0.00075 0.00003 208 4ZZ 0.00027 -0.00055 -0.00021 -0.00036 0.00003 209 4XY -0.00010 0.00008 -0.00018 -0.00011 -0.00014 210 4XZ 0.00034 0.00014 0.00010 0.00006 -0.00007 211 4YZ -0.00011 0.00005 0.00128 0.00044 0.00043 212 22 H 1S -0.00109 -0.00547 0.00064 -0.00247 0.00079 213 2S -0.00325 0.04011 0.00090 0.02049 -0.00057 214 23 H 1S 0.00129 0.00006 -0.00224 -0.00174 -0.00051 215 2S 0.00201 0.00243 -0.00044 -0.00079 -0.00088 26 27 28 29 30 26 3PZ 0.11851 27 4XX 0.00164 0.00077 28 4YY 0.00107 -0.00023 0.00077 29 4ZZ -0.00146 0.00041 -0.00008 0.00068 30 4XY 0.00702 0.00005 -0.00002 -0.00007 0.00134 31 4XZ 0.00016 -0.00021 0.00032 0.00002 -0.00018 32 4YZ 0.00284 -0.00004 0.00002 0.00006 -0.00052 33 4 H 1S 0.04929 0.00343 -0.00271 -0.00090 0.01118 34 2S 0.04019 0.00395 -0.00247 0.00118 0.00994 35 5 C 1S -0.00182 -0.00233 0.00018 -0.00119 0.00425 36 2S -0.00813 0.00390 -0.00194 0.00138 -0.00820 37 2PX 0.06915 0.00529 0.00090 -0.00089 0.00617 38 2PY -0.05467 0.00378 -0.00945 0.00046 -0.00135 39 2PZ -0.00548 0.00294 -0.00071 -0.00620 -0.00744 40 3S -0.01307 0.00314 -0.00254 0.00151 -0.00848 41 3PX 0.01217 0.00151 0.00033 -0.00160 0.00044 42 3PY -0.00735 -0.00064 0.00059 -0.00032 -0.00317 43 3PZ 0.00958 0.00208 0.00048 -0.00256 -0.00283 44 4XX -0.00460 0.00014 -0.00032 -0.00003 0.00027 45 4YY 0.00118 -0.00037 0.00057 -0.00014 -0.00007 46 4ZZ 0.00368 0.00006 -0.00031 -0.00002 0.00058 47 4XY 0.00744 0.00012 0.00030 0.00034 0.00058 48 4XZ -0.00073 -0.00018 0.00023 0.00007 -0.00005 49 4YZ 0.00064 -0.00021 -0.00019 -0.00005 0.00015 50 6 C 1S -0.00317 -0.00107 0.00030 -0.00042 -0.00061 51 2S 0.01097 0.00200 -0.00038 0.00072 0.00121 52 2PX -0.03511 -0.00238 0.00286 -0.00402 -0.00264 53 2PY 0.00050 -0.00215 0.00048 -0.00043 -0.00036 54 2PZ 0.00556 0.00510 -0.00135 -0.00092 0.00049 55 3S 0.01647 0.00300 0.00011 0.00111 0.00500 56 3PX -0.02133 -0.00084 0.00158 -0.00240 -0.00289 57 3PY -0.00627 -0.00079 -0.00040 0.00015 -0.00040 58 3PZ -0.00106 0.00257 -0.00086 -0.00069 0.00130 59 4XX -0.00182 -0.00001 -0.00016 0.00016 -0.00015 60 4YY 0.00104 -0.00010 0.00016 -0.00002 0.00004 61 4ZZ 0.00008 0.00001 0.00005 -0.00016 -0.00016 62 4XY 0.00052 0.00018 -0.00002 0.00010 0.00010 63 4XZ 0.00025 -0.00017 0.00012 0.00001 0.00014 64 4YZ -0.00181 -0.00018 0.00004 -0.00003 -0.00004 65 7 H 1S -0.01130 -0.00153 0.00084 -0.00049 -0.00105 66 2S -0.01564 -0.00142 -0.00035 -0.00060 -0.00164 67 8 C 1S -0.00313 -0.00011 0.00010 -0.00011 0.00050 68 2S 0.00379 -0.00006 -0.00001 -0.00011 -0.00116 69 2PX -0.02446 0.00065 0.00081 -0.00124 0.00098 70 2PY -0.01004 0.00096 -0.00079 -0.00014 -0.00208 71 2PZ -0.01980 0.00097 -0.00006 -0.00087 -0.00181 72 3S 0.00444 0.00024 -0.00033 -0.00068 -0.00505 73 3PX -0.01660 0.00032 0.00053 -0.00070 0.00147 74 3PY -0.00814 0.00058 -0.00034 -0.00004 -0.00126 75 3PZ -0.00988 0.00081 0.00001 -0.00058 -0.00146 76 4XX -0.00038 -0.00002 0.00001 0.00007 0.00005 77 4YY -0.00001 0.00002 -0.00003 0.00001 -0.00004 78 4ZZ 0.00052 0.00004 0.00003 -0.00002 0.00014 79 4XY 0.00092 0.00004 -0.00005 0.00012 0.00018 80 4XZ -0.00032 -0.00005 -0.00001 0.00003 -0.00012 81 4YZ -0.00068 -0.00015 0.00001 0.00006 -0.00007 82 9 H 1S 0.00373 0.00043 -0.00004 0.00002 0.00076 83 2S 0.01024 0.00090 0.00003 0.00018 0.00236 84 10 C 1S 0.00253 -0.00031 -0.00041 -0.00024 -0.00179 85 2S 0.00123 0.00102 0.00092 0.00078 0.00367 86 2PX -0.00296 -0.00042 -0.00184 -0.00065 -0.00465 87 2PY -0.00269 -0.00015 -0.00210 0.00005 -0.00434 88 2PZ -0.00016 0.00105 0.00158 0.00000 0.00604 89 3S 0.00367 0.00102 0.00034 0.00121 0.00524 90 3PX -0.01086 -0.00054 -0.00006 -0.00041 -0.00055 91 3PY 0.00195 0.00101 -0.00053 0.00054 -0.00219 92 3PZ -0.00165 0.00054 0.00015 0.00001 0.00154 93 4XX -0.00422 0.00004 0.00008 0.00001 -0.00038 94 4YY 0.00009 -0.00028 0.00007 -0.00017 -0.00005 95 4ZZ 0.00483 0.00009 0.00001 0.00002 0.00016 96 4XY -0.00546 -0.00015 0.00024 0.00000 0.00034 97 4XZ -0.00075 -0.00003 -0.00013 -0.00002 -0.00006 98 4YZ -0.00448 -0.00004 -0.00019 0.00014 -0.00051 99 11 O 1S 0.00352 -0.00017 -0.00116 -0.00023 0.00032 100 2S -0.00198 0.00020 0.00225 0.00064 -0.00043 101 2PX -0.02783 0.00346 -0.00335 -0.00240 -0.00346 102 2PY 0.05114 -0.00335 0.00816 0.00087 -0.00351 103 2PZ 0.00286 0.00216 0.00486 -0.00470 -0.00642 104 3S -0.01697 -0.00027 0.00149 -0.00050 0.00011 105 3PX -0.02692 0.00206 -0.00264 -0.00152 -0.00287 106 3PY 0.02879 -0.00220 0.00461 0.00018 -0.00172 107 3PZ -0.00110 0.00112 0.00336 -0.00276 -0.00397 108 4XX -0.00044 0.00008 -0.00015 0.00000 0.00013 109 4YY 0.00269 -0.00011 0.00038 0.00017 -0.00033 110 4ZZ 0.00037 0.00005 -0.00009 -0.00002 0.00009 111 4XY 0.00104 0.00027 -0.00005 -0.00014 -0.00002 112 4XZ -0.00016 0.00001 0.00005 -0.00005 -0.00008 113 4YZ 0.00011 0.00018 0.00021 -0.00036 -0.00050 114 12 O 1S -0.00249 0.00019 0.00023 0.00014 -0.00004 115 2S 0.00537 -0.00025 -0.00033 -0.00014 -0.00010 116 2PX -0.05373 0.00033 -0.00031 0.00138 0.00192 117 2PY -0.00735 0.00016 0.00095 -0.00003 0.00149 118 2PZ -0.04531 -0.00146 0.00010 -0.00022 -0.00269 119 3S 0.00174 -0.00152 0.00031 -0.00118 0.00085 120 3PX -0.03835 0.00027 -0.00010 0.00108 0.00171 121 3PY -0.00449 0.00042 0.00038 0.00029 0.00072 122 3PZ -0.03396 -0.00127 0.00001 -0.00015 -0.00243 123 4XX -0.00059 0.00005 -0.00001 0.00005 -0.00008 124 4YY 0.00060 0.00008 -0.00007 0.00007 -0.00005 125 4ZZ 0.00051 0.00003 0.00000 0.00003 -0.00001 126 4XY 0.00232 0.00001 0.00006 -0.00003 0.00005 127 4XZ -0.00045 -0.00003 0.00001 -0.00002 0.00002 128 4YZ 0.00212 0.00002 -0.00003 -0.00001 -0.00004 129 13 C 1S 0.00076 0.00030 0.00003 0.00013 -0.00006 130 2S 0.00007 -0.00043 -0.00001 0.00002 0.00019 131 2PX 0.00685 0.00017 -0.00026 0.00094 0.00049 132 2PY 0.00242 0.00032 -0.00002 -0.00044 -0.00025 133 2PZ 0.00323 -0.00061 0.00000 0.00072 0.00062 134 3S -0.00252 -0.00130 0.00049 0.00076 0.00035 135 3PX 0.00271 -0.00026 -0.00024 0.00086 0.00049 136 3PY -0.00462 -0.00012 -0.00010 0.00005 -0.00044 137 3PZ 0.01043 -0.00009 0.00022 0.00045 0.00083 138 4XX -0.00051 0.00015 -0.00002 -0.00007 -0.00004 139 4YY 0.00028 -0.00009 0.00000 0.00006 0.00004 140 4ZZ 0.00007 -0.00002 0.00001 -0.00004 -0.00003 141 4XY 0.00034 0.00001 0.00000 0.00001 0.00001 142 4XZ -0.00036 0.00006 0.00005 -0.00007 -0.00001 143 4YZ 0.00009 0.00001 0.00000 -0.00001 0.00000 144 14 C 1S 0.00037 -0.00005 0.00008 0.00001 0.00001 145 2S 0.00155 0.00016 -0.00018 0.00016 0.00003 146 2PX -0.01054 0.00047 0.00025 -0.00037 -0.00005 147 2PY -0.00087 -0.00028 0.00007 0.00001 -0.00006 148 2PZ -0.01019 0.00085 -0.00002 -0.00015 -0.00010 149 3S 0.00247 0.00068 0.00001 -0.00065 -0.00022 150 3PX -0.00963 0.00027 0.00010 -0.00001 -0.00001 151 3PY -0.00042 -0.00026 0.00005 -0.00014 -0.00012 152 3PZ -0.00833 0.00083 0.00006 -0.00044 -0.00020 153 4XX -0.00010 0.00000 0.00001 -0.00004 -0.00001 154 4YY 0.00007 -0.00001 -0.00001 0.00002 0.00001 155 4ZZ 0.00040 0.00000 0.00000 0.00002 0.00003 156 4XY -0.00056 0.00002 0.00001 -0.00003 -0.00003 157 4XZ -0.00048 -0.00001 0.00001 -0.00002 -0.00003 158 4YZ -0.00045 0.00003 0.00001 -0.00006 -0.00004 159 15 C 1S 0.00030 0.00003 0.00009 -0.00002 0.00001 160 2S -0.00025 -0.00007 -0.00008 0.00004 -0.00002 161 2PX -0.01109 0.00049 0.00028 -0.00080 -0.00065 162 2PY 0.00002 0.00018 -0.00001 -0.00013 -0.00003 163 2PZ -0.01198 0.00068 0.00006 -0.00097 -0.00071 164 3S -0.00420 0.00024 -0.00038 0.00034 0.00003 165 3PX -0.00961 0.00020 0.00032 -0.00079 -0.00069 166 3PY -0.00144 0.00001 0.00003 -0.00026 -0.00026 167 3PZ -0.01238 0.00047 -0.00002 -0.00057 -0.00057 168 4XX -0.00015 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00019 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00044 0.00000 0.00001 -0.00002 0.00001 171 4XY 0.00048 -0.00002 0.00000 0.00002 0.00000 172 4XZ -0.00034 0.00001 0.00001 -0.00002 0.00000 173 4YZ 0.00040 -0.00003 0.00000 -0.00001 -0.00001 174 16 C 1S -0.00196 0.00014 0.00001 -0.00011 0.00005 175 2S 0.00539 -0.00020 -0.00010 0.00030 0.00012 176 2PX 0.00536 0.00015 0.00003 -0.00059 -0.00002 177 2PY 0.00222 0.00008 0.00005 -0.00033 -0.00017 178 2PZ 0.00827 -0.00016 0.00018 -0.00027 -0.00001 179 3S 0.00212 -0.00084 0.00011 0.00037 -0.00067 180 3PX 0.00706 0.00015 0.00016 -0.00060 0.00013 181 3PY 0.00608 0.00048 -0.00025 -0.00024 0.00014 182 3PZ 0.00885 -0.00004 -0.00006 -0.00030 -0.00010 183 4XX -0.00126 0.00007 -0.00001 -0.00007 -0.00004 184 4YY 0.00078 -0.00003 0.00000 0.00001 0.00002 185 4ZZ 0.00026 0.00001 0.00000 0.00002 0.00004 186 4XY -0.00038 -0.00001 -0.00001 0.00000 -0.00001 187 4XZ -0.00067 0.00004 0.00003 -0.00005 -0.00004 188 4YZ 0.00005 0.00000 0.00000 -0.00001 0.00000 189 17 H 1S -0.00083 -0.00057 0.00002 0.00038 0.00026 190 2S -0.00774 -0.00029 -0.00041 0.00020 -0.00044 191 18 H 1S 0.00119 0.00004 0.00000 -0.00006 0.00007 192 2S 0.00127 -0.00001 0.00005 -0.00019 -0.00002 193 19 H 1S 0.00060 -0.00001 0.00003 0.00008 0.00002 194 2S 0.00173 0.00006 -0.00001 0.00020 0.00019 195 20 H 1S 0.00493 -0.00015 0.00003 -0.00001 0.00000 196 2S -0.00323 -0.00031 0.00018 0.00007 0.00024 197 21 C 1S 0.00231 0.00024 0.00027 0.00012 0.00007 198 2S -0.00360 -0.00043 -0.00037 0.00021 -0.00012 199 2PX 0.01659 -0.00012 0.00102 -0.00019 0.00039 200 2PY 0.00292 0.00018 -0.00001 0.00026 0.00009 201 2PZ -0.00540 0.00039 -0.00003 -0.00027 -0.00035 202 3S -0.01956 -0.00025 -0.00058 0.00029 -0.00066 203 3PX 0.01588 0.00028 0.00037 -0.00035 0.00056 204 3PY 0.00321 0.00017 0.00021 0.00020 0.00042 205 3PZ -0.01547 -0.00042 0.00000 0.00033 -0.00083 206 4XX -0.00051 0.00003 -0.00004 -0.00001 -0.00002 207 4YY 0.00066 -0.00005 0.00002 0.00003 0.00003 208 4ZZ -0.00030 0.00001 0.00002 -0.00002 -0.00003 209 4XY 0.00011 0.00002 0.00000 -0.00004 -0.00003 210 4XZ 0.00020 0.00003 0.00006 -0.00006 -0.00001 211 4YZ -0.00011 0.00000 0.00000 -0.00004 -0.00002 212 22 H 1S -0.00440 0.00013 -0.00075 -0.00005 0.00005 213 2S 0.02527 0.00076 -0.00066 -0.00041 0.00139 214 23 H 1S 0.00094 0.00013 0.00029 -0.00029 -0.00014 215 2S 0.00184 0.00048 0.00042 -0.00061 -0.00004 31 32 33 34 35 31 4XZ 0.00063 32 4YZ 0.00015 0.00105 33 4 H 1S -0.00781 -0.00850 0.21460 34 2S -0.00490 -0.00750 0.15568 0.13803 35 5 C 1S 0.00326 -0.00335 0.01124 0.02036 2.05381 36 2S -0.00649 0.00643 -0.02469 -0.03633 -0.07109 37 2PX 0.00256 -0.00737 0.03847 0.07441 -0.00061 38 2PY -0.00683 0.00084 -0.01482 0.00998 -0.00350 39 2PZ -0.00006 0.00206 -0.02902 -0.05440 0.00102 40 3S -0.00436 0.00592 -0.04010 -0.04371 -0.14982 41 3PX 0.00077 -0.00210 0.00238 0.00219 -0.00725 42 3PY -0.00068 0.00219 -0.03175 -0.03071 -0.06048 43 3PZ 0.00074 -0.00040 -0.00723 -0.00844 -0.00431 44 4XX -0.00022 -0.00058 0.00562 0.00557 -0.01269 45 4YY 0.00046 0.00001 -0.00409 -0.00358 -0.01530 46 4ZZ -0.00004 0.00000 0.00333 0.00300 -0.01103 47 4XY 0.00015 0.00025 0.00171 0.00728 -0.00044 48 4XZ 0.00041 0.00002 -0.00408 -0.00228 0.00244 49 4YZ -0.00013 0.00063 -0.00140 -0.00557 -0.00044 50 6 C 1S 0.00054 0.00064 -0.00676 -0.01486 0.01410 51 2S -0.00098 -0.00115 0.01375 0.02719 -0.02937 52 2PX 0.00430 0.00031 -0.02259 -0.05707 0.05421 53 2PY 0.00101 0.00090 -0.00859 -0.02511 0.03584 54 2PZ -0.00141 -0.00230 0.01593 0.03574 -0.03570 55 3S -0.00070 -0.00376 0.04551 0.08774 0.02047 56 3PX 0.00204 0.00100 -0.02318 -0.04329 0.00033 57 3PY -0.00003 0.00114 -0.01279 -0.00934 0.01644 58 3PZ -0.00039 -0.00144 0.01315 0.02387 0.00412 59 4XX -0.00021 0.00015 -0.00100 -0.00053 -0.00327 60 4YY 0.00014 -0.00006 0.00075 -0.00060 0.00058 61 4ZZ 0.00010 0.00011 -0.00123 -0.00192 0.00008 62 4XY -0.00012 -0.00004 0.00115 0.00186 -0.00438 63 4XZ 0.00015 -0.00009 0.00098 0.00042 0.00306 64 4YZ 0.00010 0.00012 -0.00096 -0.00187 0.00280 65 7 H 1S 0.00104 0.00096 -0.01126 -0.02021 0.01078 66 2S 0.00060 0.00200 -0.01955 -0.03230 0.01881 67 8 C 1S -0.00023 -0.00034 0.00094 0.00686 -0.00341 68 2S 0.00038 0.00083 -0.00128 -0.01143 0.00781 69 2PX 0.00080 -0.00133 -0.00183 0.00042 -0.00169 70 2PY -0.00036 0.00110 -0.00861 -0.00560 -0.01402 71 2PZ 0.00022 0.00089 -0.00421 -0.01314 0.00455 72 3S 0.00070 0.00271 -0.00950 -0.04183 -0.00945 73 3PX 0.00038 -0.00133 0.00310 0.00360 0.00354 74 3PY -0.00025 0.00079 -0.00480 0.00421 -0.00138 75 3PZ 0.00022 0.00089 -0.00616 -0.01103 -0.00339 76 4XX -0.00006 -0.00015 0.00053 0.00103 -0.00021 77 4YY 0.00000 0.00003 -0.00008 -0.00008 -0.00053 78 4ZZ 0.00001 0.00003 0.00031 0.00073 -0.00047 79 4XY -0.00013 -0.00008 0.00079 0.00237 -0.00161 80 4XZ 0.00000 0.00003 -0.00024 -0.00041 -0.00006 81 4YZ 0.00001 0.00012 -0.00051 -0.00136 0.00117 82 9 H 1S -0.00007 -0.00055 0.00187 0.00771 -0.00725 83 2S -0.00037 -0.00122 0.00819 0.02121 -0.01020 84 10 C 1S 0.00004 0.00137 -0.00877 -0.01160 -0.00381 85 2S -0.00022 -0.00282 0.01999 0.02373 0.00605 86 2PX 0.00052 0.00598 -0.02590 -0.04198 -0.00037 87 2PY 0.00063 0.00382 -0.02210 -0.03318 -0.00846 88 2PZ -0.00038 -0.00123 0.02038 0.03423 0.00061 89 3S -0.00079 -0.00403 0.04606 0.04563 0.01987 90 3PX 0.00048 0.00136 -0.01497 -0.01735 0.00058 91 3PY -0.00002 0.00178 -0.00466 -0.00638 -0.01661 92 3PZ -0.00032 0.00012 0.01105 0.01354 0.00134 93 4XX -0.00003 -0.00014 0.00002 -0.00011 -0.00036 94 4YY 0.00012 0.00007 -0.00227 -0.00287 -0.00033 95 4ZZ -0.00002 0.00031 0.00050 0.00097 -0.00057 96 4XY 0.00000 -0.00059 0.00084 0.00294 0.00000 97 4XZ 0.00002 -0.00004 -0.00031 -0.00078 -0.00011 98 4YZ -0.00009 -0.00001 -0.00019 -0.00120 -0.00019 99 11 O 1S -0.00005 -0.00036 0.00337 -0.00418 0.01187 100 2S 0.00055 0.00069 -0.00650 0.00679 -0.02038 101 2PX 0.00003 -0.00619 0.01146 -0.04156 -0.00967 102 2PY 0.00276 0.00512 -0.01588 -0.05049 -0.10128 103 2PZ 0.00256 -0.00479 -0.01504 0.01745 -0.00765 104 3S 0.00060 -0.00032 -0.02321 0.00404 -0.01281 105 3PX -0.00031 -0.00400 0.00651 -0.03275 -0.00492 106 3PY 0.00174 0.00281 -0.01368 -0.03116 -0.05718 107 3PZ 0.00173 -0.00364 -0.00974 0.01584 -0.00424 108 4XX 0.00000 -0.00020 0.00169 0.00147 0.00412 109 4YY 0.00000 0.00046 -0.00065 -0.00314 -0.00903 110 4ZZ 0.00002 -0.00008 0.00085 0.00111 0.00413 111 4XY 0.00008 -0.00043 0.00149 0.00001 -0.00130 112 4XZ 0.00005 -0.00003 -0.00078 -0.00059 -0.00009 113 4YZ 0.00012 -0.00014 -0.00147 -0.00098 -0.00107 114 12 O 1S -0.00010 -0.00004 0.00163 0.00255 -0.00036 115 2S 0.00030 0.00032 -0.00307 -0.00556 -0.00070 116 2PX -0.00032 -0.00296 0.01278 0.02786 -0.00027 117 2PY -0.00070 -0.00169 0.01251 0.02161 0.00207 118 2PZ -0.00031 0.00014 -0.00860 -0.01565 -0.00096 119 3S 0.00046 -0.00040 -0.01181 -0.00992 0.01007 120 3PX -0.00037 -0.00275 0.01307 0.02501 0.00026 121 3PY -0.00049 -0.00100 0.01111 0.01538 -0.00089 122 3PZ -0.00017 0.00002 -0.00911 -0.01457 -0.00059 123 4XX -0.00002 0.00001 0.00044 0.00038 -0.00071 124 4YY 0.00002 0.00004 0.00016 -0.00034 -0.00048 125 4ZZ -0.00001 0.00005 0.00046 0.00036 -0.00064 126 4XY 0.00000 -0.00004 0.00019 0.00004 0.00000 127 4XZ 0.00001 -0.00002 -0.00007 -0.00011 0.00013 128 4YZ 0.00003 0.00002 -0.00015 -0.00025 0.00006 129 13 C 1S 0.00001 -0.00016 0.00024 -0.00025 -0.00136 130 2S -0.00006 0.00035 -0.00040 0.00095 0.00342 131 2PX -0.00062 -0.00001 0.00237 0.00527 -0.00461 132 2PY -0.00003 -0.00020 0.00035 -0.00077 -0.00026 133 2PZ -0.00056 0.00030 0.00135 0.00440 -0.00036 134 3S -0.00023 0.00044 0.00006 0.00211 -0.00371 135 3PX -0.00057 0.00051 0.00064 0.00180 -0.00522 136 3PY -0.00023 -0.00055 0.00098 -0.00112 -0.00388 137 3PZ -0.00025 0.00027 0.00285 0.00736 -0.00102 138 4XX 0.00003 -0.00008 0.00013 0.00030 -0.00088 139 4YY -0.00004 0.00006 -0.00004 0.00003 0.00007 140 4ZZ 0.00002 0.00004 -0.00028 -0.00060 0.00015 141 4XY -0.00003 0.00002 0.00003 0.00005 -0.00026 142 4XZ 0.00003 -0.00004 0.00004 -0.00008 0.00012 143 4YZ -0.00001 -0.00002 0.00009 0.00011 -0.00007 144 14 C 1S 0.00006 0.00005 -0.00042 -0.00134 0.00036 145 2S -0.00011 -0.00006 0.00085 0.00231 -0.00277 146 2PX 0.00031 -0.00056 0.00067 0.00091 0.00023 147 2PY 0.00005 0.00019 -0.00069 -0.00085 0.00030 148 2PZ 0.00029 -0.00072 0.00119 0.00263 -0.00175 149 3S 0.00053 -0.00052 0.00143 0.00218 0.00719 150 3PX 0.00003 -0.00047 0.00074 0.00146 -0.00426 151 3PY 0.00010 0.00026 -0.00125 -0.00314 0.00289 152 3PZ 0.00039 -0.00087 0.00130 0.00231 0.00133 153 4XX 0.00003 0.00000 -0.00010 -0.00025 0.00022 154 4YY -0.00001 0.00001 0.00005 0.00014 -0.00025 155 4ZZ -0.00003 0.00001 0.00006 0.00017 -0.00030 156 4XY 0.00004 -0.00001 -0.00017 -0.00035 0.00015 157 4XZ 0.00003 0.00001 -0.00021 -0.00043 -0.00002 158 4YZ 0.00004 0.00000 -0.00019 -0.00043 0.00011 159 15 C 1S -0.00004 -0.00004 0.00007 0.00002 0.00004 160 2S 0.00012 0.00005 0.00008 0.00041 0.00026 161 2PX 0.00058 -0.00012 -0.00307 -0.00818 0.00269 162 2PY 0.00011 -0.00010 -0.00006 -0.00090 0.00121 163 2PZ 0.00103 -0.00028 -0.00332 -0.00690 0.00343 164 3S -0.00005 0.00027 -0.00093 0.00148 -0.00402 165 3PX 0.00065 -0.00023 -0.00268 -0.00745 0.00412 166 3PY 0.00024 0.00001 -0.00070 -0.00262 0.00245 167 3PZ 0.00062 -0.00009 -0.00307 -0.00580 0.00121 168 4XX -0.00002 -0.00001 0.00003 0.00008 -0.00008 169 4YY 0.00000 0.00000 0.00004 0.00005 -0.00002 170 4ZZ 0.00000 0.00002 -0.00004 -0.00023 0.00005 171 4XY -0.00002 0.00003 -0.00005 -0.00015 0.00002 172 4XZ 0.00002 -0.00002 -0.00001 0.00000 0.00004 173 4YZ 0.00001 0.00003 -0.00011 -0.00021 0.00017 174 16 C 1S 0.00009 -0.00002 -0.00010 -0.00006 0.00056 175 2S -0.00022 0.00001 0.00050 0.00073 -0.00121 176 2PX 0.00062 0.00022 -0.00128 -0.00297 0.00340 177 2PY 0.00036 -0.00010 -0.00069 -0.00146 0.00124 178 2PZ 0.00013 0.00034 -0.00120 -0.00545 0.00207 179 3S -0.00030 -0.00006 -0.00134 -0.00305 -0.00022 180 3PX 0.00055 0.00011 -0.00040 -0.00268 0.00341 181 3PY 0.00014 0.00034 -0.00146 -0.00138 -0.00030 182 3PZ 0.00019 0.00082 -0.00242 -0.00654 0.00217 183 4XX 0.00007 -0.00001 -0.00021 -0.00043 0.00040 184 4YY -0.00002 0.00001 0.00005 0.00007 0.00013 185 4ZZ -0.00003 -0.00001 0.00015 0.00040 -0.00010 186 4XY 0.00001 -0.00001 -0.00003 -0.00009 0.00015 187 4XZ 0.00001 0.00002 -0.00023 -0.00049 0.00006 188 4YZ 0.00002 -0.00001 -0.00002 0.00000 0.00015 189 17 H 1S -0.00011 0.00036 -0.00041 0.00049 0.00128 190 2S -0.00032 -0.00047 -0.00048 -0.00307 0.00096 191 18 H 1S -0.00005 -0.00004 0.00056 0.00078 0.00000 192 2S 0.00003 0.00007 -0.00035 -0.00121 0.00176 193 19 H 1S -0.00014 0.00006 0.00015 -0.00053 -0.00013 194 2S -0.00029 0.00004 0.00077 0.00101 -0.00149 195 20 H 1S 0.00004 -0.00001 0.00005 -0.00057 0.00039 196 2S 0.00000 -0.00063 0.00270 0.00357 0.00145 197 21 C 1S -0.00007 0.00013 -0.00019 -0.00044 -0.00067 198 2S 0.00010 -0.00024 0.00030 0.00096 0.00120 199 2PX -0.00127 0.00088 0.00036 -0.00188 -0.00310 200 2PY -0.00015 -0.00014 0.00094 0.00002 -0.00243 201 2PZ 0.00038 -0.00040 -0.00011 -0.00018 -0.00085 202 3S -0.00007 -0.00126 0.00082 0.00145 0.00203 203 3PX -0.00049 0.00084 -0.00106 -0.00127 -0.00195 204 3PY -0.00004 -0.00031 0.00244 0.00409 -0.00279 205 3PZ -0.00020 -0.00109 0.00050 0.00094 -0.00282 206 4XX 0.00006 -0.00003 -0.00015 0.00002 -0.00009 207 4YY -0.00004 0.00004 -0.00008 -0.00005 -0.00002 208 4ZZ -0.00002 -0.00001 -0.00008 -0.00006 -0.00012 209 4XY 0.00002 0.00001 -0.00013 -0.00030 -0.00010 210 4XZ -0.00004 0.00002 -0.00010 -0.00027 -0.00034 211 4YZ 0.00003 0.00001 -0.00009 -0.00015 0.00032 212 22 H 1S 0.00091 -0.00021 -0.00051 0.00086 0.00141 213 2S 0.00102 0.00159 -0.00080 0.00062 0.00305 214 23 H 1S -0.00023 0.00002 -0.00003 -0.00088 -0.00137 215 2S 0.00003 0.00026 -0.00053 -0.00214 -0.00018 36 37 38 39 40 36 2S 0.35855 37 2PX 0.00241 0.37725 38 2PY 0.00756 0.01134 0.42606 39 2PZ -0.00365 -0.06931 0.00950 0.32857 40 3S 0.25478 0.00259 0.04864 0.00927 0.22567 41 3PX 0.00851 0.08621 -0.01369 0.04144 0.00904 42 3PY 0.08069 -0.01005 -0.00595 0.00089 0.05925 43 3PZ 0.00555 0.04163 -0.01082 0.12312 0.00693 44 4XX -0.01195 0.00171 0.01636 -0.00015 -0.00596 45 4YY -0.00363 -0.00015 -0.01793 0.00049 -0.00696 46 4ZZ -0.01542 -0.00107 0.01244 0.00106 -0.00805 47 4XY 0.00159 0.00643 -0.00246 -0.01401 -0.00135 48 4XZ -0.00539 -0.00059 -0.00722 -0.00248 -0.00384 49 4YZ 0.00127 -0.01374 -0.00040 -0.00341 0.00023 50 6 C 1S -0.02990 -0.05447 -0.03295 0.03101 0.01361 51 2S 0.05355 0.10875 0.05774 -0.06074 0.00612 52 2PX -0.11390 -0.12923 -0.12235 0.15352 -0.10632 53 2PY -0.08052 -0.12702 -0.06353 0.06393 -0.06223 54 2PZ 0.07604 0.15561 0.06849 -0.00963 0.06649 55 3S -0.00257 0.15402 0.11316 -0.09140 -0.04889 56 3PX -0.01740 -0.06002 -0.06878 0.08586 -0.02053 57 3PY -0.02632 -0.06616 0.01883 0.03001 -0.01591 58 3PZ 0.00531 0.06795 0.04958 -0.00432 0.00172 59 4XX 0.00582 -0.00285 0.00502 -0.00416 0.00585 60 4YY -0.00251 -0.00197 -0.00972 0.00100 -0.00259 61 4ZZ -0.00132 -0.00195 -0.00179 0.00721 -0.00098 62 4XY 0.00858 0.00709 0.00032 -0.00649 0.00652 63 4XZ -0.00632 -0.00403 -0.00652 -0.00090 -0.00387 64 4YZ -0.00540 -0.00729 -0.00063 0.00046 -0.00635 65 7 H 1S -0.02379 -0.03953 -0.01277 0.01908 -0.04166 66 2S -0.03589 -0.07197 0.00801 0.04012 -0.03913 67 8 C 1S 0.00908 0.00899 0.00946 -0.00730 -0.00324 68 2S -0.01886 -0.02203 -0.02431 0.01538 -0.01172 69 2PX 0.00917 0.01367 0.00258 0.01198 0.00910 70 2PY 0.03691 0.03561 0.03579 -0.00715 0.05738 71 2PZ -0.00798 -0.01233 -0.01033 0.01886 -0.03944 72 3S -0.00356 -0.02401 -0.06830 0.03572 0.01399 73 3PX 0.00183 0.01022 -0.00004 -0.00489 -0.00799 74 3PY 0.01355 0.01499 0.04309 -0.00466 0.01650 75 3PZ 0.00363 -0.00471 -0.00458 0.01409 -0.01070 76 4XX 0.00064 0.00012 0.00020 -0.00116 0.00075 77 4YY 0.00092 0.00177 0.00147 -0.00111 -0.00040 78 4ZZ 0.00129 0.00130 0.00002 -0.00051 0.00183 79 4XY 0.00339 0.00429 0.00438 -0.00538 0.00376 80 4XZ 0.00011 -0.00058 -0.00006 -0.00088 -0.00011 81 4YZ -0.00241 -0.00579 -0.00215 0.00015 -0.00335 82 9 H 1S 0.01682 0.02828 0.01601 -0.00893 0.03884 83 2S 0.02150 0.04407 0.02424 -0.01716 0.03596 84 10 C 1S 0.00605 -0.00037 0.00846 0.00061 0.01987 85 2S -0.01281 0.00078 -0.02141 0.00137 -0.02794 86 2PX 0.00078 -0.02966 0.00226 0.01388 0.00221 87 2PY 0.02141 -0.00226 0.02689 0.00061 0.03218 88 2PZ 0.00137 0.01388 -0.00062 -0.01902 -0.01690 89 3S -0.02794 0.00221 -0.03218 -0.01690 -0.04669 90 3PX -0.00056 -0.01348 -0.00049 0.00442 -0.00352 91 3PY 0.02202 -0.00289 -0.00780 0.01086 0.02836 92 3PZ -0.00055 0.00524 0.00303 -0.00778 -0.00755 93 4XX 0.00059 -0.00023 -0.00004 0.00076 0.00119 94 4YY -0.00019 -0.00052 -0.00149 -0.00074 -0.00084 95 4ZZ 0.00068 0.00073 -0.00006 0.00025 0.00168 96 4XY -0.00005 0.00175 0.00017 -0.00253 -0.00047 97 4XZ -0.00003 -0.00036 -0.00019 0.00002 -0.00076 98 4YZ 0.00012 -0.00235 0.00067 -0.00075 0.00128 99 11 O 1S -0.01328 0.00379 0.04814 0.00348 0.03130 100 2S 0.02305 -0.00908 -0.11032 -0.01008 -0.08068 101 2PX 0.01824 0.14979 -0.05616 0.10937 0.03213 102 2PY 0.21849 -0.05413 -0.38653 -0.05519 0.15310 103 2PZ 0.01501 0.11120 -0.05317 0.23611 0.01509 104 3S -0.03473 0.00166 -0.02670 0.00705 -0.13691 105 3PX 0.00836 0.07891 -0.03095 0.07880 0.01988 106 3PY 0.11196 -0.02857 -0.20309 -0.03002 0.08117 107 3PZ 0.00748 0.07937 -0.03090 0.13893 0.00817 108 4XX -0.00509 0.00274 0.00498 0.00026 -0.00150 109 4YY 0.01950 -0.00502 -0.02180 -0.00513 0.01505 110 4ZZ -0.00502 0.00068 0.00458 0.00212 -0.00187 111 4XY 0.00250 0.01604 -0.00452 0.00318 0.00246 112 4XZ 0.00028 0.00147 -0.00135 0.00197 -0.00019 113 4YZ 0.00185 0.00316 -0.00399 0.01893 0.00180 114 12 O 1S 0.00095 0.00021 -0.00037 0.00027 -0.00332 115 2S 0.00008 -0.00094 -0.00242 -0.00054 0.00611 116 2PX 0.00025 -0.00205 0.00215 -0.01484 -0.00478 117 2PY -0.00770 0.00056 -0.00832 -0.00202 -0.00346 118 2PZ 0.00090 -0.00949 0.00436 -0.01354 0.00344 119 3S -0.01475 0.00051 0.01310 -0.00348 -0.00861 120 3PX -0.00055 0.00216 0.00211 -0.01332 -0.00362 121 3PY -0.00135 0.00026 -0.00895 -0.00173 0.00174 122 3PZ 0.00012 -0.00879 0.00315 -0.00844 0.00396 123 4XX 0.00073 -0.00024 -0.00113 -0.00004 0.00074 124 4YY 0.00073 0.00005 -0.00028 0.00036 0.00038 125 4ZZ 0.00056 -0.00012 -0.00126 -0.00019 0.00062 126 4XY -0.00007 0.00076 -0.00039 0.00043 0.00010 127 4XZ -0.00025 -0.00009 -0.00014 -0.00026 -0.00040 128 4YZ -0.00018 0.00018 -0.00033 0.00119 0.00022 129 13 C 1S 0.00291 0.00504 0.00171 0.00135 0.00388 130 2S -0.00666 -0.01265 -0.00175 -0.00214 -0.00965 131 2PX 0.01563 0.00602 0.01170 -0.02295 0.00580 132 2PY 0.00254 0.00777 -0.00197 0.00875 -0.00777 133 2PZ 0.00200 -0.01040 0.00275 -0.01907 -0.00870 134 3S -0.00012 -0.02680 -0.01249 -0.03183 0.00325 135 3PX 0.00885 -0.01253 0.01094 -0.02535 0.00164 136 3PY 0.00114 0.00130 -0.00159 0.00026 0.00059 137 3PZ 0.00612 0.00399 -0.00073 -0.01375 -0.00178 138 4XX 0.00152 0.00360 0.00099 0.00137 0.00045 139 4YY -0.00044 -0.00203 0.00009 -0.00126 0.00066 140 4ZZ -0.00077 -0.00124 -0.00036 0.00121 -0.00046 141 4XY 0.00060 0.00059 0.00055 -0.00007 0.00067 142 4XZ -0.00001 0.00175 -0.00019 0.00173 -0.00073 143 4YZ 0.00033 0.00066 0.00006 0.00002 -0.00040 144 14 C 1S -0.00219 -0.00195 -0.00124 0.00113 0.00498 145 2S 0.00558 0.00563 0.00377 -0.00609 0.00632 146 2PX -0.00009 0.00830 -0.00125 0.00477 -0.01329 147 2PY -0.00341 -0.00271 -0.00122 0.00076 0.00835 148 2PZ 0.00790 0.01455 0.00408 -0.00121 -0.01097 149 3S -0.00454 0.01583 -0.00637 0.02229 -0.00849 150 3PX 0.00545 0.00626 0.00302 -0.00736 -0.00350 151 3PY -0.00595 -0.00914 -0.00436 0.00508 -0.00318 152 3PZ 0.00292 0.01849 0.00062 0.00973 -0.01049 153 4XX -0.00049 -0.00018 -0.00055 0.00092 -0.00048 154 4YY 0.00014 0.00016 0.00007 -0.00060 0.00062 155 4ZZ 0.00056 0.00039 0.00027 -0.00065 -0.00021 156 4XY -0.00032 -0.00004 -0.00028 0.00088 -0.00024 157 4XZ -0.00041 -0.00068 -0.00034 0.00060 0.00008 158 4YZ -0.00036 0.00001 -0.00046 0.00139 -0.00095 159 15 C 1S 0.00053 0.00015 -0.00020 0.00065 -0.00349 160 2S -0.00175 -0.00039 -0.00138 -0.00071 -0.00006 161 2PX -0.00613 -0.00113 -0.00794 0.02108 -0.00855 162 2PY -0.00087 -0.00084 -0.00209 0.00366 -0.01234 163 2PZ -0.00788 0.00176 -0.00975 0.02453 -0.02246 164 3S 0.00575 0.00490 0.01296 -0.01207 0.00875 165 3PX -0.00882 -0.00493 -0.01369 0.02211 -0.01254 166 3PY -0.00464 -0.00493 -0.00706 0.00885 -0.01050 167 3PZ -0.00342 -0.00107 -0.00290 0.01180 -0.01213 168 4XX 0.00039 0.00011 0.00036 -0.00072 0.00006 169 4YY 0.00002 0.00017 -0.00005 -0.00014 0.00026 170 4ZZ -0.00022 -0.00005 -0.00041 0.00072 -0.00028 171 4XY -0.00004 -0.00048 -0.00003 -0.00004 0.00078 172 4XZ -0.00008 0.00006 -0.00023 0.00026 -0.00006 173 4YZ -0.00061 -0.00076 -0.00046 0.00046 0.00003 174 16 C 1S -0.00120 0.00080 -0.00124 0.00310 -0.00158 175 2S 0.00285 0.00142 0.00433 -0.00735 0.00600 176 2PX -0.01021 -0.00147 -0.01044 0.02074 -0.01740 177 2PY -0.00432 0.00079 -0.00491 0.00873 -0.00717 178 2PZ -0.00746 -0.00417 -0.00707 0.01612 0.00617 179 3S -0.00031 -0.01433 -0.00282 -0.00300 0.00526 180 3PX -0.00941 -0.00069 -0.01262 0.01882 -0.00968 181 3PY 0.00189 0.01152 0.00821 0.00303 -0.00125 182 3PZ -0.00671 -0.00639 -0.00386 0.01383 0.00081 183 4XX -0.00055 0.00023 -0.00048 0.00140 -0.00164 184 4YY -0.00020 -0.00020 0.00012 -0.00015 0.00012 185 4ZZ 0.00055 0.00088 0.00081 -0.00069 0.00103 186 4XY -0.00031 -0.00052 -0.00018 -0.00016 -0.00012 187 4XZ 0.00012 0.00022 0.00004 0.00114 -0.00036 188 4YZ -0.00034 -0.00016 -0.00031 0.00025 -0.00045 189 17 H 1S -0.00487 -0.01381 -0.00090 -0.00776 0.00175 190 2S -0.00688 -0.00427 0.00509 0.00805 0.00170 191 18 H 1S 0.00008 0.00132 -0.00042 0.00062 -0.00346 192 2S -0.00264 -0.00177 -0.00296 0.00597 -0.00722 193 19 H 1S 0.00076 -0.00097 0.00055 -0.00111 0.00182 194 2S 0.00427 0.00227 0.00492 -0.00568 0.00505 195 20 H 1S -0.00211 -0.00090 -0.00202 0.00250 0.00049 196 2S -0.00499 -0.00407 -0.00690 0.00103 -0.00208 197 21 C 1S 0.00190 0.00290 0.00115 0.00352 -0.00143 198 2S -0.00328 -0.00736 -0.00249 -0.00935 0.00174 199 2PX 0.01031 0.00847 0.00757 0.01036 -0.00015 200 2PY 0.00517 0.00850 0.00590 -0.00233 0.02146 201 2PZ 0.00175 0.00937 0.00000 0.00452 0.00061 202 3S -0.00260 -0.00399 0.00725 -0.00962 0.00064 203 3PX 0.00688 0.01476 0.00765 0.01109 0.00048 204 3PY 0.00539 0.01124 -0.00088 -0.00688 0.01230 205 3PZ 0.00234 -0.00311 0.00145 -0.00593 0.00647 206 4XX 0.00012 0.00047 0.00004 0.00001 -0.00001 207 4YY -0.00011 -0.00074 0.00017 -0.00029 0.00020 208 4ZZ 0.00040 0.00064 0.00030 0.00018 0.00013 209 4XY -0.00018 0.00032 -0.00014 0.00138 0.00055 210 4XZ 0.00056 0.00092 0.00039 0.00129 0.00010 211 4YZ -0.00067 -0.00041 -0.00043 0.00113 -0.00104 212 22 H 1S -0.00555 -0.00414 -0.00423 -0.00531 0.00026 213 2S -0.00548 0.00643 -0.00387 0.00516 -0.00408 214 23 H 1S 0.00419 0.00748 0.00264 0.00531 0.00064 215 2S 0.00267 0.00926 -0.00019 0.01089 -0.00374 41 42 43 44 45 41 3PX 0.04066 42 3PY 0.00235 0.03597 43 3PZ 0.02830 0.00080 0.06508 44 4XX -0.00138 -0.00512 -0.00032 0.00216 45 4YY 0.00132 0.00312 0.00094 -0.00121 0.00226 46 4ZZ -0.00080 -0.00474 -0.00101 0.00096 -0.00070 47 4XY -0.00499 -0.00055 -0.00220 0.00031 -0.00005 48 4XZ -0.00045 -0.00010 -0.00093 -0.00018 0.00055 49 4YZ -0.00195 0.00034 -0.00669 -0.00020 -0.00005 50 6 C 1S 0.00831 0.01167 -0.00553 -0.00335 0.00102 51 2S 0.00204 0.00243 0.00370 0.00494 -0.00259 52 2PX 0.00043 -0.04375 0.03084 0.00727 0.00115 53 2PY -0.01552 0.02768 0.00489 -0.00795 0.01302 54 2PZ 0.02880 0.02110 0.02275 0.00620 -0.00256 55 3S -0.01466 -0.03226 0.00647 0.01428 -0.00718 56 3PX 0.00581 -0.00951 0.01867 0.00335 0.00023 57 3PY -0.01071 0.00583 -0.00173 -0.00142 0.00239 58 3PZ 0.00696 -0.00581 0.00788 0.00731 -0.00309 59 4XX -0.00135 0.00146 -0.00264 -0.00008 -0.00028 60 4YY 0.00046 0.00088 0.00032 -0.00053 0.00072 61 4ZZ 0.00088 -0.00194 0.00247 0.00013 -0.00019 62 4XY 0.00144 0.00162 -0.00174 -0.00011 -0.00008 63 4XZ -0.00096 -0.00053 -0.00120 -0.00011 0.00038 64 4YZ -0.00260 -0.00237 -0.00104 0.00040 -0.00014 65 7 H 1S -0.01058 -0.02963 0.00257 0.00369 -0.00366 66 2S -0.01111 -0.02479 -0.00027 0.00222 -0.00283 67 8 C 1S 0.00024 -0.01099 -0.00338 0.00038 -0.00186 68 2S -0.00576 0.01205 0.00789 -0.00114 0.00381 69 2PX 0.02119 -0.01274 -0.00667 0.00573 -0.00199 70 2PY 0.00859 -0.02033 -0.00114 0.00500 -0.00970 71 2PZ -0.01715 -0.00726 0.01116 0.00420 -0.00013 72 3S -0.00532 0.02353 0.02168 -0.00318 0.00455 73 3PX 0.01027 -0.01113 -0.00910 0.00370 -0.00080 74 3PY -0.00524 -0.01084 0.00255 0.00466 -0.00470 75 3PZ -0.00663 -0.00238 0.00672 0.00288 -0.00098 76 4XX -0.00011 -0.00035 -0.00059 -0.00005 -0.00017 77 4YY 0.00006 0.00027 -0.00002 0.00006 0.00012 78 4ZZ 0.00086 -0.00099 -0.00041 0.00008 -0.00027 79 4XY 0.00043 0.00174 -0.00129 -0.00027 0.00000 80 4XZ -0.00045 0.00025 -0.00037 -0.00009 0.00013 81 4YZ -0.00175 -0.00079 -0.00060 -0.00026 0.00013 82 9 H 1S 0.01629 0.00020 -0.00424 0.00110 -0.00238 83 2S 0.01921 -0.00009 -0.00688 0.00110 -0.00297 84 10 C 1S 0.00058 0.01661 0.00134 -0.00036 -0.00033 85 2S -0.00056 -0.02202 -0.00055 0.00059 -0.00019 86 2PX -0.01348 0.00289 0.00524 -0.00023 -0.00052 87 2PY 0.00049 -0.00781 -0.00303 0.00004 0.00149 88 2PZ 0.00442 -0.01086 -0.00778 0.00076 -0.00074 89 3S -0.00352 -0.02836 -0.00755 0.00119 -0.00084 90 3PX 0.00296 -0.00167 -0.00436 -0.00036 0.00015 91 3PY 0.00167 0.00432 0.00478 -0.00027 -0.00127 92 3PZ -0.00436 -0.00478 0.00168 0.00077 -0.00034 93 4XX -0.00036 0.00027 0.00077 0.00044 -0.00031 94 4YY 0.00015 0.00127 -0.00034 -0.00031 0.00059 95 4ZZ 0.00038 0.00072 -0.00004 -0.00027 -0.00018 96 4XY 0.00307 -0.00008 -0.00229 0.00014 -0.00001 97 4XZ -0.00011 0.00007 -0.00008 0.00004 0.00011 98 4YZ -0.00244 0.00086 0.00132 -0.00004 0.00006 99 11 O 1S 0.00045 -0.00298 0.00021 0.00574 -0.01313 100 2S 0.00113 0.03149 -0.00026 -0.01260 0.02427 101 2PX 0.11643 0.01410 0.04579 -0.00987 0.00584 102 2PY -0.00402 0.05491 -0.01283 -0.01970 0.00717 103 2PZ 0.04634 0.00678 0.15490 -0.00105 0.00382 104 3S 0.00394 0.03498 0.00488 -0.01077 0.02861 105 3PX 0.07447 0.01014 0.02806 -0.00667 0.00394 106 3PY -0.00243 0.03093 -0.00710 -0.01033 0.00361 107 3PZ 0.02818 0.00473 0.09751 -0.00054 0.00258 108 4XX 0.00063 -0.00258 0.00009 0.00059 -0.00063 109 4YY -0.00108 0.00374 -0.00181 -0.00115 -0.00004 110 4ZZ -0.00003 -0.00228 0.00088 0.00046 -0.00050 111 4XY 0.00720 0.00077 0.00340 -0.00050 0.00031 112 4XZ 0.00091 0.00052 0.00121 -0.00015 0.00025 113 4YZ 0.00340 0.00063 0.01001 -0.00017 0.00023 114 12 O 1S -0.00010 -0.00182 -0.00013 0.00011 -0.00037 115 2S 0.00022 -0.00103 -0.00041 -0.00033 0.00117 116 2PX 0.02941 -0.00238 -0.02446 0.00038 0.00080 117 2PY 0.00052 0.01806 0.00298 0.00051 -0.00251 118 2PZ -0.02346 0.00101 0.01508 0.00012 0.00092 119 3S -0.00011 0.00895 -0.00083 -0.00044 0.00210 120 3PX 0.02137 -0.00090 -0.01761 0.00029 0.00062 121 3PY 0.00048 0.00759 0.00140 0.00043 -0.00175 122 3PZ -0.01669 0.00254 0.01083 -0.00008 0.00078 123 4XX 0.00012 0.00016 -0.00005 0.00002 -0.00008 124 4YY 0.00001 -0.00173 -0.00011 0.00001 0.00005 125 4ZZ -0.00014 0.00021 0.00008 -0.00006 -0.00005 126 4XY -0.00077 0.00017 0.00089 -0.00002 -0.00002 127 4XZ -0.00001 0.00004 -0.00008 -0.00001 0.00006 128 4YZ 0.00086 0.00037 -0.00029 -0.00003 -0.00002 129 13 C 1S 0.00155 0.00137 0.00324 -0.00072 -0.00005 130 2S -0.00923 -0.00999 -0.00500 0.00069 -0.00011 131 2PX 0.00139 0.02081 -0.00652 -0.00499 0.00236 132 2PY 0.00454 -0.00169 0.00256 -0.00018 -0.00016 133 2PZ -0.00455 -0.01380 -0.00212 -0.00423 0.00095 134 3S -0.01674 -0.00368 -0.02074 0.00060 0.00008 135 3PX -0.00539 0.00850 -0.01175 -0.00304 0.00113 136 3PY 0.00374 0.00422 -0.00167 -0.00101 0.00117 137 3PZ -0.00143 -0.00399 0.00002 -0.00296 0.00074 138 4XX 0.00116 0.00033 0.00153 0.00018 -0.00009 139 4YY -0.00048 -0.00030 -0.00089 -0.00015 0.00005 140 4ZZ -0.00012 0.00013 0.00001 0.00010 -0.00006 141 4XY 0.00026 0.00047 0.00005 -0.00005 -0.00002 142 4XZ 0.00058 -0.00073 0.00108 0.00031 -0.00012 143 4YZ 0.00008 -0.00050 0.00038 -0.00005 -0.00004 144 14 C 1S 0.00131 0.00061 -0.00138 0.00024 -0.00013 145 2S 0.00279 0.00702 -0.00232 -0.00090 0.00042 146 2PX 0.00193 -0.01779 0.01256 0.00132 -0.00088 147 2PY 0.00608 -0.00295 -0.00112 0.00028 -0.00056 148 2PZ 0.00278 0.00014 0.00714 0.00047 0.00018 149 3S 0.00636 -0.00087 0.01482 0.00038 -0.00004 150 3PX 0.00124 -0.00621 0.00165 0.00072 -0.00026 151 3PY -0.00040 -0.00441 0.00012 0.00041 -0.00039 152 3PZ 0.00531 -0.00506 0.01196 0.00107 -0.00024 153 4XX -0.00024 -0.00033 0.00002 0.00023 -0.00007 154 4YY 0.00009 -0.00004 -0.00001 -0.00006 0.00001 155 4ZZ -0.00006 -0.00013 0.00004 -0.00018 0.00006 156 4XY 0.00006 0.00003 0.00036 0.00019 -0.00004 157 4XZ 0.00009 -0.00006 0.00002 0.00013 -0.00005 158 4YZ -0.00008 -0.00078 0.00091 0.00019 -0.00010 159 15 C 1S -0.00179 -0.00058 0.00012 0.00003 0.00005 160 2S 0.00035 -0.00033 0.00175 -0.00025 -0.00009 161 2PX 0.00460 -0.00696 0.01033 0.00324 -0.00076 162 2PY -0.00713 -0.00052 0.00329 0.00021 0.00022 163 2PZ -0.00268 -0.01115 0.01953 0.00344 -0.00129 164 3S 0.00024 0.00220 -0.00240 0.00011 -0.00066 165 3PX 0.00146 -0.00761 0.01070 0.00267 -0.00046 166 3PY -0.00356 -0.00230 0.00448 0.00026 0.00020 167 3PZ -0.00195 -0.00698 0.00911 0.00289 -0.00120 168 4XX -0.00015 -0.00008 -0.00048 -0.00001 0.00001 169 4YY 0.00022 0.00031 -0.00010 -0.00004 0.00002 170 4ZZ 0.00000 0.00005 0.00038 0.00000 0.00002 171 4XY 0.00016 0.00069 -0.00063 -0.00006 0.00005 172 4XZ 0.00020 -0.00018 -0.00004 0.00007 -0.00002 173 4YZ -0.00029 0.00003 0.00003 0.00000 -0.00001 174 16 C 1S 0.00117 -0.00182 0.00067 0.00057 0.00008 175 2S -0.00093 0.00563 -0.00123 -0.00098 0.00019 176 2PX -0.00523 -0.00365 0.01495 0.00081 -0.00040 177 2PY -0.00145 0.00156 0.00599 0.00036 -0.00025 178 2PZ 0.00552 0.00606 0.00566 0.00043 0.00029 179 3S -0.00541 0.00367 -0.00125 -0.00146 0.00080 180 3PX -0.00099 -0.00209 0.00983 0.00108 -0.00014 181 3PY 0.00135 -0.00127 0.00394 0.00051 -0.00093 182 3PZ 0.00038 0.00238 0.00521 0.00027 0.00007 183 4XX -0.00014 -0.00108 0.00098 0.00029 -0.00011 184 4YY 0.00013 0.00005 -0.00024 -0.00012 0.00003 185 4ZZ 0.00038 0.00044 -0.00058 -0.00001 -0.00002 186 4XY -0.00011 -0.00010 -0.00034 0.00002 0.00005 187 4XZ 0.00019 -0.00043 0.00036 0.00025 -0.00009 188 4YZ -0.00009 -0.00001 0.00004 0.00001 0.00001 189 17 H 1S -0.00629 -0.00521 -0.00466 -0.00024 0.00019 190 2S 0.00546 0.00142 0.00173 -0.00174 0.00173 191 18 H 1S -0.00168 -0.00406 0.00239 -0.00018 -0.00006 192 2S -0.00232 -0.00711 0.00421 0.00005 -0.00026 193 19 H 1S 0.00066 0.00245 -0.00222 -0.00022 0.00031 194 2S 0.00141 0.00405 -0.00455 -0.00039 0.00025 195 20 H 1S 0.00026 0.00392 0.00178 -0.00047 0.00012 196 2S 0.00198 0.00356 -0.00076 -0.00041 0.00054 197 21 C 1S -0.00070 0.00158 0.00234 0.00023 -0.00016 198 2S -0.00106 -0.00346 -0.00481 -0.00092 0.00021 199 2PX 0.00114 0.00743 0.00349 0.00000 -0.00007 200 2PY 0.00762 0.01773 -0.00259 0.00032 0.00045 201 2PZ 0.00063 0.01070 0.00516 0.00127 -0.00038 202 3S 0.00028 -0.00518 -0.00379 0.00031 -0.00073 203 3PX 0.00507 0.00266 0.00583 -0.00042 -0.00033 204 3PY 0.00484 0.00935 -0.00268 0.00013 0.00033 205 3PZ -0.00121 0.00899 -0.00233 0.00010 0.00036 206 4XX 0.00011 0.00025 0.00044 -0.00003 0.00000 207 4YY -0.00017 -0.00027 -0.00025 -0.00011 0.00002 208 4ZZ -0.00002 0.00037 -0.00012 0.00017 -0.00005 209 4XY 0.00023 0.00017 0.00061 0.00017 -0.00007 210 4XZ 0.00019 0.00045 0.00043 0.00022 -0.00005 211 4YZ -0.00029 -0.00082 0.00038 0.00013 -0.00006 212 22 H 1S 0.00015 -0.00282 -0.00113 -0.00072 0.00011 213 2S 0.00324 -0.00435 0.00374 -0.00169 -0.00015 214 23 H 1S 0.00069 0.00670 0.00259 0.00113 -0.00039 215 2S 0.00039 0.00330 0.00431 0.00259 -0.00076 46 47 48 49 50 46 4ZZ 0.00175 47 4XY -0.00041 0.00399 48 4XZ -0.00030 0.00030 0.00058 49 4YZ 0.00019 -0.00133 0.00020 0.00308 50 6 C 1S -0.00038 -0.00616 0.00314 0.00441 2.05570 51 2S -0.00066 0.01145 -0.00548 -0.00839 -0.05924 52 2PX 0.00048 -0.00962 0.00265 0.01350 0.00145 53 2PY -0.00147 -0.00448 0.00533 0.00320 0.00313 54 2PZ -0.00968 0.01227 0.00498 0.00092 0.00509 55 3S 0.00110 0.02904 -0.00489 -0.01823 -0.23487 56 3PX -0.00265 -0.00486 0.00182 0.00918 0.00487 57 3PY 0.00105 0.00057 0.00105 -0.00088 -0.00428 58 3PZ -0.00352 0.00827 0.00290 0.00295 -0.01642 59 4XX -0.00012 -0.00005 0.00000 0.00028 -0.01342 60 4YY -0.00025 -0.00030 0.00026 0.00018 -0.01639 61 4ZZ 0.00021 -0.00047 -0.00011 0.00015 -0.01493 62 4XY -0.00050 0.00044 0.00006 0.00016 -0.00011 63 4XZ -0.00010 0.00003 0.00047 0.00031 0.00417 64 4YZ 0.00038 -0.00012 -0.00016 0.00034 -0.00260 65 7 H 1S 0.00529 -0.00326 -0.00554 -0.00078 -0.06124 66 2S 0.00593 -0.00818 -0.00383 0.00403 -0.01187 67 8 C 1S 0.00066 -0.00031 -0.00053 -0.00045 0.01663 68 2S -0.00133 0.00072 0.00124 0.00067 -0.03553 69 2PX -0.00240 0.00100 0.00128 0.00593 -0.00953 70 2PY 0.00135 -0.00199 -0.00118 0.00267 0.07730 71 2PZ -0.00262 0.00157 0.00100 0.00411 -0.00965 72 3S -0.00335 -0.00693 0.00256 0.00723 0.03073 73 3PX -0.00154 0.00067 0.00083 0.00452 -0.01309 74 3PY 0.00024 0.00549 -0.00067 -0.00238 -0.00315 75 3PZ -0.00159 0.00086 0.00040 0.00344 0.00212 76 4XX 0.00008 -0.00015 -0.00008 -0.00020 0.00280 77 4YY -0.00004 0.00025 -0.00010 -0.00017 -0.00643 78 4ZZ 0.00007 0.00002 -0.00002 0.00012 0.00232 79 4XY 0.00001 0.00032 -0.00009 -0.00054 -0.00037 80 4XZ -0.00001 -0.00001 -0.00003 -0.00016 -0.00067 81 4YZ 0.00034 -0.00047 -0.00022 -0.00014 -0.00047 82 9 H 1S -0.00005 0.00076 0.00023 0.00039 0.01197 83 2S 0.00016 0.00235 -0.00010 -0.00064 0.01510 84 10 C 1S -0.00057 0.00000 -0.00011 0.00019 -0.00341 85 2S 0.00068 0.00005 -0.00003 -0.00012 0.00908 86 2PX 0.00073 -0.00175 -0.00036 0.00235 0.00899 87 2PY 0.00006 0.00017 0.00019 0.00067 -0.00946 88 2PZ 0.00025 0.00253 0.00002 0.00075 -0.00730 89 3S 0.00168 0.00047 -0.00076 -0.00128 -0.00324 90 3PX 0.00038 -0.00307 -0.00011 0.00244 0.00024 91 3PY -0.00072 -0.00008 -0.00007 0.00086 0.01099 92 3PZ -0.00004 0.00229 -0.00008 -0.00132 -0.00338 93 4XX -0.00027 -0.00014 0.00004 0.00004 0.00038 94 4YY -0.00018 0.00001 0.00011 -0.00006 -0.00186 95 4ZZ 0.00027 0.00021 -0.00008 0.00014 0.00066 96 4XY -0.00021 -0.00021 0.00003 -0.00039 0.00031 97 4XZ -0.00008 -0.00003 0.00001 0.00002 -0.00053 98 4YZ -0.00014 -0.00039 -0.00002 -0.00059 0.00045 99 11 O 1S 0.00484 -0.00186 -0.00151 -0.00129 -0.00282 100 2S -0.01075 0.00389 0.00334 0.00263 0.00573 101 2PX 0.00077 -0.04610 -0.00276 0.01104 0.02875 102 2PY -0.01850 0.00617 0.00391 0.00314 0.01286 103 2PZ -0.00526 0.01139 -0.00290 -0.03894 -0.01870 104 3S -0.00834 0.00265 0.00359 0.00196 0.01054 105 3PX 0.00099 -0.03299 -0.00200 0.00847 0.02226 106 3PY -0.00959 0.00357 0.00230 0.00160 0.00754 107 3PZ -0.00344 0.00876 -0.00196 -0.02730 -0.01415 108 4XX 0.00050 -0.00031 -0.00007 -0.00001 -0.00073 109 4YY -0.00120 0.00047 0.00010 0.00031 -0.00002 110 4ZZ 0.00050 -0.00001 -0.00009 -0.00028 -0.00080 111 4XY -0.00014 -0.00168 -0.00012 0.00003 -0.00012 112 4XZ -0.00014 -0.00011 0.00004 -0.00014 0.00003 113 4YZ -0.00029 0.00004 -0.00018 -0.00172 0.00014 114 12 O 1S 0.00009 -0.00001 0.00004 -0.00003 0.00112 115 2S -0.00009 0.00011 0.00006 0.00016 -0.00244 116 2PX -0.00163 -0.00171 0.00025 -0.00396 -0.00875 117 2PY -0.00055 -0.00062 -0.00041 -0.00086 0.00730 118 2PZ -0.00158 -0.00345 0.00021 -0.00476 0.00893 119 3S -0.00001 -0.00021 0.00024 -0.00032 -0.00776 120 3PX -0.00127 -0.00099 0.00021 -0.00339 -0.00629 121 3PY -0.00035 -0.00033 -0.00032 -0.00055 0.00507 122 3PZ -0.00119 -0.00293 0.00016 -0.00357 0.00720 123 4XX -0.00006 -0.00002 -0.00001 0.00000 0.00016 124 4YY 0.00005 0.00004 0.00001 0.00006 0.00018 125 4ZZ -0.00001 0.00003 -0.00001 0.00002 0.00014 126 4XY 0.00004 0.00011 0.00000 0.00012 -0.00005 127 4XZ -0.00002 -0.00003 0.00001 -0.00004 -0.00019 128 4YZ 0.00006 0.00009 -0.00001 0.00018 -0.00012 129 13 C 1S -0.00006 -0.00032 -0.00062 -0.00055 -0.00219 130 2S 0.00028 0.00044 0.00118 0.00090 0.00171 131 2PX 0.00253 -0.00246 -0.00309 -0.00507 0.00623 132 2PY 0.00022 -0.00022 -0.00033 0.00076 -0.00161 133 2PZ 0.00263 -0.00248 -0.00156 -0.00349 0.00550 134 3S -0.00093 0.00273 0.00185 0.00094 0.01599 135 3PX 0.00222 -0.00126 -0.00220 -0.00259 -0.00175 136 3PY -0.00014 -0.00186 -0.00025 -0.00046 0.00381 137 3PZ 0.00149 0.00033 -0.00119 -0.00350 -0.00314 138 4XX -0.00012 0.00014 -0.00006 -0.00004 -0.00129 139 4YY 0.00009 -0.00008 0.00002 -0.00008 0.00043 140 4ZZ 0.00001 -0.00002 0.00000 0.00019 -0.00073 141 4XY 0.00004 -0.00007 -0.00007 -0.00007 0.00010 142 4XZ -0.00011 0.00014 -0.00001 0.00012 -0.00116 143 4YZ 0.00005 -0.00004 -0.00005 -0.00005 -0.00010 144 14 C 1S -0.00012 0.00013 -0.00007 0.00020 -0.00144 145 2S 0.00004 0.00005 -0.00021 -0.00080 0.00344 146 2PX -0.00046 0.00062 -0.00007 0.00039 -0.00841 147 2PY -0.00033 0.00013 0.00026 0.00029 -0.00051 148 2PZ 0.00021 0.00019 -0.00106 -0.00109 -0.00666 149 3S -0.00059 0.00051 0.00043 -0.00025 -0.00475 150 3PX -0.00031 0.00038 -0.00034 -0.00013 -0.00385 151 3PY -0.00006 -0.00027 0.00039 0.00134 -0.00047 152 3PZ -0.00033 0.00014 -0.00041 -0.00053 -0.00685 153 4XX -0.00010 0.00013 0.00012 0.00024 -0.00048 154 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00006 155 4ZZ 0.00011 -0.00011 -0.00010 -0.00016 -0.00002 156 4XY -0.00009 0.00007 0.00006 0.00016 -0.00032 157 4XZ -0.00005 0.00001 0.00002 0.00013 -0.00047 158 4YZ -0.00009 0.00007 0.00008 0.00026 -0.00050 159 15 C 1S 0.00010 -0.00006 -0.00006 0.00005 -0.00065 160 2S -0.00013 0.00002 0.00020 -0.00017 0.00087 161 2PX -0.00170 0.00108 0.00106 0.00370 -0.00838 162 2PY 0.00018 -0.00005 0.00002 0.00037 -0.00159 163 2PZ -0.00161 0.00124 0.00158 0.00414 -0.00802 164 3S 0.00035 0.00017 -0.00054 -0.00091 0.00403 165 3PX -0.00169 0.00072 0.00134 0.00331 -0.00828 166 3PY -0.00018 -0.00020 0.00035 0.00076 -0.00290 167 3PZ -0.00114 0.00087 0.00093 0.00323 -0.00469 168 4XX 0.00004 -0.00004 -0.00006 -0.00006 -0.00008 169 4YY -0.00001 0.00002 0.00000 -0.00003 -0.00008 170 4ZZ 0.00000 -0.00001 0.00001 0.00006 -0.00022 171 4XY 0.00002 -0.00005 0.00000 0.00000 0.00031 172 4XZ -0.00005 0.00003 0.00003 0.00007 -0.00026 173 4YZ -0.00003 0.00000 0.00009 0.00010 0.00020 174 16 C 1S -0.00023 0.00029 0.00028 0.00058 -0.00138 175 2S 0.00075 -0.00059 -0.00067 -0.00129 0.00437 176 2PX -0.00078 0.00095 0.00160 0.00261 -0.00315 177 2PY -0.00058 0.00068 0.00070 0.00118 -0.00497 178 2PZ -0.00058 0.00043 0.00072 0.00161 -0.00052 179 3S 0.00052 -0.00092 -0.00056 -0.00228 -0.00204 180 3PX -0.00120 0.00134 0.00182 0.00312 -0.00196 181 3PY 0.00055 0.00002 -0.00026 0.00120 0.00255 182 3PZ -0.00010 0.00020 0.00063 0.00200 -0.00021 183 4XX -0.00012 0.00008 0.00011 0.00033 -0.00061 184 4YY 0.00007 -0.00005 -0.00002 -0.00006 0.00000 185 4ZZ 0.00002 0.00000 -0.00005 -0.00008 0.00029 186 4XY -0.00001 0.00000 0.00002 0.00001 -0.00031 187 4XZ -0.00011 0.00007 0.00005 0.00028 -0.00050 188 4YZ -0.00003 0.00002 0.00005 0.00006 -0.00040 189 17 H 1S 0.00026 -0.00030 0.00060 -0.00031 0.00398 190 2S 0.00074 -0.00487 -0.00043 -0.00126 0.00633 191 18 H 1S -0.00004 0.00008 0.00021 0.00020 0.00115 192 2S 0.00008 -0.00031 0.00028 0.00078 0.00003 193 19 H 1S 0.00011 -0.00018 -0.00028 -0.00030 0.00034 194 2S 0.00040 -0.00017 -0.00061 -0.00066 0.00157 195 20 H 1S 0.00003 0.00005 0.00012 -0.00001 -0.00110 196 2S -0.00067 0.00007 0.00063 -0.00041 -0.00273 197 21 C 1S -0.00013 0.00029 -0.00014 0.00031 -0.00249 198 2S 0.00056 -0.00075 0.00007 -0.00101 0.00450 199 2PX 0.00013 0.00021 -0.00131 0.00052 -0.00323 200 2PY -0.00046 0.00042 -0.00068 -0.00111 0.00092 201 2PZ -0.00138 0.00093 0.00022 0.00054 -0.00610 202 3S 0.00039 -0.00217 -0.00022 -0.00106 0.00837 203 3PX 0.00083 -0.00034 -0.00114 0.00031 -0.00299 204 3PY -0.00067 0.00123 -0.00008 -0.00091 0.00112 205 3PZ -0.00104 -0.00082 -0.00007 -0.00184 -0.00300 206 4XX -0.00001 0.00000 0.00001 -0.00005 -0.00038 207 4YY 0.00010 -0.00008 -0.00004 -0.00006 0.00016 208 4ZZ -0.00010 0.00010 0.00001 0.00008 -0.00054 209 4XY -0.00012 0.00011 0.00010 0.00018 -0.00015 210 4XZ -0.00016 0.00016 0.00002 0.00018 -0.00088 211 4YZ -0.00006 0.00008 0.00012 0.00020 -0.00027 212 22 H 1S 0.00042 -0.00026 0.00059 -0.00023 0.00274 213 2S 0.00207 0.00072 -0.00003 0.00145 0.00137 214 23 H 1S -0.00092 0.00080 -0.00013 0.00076 -0.00434 215 2S -0.00160 0.00217 0.00052 0.00263 -0.00624 51 52 53 54 55 51 2S 0.31847 52 2PX -0.00603 0.36791 53 2PY 0.00004 0.00064 0.42070 54 2PZ -0.01187 -0.04034 0.01215 0.37981 55 3S 0.34193 -0.02016 -0.08049 0.05803 0.55077 56 3PX 0.00053 0.20172 0.00184 0.02939 -0.01593 57 3PY -0.00180 -0.01374 0.12904 -0.01196 0.01135 58 3PZ 0.00749 0.03534 -0.01924 0.20401 0.07121 59 4XX -0.00942 -0.00694 -0.00696 0.00255 -0.00827 60 4YY -0.00198 0.00184 0.01326 -0.00063 -0.00616 61 4ZZ -0.00559 0.00818 -0.01015 -0.00506 -0.00366 62 4XY 0.00025 -0.00529 -0.00320 0.01098 0.00171 63 4XZ -0.00847 0.00180 0.00834 0.00361 -0.00907 64 4YZ 0.00512 0.01088 -0.00333 -0.00928 0.00632 65 7 H 1S 0.11770 0.12226 -0.13332 -0.19798 0.11828 66 2S 0.02691 0.10878 -0.09888 -0.16590 0.00422 67 8 C 1S -0.03553 -0.00953 -0.07730 -0.00964 0.03073 68 2S 0.06349 0.01871 0.15687 0.01634 -0.01015 69 2PX 0.01871 0.12646 -0.01472 0.09033 0.05251 70 2PY -0.15687 0.01471 -0.31983 0.01355 -0.13512 71 2PZ 0.01634 0.09033 -0.01355 0.09992 0.04785 72 3S -0.01015 0.05252 0.13512 0.04785 -0.17859 73 3PX 0.01711 0.07923 -0.01034 0.06045 0.04615 74 3PY -0.01427 0.00252 -0.11218 0.03019 0.04964 75 3PZ 0.00543 0.06691 -0.02380 0.06418 0.01465 76 4XX -0.00612 -0.00339 -0.00892 -0.00297 -0.00513 77 4YY 0.01084 0.00022 0.00633 -0.00017 0.01281 78 4ZZ -0.00554 0.00072 -0.00970 -0.00020 -0.00403 79 4XY 0.00087 -0.01257 0.00226 -0.00001 0.00039 80 4XZ 0.00140 -0.00142 0.00213 -0.00133 0.00254 81 4YZ 0.00069 -0.00004 -0.00074 -0.01332 -0.00015 82 9 H 1S -0.02568 -0.00897 -0.03919 0.01495 -0.04656 83 2S -0.02813 -0.02641 -0.06258 0.02568 -0.02069 84 10 C 1S 0.00781 -0.00169 0.01402 0.00455 -0.00945 85 2S -0.01886 0.00917 -0.03691 -0.00798 -0.00356 86 2PX -0.02203 0.01367 -0.03561 -0.01233 -0.02400 87 2PY 0.02431 -0.00258 0.03579 0.01033 0.06830 88 2PZ 0.01538 0.01198 0.00715 0.01886 0.03572 89 3S -0.01172 0.00910 -0.05738 -0.03944 0.01399 90 3PX -0.00576 0.02119 -0.00859 -0.01715 -0.00532 91 3PY -0.01205 0.01274 -0.02033 0.00726 -0.02353 92 3PZ 0.00789 -0.00667 0.00114 0.01116 0.02168 93 4XX -0.00114 0.00573 -0.00500 0.00420 -0.00318 94 4YY 0.00381 -0.00199 0.00970 -0.00013 0.00455 95 4ZZ -0.00133 -0.00240 -0.00135 -0.00262 -0.00335 96 4XY -0.00072 -0.00100 -0.00199 -0.00157 0.00693 97 4XZ 0.00124 0.00128 0.00119 0.00100 0.00256 98 4YZ -0.00067 -0.00593 0.00267 -0.00411 -0.00723 99 11 O 1S 0.00538 -0.00269 -0.01047 0.00110 0.00337 100 2S -0.01244 0.00991 0.02305 -0.00482 -0.02107 101 2PX -0.04842 0.03561 0.06770 -0.06075 -0.28919 102 2PY -0.02094 0.03200 0.03673 -0.01486 -0.10734 103 2PZ 0.03915 -0.05631 -0.03709 -0.01523 0.15039 104 3S -0.00577 -0.00904 0.06021 0.00908 -0.00502 105 3PX -0.04014 0.02836 0.05880 -0.05468 -0.21149 106 3PY -0.00936 0.01419 0.03124 -0.00269 -0.05570 107 3PZ 0.03116 -0.05524 -0.03008 -0.01596 0.11143 108 4XX 0.00007 0.00144 -0.00219 0.00019 0.00121 109 4YY -0.00077 0.00027 -0.00142 -0.00038 -0.00603 110 4ZZ -0.00001 0.00054 -0.00128 -0.00166 0.00257 111 4XY 0.00047 -0.00192 -0.00084 0.00157 -0.00854 112 4XZ -0.00022 -0.00008 0.00114 0.00063 -0.00084 113 4YZ 0.00014 0.00204 0.00025 -0.00108 0.00306 114 12 O 1S -0.00269 0.00134 -0.00581 -0.00050 -0.00207 115 2S 0.00561 -0.00155 0.01227 0.00035 0.01151 116 2PX 0.01347 -0.01938 0.04402 -0.01401 0.11916 117 2PY -0.01951 -0.00014 -0.03258 -0.00567 -0.06339 118 2PZ -0.01486 -0.04296 -0.00419 -0.02966 -0.07724 119 3S 0.01514 -0.01519 0.04220 0.00505 0.01117 120 3PX 0.01109 -0.02014 0.03629 -0.00810 0.08488 121 3PY -0.01375 0.00266 -0.02808 -0.00590 -0.03586 122 3PZ -0.01269 -0.03288 -0.00289 -0.02552 -0.06077 123 4XX -0.00068 0.00101 -0.00181 -0.00015 -0.00076 124 4YY -0.00001 0.00067 -0.00068 0.00003 0.00265 125 4ZZ -0.00062 0.00012 -0.00110 -0.00069 -0.00197 126 4XY 0.00014 0.00073 -0.00054 0.00089 -0.00452 127 4XZ 0.00035 -0.00026 0.00081 -0.00026 0.00057 128 4YZ 0.00013 0.00159 -0.00025 0.00090 0.00187 129 13 C 1S 0.00203 -0.00550 -0.00058 -0.00731 0.01382 130 2S -0.01398 0.00685 0.00215 0.01154 0.00283 131 2PX -0.00577 -0.09400 0.01782 -0.08418 -0.01791 132 2PY -0.00146 0.01402 -0.01101 0.01057 0.01924 133 2PZ -0.00901 -0.07591 0.01524 -0.09387 0.00294 134 3S -0.01073 -0.00311 0.01239 0.01790 -0.00436 135 3PX 0.00447 -0.05779 0.01569 -0.06835 -0.00234 136 3PY 0.00250 -0.00799 0.01863 -0.00622 -0.00873 137 3PZ 0.00128 -0.05632 0.00853 -0.05215 0.01416 138 4XX 0.00225 0.00173 -0.00209 0.00414 0.00430 139 4YY -0.00208 -0.00353 0.00136 -0.00324 -0.00466 140 4ZZ 0.00042 0.00380 -0.00071 0.00031 0.00026 141 4XY -0.00034 -0.00145 -0.00104 -0.00123 -0.00070 142 4XZ 0.00307 0.00573 -0.00240 0.00370 0.00475 143 4YZ -0.00021 -0.00087 -0.00149 -0.00138 0.00120 144 14 C 1S 0.00204 0.00497 -0.00109 -0.00045 0.00163 145 2S -0.00522 -0.02040 0.00484 0.00009 -0.01160 146 2PX 0.01939 0.01890 -0.01022 -0.00010 0.04472 147 2PY 0.00238 0.00523 -0.00224 -0.00198 -0.00485 148 2PZ 0.01539 -0.00176 -0.00986 -0.00745 0.04558 149 3S -0.00232 0.01647 -0.00697 0.01960 0.01242 150 3PX 0.01480 0.00361 -0.00363 0.00094 0.02823 151 3PY -0.00202 0.01714 -0.00203 -0.00012 -0.00093 152 3PZ 0.01175 0.01415 -0.01546 0.00809 0.03700 153 4XX 0.00017 0.00460 -0.00072 0.00457 0.00094 154 4YY -0.00027 -0.00185 0.00052 -0.00067 -0.00131 155 4ZZ -0.00003 -0.00330 0.00034 -0.00339 0.00041 156 4XY 0.00069 0.00322 -0.00038 0.00259 0.00141 157 4XZ 0.00112 0.00314 -0.00019 0.00085 0.00068 158 4YZ 0.00061 0.00407 -0.00096 0.00285 0.00173 159 15 C 1S 0.00016 0.00211 0.00050 0.00103 0.00336 160 2S -0.00050 -0.00557 0.00086 -0.00422 -0.00405 161 2PX 0.01597 0.06593 -0.00322 0.04620 0.03427 162 2PY 0.00077 0.00743 0.00036 0.00371 0.01498 163 2PZ 0.01638 0.06825 -0.00707 0.04569 0.04233 164 3S 0.00223 -0.01990 -0.01251 -0.00973 -0.00270 165 3PX 0.01167 0.06369 0.00182 0.04066 0.02513 166 3PY 0.00108 0.01666 0.00366 0.00389 0.00926 167 3PZ 0.01116 0.05173 -0.01246 0.03488 0.03002 168 4XX -0.00003 -0.00023 -0.00097 -0.00056 -0.00038 169 4YY 0.00007 -0.00072 0.00053 -0.00006 0.00034 170 4ZZ 0.00024 0.00043 0.00044 -0.00012 -0.00003 171 4XY -0.00080 -0.00067 0.00068 -0.00004 -0.00255 172 4XZ 0.00049 0.00187 0.00021 0.00133 0.00121 173 4YZ -0.00046 0.00069 0.00115 0.00076 -0.00131 174 16 C 1S 0.00253 0.00949 0.00180 0.00909 0.00499 175 2S -0.00366 -0.02429 -0.00626 -0.02179 -0.02606 176 2PX 0.00497 0.02520 0.01756 0.02282 0.02359 177 2PY 0.00682 0.01736 0.01273 0.01634 0.03919 178 2PZ 0.00329 0.01188 0.01603 0.00966 -0.01840 179 3S -0.00498 -0.02385 0.00561 -0.03620 -0.03013 180 3PX 0.00329 0.03415 0.02262 0.04063 0.01035 181 3PY 0.00104 0.00745 -0.01962 0.00690 0.01258 182 3PZ 0.00214 0.01414 0.01360 0.00862 -0.01339 183 4XX 0.00105 0.00574 -0.00133 0.00424 0.00341 184 4YY -0.00032 -0.00179 0.00057 -0.00177 -0.00018 185 4ZZ -0.00014 -0.00093 -0.00060 0.00025 -0.00080 186 4XY 0.00029 0.00060 0.00101 0.00046 -0.00040 187 4XZ 0.00081 0.00515 -0.00091 0.00443 0.00209 188 4YZ 0.00049 0.00108 0.00134 0.00110 0.00129 189 17 H 1S -0.00764 -0.01417 0.01225 -0.01428 -0.01878 190 2S -0.00763 -0.02579 0.02883 -0.03793 -0.04505 191 18 H 1S -0.00235 -0.00183 0.00174 0.00329 -0.00166 192 2S -0.00301 0.00836 -0.00292 0.00051 0.00011 193 19 H 1S -0.00080 -0.00396 0.00080 -0.00263 -0.00254 194 2S -0.00211 -0.01268 -0.00353 -0.00576 -0.00510 195 20 H 1S 0.00190 -0.00345 0.00941 -0.00332 0.00777 196 2S 0.00247 -0.00405 0.02681 0.00272 0.01580 197 21 C 1S 0.00412 0.00644 0.00119 0.00897 0.00984 198 2S -0.01055 -0.01937 -0.00279 -0.02618 -0.02012 199 2PX 0.00794 0.00634 -0.00064 0.01441 0.01281 200 2PY 0.00548 -0.01018 -0.00362 0.00479 -0.04203 201 2PZ 0.01412 0.02266 0.00489 0.02855 0.02887 202 3S -0.01591 -0.01501 -0.02179 -0.02516 -0.01773 203 3PX 0.00317 -0.00043 -0.01578 -0.00254 0.00641 204 3PY 0.00344 -0.00945 -0.00223 0.01222 -0.01403 205 3PZ 0.00400 -0.01009 0.00988 -0.00550 -0.00078 206 4XX 0.00042 -0.00076 -0.00002 -0.00085 0.00093 207 4YY -0.00069 -0.00211 0.00003 -0.00291 -0.00145 208 4ZZ 0.00051 0.00273 -0.00116 0.00379 0.00101 209 4XY 0.00035 0.00275 0.00001 0.00375 -0.00051 210 4XZ 0.00179 0.00433 0.00033 0.00582 0.00285 211 4YZ -0.00013 0.00295 0.00032 0.00285 0.00250 212 22 H 1S -0.00604 -0.01117 0.00133 -0.01883 -0.00997 213 2S -0.00403 -0.00732 -0.00679 -0.02273 -0.00351 214 23 H 1S 0.00904 0.02163 -0.00140 0.02960 0.01794 215 2S 0.01437 0.05338 -0.00332 0.06454 0.03231 56 57 58 59 60 56 3PX 0.12665 57 3PY -0.01127 0.06783 58 3PZ 0.04359 -0.01222 0.13016 59 4XX -0.00319 -0.00109 0.00064 0.00095 60 4YY 0.00122 0.00212 -0.00146 -0.00022 0.00091 61 4ZZ 0.00361 -0.00275 -0.00119 0.00022 -0.00017 62 4XY -0.00106 -0.00161 0.00483 0.00015 -0.00001 63 4XZ 0.00097 0.00240 0.00178 0.00012 0.00031 64 4YZ 0.00448 -0.00137 -0.00268 -0.00037 -0.00011 65 7 H 1S 0.04305 -0.03798 -0.07670 -0.00427 -0.00388 66 2S 0.03775 -0.02833 -0.06535 -0.00150 -0.00311 67 8 C 1S -0.01309 0.00315 0.00212 0.00280 -0.00643 68 2S 0.01711 0.01427 0.00543 -0.00612 0.01084 69 2PX 0.07923 -0.00252 0.06691 -0.00339 0.00022 70 2PY 0.01033 -0.11218 0.02380 0.00892 -0.00633 71 2PZ 0.06045 -0.03019 0.06418 -0.00297 -0.00017 72 3S 0.04615 -0.04964 0.01465 -0.00513 0.01281 73 3PX 0.04911 -0.00377 0.04639 -0.00246 0.00044 74 3PY 0.00377 -0.02297 0.02953 0.00212 -0.00328 75 3PZ 0.04639 -0.02953 0.04105 -0.00215 0.00015 76 4XX -0.00246 -0.00212 -0.00215 0.00044 -0.00035 77 4YY 0.00044 0.00328 0.00015 -0.00035 0.00004 78 4ZZ 0.00003 -0.00266 0.00024 0.00025 -0.00026 79 4XY -0.00739 0.00127 -0.00220 0.00015 0.00000 80 4XZ -0.00123 0.00166 -0.00154 -0.00002 -0.00016 81 4YZ -0.00202 0.00061 -0.00763 -0.00007 -0.00009 82 9 H 1S -0.00112 -0.01778 0.01129 0.00126 0.00198 83 2S -0.01049 -0.01262 0.01515 0.00231 -0.00081 84 10 C 1S 0.00354 0.00138 -0.00339 -0.00021 -0.00053 85 2S 0.00183 -0.01355 0.00363 0.00064 0.00092 86 2PX 0.01022 -0.01499 -0.00471 0.00012 0.00177 87 2PY 0.00004 0.04309 0.00458 -0.00020 -0.00147 88 2PZ -0.00489 0.00466 0.01409 -0.00116 -0.00111 89 3S -0.00799 -0.01650 -0.01070 0.00075 -0.00040 90 3PX 0.01027 0.00524 -0.00664 -0.00011 0.00006 91 3PY 0.01113 -0.01084 0.00238 0.00035 -0.00027 92 3PZ -0.00910 -0.00255 0.00672 -0.00059 -0.00002 93 4XX 0.00370 -0.00466 0.00288 -0.00005 0.00006 94 4YY -0.00080 0.00470 -0.00098 -0.00017 0.00012 95 4ZZ -0.00154 -0.00024 -0.00159 0.00008 -0.00004 96 4XY -0.00067 0.00549 -0.00086 0.00015 -0.00025 97 4XZ 0.00083 0.00067 0.00040 -0.00008 -0.00010 98 4YZ -0.00452 -0.00238 -0.00344 0.00020 0.00017 99 11 O 1S 0.00508 -0.00052 -0.00420 -0.00033 -0.00116 100 2S -0.00521 -0.00472 0.00254 0.00069 0.00262 101 2PX 0.02728 -0.03415 -0.07584 -0.00318 0.00707 102 2PY 0.05634 -0.01946 -0.04540 -0.00060 0.00776 103 2PZ -0.04740 0.01668 -0.03849 -0.00509 -0.00183 104 3S -0.02309 0.01138 0.01445 0.00045 0.00214 105 3PX 0.01927 -0.01808 -0.05878 -0.00192 0.00500 106 3PY 0.02997 -0.00654 -0.02249 -0.00054 0.00436 107 3PZ -0.04331 0.01124 -0.03033 -0.00307 -0.00150 108 4XX 0.00030 -0.00052 0.00084 -0.00006 -0.00012 109 4YY 0.00321 -0.00192 -0.00266 0.00014 0.00033 110 4ZZ -0.00062 0.00052 -0.00031 -0.00008 -0.00013 111 4XY -0.00023 -0.00340 -0.00166 -0.00020 0.00027 112 4XZ 0.00001 0.00016 -0.00006 -0.00004 0.00006 113 4YZ 0.00070 0.00128 -0.00210 -0.00034 -0.00001 114 12 O 1S -0.00179 -0.00302 0.00215 0.00020 0.00018 115 2S 0.00376 0.00952 -0.00319 -0.00040 -0.00022 116 2PX -0.00849 0.10152 -0.01074 -0.00015 0.00025 117 2PY 0.00109 -0.03501 -0.00672 0.00028 0.00030 118 2PZ -0.04437 -0.04145 -0.02304 0.00251 -0.00011 119 3S -0.00309 0.01524 -0.00381 -0.00105 0.00028 120 3PX -0.00974 0.07286 -0.00780 -0.00005 0.00014 121 3PY 0.00193 -0.02165 -0.00464 0.00037 -0.00001 122 3PZ -0.03206 -0.02914 -0.01950 0.00202 -0.00002 123 4XX 0.00061 -0.00064 -0.00006 0.00002 0.00000 124 4YY 0.00025 0.00100 0.00049 0.00004 -0.00004 125 4ZZ -0.00010 -0.00102 -0.00043 0.00003 0.00000 126 4XY 0.00031 -0.00377 0.00054 -0.00002 -0.00003 127 4XZ -0.00025 0.00044 -0.00026 -0.00002 0.00001 128 4YZ 0.00209 0.00124 0.00068 -0.00008 0.00003 129 13 C 1S 0.00214 -0.00408 0.00083 -0.00105 -0.00018 130 2S -0.00357 0.01196 0.00779 0.00174 -0.00109 131 2PX -0.05487 -0.00248 -0.07719 -0.00071 0.00191 132 2PY 0.00742 0.01152 0.01177 0.00089 -0.00182 133 2PZ -0.07226 0.01414 -0.06000 -0.00358 0.00143 134 3S -0.00432 0.01641 0.00596 0.00293 -0.00112 135 3PX -0.03930 0.00220 -0.05621 -0.00136 0.00130 136 3PY -0.00559 0.01046 -0.00928 0.00047 -0.00007 137 3PZ -0.04660 0.00819 -0.03786 -0.00205 0.00093 138 4XX 0.00214 -0.00189 0.00262 -0.00025 0.00004 139 4YY -0.00315 0.00057 -0.00280 0.00007 0.00007 140 4ZZ 0.00258 0.00013 0.00123 0.00008 -0.00005 141 4XY -0.00052 -0.00067 -0.00123 0.00005 0.00002 142 4XZ 0.00385 -0.00166 0.00339 -0.00027 0.00000 143 4YZ -0.00098 -0.00003 -0.00022 -0.00006 -0.00006 144 14 C 1S 0.00867 0.00117 -0.00058 -0.00091 -0.00016 145 2S -0.00980 0.00306 -0.00749 0.00150 0.00012 146 2PX 0.00131 -0.01358 0.01575 -0.00554 0.00147 147 2PY 0.00309 0.00279 -0.00400 -0.00034 0.00009 148 2PZ 0.00314 -0.01752 -0.00987 -0.00389 0.00121 149 3S 0.01149 -0.00141 0.01862 0.00029 -0.00011 150 3PX -0.00081 -0.00871 0.00229 -0.00316 0.00099 151 3PY 0.00869 0.00253 0.00490 -0.00006 -0.00021 152 3PZ 0.00929 -0.01568 0.00777 -0.00326 0.00075 153 4XX 0.00319 -0.00001 0.00360 0.00012 -0.00011 154 4YY -0.00141 -0.00013 -0.00068 -0.00002 0.00007 155 4ZZ -0.00265 0.00023 -0.00232 -0.00012 0.00005 156 4XY 0.00298 -0.00091 0.00178 -0.00009 0.00001 157 4XZ 0.00231 -0.00052 0.00091 -0.00009 0.00003 158 4YZ 0.00244 -0.00075 0.00340 -0.00009 -0.00002 159 15 C 1S -0.00044 -0.00045 0.00299 -0.00022 -0.00016 160 2S -0.00587 -0.00025 -0.00258 0.00033 0.00019 161 2PX 0.05450 -0.01170 0.04042 -0.00326 0.00046 162 2PY 0.00408 -0.00192 0.00937 -0.00019 -0.00032 163 2PZ 0.04383 -0.01988 0.05284 -0.00309 0.00073 164 3S -0.01079 -0.01093 -0.01192 -0.00025 0.00027 165 3PX 0.04502 -0.00701 0.03911 -0.00215 0.00043 166 3PY 0.00868 0.00146 0.00946 -0.00016 -0.00010 167 3PZ 0.03638 -0.01623 0.03657 -0.00208 0.00027 168 4XX -0.00066 -0.00048 -0.00080 -0.00001 -0.00001 169 4YY -0.00006 0.00066 -0.00041 0.00005 -0.00002 170 4ZZ 0.00059 0.00000 0.00038 -0.00001 0.00000 171 4XY 0.00019 0.00071 -0.00079 0.00022 -0.00006 172 4XZ 0.00130 0.00017 0.00105 -0.00007 0.00003 173 4YZ 0.00026 0.00086 0.00102 0.00015 -0.00003 174 16 C 1S 0.00828 0.00116 0.00706 -0.00030 0.00008 175 2S -0.02023 -0.00858 -0.02279 0.00071 -0.00004 176 2PX 0.01785 0.00607 0.03727 0.00033 -0.00010 177 2PY 0.01730 0.01190 0.01643 -0.00050 -0.00007 178 2PZ 0.02271 0.00137 0.00765 0.00042 -0.00024 179 3S -0.02537 -0.00052 -0.03115 0.00082 0.00020 180 3PX 0.02736 0.00683 0.04063 0.00024 0.00010 181 3PY 0.00766 -0.00961 0.00803 -0.00046 -0.00049 182 3PZ 0.01665 -0.00028 0.00951 0.00030 0.00001 183 4XX 0.00381 -0.00158 0.00426 -0.00024 0.00005 184 4YY -0.00131 0.00144 -0.00149 0.00010 -0.00011 185 4ZZ -0.00021 -0.00016 -0.00033 0.00007 0.00001 186 4XY 0.00032 0.00032 0.00002 -0.00003 0.00000 187 4XZ 0.00373 -0.00107 0.00348 -0.00016 0.00006 188 4YZ 0.00051 0.00082 0.00073 0.00000 0.00002 189 17 H 1S -0.01529 0.00150 -0.01249 -0.00008 0.00083 190 2S -0.02283 0.00305 -0.03405 -0.00060 0.00160 191 18 H 1S -0.00697 0.00231 0.00926 0.00012 0.00001 192 2S -0.00246 0.00133 0.01124 -0.00015 -0.00020 193 19 H 1S 0.00146 0.00117 -0.00573 0.00014 -0.00018 194 2S -0.00315 -0.00042 -0.01038 0.00032 -0.00030 195 20 H 1S 0.00045 0.00771 -0.00427 0.00020 -0.00017 196 2S 0.00067 0.02242 0.00057 0.00048 -0.00002 197 21 C 1S 0.00606 -0.00167 0.00794 -0.00047 0.00018 198 2S -0.01874 0.00557 -0.01784 0.00058 -0.00077 199 2PX 0.01111 -0.00422 0.01176 0.00013 0.00050 200 2PY 0.01022 -0.02096 -0.01270 0.00098 0.00062 201 2PZ 0.02986 -0.00885 0.02302 -0.00064 0.00122 202 3S -0.01454 -0.00247 -0.01288 0.00049 -0.00118 203 3PX 0.00280 -0.00718 0.00141 -0.00013 0.00003 204 3PY 0.00430 -0.00883 -0.00174 0.00066 0.00022 205 3PZ -0.00127 0.00305 -0.00671 0.00104 0.00046 206 4XX -0.00016 -0.00040 -0.00039 -0.00007 0.00004 207 4YY -0.00193 0.00049 -0.00207 0.00004 -0.00001 208 4ZZ 0.00224 -0.00067 0.00243 0.00010 -0.00003 209 4XY 0.00249 -0.00041 0.00297 0.00009 -0.00004 210 4XZ 0.00382 -0.00058 0.00407 -0.00007 0.00006 211 4YZ 0.00177 0.00122 0.00294 0.00005 -0.00009 212 22 H 1S -0.01046 0.00295 -0.01267 -0.00019 -0.00026 213 2S -0.00733 -0.00176 -0.01143 -0.00092 -0.00009 214 23 H 1S 0.02352 -0.00640 0.02236 -0.00009 0.00047 215 2S 0.04530 -0.01117 0.04695 -0.00086 0.00056 61 62 63 64 65 61 4ZZ 0.00083 62 4XY -0.00024 0.00099 63 4XZ -0.00012 -0.00009 0.00067 64 4YZ 0.00025 -0.00037 -0.00030 0.00118 65 7 H 1S 0.00628 -0.00624 -0.00724 0.01140 0.21485 66 2S 0.00631 -0.00621 -0.00437 0.00923 0.15501 67 8 C 1S 0.00232 0.00037 -0.00067 0.00047 0.01197 68 2S -0.00554 -0.00087 0.00140 -0.00069 -0.02568 69 2PX 0.00072 0.01257 -0.00142 0.00004 -0.00897 70 2PY 0.00970 0.00226 -0.00213 -0.00074 0.03919 71 2PZ -0.00020 0.00001 -0.00133 0.01332 0.01495 72 3S -0.00403 -0.00039 0.00254 0.00015 -0.04656 73 3PX 0.00003 0.00739 -0.00123 0.00202 -0.00112 74 3PY 0.00266 0.00127 -0.00166 0.00061 0.01778 75 3PZ 0.00024 0.00220 -0.00154 0.00763 0.01129 76 4XX 0.00025 -0.00015 -0.00002 0.00007 0.00126 77 4YY -0.00026 0.00000 -0.00016 0.00009 0.00198 78 4ZZ 0.00037 0.00034 -0.00006 -0.00015 0.00068 79 4XY -0.00034 0.00044 -0.00007 -0.00058 -0.00470 80 4XZ -0.00006 0.00007 -0.00001 0.00019 0.00025 81 4YZ 0.00015 -0.00058 -0.00019 0.00075 0.00775 82 9 H 1S 0.00068 0.00470 0.00025 -0.00775 -0.02269 83 2S 0.00097 0.00490 -0.00013 -0.00713 -0.02486 84 10 C 1S -0.00047 0.00161 -0.00006 -0.00117 -0.00725 85 2S 0.00129 -0.00339 0.00011 0.00241 0.01682 86 2PX 0.00130 -0.00429 -0.00058 0.00579 0.02828 87 2PY -0.00002 0.00438 0.00006 -0.00215 -0.01601 88 2PZ -0.00051 0.00538 -0.00088 -0.00015 -0.00893 89 3S 0.00183 -0.00376 -0.00011 0.00335 0.03884 90 3PX 0.00086 -0.00043 -0.00045 0.00175 0.01629 91 3PY 0.00099 0.00174 -0.00025 -0.00079 -0.00020 92 3PZ -0.00041 0.00129 -0.00037 0.00060 -0.00424 93 4XX 0.00008 0.00027 -0.00009 0.00026 0.00110 94 4YY -0.00027 0.00000 0.00013 -0.00013 -0.00238 95 4ZZ 0.00007 -0.00001 -0.00001 -0.00034 -0.00005 96 4XY -0.00002 0.00032 0.00001 -0.00047 -0.00076 97 4XZ -0.00002 0.00009 -0.00003 0.00022 0.00023 98 4YZ -0.00012 -0.00054 0.00016 -0.00014 -0.00039 99 11 O 1S -0.00001 -0.00036 -0.00003 0.00031 0.00322 100 2S 0.00052 0.00070 0.00048 -0.00048 -0.00599 101 2PX 0.00172 -0.00023 -0.00141 -0.00350 -0.00371 102 2PY -0.00118 0.00542 0.00378 -0.00246 -0.01751 103 2PZ 0.00402 -0.00427 -0.00402 -0.00353 0.02492 104 3S -0.00076 -0.00102 0.00012 -0.00050 -0.02191 105 3PX 0.00112 -0.00089 -0.00072 -0.00191 -0.00066 106 3PY -0.00114 0.00280 0.00224 -0.00141 -0.01529 107 3PZ 0.00218 -0.00270 -0.00279 -0.00246 0.01723 108 4XX 0.00008 -0.00007 -0.00001 0.00006 0.00098 109 4YY -0.00005 0.00050 0.00012 -0.00017 -0.00053 110 4ZZ 0.00011 -0.00016 -0.00003 0.00009 0.00148 111 4XY 0.00004 0.00020 -0.00016 -0.00037 -0.00128 112 4XZ 0.00001 -0.00001 0.00001 -0.00008 -0.00073 113 4YZ 0.00037 -0.00033 -0.00019 -0.00016 0.00166 114 12 O 1S 0.00016 0.00000 -0.00008 0.00000 0.00150 115 2S -0.00012 0.00026 0.00023 0.00002 -0.00266 116 2PX -0.00210 0.00139 0.00070 -0.00332 -0.01786 117 2PY -0.00015 -0.00162 -0.00032 0.00047 0.00895 118 2PZ 0.00030 -0.00301 0.00124 -0.00143 -0.00176 119 3S -0.00169 -0.00074 0.00032 0.00023 -0.01184 120 3PX -0.00182 0.00115 0.00064 -0.00295 -0.01733 121 3PY 0.00033 -0.00073 -0.00019 0.00017 0.00826 122 3PZ 0.00023 -0.00275 0.00103 -0.00121 -0.00040 123 4XX 0.00005 0.00006 -0.00002 0.00002 0.00060 124 4YY 0.00011 0.00006 0.00001 -0.00001 0.00020 125 4ZZ 0.00005 0.00001 0.00001 -0.00005 0.00033 126 4XY 0.00004 0.00005 -0.00001 -0.00001 0.00003 127 4XZ -0.00003 -0.00001 0.00001 0.00002 -0.00005 128 4YZ 0.00001 -0.00003 -0.00003 0.00007 0.00035 129 13 C 1S -0.00061 0.00072 -0.00107 0.00083 0.00454 130 2S 0.00031 -0.00165 0.00311 -0.00180 -0.01158 131 2PX -0.00310 0.00283 -0.00443 0.00284 0.00920 132 2PY 0.00148 0.00076 0.00126 0.00050 0.00213 133 2PZ 0.00071 0.00181 -0.00248 0.00250 0.02062 134 3S -0.00104 -0.00142 0.00442 -0.00285 -0.02325 135 3PX -0.00190 0.00243 -0.00321 0.00372 0.01705 136 3PY -0.00048 0.00020 0.00073 -0.00009 -0.00468 137 3PZ -0.00023 0.00165 -0.00197 0.00144 0.00976 138 4XX 0.00002 0.00033 -0.00031 0.00019 0.00033 139 4YY 0.00002 -0.00009 0.00011 -0.00011 -0.00073 140 4ZZ 0.00004 -0.00013 0.00001 0.00006 0.00131 141 4XY -0.00005 -0.00001 -0.00011 -0.00003 0.00029 142 4XZ 0.00009 0.00015 -0.00016 0.00021 0.00186 143 4YZ 0.00012 0.00003 -0.00005 0.00004 0.00093 144 14 C 1S 0.00017 -0.00022 0.00032 0.00031 0.00212 145 2S -0.00108 0.00042 -0.00035 -0.00050 -0.00922 146 2PX 0.00185 0.00297 -0.00325 0.00325 0.02167 147 2PY 0.00068 -0.00030 -0.00003 -0.00017 0.00236 148 2PZ -0.00023 0.00375 -0.00363 0.00374 0.01494 149 3S 0.00062 -0.00085 -0.00029 -0.00081 -0.00229 150 3PX 0.00019 0.00313 -0.00226 0.00262 0.01022 151 3PY 0.00084 -0.00100 0.00057 -0.00002 0.00446 152 3PZ 0.00071 0.00256 -0.00257 0.00245 0.01230 153 4XX 0.00006 -0.00008 0.00023 -0.00011 -0.00079 154 4YY -0.00001 -0.00001 -0.00004 -0.00006 -0.00044 155 4ZZ 0.00000 0.00009 -0.00012 0.00007 0.00073 156 4XY 0.00002 -0.00004 0.00001 -0.00002 -0.00010 157 4XZ 0.00002 -0.00001 -0.00004 0.00008 0.00089 158 4YZ 0.00016 -0.00006 0.00002 -0.00002 0.00038 159 15 C 1S -0.00023 0.00007 0.00017 0.00003 0.00016 160 2S 0.00020 -0.00075 -0.00020 -0.00020 0.00034 161 2PX 0.00164 0.00012 -0.00011 0.00041 0.00324 162 2PY 0.00009 -0.00047 0.00043 0.00021 0.00188 163 2PZ 0.00199 -0.00089 -0.00065 0.00002 0.00629 164 3S -0.00043 0.00097 -0.00183 0.00097 0.00471 165 3PX 0.00152 -0.00071 0.00059 0.00009 0.00227 166 3PY 0.00042 -0.00106 0.00056 0.00011 0.00306 167 3PZ 0.00128 0.00008 -0.00065 0.00076 0.00661 168 4XX -0.00002 0.00021 -0.00006 0.00023 0.00074 169 4YY -0.00004 -0.00005 0.00002 -0.00004 -0.00036 170 4ZZ 0.00005 -0.00017 0.00006 -0.00015 -0.00004 171 4XY -0.00005 -0.00014 0.00017 -0.00015 -0.00096 172 4XZ -0.00003 0.00010 -0.00003 0.00004 -0.00003 173 4YZ 0.00000 -0.00024 0.00017 -0.00022 -0.00088 174 16 C 1S -0.00017 -0.00035 0.00011 -0.00041 -0.00158 175 2S 0.00036 0.00037 -0.00032 0.00049 0.00449 176 2PX 0.00065 -0.00478 0.00159 -0.00437 -0.01094 177 2PY -0.00033 -0.00108 0.00031 -0.00093 -0.00486 178 2PZ 0.00098 -0.00404 0.00206 -0.00447 -0.01167 179 3S 0.00037 -0.00045 0.00022 0.00088 0.00849 180 3PX 0.00047 -0.00315 0.00233 -0.00400 -0.01954 181 3PY 0.00053 0.00040 -0.00099 0.00043 0.00611 182 3PZ 0.00063 -0.00310 0.00139 -0.00262 -0.00675 183 4XX 0.00011 0.00004 -0.00009 0.00019 0.00074 184 4YY 0.00006 -0.00012 0.00013 -0.00012 -0.00014 185 4ZZ -0.00013 0.00016 -0.00008 -0.00001 -0.00037 186 4XY -0.00001 0.00004 0.00007 0.00007 -0.00019 187 4XZ 0.00002 0.00021 -0.00005 0.00014 0.00003 188 4YZ -0.00005 0.00001 0.00004 0.00002 -0.00042 189 17 H 1S -0.00048 -0.00119 0.00063 -0.00105 -0.00481 190 2S -0.00074 -0.00106 -0.00046 -0.00037 -0.00047 191 18 H 1S 0.00031 -0.00007 0.00013 -0.00036 -0.00175 192 2S 0.00099 -0.00065 0.00040 -0.00025 0.00356 193 19 H 1S -0.00009 0.00003 0.00021 0.00022 -0.00021 194 2S -0.00030 0.00070 -0.00005 0.00025 -0.00080 195 20 H 1S 0.00003 -0.00084 0.00049 -0.00086 -0.00282 196 2S -0.00057 -0.00134 0.00148 -0.00220 -0.01312 197 21 C 1S -0.00069 0.00023 -0.00040 0.00004 -0.00113 198 2S 0.00105 -0.00042 0.00095 -0.00037 0.00335 199 2PX -0.00155 0.00072 -0.00112 -0.00023 -0.00228 200 2PY -0.00108 -0.00005 -0.00091 -0.00082 -0.00511 201 2PZ -0.00249 0.00037 -0.00242 0.00034 -0.00298 202 3S 0.00153 -0.00007 0.00021 0.00004 0.00877 203 3PX -0.00007 0.00020 -0.00139 -0.00020 0.00704 204 3PY -0.00085 0.00042 -0.00012 -0.00117 -0.00947 205 3PZ -0.00175 -0.00072 -0.00041 -0.00074 -0.00308 206 4XX -0.00001 -0.00003 -0.00013 0.00001 0.00042 207 4YY 0.00007 -0.00012 0.00007 -0.00011 0.00038 208 4ZZ -0.00009 0.00012 0.00000 0.00008 -0.00044 209 4XY 0.00006 -0.00019 0.00014 -0.00027 -0.00122 210 4XZ -0.00016 0.00015 -0.00008 0.00009 -0.00082 211 4YZ 0.00007 -0.00016 0.00020 -0.00017 -0.00082 212 22 H 1S 0.00093 -0.00063 0.00017 0.00000 0.00340 213 2S 0.00136 -0.00053 -0.00085 0.00012 0.00972 214 23 H 1S -0.00158 0.00088 -0.00122 0.00040 -0.00370 215 2S -0.00141 0.00200 -0.00104 0.00148 -0.00752 66 67 68 69 70 66 2S 0.13494 67 8 C 1S 0.01510 2.05570 68 2S -0.02813 -0.05924 0.31847 69 2PX -0.02641 0.00145 -0.00603 0.36791 70 2PY 0.06258 -0.00313 -0.00004 -0.00064 0.42070 71 2PZ 0.02568 0.00509 -0.01187 -0.04034 -0.01215 72 3S -0.02069 -0.23487 0.34193 -0.02016 0.08049 73 3PX -0.01049 0.00487 0.00053 0.20172 -0.00184 74 3PY 0.01262 0.00428 0.00180 0.01374 0.12904 75 3PZ 0.01515 -0.01642 0.00749 0.03534 0.01924 76 4XX 0.00231 -0.01342 -0.00942 -0.00694 0.00696 77 4YY -0.00081 -0.01639 -0.00198 0.00184 -0.01326 78 4ZZ 0.00097 -0.01493 -0.00559 0.00818 0.01015 79 4XY -0.00490 0.00011 -0.00025 0.00529 -0.00320 80 4XZ -0.00013 0.00417 -0.00847 0.00180 -0.00834 81 4YZ 0.00713 0.00260 -0.00512 -0.01088 -0.00333 82 9 H 1S -0.02486 -0.06124 0.11770 0.12226 0.13332 83 2S -0.02733 -0.01187 0.02691 0.10879 0.09887 84 10 C 1S -0.01020 0.01410 -0.02937 0.05421 -0.03584 85 2S 0.02150 -0.02990 0.05355 -0.11390 0.08053 86 2PX 0.04407 -0.05447 0.10874 -0.12922 0.12702 87 2PY -0.02424 0.03296 -0.05774 0.12235 -0.06354 88 2PZ -0.01716 0.03101 -0.06074 0.15352 -0.06394 89 3S 0.03596 0.01361 0.00612 -0.10632 0.06223 90 3PX 0.01921 0.00831 0.00204 0.00043 0.01552 91 3PY 0.00009 -0.01167 -0.00243 0.04375 0.02768 92 3PZ -0.00688 -0.00553 0.00370 0.03084 -0.00489 93 4XX 0.00110 -0.00335 0.00494 0.00727 0.00795 94 4YY -0.00297 0.00102 -0.00259 0.00115 -0.01302 95 4ZZ 0.00016 -0.00038 -0.00066 0.00048 0.00147 96 4XY -0.00235 0.00616 -0.01145 0.00962 -0.00448 97 4XZ -0.00010 0.00314 -0.00548 0.00265 -0.00533 98 4YZ 0.00064 -0.00441 0.00839 -0.01350 0.00320 99 11 O 1S -0.00374 0.00112 -0.00269 0.00134 0.00581 100 2S 0.00644 -0.00244 0.00561 -0.00155 -0.01228 101 2PX 0.03611 -0.00875 0.01347 -0.01938 -0.04402 102 2PY -0.04848 -0.00730 0.01951 0.00014 -0.03258 103 2PZ -0.02442 0.00893 -0.01485 -0.04296 0.00419 104 3S 0.00405 -0.00776 0.01514 -0.01519 -0.04220 105 3PX 0.03033 -0.00629 0.01109 -0.02014 -0.03629 106 3PY -0.03147 -0.00507 0.01375 -0.00266 -0.02808 107 3PZ -0.01855 0.00720 -0.01269 -0.03288 0.00289 108 4XX 0.00100 0.00016 -0.00068 0.00101 0.00181 109 4YY -0.00280 0.00018 -0.00001 0.00067 0.00068 110 4ZZ 0.00123 0.00014 -0.00062 0.00012 0.00110 111 4XY -0.00069 0.00005 -0.00014 -0.00073 -0.00054 112 4XZ -0.00057 -0.00019 0.00035 -0.00026 -0.00081 113 4YZ -0.00003 0.00012 -0.00013 -0.00159 -0.00025 114 12 O 1S 0.00197 -0.00282 0.00538 -0.00269 0.01047 115 2S -0.00367 0.00573 -0.01244 0.00991 -0.02305 116 2PX -0.02953 0.02875 -0.04842 0.03561 -0.06770 117 2PY 0.01437 -0.01286 0.02094 -0.03200 0.03673 118 2PZ 0.00710 -0.01870 0.03915 -0.05631 0.03709 119 3S -0.00992 0.01054 -0.00577 -0.00905 -0.06021 120 3PX -0.02632 0.02226 -0.04014 0.02835 -0.05880 121 3PY 0.01030 -0.00754 0.00936 -0.01419 0.03124 122 3PZ 0.00668 -0.01415 0.03116 -0.05524 0.03008 123 4XX 0.00046 -0.00073 0.00007 0.00144 0.00219 124 4YY -0.00006 -0.00002 -0.00077 0.00027 0.00142 125 4ZZ 0.00030 -0.00080 -0.00001 0.00054 0.00128 126 4XY 0.00009 0.00012 -0.00047 0.00192 -0.00084 127 4XZ -0.00013 0.00003 -0.00022 -0.00008 -0.00114 128 4YZ 0.00021 -0.00014 -0.00014 -0.00204 0.00025 129 13 C 1S 0.00361 -0.00138 0.00253 0.00949 -0.00180 130 2S -0.00775 0.00437 -0.00366 -0.02429 0.00626 131 2PX -0.00274 -0.00315 0.00497 0.02520 -0.01756 132 2PY 0.00487 0.00497 -0.00682 -0.01736 0.01273 133 2PZ 0.02496 -0.00052 0.00329 0.01188 -0.01603 134 3S -0.02170 -0.00204 -0.00498 -0.02385 -0.00560 135 3PX 0.00906 -0.00196 0.00329 0.03415 -0.02262 136 3PY -0.00254 -0.00255 -0.00104 -0.00745 -0.01962 137 3PZ 0.00713 -0.00021 0.00214 0.01414 -0.01360 138 4XX -0.00076 -0.00061 0.00105 0.00574 0.00133 139 4YY 0.00007 0.00000 -0.00032 -0.00179 -0.00057 140 4ZZ 0.00150 0.00029 -0.00014 -0.00093 0.00060 141 4XY -0.00016 0.00031 -0.00029 -0.00060 0.00101 142 4XZ 0.00083 -0.00050 0.00081 0.00515 0.00091 143 4YZ 0.00113 0.00040 -0.00049 -0.00108 0.00134 144 14 C 1S 0.00231 -0.00065 0.00016 0.00211 -0.00050 145 2S -0.00892 0.00087 -0.00050 -0.00557 -0.00086 146 2PX 0.01856 -0.00838 0.01597 0.06593 0.00321 147 2PY -0.00046 0.00159 -0.00077 -0.00743 0.00036 148 2PZ -0.00587 -0.00802 0.01638 0.06825 0.00707 149 3S -0.00158 0.00403 0.00223 -0.01990 0.01251 150 3PX 0.00361 -0.00828 0.01167 0.06369 -0.00182 151 3PY 0.00610 0.00290 -0.00108 -0.01666 0.00366 152 3PZ 0.00099 -0.00469 0.01116 0.05173 0.01246 153 4XX -0.00053 -0.00008 -0.00003 -0.00023 0.00097 154 4YY -0.00019 -0.00008 0.00007 -0.00072 -0.00053 155 4ZZ 0.00068 -0.00022 0.00024 0.00043 -0.00044 156 4XY -0.00090 -0.00031 0.00080 0.00067 0.00068 157 4XZ 0.00043 -0.00026 0.00049 0.00187 -0.00021 158 4YZ 0.00059 -0.00020 0.00046 -0.00069 0.00115 159 15 C 1S 0.00039 -0.00144 0.00204 0.00497 0.00109 160 2S 0.00086 0.00344 -0.00522 -0.02040 -0.00484 161 2PX -0.00562 -0.00841 0.01939 0.01890 0.01022 162 2PY 0.00394 0.00051 -0.00238 -0.00523 -0.00224 163 2PZ -0.00037 -0.00666 0.01539 -0.00176 0.00986 164 3S -0.00011 -0.00475 -0.00232 0.01647 0.00697 165 3PX -0.00139 -0.00385 0.01480 0.00361 0.00363 166 3PY 0.00489 0.00047 0.00202 -0.01714 -0.00203 167 3PZ 0.00044 -0.00685 0.01175 0.01415 0.01546 168 4XX 0.00083 -0.00048 0.00017 0.00460 0.00072 169 4YY -0.00052 0.00006 -0.00027 -0.00185 -0.00052 170 4ZZ -0.00005 -0.00002 -0.00003 -0.00330 -0.00034 171 4XY -0.00074 0.00032 -0.00069 -0.00322 -0.00038 172 4XZ -0.00021 -0.00047 0.00112 0.00314 0.00019 173 4YZ -0.00007 0.00050 -0.00061 -0.00407 -0.00096 174 16 C 1S -0.00255 -0.00219 0.00203 -0.00550 0.00058 175 2S 0.00427 0.00171 -0.01398 0.00685 -0.00215 176 2PX -0.00741 0.00623 -0.00577 -0.09400 -0.01782 177 2PY -0.00757 0.00161 0.00146 -0.01402 -0.01101 178 2PZ -0.01515 0.00550 -0.00901 -0.07591 -0.01524 179 3S 0.01079 0.01599 -0.01073 -0.00312 -0.01239 180 3PX -0.01495 -0.00175 0.00447 -0.05779 -0.01569 181 3PY 0.00418 -0.00381 -0.00250 0.00800 0.01863 182 3PZ -0.00641 -0.00314 0.00128 -0.05632 -0.00853 183 4XX 0.00049 -0.00129 0.00225 0.00173 0.00209 184 4YY -0.00004 0.00043 -0.00208 -0.00353 -0.00136 185 4ZZ -0.00034 -0.00073 0.00042 0.00380 0.00071 186 4XY -0.00006 -0.00010 0.00034 0.00145 -0.00104 187 4XZ -0.00019 -0.00116 0.00307 0.00573 0.00240 188 4YZ -0.00040 0.00010 0.00021 0.00087 -0.00149 189 17 H 1S -0.00254 -0.00110 0.00190 -0.00345 -0.00941 190 2S 0.00457 -0.00273 0.00247 -0.00405 -0.02681 191 18 H 1S 0.00671 0.00034 -0.00080 -0.00396 -0.00080 192 2S 0.01215 0.00157 -0.00211 -0.01268 0.00353 193 19 H 1S -0.00089 0.00115 -0.00235 -0.00183 -0.00174 194 2S -0.00265 0.00003 -0.00301 0.00836 0.00292 195 20 H 1S -0.00468 0.00398 -0.00764 -0.01417 -0.01225 196 2S -0.01380 0.00633 -0.00763 -0.02579 -0.02883 197 21 C 1S -0.00241 -0.00249 0.00412 0.00644 -0.00119 198 2S 0.00805 0.00450 -0.01055 -0.01937 0.00279 199 2PX -0.00252 -0.00323 0.00794 0.00634 0.00064 200 2PY -0.01354 -0.00092 -0.00548 0.01019 -0.00362 201 2PZ -0.00933 -0.00610 0.01412 0.02266 -0.00489 202 3S 0.01371 0.00837 -0.01591 -0.01500 0.02179 203 3PX 0.00571 -0.00299 0.00317 -0.00043 0.01578 204 3PY -0.01513 -0.00112 -0.00344 0.00945 -0.00223 205 3PZ -0.00550 -0.00300 0.00400 -0.01009 -0.00988 206 4XX -0.00005 -0.00038 0.00042 -0.00076 0.00002 207 4YY 0.00050 0.00016 -0.00069 -0.00211 -0.00003 208 4ZZ -0.00044 -0.00054 0.00051 0.00273 0.00116 209 4XY -0.00102 0.00015 -0.00035 -0.00275 0.00001 210 4XZ -0.00082 -0.00088 0.00179 0.00433 -0.00033 211 4YZ -0.00042 0.00027 0.00013 -0.00295 0.00032 212 22 H 1S 0.00371 0.00274 -0.00604 -0.01117 -0.00133 213 2S 0.00837 0.00137 -0.00403 -0.00732 0.00679 214 23 H 1S -0.00492 -0.00434 0.00904 0.02163 0.00140 215 2S -0.00937 -0.00624 0.01437 0.05338 0.00332 71 72 73 74 75 71 2PZ 0.37981 72 3S 0.05803 0.55077 73 3PX 0.02939 -0.01593 0.12665 74 3PY 0.01196 -0.01135 0.01126 0.06783 75 3PZ 0.20401 0.07121 0.04359 0.01222 0.13016 76 4XX 0.00255 -0.00827 -0.00319 0.00109 0.00064 77 4YY -0.00063 -0.00616 0.00122 -0.00212 -0.00146 78 4ZZ -0.00506 -0.00366 0.00361 0.00275 -0.00119 79 4XY -0.01098 -0.00171 0.00106 -0.00161 -0.00483 80 4XZ 0.00361 -0.00907 0.00097 -0.00240 0.00178 81 4YZ 0.00928 -0.00632 -0.00448 -0.00137 0.00268 82 9 H 1S -0.19798 0.11828 0.04306 0.03798 -0.07670 83 2S -0.16590 0.00422 0.03775 0.02833 -0.06535 84 10 C 1S -0.03570 0.02047 0.00033 -0.01644 0.00412 85 2S 0.07604 -0.00257 -0.01740 0.02632 0.00531 86 2PX 0.15561 0.15402 -0.06002 0.06616 0.06795 87 2PY -0.06849 -0.11317 0.06879 0.01882 -0.04958 88 2PZ -0.00963 -0.09140 0.08586 -0.03001 -0.00432 89 3S 0.06649 -0.04889 -0.02053 0.01591 0.00172 90 3PX 0.02880 -0.01466 0.00581 0.01071 0.00696 91 3PY -0.02110 0.03226 0.00951 0.00583 0.00581 92 3PZ 0.02275 0.00647 0.01867 0.00173 0.00788 93 4XX 0.00620 0.01427 0.00335 0.00142 0.00731 94 4YY -0.00256 -0.00718 0.00023 -0.00239 -0.00309 95 4ZZ -0.00968 0.00110 -0.00265 -0.00105 -0.00352 96 4XY -0.01227 -0.02904 0.00486 0.00057 -0.00827 97 4XZ 0.00498 -0.00489 0.00182 -0.00105 0.00290 98 4YZ -0.00092 0.01823 -0.00918 -0.00088 -0.00295 99 11 O 1S -0.00050 -0.00207 -0.00179 0.00302 0.00215 100 2S 0.00035 0.01151 0.00376 -0.00952 -0.00319 101 2PX -0.01401 0.11916 -0.00849 -0.10152 -0.01074 102 2PY 0.00567 0.06339 -0.00108 -0.03501 0.00672 103 2PZ -0.02966 -0.07724 -0.04437 0.04145 -0.02304 104 3S 0.00505 0.01117 -0.00309 -0.01524 -0.00381 105 3PX -0.00810 0.08488 -0.00974 -0.07286 -0.00780 106 3PY 0.00590 0.03585 -0.00193 -0.02165 0.00464 107 3PZ -0.02552 -0.06077 -0.03206 0.02914 -0.01950 108 4XX -0.00015 -0.00076 0.00061 0.00064 -0.00006 109 4YY 0.00003 0.00265 0.00025 -0.00100 0.00049 110 4ZZ -0.00069 -0.00197 -0.00010 0.00102 -0.00043 111 4XY -0.00089 0.00452 -0.00031 -0.00377 -0.00054 112 4XZ -0.00026 0.00057 -0.00025 -0.00044 -0.00026 113 4YZ -0.00090 -0.00187 -0.00209 0.00124 -0.00068 114 12 O 1S 0.00110 0.00337 0.00508 0.00052 -0.00420 115 2S -0.00482 -0.02107 -0.00521 0.00472 0.00254 116 2PX -0.06075 -0.28918 0.02728 0.03414 -0.07584 117 2PY 0.01487 0.10735 -0.05634 -0.01946 0.04540 118 2PZ -0.01523 0.15040 -0.04740 -0.01668 -0.03849 119 3S 0.00908 -0.00502 -0.02309 -0.01138 0.01445 120 3PX -0.05468 -0.21149 0.01927 0.01808 -0.05878 121 3PY 0.00269 0.05571 -0.02997 -0.00654 0.02249 122 3PZ -0.01596 0.11143 -0.04331 -0.01124 -0.03033 123 4XX 0.00019 0.00121 0.00030 0.00052 0.00084 124 4YY -0.00038 -0.00603 0.00321 0.00192 -0.00266 125 4ZZ -0.00166 0.00257 -0.00062 -0.00052 -0.00031 126 4XY -0.00157 0.00854 0.00023 -0.00340 0.00166 127 4XZ 0.00063 -0.00084 0.00001 -0.00016 -0.00006 128 4YZ 0.00108 -0.00306 -0.00070 0.00128 0.00210 129 13 C 1S 0.00909 0.00499 0.00828 -0.00116 0.00706 130 2S -0.02179 -0.02606 -0.02024 0.00858 -0.02280 131 2PX 0.02282 0.02359 0.01785 -0.00607 0.03727 132 2PY -0.01634 -0.03920 -0.01730 0.01190 -0.01643 133 2PZ 0.00966 -0.01840 0.02271 -0.00137 0.00765 134 3S -0.03620 -0.03013 -0.02537 0.00051 -0.03115 135 3PX 0.04063 0.01035 0.02736 -0.00683 0.04063 136 3PY -0.00690 -0.01258 -0.00766 -0.00961 -0.00803 137 3PZ 0.00862 -0.01339 0.01665 0.00028 0.00951 138 4XX 0.00424 0.00341 0.00381 0.00158 0.00426 139 4YY -0.00177 -0.00018 -0.00131 -0.00144 -0.00149 140 4ZZ 0.00025 -0.00080 -0.00021 0.00016 -0.00033 141 4XY -0.00046 0.00040 -0.00032 0.00032 -0.00002 142 4XZ 0.00443 0.00209 0.00373 0.00107 0.00348 143 4YZ -0.00110 -0.00129 -0.00051 0.00082 -0.00073 144 14 C 1S 0.00103 0.00336 -0.00044 0.00045 0.00299 145 2S -0.00422 -0.00405 -0.00586 0.00025 -0.00258 146 2PX 0.04620 0.03427 0.05450 0.01170 0.04042 147 2PY -0.00371 -0.01498 -0.00408 -0.00192 -0.00937 148 2PZ 0.04570 0.04233 0.04383 0.01988 0.05284 149 3S -0.00973 -0.00270 -0.01079 0.01093 -0.01192 150 3PX 0.04066 0.02513 0.04502 0.00701 0.03911 151 3PY -0.00389 -0.00926 -0.00868 0.00146 -0.00946 152 3PZ 0.03488 0.03002 0.03638 0.01623 0.03657 153 4XX -0.00056 -0.00038 -0.00066 0.00048 -0.00080 154 4YY -0.00006 0.00034 -0.00006 -0.00066 -0.00041 155 4ZZ -0.00012 -0.00003 0.00059 0.00000 0.00038 156 4XY 0.00004 0.00255 -0.00019 0.00071 0.00079 157 4XZ 0.00133 0.00121 0.00130 -0.00017 0.00105 158 4YZ -0.00076 0.00131 -0.00026 0.00086 -0.00102 159 15 C 1S -0.00045 0.00163 0.00867 -0.00117 -0.00058 160 2S 0.00009 -0.01160 -0.00980 -0.00306 -0.00749 161 2PX -0.00010 0.04472 0.00131 0.01358 0.01575 162 2PY 0.00198 0.00485 -0.00309 0.00279 0.00400 163 2PZ -0.00745 0.04558 0.00315 0.01752 -0.00987 164 3S 0.01960 0.01242 0.01149 0.00140 0.01862 165 3PX 0.00093 0.02823 -0.00081 0.00871 0.00229 166 3PY 0.00012 0.00093 -0.00869 0.00253 -0.00490 167 3PZ 0.00809 0.03700 0.00929 0.01568 0.00777 168 4XX 0.00457 0.00094 0.00319 0.00001 0.00360 169 4YY -0.00067 -0.00131 -0.00141 0.00013 -0.00068 170 4ZZ -0.00339 0.00041 -0.00265 -0.00023 -0.00232 171 4XY -0.00259 -0.00141 -0.00298 -0.00091 -0.00178 172 4XZ 0.00085 0.00068 0.00231 0.00052 0.00091 173 4YZ -0.00285 -0.00173 -0.00244 -0.00075 -0.00340 174 16 C 1S -0.00731 0.01382 0.00214 0.00408 0.00083 175 2S 0.01154 0.00283 -0.00357 -0.01196 0.00779 176 2PX -0.08418 -0.01791 -0.05487 0.00248 -0.07719 177 2PY -0.01057 -0.01923 -0.00742 0.01152 -0.01177 178 2PZ -0.09388 0.00294 -0.07226 -0.01413 -0.06000 179 3S 0.01790 -0.00436 -0.00432 -0.01641 0.00596 180 3PX -0.06835 -0.00234 -0.03930 -0.00220 -0.05621 181 3PY 0.00622 0.00873 0.00559 0.01047 0.00928 182 3PZ -0.05215 0.01416 -0.04660 -0.00819 -0.03786 183 4XX 0.00414 0.00430 0.00214 0.00189 0.00262 184 4YY -0.00324 -0.00466 -0.00315 -0.00057 -0.00280 185 4ZZ 0.00031 0.00026 0.00258 -0.00013 0.00123 186 4XY 0.00123 0.00070 0.00052 -0.00067 0.00123 187 4XZ 0.00370 0.00475 0.00385 0.00166 0.00339 188 4YZ 0.00138 -0.00120 0.00098 -0.00003 0.00022 189 17 H 1S -0.00332 0.00777 0.00045 -0.00771 -0.00427 190 2S 0.00272 0.01581 0.00067 -0.02242 0.00057 191 18 H 1S -0.00263 -0.00254 0.00146 -0.00117 -0.00573 192 2S -0.00576 -0.00510 -0.00315 0.00042 -0.01038 193 19 H 1S 0.00329 -0.00166 -0.00697 -0.00231 0.00926 194 2S 0.00051 0.00011 -0.00246 -0.00133 0.01124 195 20 H 1S -0.01428 -0.01878 -0.01529 -0.00150 -0.01249 196 2S -0.03793 -0.04505 -0.02283 -0.00305 -0.03405 197 21 C 1S 0.00897 0.00984 0.00606 0.00167 0.00794 198 2S -0.02618 -0.02012 -0.01874 -0.00556 -0.01784 199 2PX 0.01441 0.01281 0.01111 0.00422 0.01176 200 2PY -0.00479 0.04203 -0.01022 -0.02095 0.01270 201 2PZ 0.02855 0.02887 0.02986 0.00885 0.02302 202 3S -0.02516 -0.01773 -0.01454 0.00247 -0.01288 203 3PX -0.00254 0.00641 0.00280 0.00718 0.00141 204 3PY -0.01222 0.01403 -0.00430 -0.00883 0.00174 205 3PZ -0.00550 -0.00078 -0.00128 -0.00305 -0.00671 206 4XX -0.00085 0.00093 -0.00016 0.00040 -0.00039 207 4YY -0.00291 -0.00145 -0.00193 -0.00049 -0.00207 208 4ZZ 0.00379 0.00101 0.00224 0.00067 0.00243 209 4XY -0.00375 0.00051 -0.00249 -0.00041 -0.00297 210 4XZ 0.00582 0.00285 0.00382 0.00058 0.00407 211 4YZ -0.00285 -0.00250 -0.00177 0.00122 -0.00294 212 22 H 1S -0.01883 -0.00997 -0.01046 -0.00295 -0.01267 213 2S -0.02273 -0.00351 -0.00733 0.00176 -0.01143 214 23 H 1S 0.02960 0.01795 0.02352 0.00640 0.02236 215 2S 0.06454 0.03231 0.04530 0.01117 0.04695 76 77 78 79 80 76 4XX 0.00095 77 4YY -0.00022 0.00091 78 4ZZ 0.00022 -0.00017 0.00083 79 4XY -0.00015 0.00001 0.00024 0.00099 80 4XZ 0.00012 0.00031 -0.00012 0.00009 0.00067 81 4YZ 0.00037 0.00011 -0.00025 -0.00037 0.00030 82 9 H 1S -0.00427 -0.00388 0.00628 0.00624 -0.00724 83 2S -0.00150 -0.00311 0.00631 0.00621 -0.00437 84 10 C 1S -0.00327 0.00058 0.00008 0.00438 0.00306 85 2S 0.00582 -0.00251 -0.00132 -0.00858 -0.00632 86 2PX -0.00285 -0.00197 -0.00194 -0.00709 -0.00403 87 2PY -0.00502 0.00972 0.00179 0.00032 0.00652 88 2PZ -0.00416 0.00100 0.00721 0.00649 -0.00090 89 3S 0.00585 -0.00259 -0.00098 -0.00652 -0.00387 90 3PX -0.00135 0.00046 0.00088 -0.00144 -0.00096 91 3PY -0.00146 -0.00088 0.00194 0.00162 0.00053 92 3PZ -0.00264 0.00032 0.00247 0.00174 -0.00120 93 4XX -0.00008 -0.00053 0.00013 0.00011 -0.00011 94 4YY -0.00028 0.00072 -0.00019 0.00008 0.00038 95 4ZZ -0.00012 -0.00025 0.00021 0.00050 -0.00010 96 4XY 0.00005 0.00030 0.00047 0.00044 -0.00003 97 4XZ 0.00000 0.00026 -0.00011 -0.00006 0.00047 98 4YZ -0.00028 -0.00018 -0.00015 0.00016 -0.00031 99 11 O 1S 0.00020 0.00018 0.00016 0.00000 -0.00008 100 2S -0.00040 -0.00022 -0.00012 -0.00026 0.00023 101 2PX -0.00015 0.00025 -0.00210 -0.00139 0.00070 102 2PY -0.00028 -0.00030 0.00015 -0.00162 0.00032 103 2PZ 0.00251 -0.00011 0.00030 0.00301 0.00124 104 3S -0.00105 0.00028 -0.00169 0.00074 0.00032 105 3PX -0.00005 0.00014 -0.00182 -0.00115 0.00064 106 3PY -0.00037 0.00001 -0.00033 -0.00073 0.00019 107 3PZ 0.00202 -0.00002 0.00023 0.00275 0.00103 108 4XX 0.00002 0.00000 0.00005 -0.00006 -0.00002 109 4YY 0.00004 -0.00004 0.00011 -0.00006 0.00001 110 4ZZ 0.00003 0.00000 0.00005 -0.00001 0.00001 111 4XY 0.00002 0.00003 -0.00004 0.00005 0.00001 112 4XZ -0.00002 0.00001 -0.00003 0.00001 0.00001 113 4YZ 0.00008 -0.00003 -0.00001 -0.00003 0.00003 114 12 O 1S -0.00033 -0.00116 -0.00001 0.00036 -0.00003 115 2S 0.00069 0.00262 0.00052 -0.00070 0.00048 116 2PX -0.00318 0.00707 0.00172 0.00023 -0.00141 117 2PY 0.00060 -0.00776 0.00118 0.00542 -0.00378 118 2PZ -0.00509 -0.00183 0.00402 0.00427 -0.00402 119 3S 0.00045 0.00214 -0.00076 0.00102 0.00012 120 3PX -0.00192 0.00500 0.00112 0.00089 -0.00072 121 3PY 0.00055 -0.00436 0.00114 0.00280 -0.00224 122 3PZ -0.00307 -0.00150 0.00218 0.00270 -0.00279 123 4XX -0.00006 -0.00012 0.00008 0.00007 -0.00001 124 4YY 0.00014 0.00033 -0.00005 -0.00050 0.00012 125 4ZZ -0.00008 -0.00013 0.00011 0.00016 -0.00003 126 4XY 0.00020 -0.00027 -0.00004 0.00020 0.00016 127 4XZ -0.00004 0.00006 0.00001 0.00001 0.00001 128 4YZ 0.00034 0.00001 -0.00037 -0.00033 0.00019 129 13 C 1S -0.00030 0.00008 -0.00017 0.00035 0.00011 130 2S 0.00071 -0.00004 0.00036 -0.00037 -0.00032 131 2PX 0.00033 -0.00010 0.00065 0.00478 0.00159 132 2PY 0.00050 0.00007 0.00033 -0.00108 -0.00031 133 2PZ 0.00042 -0.00024 0.00098 0.00404 0.00206 134 3S 0.00082 0.00020 0.00037 0.00045 0.00022 135 3PX 0.00024 0.00010 0.00047 0.00315 0.00233 136 3PY 0.00046 0.00049 -0.00053 0.00040 0.00099 137 3PZ 0.00030 0.00001 0.00063 0.00310 0.00139 138 4XX -0.00024 0.00005 0.00011 -0.00004 -0.00009 139 4YY 0.00010 -0.00011 0.00006 0.00012 0.00013 140 4ZZ 0.00007 0.00001 -0.00013 -0.00016 -0.00008 141 4XY 0.00003 0.00000 0.00001 0.00004 -0.00007 142 4XZ -0.00016 0.00006 0.00002 -0.00021 -0.00005 143 4YZ 0.00000 -0.00002 0.00005 0.00001 -0.00004 144 14 C 1S -0.00022 -0.00016 -0.00023 -0.00007 0.00017 145 2S 0.00033 0.00019 0.00020 0.00075 -0.00020 146 2PX -0.00326 0.00046 0.00164 -0.00012 -0.00011 147 2PY 0.00019 0.00032 -0.00009 -0.00047 -0.00043 148 2PZ -0.00309 0.00073 0.00199 0.00089 -0.00065 149 3S -0.00025 0.00027 -0.00043 -0.00097 -0.00183 150 3PX -0.00215 0.00043 0.00152 0.00071 0.00059 151 3PY 0.00016 0.00010 -0.00042 -0.00106 -0.00056 152 3PZ -0.00208 0.00027 0.00128 -0.00008 -0.00065 153 4XX -0.00001 -0.00001 -0.00002 -0.00021 -0.00006 154 4YY 0.00005 -0.00002 -0.00004 0.00005 0.00002 155 4ZZ -0.00001 0.00000 0.00005 0.00017 0.00006 156 4XY -0.00022 0.00006 0.00005 -0.00014 -0.00017 157 4XZ -0.00007 0.00003 -0.00003 -0.00010 -0.00003 158 4YZ -0.00015 0.00003 0.00000 -0.00024 -0.00017 159 15 C 1S -0.00091 -0.00016 0.00017 0.00022 0.00032 160 2S 0.00150 0.00012 -0.00108 -0.00042 -0.00035 161 2PX -0.00554 0.00147 0.00185 -0.00297 -0.00325 162 2PY 0.00034 -0.00009 -0.00068 -0.00030 0.00003 163 2PZ -0.00389 0.00121 -0.00023 -0.00375 -0.00363 164 3S 0.00029 -0.00011 0.00062 0.00085 -0.00029 165 3PX -0.00316 0.00099 0.00019 -0.00313 -0.00226 166 3PY 0.00006 0.00021 -0.00084 -0.00100 -0.00057 167 3PZ -0.00326 0.00075 0.00071 -0.00256 -0.00257 168 4XX 0.00012 -0.00011 0.00006 0.00008 0.00023 169 4YY -0.00002 0.00007 -0.00001 0.00001 -0.00004 170 4ZZ -0.00012 0.00005 0.00000 -0.00009 -0.00012 171 4XY 0.00009 -0.00001 -0.00002 -0.00004 -0.00001 172 4XZ -0.00009 0.00003 0.00002 0.00001 -0.00004 173 4YZ 0.00009 0.00002 -0.00016 -0.00006 -0.00002 174 16 C 1S -0.00105 -0.00018 -0.00061 -0.00072 -0.00107 175 2S 0.00174 -0.00110 0.00031 0.00165 0.00311 176 2PX -0.00071 0.00191 -0.00310 -0.00283 -0.00443 177 2PY -0.00089 0.00182 -0.00148 0.00076 -0.00126 178 2PZ -0.00358 0.00143 0.00071 -0.00181 -0.00248 179 3S 0.00293 -0.00112 -0.00104 0.00142 0.00442 180 3PX -0.00136 0.00130 -0.00190 -0.00243 -0.00321 181 3PY -0.00047 0.00007 0.00048 0.00020 -0.00073 182 3PZ -0.00205 0.00093 -0.00023 -0.00165 -0.00197 183 4XX -0.00025 0.00004 0.00002 -0.00033 -0.00031 184 4YY 0.00007 0.00007 0.00002 0.00009 0.00011 185 4ZZ 0.00008 -0.00005 0.00004 0.00013 0.00001 186 4XY -0.00005 -0.00002 0.00005 -0.00001 0.00011 187 4XZ -0.00027 0.00000 0.00009 -0.00015 -0.00016 188 4YZ 0.00006 0.00006 -0.00012 0.00003 0.00005 189 17 H 1S 0.00020 -0.00017 0.00003 0.00084 0.00049 190 2S 0.00048 -0.00002 -0.00057 0.00134 0.00148 191 18 H 1S 0.00014 -0.00018 -0.00009 -0.00003 0.00021 192 2S 0.00032 -0.00030 -0.00030 -0.00070 -0.00005 193 19 H 1S 0.00012 0.00001 0.00031 0.00007 0.00013 194 2S -0.00015 -0.00020 0.00099 0.00065 0.00040 195 20 H 1S -0.00008 0.00083 -0.00048 0.00119 0.00063 196 2S -0.00060 0.00160 -0.00074 0.00106 -0.00046 197 21 C 1S -0.00047 0.00018 -0.00069 -0.00023 -0.00040 198 2S 0.00058 -0.00077 0.00105 0.00042 0.00095 199 2PX 0.00013 0.00050 -0.00155 -0.00072 -0.00112 200 2PY -0.00098 -0.00062 0.00108 -0.00005 0.00091 201 2PZ -0.00064 0.00122 -0.00249 -0.00037 -0.00242 202 3S 0.00049 -0.00118 0.00153 0.00007 0.00021 203 3PX -0.00013 0.00003 -0.00007 -0.00020 -0.00139 204 3PY -0.00066 -0.00022 0.00085 0.00042 0.00012 205 3PZ 0.00104 0.00046 -0.00175 0.00072 -0.00041 206 4XX -0.00007 0.00004 -0.00001 0.00003 -0.00013 207 4YY 0.00004 -0.00001 0.00007 0.00012 0.00007 208 4ZZ 0.00010 -0.00003 -0.00009 -0.00012 0.00000 209 4XY -0.00009 0.00004 -0.00006 -0.00019 -0.00014 210 4XZ -0.00007 0.00006 -0.00016 -0.00015 -0.00008 211 4YZ -0.00005 0.00009 -0.00007 -0.00016 -0.00020 212 22 H 1S -0.00019 -0.00026 0.00093 0.00063 0.00017 213 2S -0.00092 -0.00009 0.00136 0.00053 -0.00085 214 23 H 1S -0.00009 0.00047 -0.00158 -0.00088 -0.00122 215 2S -0.00086 0.00056 -0.00141 -0.00200 -0.00104 81 82 83 84 85 81 4YZ 0.00118 82 9 H 1S -0.01140 0.21485 83 2S -0.00923 0.15501 0.13494 84 10 C 1S -0.00280 0.01078 0.01881 2.05381 85 2S 0.00540 -0.02379 -0.03589 -0.07109 0.35855 86 2PX 0.00729 -0.03953 -0.07197 -0.00061 0.00241 87 2PY -0.00063 0.01278 -0.00801 0.00350 -0.00756 88 2PZ -0.00046 0.01908 0.04012 0.00102 -0.00365 89 3S 0.00635 -0.04166 -0.03913 -0.14982 0.25478 90 3PX 0.00260 -0.01058 -0.01111 -0.00725 0.00851 91 3PY -0.00237 0.02963 0.02479 0.06048 -0.08069 92 3PZ 0.00104 0.00257 -0.00027 -0.00431 0.00555 93 4XX -0.00040 0.00369 0.00222 -0.01269 -0.01195 94 4YY 0.00014 -0.00366 -0.00283 -0.01530 -0.00363 95 4ZZ -0.00038 0.00529 0.00593 -0.01103 -0.01542 96 4XY -0.00012 0.00326 0.00818 0.00044 -0.00159 97 4XZ 0.00016 -0.00554 -0.00383 0.00244 -0.00539 98 4YZ 0.00034 0.00078 -0.00403 0.00044 -0.00127 99 11 O 1S 0.00000 0.00150 0.00197 -0.00036 0.00095 100 2S -0.00002 -0.00266 -0.00367 -0.00070 0.00008 101 2PX 0.00332 -0.01786 -0.02953 -0.00027 0.00025 102 2PY 0.00047 -0.00895 -0.01437 -0.00207 0.00770 103 2PZ 0.00143 -0.00176 0.00710 -0.00096 0.00090 104 3S -0.00023 -0.01184 -0.00992 0.01007 -0.01475 105 3PX 0.00295 -0.01733 -0.02632 0.00026 -0.00055 106 3PY 0.00017 -0.00826 -0.01030 0.00089 0.00135 107 3PZ 0.00121 -0.00040 0.00668 -0.00059 0.00012 108 4XX -0.00002 0.00060 0.00046 -0.00071 0.00073 109 4YY 0.00001 0.00020 -0.00006 -0.00048 0.00073 110 4ZZ 0.00005 0.00033 0.00030 -0.00064 0.00056 111 4XY -0.00001 -0.00003 -0.00009 0.00000 0.00007 112 4XZ -0.00002 -0.00005 -0.00013 0.00013 -0.00025 113 4YZ 0.00007 -0.00035 -0.00021 -0.00006 0.00018 114 12 O 1S -0.00031 0.00322 -0.00374 0.01187 -0.01328 115 2S 0.00048 -0.00599 0.00644 -0.02038 0.02305 116 2PX 0.00350 -0.00370 0.03611 -0.00967 0.01823 117 2PY -0.00246 0.01751 0.04848 0.10128 -0.21849 118 2PZ 0.00353 0.02492 -0.02442 -0.00765 0.01501 119 3S 0.00050 -0.02191 0.00405 -0.01281 -0.03473 120 3PX 0.00191 -0.00066 0.03033 -0.00492 0.00836 121 3PY -0.00141 0.01529 0.03147 0.05718 -0.11196 122 3PZ 0.00246 0.01722 -0.01855 -0.00424 0.00748 123 4XX -0.00006 0.00098 0.00100 0.00412 -0.00509 124 4YY 0.00017 -0.00053 -0.00280 -0.00903 0.01950 125 4ZZ -0.00009 0.00148 0.00123 0.00413 -0.00502 126 4XY -0.00037 0.00128 0.00069 0.00130 -0.00250 127 4XZ 0.00008 -0.00073 -0.00057 -0.00009 0.00028 128 4YZ -0.00016 -0.00166 0.00003 0.00107 -0.00185 129 13 C 1S 0.00041 -0.00158 -0.00255 0.00056 -0.00120 130 2S -0.00049 0.00449 0.00427 -0.00121 0.00285 131 2PX 0.00437 -0.01094 -0.00741 0.00340 -0.01021 132 2PY -0.00093 0.00486 0.00757 -0.00124 0.00432 133 2PZ 0.00447 -0.01167 -0.01515 0.00207 -0.00746 134 3S -0.00088 0.00848 0.01079 -0.00022 -0.00031 135 3PX 0.00400 -0.01954 -0.01494 0.00341 -0.00941 136 3PY 0.00043 -0.00611 -0.00418 0.00030 -0.00189 137 3PZ 0.00262 -0.00674 -0.00641 0.00217 -0.00671 138 4XX -0.00019 0.00074 0.00049 0.00040 -0.00055 139 4YY 0.00012 -0.00014 -0.00004 0.00013 -0.00020 140 4ZZ 0.00001 -0.00037 -0.00034 -0.00010 0.00055 141 4XY 0.00007 0.00019 0.00006 -0.00015 0.00031 142 4XZ -0.00014 0.00003 -0.00019 0.00006 0.00012 143 4YZ 0.00002 0.00042 0.00040 -0.00015 0.00034 144 14 C 1S -0.00003 0.00016 0.00039 0.00004 0.00053 145 2S 0.00020 0.00034 0.00086 0.00026 -0.00175 146 2PX -0.00041 0.00324 -0.00562 0.00269 -0.00613 147 2PY 0.00021 -0.00188 -0.00394 -0.00121 0.00087 148 2PZ -0.00002 0.00629 -0.00038 0.00343 -0.00788 149 3S -0.00097 0.00471 -0.00011 -0.00402 0.00575 150 3PX -0.00009 0.00227 -0.00139 0.00412 -0.00882 151 3PY 0.00011 -0.00306 -0.00489 -0.00245 0.00464 152 3PZ -0.00076 0.00661 0.00044 0.00121 -0.00342 153 4XX -0.00023 0.00074 0.00083 -0.00008 0.00039 154 4YY 0.00004 -0.00036 -0.00052 -0.00002 0.00002 155 4ZZ 0.00015 -0.00004 -0.00005 0.00005 -0.00022 156 4XY -0.00015 0.00096 0.00074 -0.00002 0.00004 157 4XZ -0.00004 -0.00003 -0.00021 0.00004 -0.00008 158 4YZ -0.00022 0.00088 0.00007 -0.00017 0.00061 159 15 C 1S -0.00031 0.00212 0.00231 0.00036 -0.00219 160 2S 0.00050 -0.00922 -0.00892 -0.00277 0.00558 161 2PX -0.00325 0.02167 0.01856 0.00023 -0.00009 162 2PY -0.00017 -0.00236 0.00046 -0.00030 0.00341 163 2PZ -0.00374 0.01493 -0.00587 -0.00175 0.00790 164 3S 0.00081 -0.00229 -0.00158 0.00719 -0.00454 165 3PX -0.00262 0.01022 0.00361 -0.00426 0.00545 166 3PY -0.00002 -0.00446 -0.00610 -0.00289 0.00595 167 3PZ -0.00245 0.01230 0.00099 0.00133 0.00292 168 4XX 0.00011 -0.00079 -0.00053 0.00022 -0.00049 169 4YY 0.00006 -0.00044 -0.00019 -0.00025 0.00014 170 4ZZ -0.00007 0.00073 0.00068 -0.00030 0.00056 171 4XY -0.00002 0.00010 0.00090 -0.00015 0.00032 172 4XZ -0.00008 0.00089 0.00043 -0.00002 -0.00041 173 4YZ -0.00002 -0.00038 -0.00059 -0.00011 0.00036 174 16 C 1S -0.00083 0.00454 0.00361 -0.00136 0.00291 175 2S 0.00180 -0.01158 -0.00775 0.00342 -0.00666 176 2PX -0.00284 0.00920 -0.00274 -0.00461 0.01563 177 2PY 0.00050 -0.00213 -0.00487 0.00026 -0.00254 178 2PZ -0.00250 0.02062 0.02496 -0.00036 0.00200 179 3S 0.00285 -0.02325 -0.02170 -0.00371 -0.00012 180 3PX -0.00372 0.01705 0.00906 -0.00522 0.00885 181 3PY -0.00009 0.00468 0.00254 0.00388 -0.00114 182 3PZ -0.00144 0.00976 0.00713 -0.00102 0.00612 183 4XX -0.00019 0.00033 -0.00076 -0.00088 0.00152 184 4YY 0.00011 -0.00073 0.00007 0.00007 -0.00044 185 4ZZ -0.00006 0.00131 0.00150 0.00015 -0.00077 186 4XY -0.00003 -0.00029 0.00016 0.00026 -0.00060 187 4XZ -0.00021 0.00186 0.00083 0.00012 -0.00001 188 4YZ 0.00004 -0.00093 -0.00113 0.00007 -0.00033 189 17 H 1S 0.00086 -0.00282 -0.00468 0.00039 -0.00211 190 2S 0.00220 -0.01312 -0.01380 0.00145 -0.00499 191 18 H 1S -0.00022 -0.00021 -0.00089 -0.00013 0.00076 192 2S -0.00025 -0.00080 -0.00265 -0.00149 0.00427 193 19 H 1S 0.00036 -0.00175 0.00671 0.00000 0.00008 194 2S 0.00025 0.00356 0.01215 0.00176 -0.00264 195 20 H 1S 0.00105 -0.00481 -0.00254 0.00128 -0.00488 196 2S 0.00037 -0.00047 0.00457 0.00096 -0.00688 197 21 C 1S -0.00004 -0.00113 -0.00241 -0.00067 0.00190 198 2S 0.00037 0.00335 0.00805 0.00120 -0.00328 199 2PX 0.00023 -0.00228 -0.00251 -0.00310 0.01031 200 2PY -0.00082 0.00511 0.01354 0.00243 -0.00517 201 2PZ -0.00034 -0.00298 -0.00933 -0.00085 0.00175 202 3S -0.00004 0.00877 0.01371 0.00203 -0.00260 203 3PX 0.00020 0.00704 0.00571 -0.00195 0.00688 204 3PY -0.00117 0.00947 0.01513 0.00279 -0.00539 205 3PZ 0.00074 -0.00308 -0.00550 -0.00282 0.00234 206 4XX -0.00001 0.00042 -0.00005 -0.00009 0.00012 207 4YY 0.00011 0.00038 0.00050 -0.00002 -0.00011 208 4ZZ -0.00008 -0.00044 -0.00044 -0.00012 0.00040 209 4XY -0.00027 0.00122 0.00102 0.00010 0.00018 210 4XZ -0.00009 -0.00082 -0.00082 -0.00034 0.00056 211 4YZ -0.00017 0.00082 0.00042 -0.00032 0.00067 212 22 H 1S 0.00000 0.00340 0.00371 0.00141 -0.00555 213 2S -0.00012 0.00972 0.00837 0.00305 -0.00548 214 23 H 1S -0.00040 -0.00370 -0.00492 -0.00137 0.00419 215 2S -0.00148 -0.00752 -0.00937 -0.00018 0.00267 86 87 88 89 90 86 2PX 0.37725 87 2PY -0.01133 0.42606 88 2PZ -0.06931 -0.00950 0.32857 89 3S 0.00259 -0.04864 0.00927 0.22567 90 3PX 0.08621 0.01369 0.04144 0.00904 0.04066 91 3PY 0.01005 -0.00595 -0.00089 -0.05925 -0.00235 92 3PZ 0.04163 0.01082 0.12312 0.00693 0.02830 93 4XX 0.00171 -0.01636 -0.00015 -0.00596 -0.00138 94 4YY -0.00015 0.01793 0.00049 -0.00696 0.00132 95 4ZZ -0.00107 -0.01244 0.00106 -0.00805 -0.00080 96 4XY -0.00643 -0.00246 0.01401 0.00135 0.00499 97 4XZ -0.00059 0.00722 -0.00248 -0.00384 -0.00045 98 4YZ 0.01374 -0.00040 0.00341 -0.00023 0.00195 99 11 O 1S 0.00021 0.00037 0.00027 -0.00332 -0.00010 100 2S -0.00094 0.00242 -0.00054 0.00611 0.00022 101 2PX -0.00205 -0.00215 -0.01484 -0.00478 0.02941 102 2PY -0.00056 -0.00832 0.00202 0.00346 -0.00052 103 2PZ -0.00949 -0.00436 -0.01354 0.00344 -0.02346 104 3S 0.00051 -0.01310 -0.00348 -0.00861 -0.00011 105 3PX 0.00216 -0.00211 -0.01332 -0.00362 0.02138 106 3PY -0.00026 -0.00895 0.00173 -0.00174 -0.00048 107 3PZ -0.00879 -0.00315 -0.00844 0.00396 -0.01669 108 4XX -0.00024 0.00113 -0.00004 0.00074 0.00012 109 4YY 0.00005 0.00028 0.00036 0.00038 0.00001 110 4ZZ -0.00012 0.00126 -0.00019 0.00062 -0.00014 111 4XY -0.00076 -0.00039 -0.00043 -0.00010 0.00077 112 4XZ -0.00009 0.00014 -0.00026 -0.00040 -0.00001 113 4YZ -0.00018 -0.00033 -0.00119 -0.00022 -0.00086 114 12 O 1S 0.00379 -0.04814 0.00348 0.03130 0.00045 115 2S -0.00908 0.11032 -0.01008 -0.08068 0.00113 116 2PX 0.14980 0.05615 0.10937 0.03212 0.11643 117 2PY 0.05412 -0.38653 0.05518 -0.15311 0.00402 118 2PZ 0.11120 0.05317 0.23611 0.01509 0.04634 119 3S 0.00167 0.02670 0.00705 -0.13691 0.00394 120 3PX 0.07892 0.03094 0.07880 0.01988 0.07447 121 3PY 0.02857 -0.20309 0.03002 -0.08118 0.00243 122 3PZ 0.07937 0.03089 0.13893 0.00817 0.02818 123 4XX 0.00274 -0.00498 0.00026 -0.00150 0.00063 124 4YY -0.00501 0.02180 -0.00513 0.01505 -0.00108 125 4ZZ 0.00068 -0.00458 0.00212 -0.00187 -0.00003 126 4XY -0.01604 -0.00452 -0.00318 -0.00246 -0.00720 127 4XZ 0.00147 0.00135 0.00197 -0.00019 0.00091 128 4YZ -0.00316 -0.00399 -0.01893 -0.00180 -0.00340 129 13 C 1S 0.00080 0.00124 0.00310 -0.00158 0.00117 130 2S 0.00142 -0.00433 -0.00735 0.00600 -0.00093 131 2PX -0.00147 0.01044 0.02074 -0.01740 -0.00523 132 2PY -0.00079 -0.00491 -0.00873 0.00717 0.00145 133 2PZ -0.00417 0.00707 0.01612 0.00617 0.00552 134 3S -0.01433 0.00282 -0.00300 0.00526 -0.00541 135 3PX -0.00069 0.01262 0.01882 -0.00968 -0.00099 136 3PY -0.01152 0.00821 -0.00303 0.00125 -0.00135 137 3PZ -0.00639 0.00386 0.01383 0.00081 0.00038 138 4XX 0.00023 0.00048 0.00140 -0.00164 -0.00014 139 4YY -0.00020 -0.00012 -0.00015 0.00012 0.00013 140 4ZZ 0.00088 -0.00081 -0.00069 0.00103 0.00038 141 4XY 0.00052 -0.00018 0.00016 0.00012 0.00011 142 4XZ 0.00022 -0.00004 0.00114 -0.00036 0.00019 143 4YZ 0.00016 -0.00031 -0.00025 0.00045 0.00009 144 14 C 1S 0.00015 0.00020 0.00065 -0.00349 -0.00179 145 2S -0.00039 0.00138 -0.00071 -0.00006 0.00035 146 2PX -0.00113 0.00794 0.02108 -0.00855 0.00460 147 2PY 0.00084 -0.00209 -0.00366 0.01234 0.00713 148 2PZ 0.00177 0.00975 0.02453 -0.02246 -0.00268 149 3S 0.00490 -0.01296 -0.01207 0.00875 0.00024 150 3PX -0.00493 0.01369 0.02211 -0.01254 0.00146 151 3PY 0.00493 -0.00706 -0.00885 0.01051 0.00356 152 3PZ -0.00106 0.00290 0.01180 -0.01213 -0.00195 153 4XX 0.00011 -0.00036 -0.00072 0.00006 -0.00015 154 4YY 0.00017 0.00005 -0.00014 0.00026 0.00022 155 4ZZ -0.00005 0.00041 0.00072 -0.00028 0.00000 156 4XY 0.00048 -0.00003 0.00004 -0.00078 -0.00016 157 4XZ 0.00006 0.00023 0.00026 -0.00006 0.00020 158 4YZ 0.00076 -0.00046 -0.00046 -0.00003 0.00029 159 15 C 1S -0.00195 0.00124 0.00113 0.00498 0.00131 160 2S 0.00563 -0.00377 -0.00609 0.00632 0.00279 161 2PX 0.00830 0.00125 0.00477 -0.01328 0.00193 162 2PY 0.00271 -0.00122 -0.00076 -0.00835 -0.00608 163 2PZ 0.01455 -0.00408 -0.00121 -0.01097 0.00278 164 3S 0.01583 0.00637 0.02229 -0.00849 0.00636 165 3PX 0.00627 -0.00302 -0.00736 -0.00349 0.00124 166 3PY 0.00914 -0.00436 -0.00508 0.00318 0.00040 167 3PZ 0.01849 -0.00062 0.00973 -0.01049 0.00531 168 4XX -0.00018 0.00055 0.00092 -0.00048 -0.00024 169 4YY 0.00016 -0.00007 -0.00060 0.00062 0.00009 170 4ZZ 0.00039 -0.00027 -0.00065 -0.00021 -0.00006 171 4XY 0.00004 -0.00028 -0.00088 0.00024 -0.00006 172 4XZ -0.00068 0.00034 0.00060 0.00008 0.00009 173 4YZ -0.00001 -0.00046 -0.00139 0.00095 0.00008 174 16 C 1S 0.00504 -0.00171 0.00135 0.00388 0.00155 175 2S -0.01265 0.00175 -0.00214 -0.00966 -0.00923 176 2PX 0.00602 -0.01170 -0.02295 0.00580 0.00139 177 2PY -0.00777 -0.00197 -0.00875 0.00777 -0.00454 178 2PZ -0.01040 -0.00275 -0.01907 -0.00870 -0.00455 179 3S -0.02680 0.01249 -0.03183 0.00325 -0.01674 180 3PX -0.01253 -0.01094 -0.02535 0.00164 -0.00539 181 3PY -0.00130 -0.00159 -0.00027 -0.00059 -0.00374 182 3PZ 0.00399 0.00073 -0.01375 -0.00178 -0.00143 183 4XX 0.00360 -0.00099 0.00137 0.00045 0.00116 184 4YY -0.00203 -0.00009 -0.00126 0.00066 -0.00048 185 4ZZ -0.00124 0.00036 0.00121 -0.00047 -0.00012 186 4XY -0.00059 0.00055 0.00007 -0.00067 -0.00026 187 4XZ 0.00175 0.00019 0.00173 -0.00073 0.00058 188 4YZ -0.00066 0.00006 -0.00002 0.00040 -0.00008 189 17 H 1S -0.00090 0.00202 0.00250 0.00049 0.00026 190 2S -0.00407 0.00690 0.00103 -0.00208 0.00198 191 18 H 1S -0.00097 -0.00055 -0.00111 0.00182 0.00066 192 2S 0.00227 -0.00492 -0.00568 0.00505 0.00141 193 19 H 1S 0.00132 0.00042 0.00062 -0.00346 -0.00168 194 2S -0.00177 0.00296 0.00597 -0.00722 -0.00232 195 20 H 1S -0.01381 0.00091 -0.00776 0.00175 -0.00629 196 2S -0.00427 -0.00509 0.00805 0.00170 0.00546 197 21 C 1S 0.00290 -0.00115 0.00352 -0.00143 -0.00070 198 2S -0.00736 0.00249 -0.00935 0.00174 -0.00106 199 2PX 0.00847 -0.00757 0.01036 -0.00015 0.00114 200 2PY -0.00850 0.00590 0.00233 -0.02146 -0.00762 201 2PZ 0.00937 0.00000 0.00452 0.00060 0.00063 202 3S -0.00399 -0.00725 -0.00962 0.00064 0.00028 203 3PX 0.01476 -0.00765 0.01109 0.00048 0.00507 204 3PY -0.01124 -0.00088 0.00688 -0.01230 -0.00484 205 3PZ -0.00311 -0.00145 -0.00593 0.00647 -0.00121 206 4XX 0.00047 -0.00004 0.00001 -0.00001 0.00011 207 4YY -0.00074 -0.00017 -0.00029 0.00020 -0.00017 208 4ZZ 0.00064 -0.00030 0.00018 0.00013 -0.00002 209 4XY -0.00032 -0.00014 -0.00138 -0.00055 -0.00023 210 4XZ 0.00092 -0.00039 0.00129 0.00010 0.00019 211 4YZ 0.00041 -0.00043 -0.00113 0.00104 0.00029 212 22 H 1S -0.00414 0.00423 -0.00531 0.00026 0.00015 213 2S 0.00643 0.00387 0.00516 -0.00408 0.00324 214 23 H 1S 0.00748 -0.00264 0.00531 0.00064 0.00069 215 2S 0.00926 0.00019 0.01089 -0.00374 0.00039 91 92 93 94 95 91 3PY 0.03597 92 3PZ -0.00080 0.06508 93 4XX 0.00512 -0.00032 0.00216 94 4YY -0.00312 0.00094 -0.00121 0.00226 95 4ZZ 0.00474 -0.00101 0.00096 -0.00070 0.00175 96 4XY -0.00055 0.00220 -0.00031 0.00005 0.00041 97 4XZ 0.00010 -0.00093 -0.00018 0.00055 -0.00030 98 4YZ 0.00034 0.00669 0.00020 0.00005 -0.00019 99 11 O 1S 0.00182 -0.00013 0.00011 -0.00037 0.00009 100 2S 0.00103 -0.00041 -0.00033 0.00117 -0.00009 101 2PX 0.00238 -0.02446 0.00038 0.00080 -0.00163 102 2PY 0.01806 -0.00298 -0.00051 0.00251 0.00055 103 2PZ -0.00101 0.01508 0.00012 0.00092 -0.00158 104 3S -0.00895 -0.00083 -0.00044 0.00210 -0.00001 105 3PX 0.00090 -0.01761 0.00029 0.00062 -0.00127 106 3PY 0.00759 -0.00140 -0.00043 0.00175 0.00035 107 3PZ -0.00254 0.01083 -0.00008 0.00078 -0.00119 108 4XX -0.00016 -0.00005 0.00002 -0.00008 -0.00006 109 4YY 0.00173 -0.00011 0.00001 0.00005 0.00005 110 4ZZ -0.00021 0.00008 -0.00006 -0.00005 -0.00001 111 4XY 0.00017 -0.00089 0.00002 0.00002 -0.00004 112 4XZ -0.00004 -0.00008 -0.00001 0.00006 -0.00002 113 4YZ 0.00037 0.00029 0.00003 0.00002 -0.00006 114 12 O 1S 0.00298 0.00021 0.00574 -0.01313 0.00484 115 2S -0.03149 -0.00026 -0.01260 0.02427 -0.01075 116 2PX -0.01410 0.04579 -0.00987 0.00584 0.00077 117 2PY 0.05491 0.01283 0.01971 -0.00717 0.01850 118 2PZ -0.00678 0.15490 -0.00105 0.00382 -0.00526 119 3S -0.03498 0.00488 -0.01077 0.02861 -0.00834 120 3PX -0.01014 0.02806 -0.00666 0.00394 0.00099 121 3PY 0.03093 0.00710 0.01033 -0.00361 0.00959 122 3PZ -0.00473 0.09751 -0.00054 0.00258 -0.00344 123 4XX 0.00258 0.00009 0.00059 -0.00063 0.00050 124 4YY -0.00374 -0.00181 -0.00115 -0.00004 -0.00120 125 4ZZ 0.00228 0.00088 0.00046 -0.00050 0.00050 126 4XY 0.00077 -0.00340 0.00050 -0.00031 0.00014 127 4XZ -0.00052 0.00121 -0.00015 0.00025 -0.00014 128 4YZ 0.00063 -0.01001 0.00017 -0.00023 0.00029 129 13 C 1S 0.00182 0.00067 0.00057 0.00008 -0.00023 130 2S -0.00563 -0.00123 -0.00098 0.00019 0.00075 131 2PX 0.00365 0.01495 0.00081 -0.00040 -0.00078 132 2PY 0.00156 -0.00599 -0.00036 0.00025 0.00058 133 2PZ -0.00606 0.00566 0.00043 0.00029 -0.00058 134 3S -0.00367 -0.00125 -0.00146 0.00080 0.00052 135 3PX 0.00209 0.00983 0.00108 -0.00014 -0.00120 136 3PY -0.00127 -0.00394 -0.00051 0.00093 -0.00055 137 3PZ -0.00238 0.00521 0.00027 0.00007 -0.00010 138 4XX 0.00108 0.00098 0.00029 -0.00011 -0.00012 139 4YY -0.00005 -0.00024 -0.00012 0.00003 0.00007 140 4ZZ -0.00044 -0.00058 -0.00001 -0.00002 0.00002 141 4XY -0.00010 0.00034 -0.00002 -0.00005 0.00001 142 4XZ 0.00043 0.00036 0.00025 -0.00009 -0.00011 143 4YZ -0.00001 -0.00004 -0.00001 -0.00001 0.00003 144 14 C 1S 0.00058 0.00012 0.00003 0.00005 0.00010 145 2S 0.00033 0.00175 -0.00025 -0.00009 -0.00013 146 2PX 0.00696 0.01033 0.00324 -0.00076 -0.00170 147 2PY -0.00052 -0.00329 -0.00021 -0.00022 -0.00018 148 2PZ 0.01115 0.01953 0.00344 -0.00129 -0.00161 149 3S -0.00220 -0.00240 0.00011 -0.00066 0.00035 150 3PX 0.00761 0.01070 0.00267 -0.00046 -0.00169 151 3PY -0.00230 -0.00448 -0.00026 -0.00020 0.00018 152 3PZ 0.00698 0.00911 0.00289 -0.00120 -0.00114 153 4XX 0.00008 -0.00048 -0.00001 0.00001 0.00004 154 4YY -0.00031 -0.00010 -0.00004 0.00002 -0.00001 155 4ZZ -0.00005 0.00038 0.00000 0.00002 0.00000 156 4XY 0.00069 0.00063 0.00006 -0.00005 -0.00002 157 4XZ 0.00018 -0.00004 0.00007 -0.00002 -0.00005 158 4YZ 0.00003 -0.00003 0.00000 0.00001 0.00003 159 15 C 1S -0.00061 -0.00138 0.00024 -0.00013 -0.00012 160 2S -0.00702 -0.00232 -0.00090 0.00042 0.00004 161 2PX 0.01779 0.01256 0.00132 -0.00088 -0.00046 162 2PY -0.00295 0.00112 -0.00028 0.00056 0.00033 163 2PZ -0.00015 0.00714 0.00047 0.00018 0.00021 164 3S 0.00087 0.01482 0.00038 -0.00004 -0.00059 165 3PX 0.00621 0.00165 0.00072 -0.00026 -0.00031 166 3PY -0.00441 -0.00012 -0.00041 0.00039 0.00006 167 3PZ 0.00505 0.01196 0.00107 -0.00024 -0.00033 168 4XX 0.00033 0.00002 0.00023 -0.00007 -0.00010 169 4YY 0.00004 -0.00001 -0.00006 0.00001 -0.00001 170 4ZZ 0.00013 0.00004 -0.00018 0.00006 0.00011 171 4XY 0.00003 -0.00036 -0.00019 0.00004 0.00009 172 4XZ 0.00006 0.00002 0.00013 -0.00005 -0.00005 173 4YZ -0.00078 -0.00091 -0.00019 0.00010 0.00009 174 16 C 1S -0.00137 0.00324 -0.00072 -0.00005 -0.00006 175 2S 0.00999 -0.00500 0.00069 -0.00011 0.00028 176 2PX -0.02081 -0.00652 -0.00499 0.00236 0.00253 177 2PY -0.00169 -0.00257 0.00018 0.00016 -0.00022 178 2PZ 0.01380 -0.00212 -0.00423 0.00095 0.00263 179 3S 0.00368 -0.02075 0.00060 0.00008 -0.00093 180 3PX -0.00850 -0.01175 -0.00304 0.00113 0.00222 181 3PY 0.00422 0.00167 0.00101 -0.00117 0.00014 182 3PZ 0.00399 0.00002 -0.00296 0.00074 0.00149 183 4XX -0.00033 0.00153 0.00018 -0.00009 -0.00012 184 4YY 0.00030 -0.00089 -0.00015 0.00005 0.00009 185 4ZZ -0.00013 0.00001 0.00010 -0.00006 0.00001 186 4XY 0.00047 -0.00005 0.00005 0.00002 -0.00004 187 4XZ 0.00073 0.00108 0.00031 -0.00012 -0.00011 188 4YZ -0.00050 -0.00038 0.00005 0.00004 -0.00005 189 17 H 1S -0.00392 0.00178 -0.00047 0.00012 0.00003 190 2S -0.00356 -0.00076 -0.00041 0.00054 -0.00067 191 18 H 1S -0.00245 -0.00221 -0.00022 0.00031 0.00011 192 2S -0.00405 -0.00455 -0.00039 0.00025 0.00040 193 19 H 1S 0.00406 0.00239 -0.00018 -0.00006 -0.00004 194 2S 0.00711 0.00421 0.00005 -0.00026 0.00008 195 20 H 1S 0.00522 -0.00466 -0.00024 0.00019 0.00026 196 2S -0.00142 0.00173 -0.00174 0.00173 0.00074 197 21 C 1S -0.00158 0.00234 0.00023 -0.00016 -0.00013 198 2S 0.00346 -0.00481 -0.00092 0.00021 0.00056 199 2PX -0.00743 0.00349 0.00000 -0.00007 0.00013 200 2PY 0.01773 0.00259 -0.00032 -0.00045 0.00046 201 2PZ -0.01070 0.00516 0.00127 -0.00038 -0.00138 202 3S 0.00518 -0.00379 0.00031 -0.00073 0.00039 203 3PX -0.00266 0.00583 -0.00042 -0.00033 0.00083 204 3PY 0.00935 0.00268 -0.00013 -0.00033 0.00067 205 3PZ -0.00899 -0.00233 0.00010 0.00036 -0.00104 206 4XX -0.00025 0.00044 -0.00003 0.00000 -0.00001 207 4YY 0.00027 -0.00025 -0.00011 0.00002 0.00010 208 4ZZ -0.00037 -0.00012 0.00017 -0.00005 -0.00010 209 4XY 0.00017 -0.00061 -0.00017 0.00007 0.00012 210 4XZ -0.00045 0.00043 0.00022 -0.00005 -0.00016 211 4YZ -0.00082 -0.00038 -0.00013 0.00006 0.00006 212 22 H 1S 0.00282 -0.00113 -0.00072 0.00011 0.00042 213 2S 0.00435 0.00374 -0.00169 -0.00015 0.00207 214 23 H 1S -0.00670 0.00259 0.00113 -0.00039 -0.00092 215 2S -0.00330 0.00431 0.00259 -0.00076 -0.00160 96 97 98 99 100 96 4XY 0.00399 97 4XZ -0.00030 0.00058 98 4YZ -0.00133 -0.00019 0.00308 99 11 O 1S 0.00001 0.00004 0.00003 2.07880 100 2S -0.00011 0.00006 -0.00016 -0.18258 0.50275 101 2PX 0.00171 0.00025 0.00396 0.00357 -0.01037 102 2PY -0.00062 0.00041 -0.00086 0.04157 -0.08231 103 2PZ 0.00345 0.00021 0.00476 0.00242 -0.00714 104 3S 0.00021 0.00024 0.00032 -0.24637 0.60155 105 3PX 0.00099 0.00021 0.00339 0.00268 -0.00714 106 3PY -0.00033 0.00032 -0.00055 0.03430 -0.06275 107 3PZ 0.00293 0.00016 0.00357 0.00175 -0.00445 108 4XX 0.00002 -0.00001 0.00000 -0.01192 -0.01061 109 4YY -0.00004 0.00001 -0.00006 -0.01047 -0.01115 110 4ZZ -0.00003 -0.00001 -0.00002 -0.01282 -0.00868 111 4XY 0.00011 0.00000 0.00012 0.00025 -0.00042 112 4XZ 0.00003 0.00001 0.00004 -0.00138 0.00298 113 4YZ 0.00009 0.00001 0.00018 0.00030 -0.00059 114 12 O 1S 0.00186 -0.00151 0.00129 0.00020 -0.00032 115 2S -0.00389 0.00334 -0.00263 -0.00032 0.00228 116 2PX 0.04610 -0.00276 -0.01104 -0.00016 0.00033 117 2PY 0.00617 -0.00391 0.00314 0.00018 -0.00436 118 2PZ -0.01139 -0.00290 0.03895 -0.00018 -0.00012 119 3S -0.00265 0.00359 -0.00196 -0.00116 -0.00212 120 3PX 0.03299 -0.00200 -0.00847 -0.00011 -0.00005 121 3PY 0.00356 -0.00230 0.00160 0.00024 -0.00142 122 3PZ -0.00876 -0.00196 0.02730 -0.00012 -0.00021 123 4XX 0.00031 -0.00007 0.00001 0.00004 0.00027 124 4YY -0.00047 0.00010 -0.00031 0.00012 0.00025 125 4ZZ 0.00001 -0.00009 0.00028 0.00003 0.00030 126 4XY -0.00168 0.00012 0.00003 -0.00001 0.00005 127 4XZ 0.00011 0.00004 0.00014 -0.00001 -0.00002 128 4YZ 0.00004 0.00018 -0.00172 -0.00002 0.00003 129 13 C 1S -0.00029 0.00028 -0.00058 -0.00019 0.00108 130 2S 0.00059 -0.00067 0.00129 0.00028 -0.00053 131 2PX -0.00095 0.00160 -0.00261 -0.00148 0.00084 132 2PY 0.00068 -0.00070 0.00118 -0.00181 0.00453 133 2PZ -0.00043 0.00072 -0.00161 0.00029 0.00116 134 3S 0.00092 -0.00056 0.00228 0.00539 -0.00709 135 3PX -0.00134 0.00182 -0.00312 0.00134 -0.00499 136 3PY 0.00002 0.00026 0.00120 -0.00306 0.00752 137 3PZ -0.00020 0.00063 -0.00200 0.00104 -0.00132 138 4XX -0.00008 0.00011 -0.00033 0.00007 -0.00037 139 4YY 0.00005 -0.00002 0.00006 0.00003 -0.00018 140 4ZZ 0.00000 -0.00005 0.00008 -0.00012 -0.00002 141 4XY 0.00000 -0.00002 0.00001 0.00010 -0.00039 142 4XZ -0.00007 0.00005 -0.00028 0.00007 -0.00006 143 4YZ 0.00002 -0.00005 0.00006 -0.00004 0.00017 144 14 C 1S 0.00006 -0.00006 -0.00005 0.00025 -0.00036 145 2S -0.00002 0.00020 0.00017 -0.00009 -0.00045 146 2PX -0.00108 0.00106 -0.00370 0.00096 -0.00029 147 2PY -0.00005 -0.00002 0.00037 0.00059 -0.00085 148 2PZ -0.00124 0.00158 -0.00414 -0.00014 -0.00063 149 3S -0.00017 -0.00054 0.00091 -0.00406 0.00739 150 3PX -0.00072 0.00134 -0.00331 0.00162 -0.00229 151 3PY -0.00020 -0.00035 0.00076 -0.00053 0.00115 152 3PZ -0.00087 0.00093 -0.00323 -0.00124 0.00256 153 4XX 0.00004 -0.00006 0.00006 0.00007 -0.00009 154 4YY -0.00002 0.00000 0.00003 0.00005 -0.00002 155 4ZZ 0.00001 0.00001 -0.00006 0.00005 0.00002 156 4XY -0.00005 0.00000 0.00000 0.00000 -0.00001 157 4XZ -0.00003 0.00003 -0.00007 0.00008 -0.00019 158 4YZ 0.00000 -0.00009 0.00010 0.00004 -0.00005 159 15 C 1S -0.00013 -0.00007 -0.00020 -0.00015 0.00032 160 2S -0.00005 -0.00021 0.00080 -0.00007 0.00015 161 2PX -0.00062 -0.00007 -0.00039 0.00008 0.00053 162 2PY 0.00013 -0.00026 0.00029 -0.00050 0.00098 163 2PZ -0.00019 -0.00106 0.00109 0.00015 -0.00003 164 3S -0.00051 0.00043 0.00025 0.00272 -0.00647 165 3PX -0.00038 -0.00034 0.00013 -0.00102 0.00309 166 3PY -0.00027 -0.00039 0.00134 -0.00164 0.00369 167 3PZ -0.00014 -0.00041 0.00053 0.00114 -0.00254 168 4XX -0.00013 0.00012 -0.00024 0.00000 0.00000 169 4YY 0.00001 0.00002 0.00006 -0.00003 0.00004 170 4ZZ 0.00011 -0.00010 0.00016 -0.00006 0.00015 171 4XY 0.00007 -0.00006 0.00016 -0.00003 0.00002 172 4XZ -0.00001 0.00002 -0.00013 -0.00001 0.00006 173 4YZ 0.00007 -0.00008 0.00026 -0.00002 0.00007 174 16 C 1S 0.00032 -0.00062 0.00055 -0.00011 0.00048 175 2S -0.00044 0.00118 -0.00090 0.00021 -0.00094 176 2PX 0.00246 -0.00309 0.00507 -0.00057 0.00105 177 2PY -0.00022 0.00033 0.00076 -0.00070 0.00114 178 2PZ 0.00248 -0.00156 0.00349 -0.00022 0.00031 179 3S -0.00273 0.00185 -0.00094 -0.00056 0.00135 180 3PX 0.00126 -0.00220 0.00259 -0.00044 0.00154 181 3PY -0.00186 0.00025 -0.00046 0.00039 -0.00156 182 3PZ -0.00033 -0.00119 0.00350 -0.00027 0.00028 183 4XX -0.00014 -0.00006 0.00004 -0.00002 0.00003 184 4YY 0.00008 0.00002 0.00008 -0.00008 0.00014 185 4ZZ 0.00002 0.00000 -0.00019 0.00005 -0.00020 186 4XY -0.00007 0.00007 -0.00007 -0.00004 0.00013 187 4XZ -0.00014 -0.00001 -0.00012 0.00004 -0.00013 188 4YZ -0.00004 0.00005 -0.00005 -0.00003 0.00004 189 17 H 1S -0.00005 0.00012 0.00001 0.00173 -0.00341 190 2S -0.00007 0.00063 0.00041 -0.00515 0.01047 191 18 H 1S 0.00018 -0.00028 0.00030 -0.00006 0.00077 192 2S 0.00017 -0.00061 0.00066 -0.00032 0.00153 193 19 H 1S -0.00008 0.00021 -0.00020 -0.00014 0.00025 194 2S 0.00031 0.00028 -0.00078 0.00042 -0.00126 195 20 H 1S 0.00030 0.00060 0.00031 -0.00043 0.00065 196 2S 0.00487 -0.00043 0.00126 -0.00068 0.00134 197 21 C 1S -0.00029 -0.00014 -0.00031 0.00002 -0.00061 198 2S 0.00075 0.00007 0.00101 -0.00031 0.00194 199 2PX -0.00021 -0.00131 -0.00052 -0.00003 -0.00184 200 2PY 0.00042 0.00068 -0.00111 0.00051 -0.00279 201 2PZ -0.00093 0.00022 -0.00054 -0.00004 -0.00176 202 3S 0.00217 -0.00022 0.00106 0.00118 -0.00353 203 3PX 0.00034 -0.00114 -0.00031 -0.00101 0.00106 204 3PY 0.00123 0.00008 -0.00091 0.00026 -0.00048 205 3PZ 0.00082 -0.00007 0.00184 -0.00068 0.00031 206 4XX 0.00000 0.00001 0.00005 -0.00006 0.00010 207 4YY 0.00008 -0.00004 0.00006 -0.00001 0.00001 208 4ZZ -0.00010 0.00001 -0.00008 -0.00003 0.00000 209 4XY 0.00011 -0.00010 0.00018 0.00007 -0.00022 210 4XZ -0.00016 0.00002 -0.00018 -0.00002 -0.00009 211 4YZ 0.00008 -0.00012 0.00020 0.00000 0.00002 212 22 H 1S 0.00026 0.00059 0.00023 -0.00019 0.00137 213 2S -0.00072 -0.00003 -0.00145 -0.00068 0.00266 214 23 H 1S -0.00080 -0.00013 -0.00076 -0.00005 -0.00116 215 2S -0.00217 0.00052 -0.00263 0.00025 -0.00140 101 102 103 104 105 101 2PX 0.74001 102 2PY -0.00375 0.60252 103 2PZ -0.13055 0.01037 0.64453 104 3S -0.00762 -0.24765 -0.00316 0.77264 105 3PX 0.51018 -0.01082 -0.10125 -0.00248 0.35396 106 3PY -0.00634 0.32613 0.00603 -0.15099 -0.00876 107 3PZ -0.10109 0.00262 0.43483 -0.00016 -0.07726 108 4XX 0.00380 -0.00523 -0.00172 -0.01144 0.00260 109 4YY -0.00242 0.04179 -0.00167 -0.02406 -0.00215 110 4ZZ -0.00166 -0.00526 0.00343 -0.00899 -0.00112 111 4XY 0.03420 0.00195 -0.00065 -0.00086 0.02286 112 4XZ 0.00253 -0.00020 0.00305 0.00380 0.00166 113 4YZ -0.00080 0.00173 0.03363 -0.00070 -0.00099 114 12 O 1S -0.00016 -0.00018 -0.00018 -0.00116 -0.00011 115 2S 0.00033 0.00436 -0.00012 -0.00212 -0.00005 116 2PX 0.02790 -0.00394 0.02911 0.00117 0.01994 117 2PY 0.00394 -0.00082 0.00668 0.01440 0.00381 118 2PZ 0.02911 -0.00668 0.04768 0.00193 0.02406 119 3S 0.00117 -0.01440 0.00193 0.01365 0.00165 120 3PX 0.01994 -0.00381 0.02407 0.00165 0.01414 121 3PY 0.00247 0.00372 0.00434 0.00406 0.00208 122 3PZ 0.02418 -0.00502 0.03577 0.00233 0.01994 123 4XX 0.00022 0.00118 0.00010 -0.00017 0.00015 124 4YY -0.00018 0.00057 -0.00047 -0.00175 -0.00025 125 4ZZ -0.00007 0.00140 -0.00020 -0.00008 -0.00007 126 4XY -0.00083 0.00035 -0.00110 0.00008 -0.00069 127 4XZ 0.00031 0.00009 0.00042 0.00013 0.00025 128 4YZ -0.00100 0.00031 -0.00152 0.00016 -0.00079 129 13 C 1S 0.00677 -0.00171 0.00658 -0.00118 0.00374 130 2S -0.01462 0.00124 -0.01323 -0.00582 -0.00786 131 2PX 0.04253 -0.00639 0.05132 0.01868 0.03153 132 2PY 0.01206 -0.00043 -0.00224 0.00656 0.00786 133 2PZ 0.02660 -0.00376 0.03228 -0.01053 0.01944 134 3S -0.04732 0.02927 -0.02953 -0.01885 -0.02998 135 3PX 0.01494 -0.00199 0.01997 0.00055 0.01243 136 3PY 0.03252 -0.00191 0.00175 0.01197 0.02331 137 3PZ 0.00074 0.00436 0.03813 -0.00682 0.00021 138 4XX 0.00005 -0.00061 0.00192 0.00007 -0.00036 139 4YY -0.00034 0.00012 0.00005 -0.00084 -0.00009 140 4ZZ -0.00065 -0.00006 -0.00159 0.00030 -0.00040 141 4XY 0.00083 -0.00026 0.00067 -0.00003 0.00057 142 4XZ -0.00132 -0.00033 -0.00016 -0.00035 -0.00122 143 4YZ 0.00072 -0.00019 0.00068 -0.00015 0.00044 144 14 C 1S -0.00187 0.00039 -0.00267 -0.00178 -0.00156 145 2S 0.00492 0.00046 0.00633 0.00483 0.00340 146 2PX -0.00924 -0.00241 0.00320 -0.01348 -0.00965 147 2PY -0.00537 0.00010 -0.00470 -0.00582 -0.00526 148 2PZ 0.00530 -0.00460 0.01988 0.00435 0.00245 149 3S 0.00043 -0.00452 0.01640 0.01264 -0.00118 150 3PX -0.00259 -0.00003 0.00207 -0.00795 -0.00345 151 3PY -0.00309 0.00118 -0.01472 -0.00195 -0.00211 152 3PZ 0.00503 -0.00687 0.01746 0.00329 0.00139 153 4XX -0.00189 0.00050 -0.00232 -0.00029 -0.00132 154 4YY 0.00010 0.00011 0.00026 -0.00032 0.00002 155 4ZZ 0.00176 -0.00014 0.00166 -0.00008 0.00126 156 4XY -0.00112 0.00010 -0.00142 0.00016 -0.00082 157 4XZ -0.00069 0.00021 -0.00126 -0.00036 -0.00053 158 4YZ -0.00130 0.00026 -0.00232 -0.00049 -0.00102 159 15 C 1S 0.00116 0.00010 -0.00008 0.00085 0.00117 160 2S -0.00084 0.00069 0.00039 -0.00005 -0.00083 161 2PX -0.01550 0.00393 -0.03223 -0.00350 -0.01302 162 2PY 0.00195 0.00079 -0.00180 0.00380 0.00284 163 2PZ -0.02024 0.00420 -0.03703 -0.00274 -0.01570 164 3S -0.00309 -0.00746 0.00564 -0.00575 -0.00269 165 3PX -0.01281 0.00731 -0.02765 -0.00105 -0.01024 166 3PY 0.00145 0.00256 -0.00470 0.00452 0.00183 167 3PZ -0.01638 0.00180 -0.03117 -0.00492 -0.01248 168 4XX 0.00056 -0.00030 0.00093 -0.00015 0.00041 169 4YY 0.00014 0.00014 0.00014 0.00027 0.00010 170 4ZZ 0.00021 0.00026 -0.00070 0.00024 0.00016 171 4XY 0.00078 0.00017 -0.00033 0.00038 0.00064 172 4XZ -0.00033 0.00015 -0.00057 -0.00008 -0.00030 173 4YZ -0.00037 0.00038 -0.00145 0.00005 -0.00017 174 16 C 1S -0.00182 0.00067 -0.00585 -0.00064 -0.00159 175 2S 0.00683 -0.00327 0.01209 0.00183 0.00518 176 2PX -0.01243 0.00712 -0.03065 0.00419 -0.00805 177 2PY -0.00553 0.00369 -0.01292 0.00617 -0.00351 178 2PZ -0.00511 0.00549 -0.02075 0.00327 -0.00402 179 3S 0.00139 0.00251 0.02649 0.00031 0.00260 180 3PX -0.01369 0.01065 -0.03503 0.00215 -0.00986 181 3PY 0.00280 -0.00890 -0.01186 0.00086 0.00109 182 3PZ -0.00344 0.00242 -0.02332 0.00244 -0.00226 183 4XX -0.00122 -0.00002 -0.00285 -0.00035 -0.00099 184 4YY 0.00077 -0.00020 0.00018 0.00024 0.00060 185 4ZZ 0.00024 -0.00053 0.00081 0.00001 0.00010 186 4XY 0.00011 0.00006 -0.00005 -0.00004 0.00012 187 4XZ -0.00114 -0.00003 -0.00225 -0.00031 -0.00094 188 4YZ -0.00006 0.00023 -0.00063 0.00021 -0.00002 189 17 H 1S -0.00696 0.00220 -0.00318 -0.00998 -0.00347 190 2S 0.06200 -0.01962 0.01090 0.01585 0.04476 191 18 H 1S -0.00068 0.00058 -0.00226 -0.00236 -0.00065 192 2S 0.00140 0.00029 -0.00657 -0.00320 0.00096 193 19 H 1S 0.00399 -0.00020 0.00348 0.00154 0.00306 194 2S 0.00499 -0.00219 0.00602 0.00084 0.00367 195 20 H 1S 0.00110 0.00167 -0.00176 0.00442 0.00117 196 2S 0.00233 0.00616 -0.00085 0.00492 0.00239 197 21 C 1S -0.00295 0.00001 -0.00211 0.00226 -0.00208 198 2S 0.00604 0.00029 0.00706 -0.00379 0.00483 199 2PX -0.00180 -0.00218 -0.00294 0.00829 -0.00141 200 2PY -0.00145 -0.00247 0.01135 0.00618 -0.00211 201 2PZ -0.00792 0.00139 -0.00490 0.00942 -0.00602 202 3S 0.01872 -0.01077 0.00591 -0.00825 0.01378 203 3PX 0.00821 -0.00831 0.00270 0.00730 0.00468 204 3PY -0.00826 0.00497 0.00781 0.00281 -0.00693 205 3PZ 0.00732 -0.00016 0.01423 0.00687 0.00646 206 4XX 0.00027 -0.00009 0.00071 0.00035 0.00015 207 4YY 0.00035 -0.00020 0.00033 -0.00029 0.00033 208 4ZZ -0.00120 -0.00009 -0.00055 0.00045 -0.00087 209 4XY -0.00145 0.00029 -0.00176 -0.00021 -0.00110 210 4XZ -0.00167 0.00002 -0.00129 0.00052 -0.00129 211 4YZ -0.00132 0.00023 -0.00200 -0.00029 -0.00089 212 22 H 1S 0.00427 0.00130 0.00196 -0.00325 0.00298 213 2S -0.00053 -0.00086 -0.00966 0.00000 -0.00184 214 23 H 1S -0.00832 -0.00010 -0.00604 0.00647 -0.00630 215 2S -0.02401 0.00309 -0.02168 0.00422 -0.01824 106 107 108 109 110 106 3PY 0.17852 107 3PZ 0.00186 0.29554 108 4XX -0.00264 -0.00119 0.00052 109 4YY 0.02254 -0.00137 -0.00014 0.00322 110 4ZZ -0.00265 0.00233 0.00041 -0.00017 0.00042 111 4XY 0.00086 -0.00090 0.00017 0.00000 -0.00009 112 4XZ -0.00017 0.00197 -0.00006 -0.00008 -0.00005 113 4YZ 0.00091 0.02208 -0.00009 -0.00002 0.00017 114 12 O 1S -0.00024 -0.00012 0.00004 0.00012 0.00003 115 2S 0.00142 -0.00021 0.00027 0.00025 0.00030 116 2PX -0.00247 0.02418 0.00022 -0.00018 -0.00007 117 2PY 0.00372 0.00502 -0.00118 -0.00057 -0.00140 118 2PZ -0.00434 0.03577 0.00010 -0.00047 -0.00020 119 3S -0.00406 0.00233 -0.00017 -0.00175 -0.00008 120 3PX -0.00208 0.01994 0.00015 -0.00025 -0.00007 121 3PY 0.00309 0.00312 -0.00053 0.00015 -0.00070 122 3PZ -0.00312 0.02688 0.00004 -0.00040 -0.00016 123 4XX 0.00053 0.00004 -0.00002 0.00010 -0.00003 124 4YY -0.00015 -0.00040 0.00010 0.00010 0.00010 125 4ZZ 0.00070 -0.00016 -0.00003 0.00010 -0.00003 126 4XY 0.00023 -0.00089 -0.00001 0.00001 -0.00001 127 4XZ 0.00010 0.00034 0.00000 -0.00001 0.00000 128 4YZ 0.00022 -0.00121 -0.00001 0.00001 0.00001 129 13 C 1S -0.00170 0.00415 0.00028 0.00030 0.00054 130 2S -0.00017 -0.00879 0.00037 0.00014 0.00011 131 2PX -0.00019 0.04076 -0.00151 -0.00096 -0.00032 132 2PY 0.00155 -0.00289 -0.00056 0.00050 -0.00004 133 2PZ -0.00543 0.02474 0.00028 0.00042 0.00125 134 3S 0.01540 -0.01711 0.00005 0.00212 -0.00032 135 3PX 0.00010 0.01810 -0.00072 -0.00011 0.00015 136 3PY -0.00053 0.00200 -0.00032 -0.00023 -0.00021 137 3PZ 0.00135 0.02829 -0.00020 0.00056 0.00066 138 4XX -0.00019 0.00103 -0.00001 -0.00003 -0.00002 139 4YY -0.00018 0.00027 0.00004 0.00001 0.00004 140 4ZZ 0.00008 -0.00122 -0.00002 -0.00001 -0.00002 141 4XY -0.00008 0.00053 -0.00002 -0.00003 -0.00002 142 4XZ -0.00024 -0.00044 0.00004 -0.00002 0.00000 143 4YZ -0.00016 0.00041 0.00000 0.00003 0.00003 144 14 C 1S -0.00043 -0.00179 0.00012 -0.00004 0.00006 145 2S 0.00165 0.00550 -0.00046 -0.00012 -0.00030 146 2PX -0.00430 -0.00125 0.00085 0.00046 0.00084 147 2PY -0.00155 -0.00348 0.00033 0.00008 0.00017 148 2PZ -0.00115 0.01286 -0.00041 -0.00040 -0.00014 149 3S -0.00132 0.00836 -0.00027 -0.00055 -0.00018 150 3PX -0.00116 0.00089 0.00029 0.00032 0.00030 151 3PY -0.00003 -0.01119 0.00019 0.00016 0.00005 152 3PZ -0.00383 0.00978 0.00006 -0.00044 0.00011 153 4XX 0.00031 -0.00178 0.00002 0.00004 -0.00002 154 4YY -0.00006 0.00023 0.00002 0.00001 0.00001 155 4ZZ -0.00011 0.00125 -0.00001 0.00001 0.00003 156 4XY 0.00010 -0.00116 0.00001 -0.00002 -0.00003 157 4XZ 0.00007 -0.00097 0.00002 0.00001 -0.00001 158 4YZ 0.00013 -0.00198 0.00003 0.00004 0.00000 159 15 C 1S 0.00030 0.00001 -0.00006 0.00002 -0.00002 160 2S 0.00027 0.00001 0.00003 0.00000 -0.00003 161 2PX 0.00198 -0.02741 0.00046 0.00028 -0.00017 162 2PY 0.00171 -0.00203 -0.00016 0.00005 -0.00011 163 2PZ 0.00298 -0.03252 0.00044 0.00028 -0.00033 164 3S -0.00440 0.00519 0.00016 -0.00040 0.00009 165 3PX 0.00378 -0.02392 0.00037 0.00042 -0.00021 166 3PY 0.00194 -0.00468 -0.00010 0.00011 -0.00012 167 3PZ 0.00138 -0.02568 0.00035 0.00025 -0.00024 168 4XX -0.00024 0.00080 0.00000 0.00000 0.00002 169 4YY 0.00015 0.00013 -0.00002 0.00000 -0.00002 170 4ZZ 0.00018 -0.00061 0.00000 0.00000 -0.00001 171 4XY 0.00017 -0.00009 -0.00002 -0.00001 -0.00002 172 4XZ 0.00006 -0.00045 0.00001 0.00001 0.00000 173 4YZ 0.00022 -0.00106 0.00001 0.00001 -0.00001 174 16 C 1S 0.00031 -0.00465 0.00012 0.00006 0.00000 175 2S -0.00188 0.00982 -0.00011 -0.00033 0.00009 176 2PX 0.00620 -0.02597 -0.00001 0.00020 -0.00054 177 2PY 0.00431 -0.01102 -0.00039 0.00011 -0.00045 178 2PZ 0.00380 -0.01675 0.00009 -0.00013 -0.00035 179 3S 0.00022 0.02025 -0.00011 0.00005 0.00032 180 3PX 0.00745 -0.02846 0.00007 0.00045 -0.00047 181 3PY -0.00427 -0.00946 0.00006 -0.00046 -0.00004 182 3PZ 0.00203 -0.01842 0.00009 -0.00016 -0.00024 183 4XX -0.00003 -0.00240 0.00005 0.00001 -0.00001 184 4YY -0.00008 0.00020 -0.00002 -0.00001 0.00001 185 4ZZ -0.00029 0.00076 0.00000 -0.00004 0.00000 186 4XY -0.00002 0.00002 0.00001 0.00001 0.00002 187 4XZ 0.00000 -0.00182 0.00002 0.00001 -0.00002 188 4YZ 0.00021 -0.00048 -0.00001 0.00000 -0.00002 189 17 H 1S -0.00104 -0.00094 0.00062 -0.00004 0.00026 190 2S -0.01290 0.00871 0.00045 -0.00196 0.00014 191 18 H 1S -0.00014 -0.00223 0.00017 0.00027 0.00021 192 2S -0.00070 -0.00597 0.00029 0.00029 0.00027 193 19 H 1S 0.00012 0.00299 -0.00009 -0.00005 -0.00001 194 2S -0.00085 0.00553 -0.00015 -0.00013 0.00001 195 20 H 1S 0.00208 -0.00158 -0.00028 -0.00004 -0.00020 196 2S 0.00483 -0.00057 -0.00031 0.00019 -0.00033 197 21 C 1S 0.00090 -0.00212 -0.00014 -0.00013 -0.00022 198 2S -0.00164 0.00633 0.00024 0.00037 0.00047 199 2PX 0.00182 -0.00273 -0.00064 -0.00051 -0.00064 200 2PY -0.00067 0.00949 -0.00015 -0.00088 -0.00041 201 2PZ 0.00378 -0.00448 -0.00049 -0.00043 -0.00087 202 3S -0.00772 0.00549 0.00056 -0.00009 0.00056 203 3PX -0.00331 0.00083 -0.00027 -0.00072 -0.00021 204 3PY 0.00319 0.00659 -0.00019 -0.00003 -0.00033 205 3PZ 0.00087 0.01176 -0.00031 -0.00030 -0.00046 206 4XX 0.00000 0.00045 -0.00001 -0.00001 -0.00001 207 4YY -0.00023 0.00033 0.00002 -0.00001 0.00003 208 4ZZ 0.00008 -0.00039 -0.00002 -0.00002 -0.00004 209 4XY 0.00019 -0.00146 0.00003 0.00000 -0.00003 210 4XZ 0.00021 -0.00109 -0.00002 -0.00003 -0.00006 211 4YZ 0.00017 -0.00162 0.00002 0.00004 -0.00001 212 22 H 1S -0.00069 0.00159 0.00025 0.00029 0.00038 213 2S -0.00104 -0.00842 0.00005 -0.00001 0.00039 214 23 H 1S 0.00217 -0.00499 -0.00037 -0.00028 -0.00060 215 2S 0.00406 -0.01754 -0.00024 -0.00007 -0.00069 111 112 113 114 115 111 4XY 0.00185 112 4XZ 0.00015 0.00006 113 4YZ 0.00016 0.00019 0.00195 114 12 O 1S 0.00001 -0.00001 0.00002 2.07880 115 2S -0.00005 -0.00002 -0.00003 -0.18258 0.50275 116 2PX 0.00083 0.00031 0.00100 0.00357 -0.01037 117 2PY 0.00035 -0.00009 0.00031 -0.04157 0.08231 118 2PZ 0.00110 0.00042 0.00152 0.00242 -0.00714 119 3S -0.00008 0.00013 -0.00016 -0.24637 0.60155 120 3PX 0.00069 0.00025 0.00079 0.00268 -0.00714 121 3PY 0.00023 -0.00010 0.00022 -0.03430 0.06275 122 3PZ 0.00089 0.00034 0.00121 0.00175 -0.00445 123 4XX 0.00001 0.00000 0.00001 -0.01192 -0.01061 124 4YY -0.00001 -0.00001 -0.00001 -0.01047 -0.01115 125 4ZZ 0.00001 0.00000 -0.00001 -0.01282 -0.00868 126 4XY -0.00001 -0.00001 -0.00003 -0.00025 0.00042 127 4XZ 0.00001 0.00001 0.00001 -0.00138 0.00298 128 4YZ -0.00003 -0.00001 -0.00002 -0.00030 0.00059 129 13 C 1S 0.00037 -0.00004 0.00027 -0.00011 0.00048 130 2S -0.00084 0.00006 -0.00066 0.00021 -0.00094 131 2PX 0.00214 -0.00009 0.00154 -0.00057 0.00105 132 2PY 0.00084 -0.00030 0.00026 0.00070 -0.00114 133 2PZ 0.00074 0.00005 0.00063 -0.00022 0.00031 134 3S -0.00253 -0.00014 -0.00207 -0.00056 0.00135 135 3PX 0.00031 -0.00026 0.00007 -0.00044 0.00154 136 3PY 0.00138 0.00009 0.00019 -0.00039 0.00156 137 3PZ 0.00019 0.00002 0.00113 -0.00027 0.00028 138 4XX 0.00010 0.00000 0.00011 -0.00002 0.00003 139 4YY -0.00008 0.00001 -0.00004 -0.00008 0.00014 140 4ZZ -0.00006 -0.00002 -0.00003 0.00005 -0.00020 141 4XY 0.00005 0.00000 0.00003 0.00004 -0.00013 142 4XZ -0.00001 0.00000 0.00004 0.00004 -0.00013 143 4YZ 0.00005 -0.00001 0.00003 0.00003 -0.00004 144 14 C 1S -0.00018 -0.00001 -0.00006 -0.00015 0.00032 145 2S 0.00040 -0.00001 0.00015 -0.00007 0.00015 146 2PX -0.00034 -0.00005 0.00004 0.00008 0.00053 147 2PY -0.00051 0.00009 -0.00018 0.00050 -0.00098 148 2PZ 0.00073 -0.00016 0.00069 0.00015 -0.00003 149 3S 0.00055 0.00015 0.00133 0.00272 -0.00646 150 3PX -0.00003 -0.00010 -0.00023 -0.00102 0.00309 151 3PY -0.00044 -0.00002 -0.00048 0.00164 -0.00369 152 3PZ 0.00075 0.00000 0.00091 0.00114 -0.00254 153 4XX -0.00008 -0.00001 -0.00007 0.00000 0.00000 154 4YY 0.00000 0.00001 -0.00001 -0.00003 0.00004 155 4ZZ 0.00009 0.00000 0.00005 -0.00006 0.00015 156 4XY -0.00005 0.00000 -0.00004 0.00003 -0.00002 157 4XZ -0.00006 0.00000 -0.00004 -0.00001 0.00006 158 4YZ -0.00006 -0.00001 -0.00006 0.00002 -0.00007 159 15 C 1S 0.00011 -0.00001 0.00002 0.00025 -0.00036 160 2S -0.00010 0.00007 -0.00002 -0.00009 -0.00045 161 2PX -0.00077 -0.00013 -0.00080 0.00096 -0.00029 162 2PY 0.00024 -0.00009 0.00001 -0.00059 0.00085 163 2PZ -0.00076 -0.00005 -0.00096 -0.00014 -0.00063 164 3S -0.00011 -0.00006 -0.00019 -0.00406 0.00739 165 3PX -0.00070 -0.00001 -0.00055 0.00162 -0.00229 166 3PY 0.00002 0.00000 0.00006 0.00053 -0.00115 167 3PZ -0.00072 -0.00016 -0.00105 -0.00124 0.00256 168 4XX 0.00003 -0.00001 0.00001 0.00007 -0.00009 169 4YY 0.00001 0.00000 0.00001 0.00005 -0.00002 170 4ZZ 0.00001 0.00000 0.00000 0.00005 0.00002 171 4XY 0.00002 0.00000 0.00000 0.00000 0.00001 172 4XZ -0.00001 0.00000 -0.00002 0.00008 -0.00019 173 4YZ -0.00004 0.00001 -0.00004 -0.00004 0.00005 174 16 C 1S -0.00007 -0.00001 -0.00015 -0.00019 0.00108 175 2S 0.00032 0.00004 0.00028 0.00028 -0.00053 176 2PX -0.00042 0.00013 -0.00065 -0.00148 0.00084 177 2PY -0.00010 0.00001 -0.00028 0.00181 -0.00453 178 2PZ -0.00038 0.00013 -0.00029 0.00029 0.00116 179 3S -0.00029 0.00016 0.00102 0.00539 -0.00709 180 3PX -0.00053 0.00010 -0.00087 0.00134 -0.00499 181 3PY 0.00043 -0.00011 -0.00046 0.00306 -0.00752 182 3PZ -0.00035 0.00007 -0.00054 0.00104 -0.00132 183 4XX -0.00005 -0.00001 -0.00009 0.00007 -0.00037 184 4YY 0.00003 0.00000 0.00001 0.00003 -0.00018 185 4ZZ 0.00003 0.00000 0.00002 -0.00012 -0.00002 186 4XY -0.00001 0.00000 -0.00001 -0.00010 0.00039 187 4XZ -0.00005 -0.00001 -0.00007 0.00007 -0.00006 188 4YZ -0.00001 0.00000 -0.00002 0.00004 -0.00017 189 17 H 1S -0.00074 0.00024 -0.00044 -0.00043 0.00065 190 2S 0.00225 0.00057 0.00067 -0.00068 0.00134 191 18 H 1S 0.00000 0.00000 -0.00010 -0.00014 0.00025 192 2S 0.00001 0.00000 -0.00013 0.00042 -0.00126 193 19 H 1S 0.00014 -0.00005 0.00013 -0.00006 0.00077 194 2S 0.00028 -0.00010 0.00011 -0.00032 0.00153 195 20 H 1S 0.00006 0.00004 0.00003 0.00173 -0.00341 196 2S 0.00002 0.00012 0.00008 -0.00515 0.01047 197 21 C 1S 0.00001 0.00000 0.00000 0.00002 -0.00061 198 2S 0.00001 -0.00001 0.00002 -0.00031 0.00194 199 2PX 0.00030 -0.00008 0.00027 -0.00003 -0.00184 200 2PY 0.00008 0.00011 0.00049 -0.00051 0.00279 201 2PZ 0.00000 0.00003 -0.00006 -0.00004 -0.00176 202 3S 0.00060 -0.00011 -0.00006 0.00118 -0.00353 203 3PX 0.00080 -0.00001 0.00046 -0.00101 0.00106 204 3PY -0.00004 0.00006 0.00021 -0.00026 0.00048 205 3PZ 0.00027 0.00016 0.00051 -0.00068 0.00031 206 4XX 0.00003 0.00000 0.00003 -0.00006 0.00010 207 4YY -0.00001 0.00001 0.00001 -0.00001 0.00001 208 4ZZ -0.00003 -0.00001 -0.00001 -0.00003 0.00000 209 4XY -0.00006 0.00001 -0.00003 -0.00007 0.00022 210 4XZ -0.00004 0.00000 -0.00002 -0.00002 -0.00009 211 4YZ -0.00006 0.00000 -0.00005 0.00000 -0.00002 212 22 H 1S 0.00000 0.00003 -0.00014 -0.00019 0.00137 213 2S 0.00010 -0.00008 -0.00036 -0.00068 0.00266 214 23 H 1S -0.00008 -0.00005 -0.00007 -0.00005 -0.00116 215 2S -0.00071 -0.00013 -0.00062 0.00025 -0.00140 116 117 118 119 120 116 2PX 0.74000 117 2PY 0.00375 0.60252 118 2PZ -0.13055 -0.01037 0.64453 119 3S -0.00761 0.24765 -0.00316 0.77265 120 3PX 0.51018 0.01081 -0.10125 -0.00248 0.35396 121 3PY 0.00634 0.32613 -0.00603 0.15099 0.00876 122 3PZ -0.10109 -0.00261 0.43483 -0.00016 -0.07726 123 4XX 0.00380 0.00523 -0.00172 -0.01144 0.00259 124 4YY -0.00242 -0.04179 -0.00167 -0.02406 -0.00215 125 4ZZ -0.00166 0.00526 0.00343 -0.00899 -0.00112 126 4XY -0.03420 0.00195 0.00065 0.00086 -0.02286 127 4XZ 0.00253 0.00020 0.00305 0.00380 0.00166 128 4YZ 0.00080 0.00173 -0.03363 0.00070 0.00099 129 13 C 1S -0.00182 -0.00067 -0.00585 -0.00064 -0.00159 130 2S 0.00683 0.00327 0.01209 0.00183 0.00518 131 2PX -0.01243 -0.00712 -0.03065 0.00418 -0.00805 132 2PY 0.00553 0.00369 0.01292 -0.00617 0.00351 133 2PZ -0.00511 -0.00549 -0.02075 0.00327 -0.00402 134 3S 0.00139 -0.00251 0.02649 0.00031 0.00260 135 3PX -0.01369 -0.01065 -0.03503 0.00215 -0.00986 136 3PY -0.00280 -0.00890 0.01186 -0.00086 -0.00109 137 3PZ -0.00344 -0.00242 -0.02332 0.00244 -0.00225 138 4XX -0.00122 0.00002 -0.00285 -0.00035 -0.00099 139 4YY 0.00077 0.00020 0.00018 0.00024 0.00060 140 4ZZ 0.00024 0.00053 0.00081 0.00001 0.00010 141 4XY -0.00011 0.00006 0.00005 0.00004 -0.00012 142 4XZ -0.00114 0.00003 -0.00225 -0.00031 -0.00094 143 4YZ 0.00006 0.00023 0.00063 -0.00021 0.00002 144 14 C 1S 0.00116 -0.00010 -0.00008 0.00085 0.00117 145 2S -0.00085 -0.00069 0.00039 -0.00005 -0.00083 146 2PX -0.01550 -0.00393 -0.03223 -0.00350 -0.01302 147 2PY -0.00195 0.00079 0.00180 -0.00380 -0.00284 148 2PZ -0.02024 -0.00420 -0.03703 -0.00274 -0.01570 149 3S -0.00309 0.00746 0.00564 -0.00575 -0.00269 150 3PX -0.01281 -0.00731 -0.02765 -0.00105 -0.01024 151 3PY -0.00145 0.00256 0.00470 -0.00452 -0.00183 152 3PZ -0.01638 -0.00180 -0.03117 -0.00492 -0.01248 153 4XX 0.00056 0.00030 0.00093 -0.00015 0.00041 154 4YY 0.00014 -0.00014 0.00014 0.00027 0.00010 155 4ZZ 0.00021 -0.00026 -0.00070 0.00024 0.00016 156 4XY -0.00078 0.00017 0.00033 -0.00038 -0.00064 157 4XZ -0.00033 -0.00015 -0.00057 -0.00008 -0.00030 158 4YZ 0.00037 0.00038 0.00145 -0.00005 0.00017 159 15 C 1S -0.00187 -0.00039 -0.00268 -0.00178 -0.00156 160 2S 0.00492 -0.00046 0.00633 0.00483 0.00340 161 2PX -0.00924 0.00241 0.00320 -0.01348 -0.00965 162 2PY 0.00537 0.00010 0.00470 0.00582 0.00526 163 2PZ 0.00530 0.00460 0.01988 0.00436 0.00245 164 3S 0.00042 0.00451 0.01640 0.01264 -0.00118 165 3PX -0.00259 0.00003 0.00207 -0.00795 -0.00344 166 3PY 0.00309 0.00118 0.01472 0.00195 0.00211 167 3PZ 0.00503 0.00686 0.01746 0.00329 0.00139 168 4XX -0.00189 -0.00050 -0.00232 -0.00029 -0.00132 169 4YY 0.00010 -0.00011 0.00026 -0.00032 0.00002 170 4ZZ 0.00176 0.00014 0.00166 -0.00008 0.00126 171 4XY 0.00112 0.00010 0.00142 -0.00016 0.00082 172 4XZ -0.00069 -0.00021 -0.00126 -0.00036 -0.00053 173 4YZ 0.00130 0.00026 0.00232 0.00049 0.00102 174 16 C 1S 0.00677 0.00171 0.00658 -0.00118 0.00374 175 2S -0.01462 -0.00124 -0.01323 -0.00582 -0.00786 176 2PX 0.04253 0.00639 0.05132 0.01868 0.03154 177 2PY -0.01206 -0.00043 0.00223 -0.00657 -0.00786 178 2PZ 0.02660 0.00376 0.03228 -0.01053 0.01944 179 3S -0.04732 -0.02927 -0.02953 -0.01885 -0.02998 180 3PX 0.01494 0.00200 0.01997 0.00055 0.01243 181 3PY -0.03252 -0.00191 -0.00175 -0.01197 -0.02332 182 3PZ 0.00074 -0.00436 0.03813 -0.00682 0.00020 183 4XX 0.00005 0.00061 0.00192 0.00007 -0.00036 184 4YY -0.00034 -0.00012 0.00005 -0.00084 -0.00009 185 4ZZ -0.00065 0.00006 -0.00159 0.00030 -0.00040 186 4XY -0.00083 -0.00026 -0.00067 0.00003 -0.00057 187 4XZ -0.00132 0.00033 -0.00016 -0.00035 -0.00122 188 4YZ -0.00072 -0.00019 -0.00068 0.00015 -0.00044 189 17 H 1S 0.00110 -0.00167 -0.00176 0.00442 0.00117 190 2S 0.00233 -0.00616 -0.00085 0.00492 0.00239 191 18 H 1S 0.00399 0.00020 0.00348 0.00154 0.00306 192 2S 0.00499 0.00219 0.00602 0.00084 0.00367 193 19 H 1S -0.00068 -0.00058 -0.00226 -0.00236 -0.00065 194 2S 0.00140 -0.00029 -0.00657 -0.00320 0.00096 195 20 H 1S -0.00696 -0.00220 -0.00318 -0.00998 -0.00347 196 2S 0.06201 0.01962 0.01090 0.01586 0.04476 197 21 C 1S -0.00295 -0.00001 -0.00211 0.00226 -0.00208 198 2S 0.00604 -0.00029 0.00706 -0.00379 0.00483 199 2PX -0.00180 0.00218 -0.00294 0.00829 -0.00141 200 2PY 0.00145 -0.00247 -0.01135 -0.00618 0.00211 201 2PZ -0.00792 -0.00139 -0.00490 0.00942 -0.00602 202 3S 0.01872 0.01077 0.00590 -0.00825 0.01378 203 3PX 0.00821 0.00831 0.00270 0.00730 0.00468 204 3PY 0.00826 0.00497 -0.00781 -0.00281 0.00694 205 3PZ 0.00732 0.00016 0.01423 0.00687 0.00646 206 4XX 0.00027 0.00009 0.00071 0.00035 0.00015 207 4YY 0.00035 0.00020 0.00033 -0.00029 0.00033 208 4ZZ -0.00120 0.00009 -0.00055 0.00045 -0.00087 209 4XY 0.00145 0.00029 0.00176 0.00021 0.00110 210 4XZ -0.00167 -0.00002 -0.00129 0.00052 -0.00129 211 4YZ 0.00132 0.00023 0.00200 0.00029 0.00089 212 22 H 1S 0.00427 -0.00130 0.00196 -0.00325 0.00298 213 2S -0.00053 0.00086 -0.00966 0.00000 -0.00184 214 23 H 1S -0.00832 0.00010 -0.00604 0.00647 -0.00630 215 2S -0.02401 -0.00309 -0.02168 0.00422 -0.01824 121 122 123 124 125 121 3PY 0.17852 122 3PZ -0.00185 0.29554 123 4XX 0.00264 -0.00119 0.00052 124 4YY -0.02254 -0.00137 -0.00014 0.00322 125 4ZZ 0.00265 0.00233 0.00041 -0.00017 0.00042 126 4XY 0.00086 0.00090 -0.00017 0.00000 0.00009 127 4XZ 0.00017 0.00197 -0.00006 -0.00008 -0.00005 128 4YZ 0.00091 -0.02208 0.00009 0.00002 -0.00017 129 13 C 1S -0.00031 -0.00465 0.00012 0.00006 0.00000 130 2S 0.00188 0.00982 -0.00011 -0.00033 0.00009 131 2PX -0.00620 -0.02597 -0.00001 0.00020 -0.00054 132 2PY 0.00431 0.01102 0.00039 -0.00011 0.00045 133 2PZ -0.00380 -0.01675 0.00009 -0.00013 -0.00035 134 3S -0.00022 0.02026 -0.00011 0.00005 0.00032 135 3PX -0.00745 -0.02846 0.00007 0.00045 -0.00047 136 3PY -0.00427 0.00946 -0.00006 0.00046 0.00004 137 3PZ -0.00203 -0.01842 0.00009 -0.00016 -0.00024 138 4XX 0.00003 -0.00240 0.00005 0.00001 -0.00001 139 4YY 0.00008 0.00020 -0.00002 -0.00001 0.00001 140 4ZZ 0.00029 0.00076 0.00000 -0.00004 0.00000 141 4XY -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 142 4XZ 0.00000 -0.00182 0.00002 0.00001 -0.00002 143 4YZ 0.00021 0.00048 0.00001 0.00000 0.00002 144 14 C 1S -0.00030 0.00001 -0.00006 0.00002 -0.00002 145 2S -0.00027 0.00001 0.00003 0.00000 -0.00003 146 2PX -0.00198 -0.02741 0.00046 0.00028 -0.00017 147 2PY 0.00171 0.00203 0.00016 -0.00005 0.00011 148 2PZ -0.00298 -0.03252 0.00044 0.00028 -0.00033 149 3S 0.00440 0.00519 0.00016 -0.00040 0.00009 150 3PX -0.00378 -0.02392 0.00037 0.00042 -0.00021 151 3PY 0.00194 0.00468 0.00010 -0.00011 0.00012 152 3PZ -0.00138 -0.02568 0.00035 0.00025 -0.00024 153 4XX 0.00024 0.00080 0.00000 0.00000 0.00002 154 4YY -0.00015 0.00013 -0.00002 0.00000 -0.00002 155 4ZZ -0.00018 -0.00061 0.00000 0.00000 -0.00001 156 4XY 0.00017 0.00009 0.00002 0.00001 0.00002 157 4XZ -0.00006 -0.00045 0.00001 0.00001 0.00000 158 4YZ 0.00022 0.00106 -0.00001 -0.00001 0.00001 159 15 C 1S 0.00043 -0.00179 0.00012 -0.00004 0.00006 160 2S -0.00165 0.00550 -0.00046 -0.00012 -0.00030 161 2PX 0.00430 -0.00125 0.00085 0.00046 0.00084 162 2PY -0.00155 0.00348 -0.00033 -0.00008 -0.00017 163 2PZ 0.00115 0.01286 -0.00041 -0.00040 -0.00014 164 3S 0.00132 0.00836 -0.00027 -0.00055 -0.00018 165 3PX 0.00116 0.00089 0.00029 0.00032 0.00030 166 3PY -0.00003 0.01119 -0.00019 -0.00016 -0.00005 167 3PZ 0.00383 0.00978 0.00006 -0.00044 0.00011 168 4XX -0.00031 -0.00178 0.00002 0.00004 -0.00002 169 4YY 0.00006 0.00023 0.00002 0.00001 0.00001 170 4ZZ 0.00011 0.00125 -0.00001 0.00001 0.00003 171 4XY 0.00010 0.00116 -0.00001 0.00002 0.00003 172 4XZ -0.00007 -0.00097 0.00002 0.00001 -0.00001 173 4YZ 0.00013 0.00198 -0.00003 -0.00004 0.00000 174 16 C 1S 0.00170 0.00415 0.00028 0.00030 0.00054 175 2S 0.00017 -0.00879 0.00037 0.00014 0.00011 176 2PX 0.00019 0.04076 -0.00151 -0.00096 -0.00032 177 2PY 0.00155 0.00289 0.00056 -0.00050 0.00004 178 2PZ 0.00543 0.02474 0.00028 0.00042 0.00125 179 3S -0.01540 -0.01711 0.00005 0.00212 -0.00032 180 3PX -0.00010 0.01810 -0.00072 -0.00011 0.00015 181 3PY -0.00053 -0.00201 0.00032 0.00023 0.00021 182 3PZ -0.00135 0.02829 -0.00020 0.00056 0.00066 183 4XX 0.00019 0.00103 -0.00001 -0.00003 -0.00002 184 4YY 0.00018 0.00027 0.00004 0.00001 0.00004 185 4ZZ -0.00008 -0.00122 -0.00002 -0.00001 -0.00002 186 4XY -0.00008 -0.00053 0.00002 0.00003 0.00002 187 4XZ 0.00024 -0.00044 0.00004 -0.00002 0.00000 188 4YZ -0.00016 -0.00041 0.00000 -0.00003 -0.00003 189 17 H 1S -0.00208 -0.00158 -0.00028 -0.00004 -0.00020 190 2S -0.00483 -0.00057 -0.00031 0.00019 -0.00033 191 18 H 1S -0.00012 0.00299 -0.00009 -0.00005 -0.00001 192 2S 0.00085 0.00553 -0.00015 -0.00013 0.00001 193 19 H 1S 0.00014 -0.00223 0.00017 0.00027 0.00021 194 2S 0.00070 -0.00597 0.00029 0.00029 0.00027 195 20 H 1S 0.00104 -0.00094 0.00062 -0.00004 0.00026 196 2S 0.01290 0.00871 0.00045 -0.00196 0.00014 197 21 C 1S -0.00090 -0.00212 -0.00014 -0.00013 -0.00022 198 2S 0.00164 0.00633 0.00024 0.00037 0.00047 199 2PX -0.00182 -0.00273 -0.00064 -0.00051 -0.00064 200 2PY -0.00067 -0.00949 0.00015 0.00088 0.00041 201 2PZ -0.00378 -0.00448 -0.00049 -0.00043 -0.00087 202 3S 0.00772 0.00549 0.00056 -0.00009 0.00056 203 3PX 0.00331 0.00083 -0.00027 -0.00072 -0.00021 204 3PY 0.00319 -0.00659 0.00019 0.00003 0.00033 205 3PZ -0.00087 0.01176 -0.00031 -0.00030 -0.00046 206 4XX 0.00000 0.00045 -0.00001 -0.00001 -0.00001 207 4YY 0.00023 0.00033 0.00002 -0.00001 0.00003 208 4ZZ -0.00008 -0.00039 -0.00002 -0.00002 -0.00004 209 4XY 0.00019 0.00146 -0.00003 0.00000 0.00003 210 4XZ -0.00021 -0.00109 -0.00002 -0.00003 -0.00006 211 4YZ 0.00017 0.00162 -0.00002 -0.00004 0.00001 212 22 H 1S 0.00069 0.00159 0.00025 0.00029 0.00038 213 2S 0.00104 -0.00842 0.00005 -0.00001 0.00039 214 23 H 1S -0.00217 -0.00499 -0.00037 -0.00028 -0.00060 215 2S -0.00406 -0.01754 -0.00024 -0.00007 -0.00069 126 127 128 129 130 126 4XY 0.00185 127 4XZ -0.00015 0.00006 128 4YZ 0.00016 -0.00019 0.00195 129 13 C 1S 0.00007 -0.00001 0.00015 2.05588 130 2S -0.00032 0.00004 -0.00028 -0.06347 0.33136 131 2PX 0.00042 0.00013 0.00065 -0.00188 0.00585 132 2PY -0.00010 -0.00001 -0.00028 0.00383 0.00245 133 2PZ 0.00038 0.00013 0.00029 -0.00083 0.00299 134 3S 0.00029 0.00016 -0.00102 -0.20651 0.31272 135 3PX 0.00053 0.00010 0.00087 0.00614 -0.01452 136 3PY 0.00043 0.00011 -0.00046 -0.01021 -0.00361 137 3PZ 0.00035 0.00007 0.00054 0.00534 -0.00134 138 4XX 0.00005 -0.00001 0.00009 -0.01198 -0.01143 139 4YY -0.00003 0.00000 -0.00001 -0.01922 0.00304 140 4ZZ -0.00003 0.00000 -0.00002 -0.01278 -0.00997 141 4XY -0.00001 0.00000 -0.00001 -0.00142 0.00304 142 4XZ 0.00005 -0.00001 0.00007 0.00284 -0.00630 143 4YZ -0.00001 0.00000 -0.00002 0.00101 -0.00194 144 14 C 1S -0.00011 -0.00001 -0.00002 0.01661 -0.03093 145 2S 0.00010 0.00007 0.00002 -0.03337 0.05743 146 2PX 0.00077 -0.00013 0.00080 0.06376 -0.12764 147 2PY 0.00024 0.00009 0.00001 0.02727 -0.06242 148 2PZ 0.00076 -0.00005 0.00096 -0.03648 0.07600 149 3S 0.00011 -0.00006 0.00019 0.01473 0.00770 150 3PX 0.00070 -0.00001 0.00055 0.00613 -0.02920 151 3PY 0.00002 0.00000 0.00006 0.00667 -0.01128 152 3PZ 0.00072 -0.00016 0.00105 0.00610 0.00234 153 4XX -0.00003 -0.00001 -0.00001 -0.00286 0.00532 154 4YY -0.00001 0.00000 -0.00001 0.00245 -0.00591 155 4ZZ -0.00001 0.00000 0.00000 -0.00068 0.00089 156 4XY 0.00002 0.00000 0.00000 -0.00310 0.00586 157 4XZ 0.00001 0.00000 0.00002 0.00415 -0.00779 158 4YZ -0.00004 -0.00001 -0.00004 0.00245 -0.00443 159 15 C 1S 0.00018 -0.00001 0.00006 -0.00481 0.01206 160 2S -0.00040 -0.00001 -0.00015 0.01159 -0.02776 161 2PX 0.00034 -0.00005 -0.00004 -0.00660 0.01693 162 2PY -0.00051 -0.00009 -0.00018 -0.01019 0.03248 163 2PZ -0.00073 -0.00016 -0.00069 0.00881 -0.01684 164 3S -0.00055 0.00015 -0.00133 0.00543 -0.03023 165 3PX 0.00003 -0.00010 0.00023 0.00288 0.00142 166 3PY -0.00044 0.00002 -0.00048 -0.00290 0.01487 167 3PZ -0.00075 0.00000 -0.00091 -0.00091 -0.00175 168 4XX 0.00008 -0.00001 0.00007 0.00029 -0.00032 169 4YY 0.00000 0.00001 0.00001 -0.00146 0.00318 170 4ZZ -0.00009 0.00000 -0.00005 -0.00027 0.00094 171 4XY -0.00005 0.00000 -0.00004 -0.00212 0.00454 172 4XZ 0.00006 0.00000 0.00004 0.00020 -0.00064 173 4YZ -0.00006 0.00001 -0.00006 0.00113 -0.00238 174 16 C 1S -0.00037 -0.00004 -0.00027 -0.00485 0.00907 175 2S 0.00084 0.00006 0.00066 0.00907 -0.02458 176 2PX -0.00214 -0.00009 -0.00154 0.00095 0.00302 177 2PY 0.00084 0.00030 0.00026 -0.01325 0.03580 178 2PZ -0.00074 0.00005 -0.00063 -0.00701 0.01297 179 3S 0.00253 -0.00014 0.00207 0.02225 -0.03448 180 3PX -0.00031 -0.00026 -0.00007 -0.00221 0.00760 181 3PY 0.00138 -0.00009 0.00019 -0.01002 0.01433 182 3PZ -0.00019 0.00002 -0.00113 -0.00587 0.00786 183 4XX -0.00010 0.00000 -0.00012 0.00060 -0.00170 184 4YY 0.00008 0.00001 0.00004 -0.00299 0.00643 185 4ZZ 0.00006 -0.00002 0.00003 0.00080 -0.00256 186 4XY 0.00005 0.00000 0.00003 -0.00042 0.00108 187 4XZ 0.00001 0.00000 -0.00004 -0.00034 0.00056 188 4YZ 0.00005 0.00001 0.00003 0.00007 0.00038 189 17 H 1S -0.00006 0.00004 -0.00003 -0.06339 0.11899 190 2S -0.00002 0.00012 -0.00008 -0.01474 0.02691 191 18 H 1S -0.00014 -0.00005 -0.00013 0.01289 -0.02687 192 2S -0.00028 -0.00010 -0.00011 0.01717 -0.02960 193 19 H 1S 0.00000 0.00000 0.00010 -0.00892 0.02090 194 2S -0.00001 0.00000 0.00013 -0.01359 0.02920 195 20 H 1S 0.00074 0.00024 0.00044 -0.00895 0.02085 196 2S -0.00225 0.00057 -0.00067 -0.01155 0.02975 197 21 C 1S -0.00001 0.00000 0.00000 0.01239 -0.02252 198 2S -0.00001 -0.00001 -0.00002 -0.02352 0.04064 199 2PX -0.00030 -0.00008 -0.00027 -0.01370 0.02561 200 2PY 0.00008 -0.00011 0.00049 0.05293 -0.11431 201 2PZ 0.00000 0.00003 0.00006 0.04216 -0.08692 202 3S -0.00060 -0.00011 0.00006 0.00484 0.01016 203 3PX -0.00080 -0.00001 -0.00046 -0.00078 0.00570 204 3PY -0.00004 -0.00006 0.00021 0.00832 -0.02930 205 3PZ -0.00027 0.00016 -0.00051 0.00745 -0.02434 206 4XX -0.00003 0.00000 -0.00003 0.00201 -0.00424 207 4YY 0.00001 0.00001 -0.00001 -0.00355 0.00604 208 4ZZ 0.00003 -0.00001 0.00001 -0.00031 -0.00008 209 4XY -0.00006 -0.00001 -0.00003 0.00221 -0.00436 210 4XZ 0.00004 0.00000 0.00002 0.00203 -0.00388 211 4YZ -0.00006 0.00000 -0.00005 -0.00495 0.01002 212 22 H 1S 0.00000 0.00003 0.00014 0.00787 -0.01726 213 2S -0.00010 -0.00008 0.00036 0.01093 -0.01961 214 23 H 1S 0.00008 -0.00005 0.00007 0.00924 -0.02396 215 2S 0.00071 -0.00013 0.00062 0.01403 -0.03102 131 132 133 134 135 131 2PX 0.36493 132 2PY 0.01259 0.42724 133 2PZ -0.05574 -0.00473 0.35262 134 3S -0.02760 -0.02673 -0.02525 0.34826 135 3PX 0.19121 -0.01420 0.03487 -0.02863 0.12345 136 3PY 0.00868 0.13562 -0.00838 0.00099 0.00060 137 3PZ 0.02110 -0.00760 0.16583 -0.01743 0.04274 138 4XX 0.01109 0.00331 -0.00456 -0.01294 0.00519 139 4YY -0.00899 -0.01392 0.00980 0.00628 -0.00208 140 4ZZ -0.00512 0.00565 -0.00433 -0.00800 -0.00349 141 4XY 0.00718 -0.00491 -0.00270 0.00332 0.00275 142 4XZ -0.00562 -0.00313 0.00386 -0.00569 -0.00165 143 4YZ -0.00287 0.01289 0.00898 -0.00441 -0.00057 144 14 C 1S -0.06078 -0.02178 0.04384 -0.00856 -0.01218 145 2S 0.12959 0.03983 -0.09115 0.03679 0.03680 146 2PX -0.08145 -0.07812 0.23182 -0.16445 0.00115 147 2PY -0.11176 -0.01340 0.07213 -0.01462 -0.04881 148 2PZ 0.25156 0.03700 0.00976 0.03328 0.13173 149 3S 0.05527 0.07070 -0.06900 -0.03004 -0.00989 150 3PX 0.03262 -0.03497 0.10232 -0.04555 0.04186 151 3PY -0.07570 0.02112 0.03896 0.00302 -0.03888 152 3PZ 0.10301 0.00814 0.04228 -0.03367 0.05937 153 4XX -0.00576 0.00508 -0.00738 0.00594 -0.00453 154 4YY -0.00620 -0.01054 0.00518 -0.00498 -0.00198 155 4ZZ 0.00259 0.00208 0.00936 -0.00067 0.00330 156 4XY 0.00403 -0.00533 -0.00570 0.00785 0.00115 157 4XZ -0.00543 -0.00702 -0.00061 -0.00508 -0.00191 158 4YZ -0.00626 0.00480 0.00117 -0.00803 -0.00470 159 15 C 1S 0.00706 0.01466 -0.00217 0.01071 0.00449 160 2S -0.02539 -0.03290 0.00853 -0.03497 -0.01699 161 2PX -0.00238 0.01893 0.00602 0.04385 -0.00150 162 2PY 0.03181 0.02053 -0.02544 -0.00130 0.01818 163 2PZ -0.01121 -0.01383 -0.00561 -0.09318 -0.03877 164 3S 0.05690 -0.11051 -0.00834 -0.02762 0.03815 165 3PX -0.05259 0.01439 0.00605 0.00073 -0.03561 166 3PY -0.00911 0.03735 -0.01099 -0.00414 -0.01171 167 3PZ 0.02061 -0.00538 -0.02113 -0.03717 -0.00684 168 4XX 0.00222 -0.00025 0.00216 -0.00086 0.00327 169 4YY 0.00361 0.00440 -0.00305 0.00462 0.00050 170 4ZZ -0.00230 0.00072 -0.00105 0.00077 -0.00186 171 4XY 0.00154 0.00488 -0.00886 0.00771 -0.00016 172 4XZ -0.00035 -0.00074 0.00032 0.00031 -0.00013 173 4YZ -0.01048 -0.00275 -0.00218 -0.00203 -0.00694 174 16 C 1S 0.00095 0.01325 -0.00701 0.02225 -0.00221 175 2S 0.00302 -0.03580 0.01296 -0.03448 0.00760 176 2PX -0.07821 0.00337 -0.05018 -0.05579 -0.09069 177 2PY -0.00337 0.03928 0.00104 0.05706 -0.02306 178 2PZ -0.05018 -0.00104 -0.07580 0.05607 -0.05081 179 3S -0.05579 -0.05706 0.05607 -0.03039 -0.01283 180 3PX -0.09069 0.02306 -0.05081 -0.01282 -0.08253 181 3PY 0.03457 0.01047 0.00167 0.01145 0.01229 182 3PZ -0.04061 -0.01625 -0.05625 0.02699 -0.04128 183 4XX 0.00064 -0.00310 -0.00113 -0.00491 -0.00034 184 4YY -0.00321 0.01255 0.00349 0.00857 -0.00228 185 4ZZ 0.00277 -0.00549 -0.00251 -0.00106 0.00255 186 4XY -0.00037 0.00100 -0.00120 0.00206 0.00104 187 4XZ 0.00009 0.00165 0.00117 0.00103 0.00030 188 4YZ -0.00110 0.00053 -0.00121 0.00086 -0.00153 189 17 H 1S -0.04898 -0.25521 0.05993 0.13648 -0.00946 190 2S -0.01754 -0.20899 0.05506 0.04306 0.01126 191 18 H 1S -0.03861 0.00372 0.02926 -0.05788 -0.02140 192 2S -0.07837 0.01894 0.05448 -0.05989 -0.03823 193 19 H 1S 0.02527 0.01547 -0.01355 0.04296 0.02338 194 2S 0.05793 0.02838 -0.02455 0.04959 0.03988 195 20 H 1S -0.01221 0.02911 0.00808 0.04281 -0.01646 196 2S -0.03652 0.05780 -0.00213 0.05261 -0.03535 197 21 C 1S 0.02049 -0.04745 -0.03706 -0.00121 0.00107 198 2S -0.04682 0.09464 0.07546 0.02020 -0.00793 199 2PX 0.00589 0.04869 0.06089 0.02819 0.00323 200 2PY 0.08426 -0.17875 -0.17360 -0.07463 0.04034 201 2PZ 0.07960 -0.13634 -0.08152 -0.09527 0.02687 202 3S -0.02402 0.11341 0.07383 -0.02468 0.00393 203 3PX 0.01762 0.02014 0.03020 -0.00055 0.00695 204 3PY 0.04888 -0.08053 -0.09345 -0.00571 0.02095 205 3PZ 0.02088 -0.05972 -0.04275 -0.01528 0.00289 206 4XX 0.00658 -0.00374 -0.00424 -0.00672 0.00246 207 4YY -0.00459 -0.00468 0.00594 0.00846 -0.00170 208 4ZZ 0.00112 0.00241 -0.00544 -0.00006 -0.00013 209 4XY -0.00845 -0.00456 -0.00719 -0.00361 -0.00634 210 4XZ -0.00382 -0.00486 0.00064 -0.00170 -0.00124 211 4YZ -0.00632 0.00988 0.00069 0.00934 -0.00529 212 22 H 1S 0.01653 -0.01558 -0.02926 -0.03687 0.00848 213 2S 0.04844 -0.02670 -0.03364 -0.04455 0.01891 214 23 H 1S 0.01836 -0.01690 -0.00363 -0.03165 0.00839 215 2S 0.01334 -0.03576 -0.02834 -0.03246 0.00469 136 137 138 139 140 136 3PY 0.05500 137 3PZ -0.00415 0.08841 138 4XX -0.00008 -0.00041 0.00154 139 4YY -0.00352 0.00334 -0.00081 0.00174 140 4ZZ 0.00209 -0.00282 0.00022 -0.00043 0.00111 141 4XY -0.00110 -0.00016 0.00001 0.00010 -0.00025 142 4XZ -0.00176 0.00100 0.00009 0.00020 0.00008 143 4YZ 0.00286 0.00322 0.00006 -0.00029 0.00027 144 14 C 1S -0.00926 0.00654 -0.00330 0.00285 -0.00003 145 2S 0.02391 -0.01741 0.00590 -0.00619 -0.00054 146 2PX -0.04968 0.10591 0.00717 0.00444 -0.00132 147 2PY 0.02217 0.02986 -0.00463 0.00939 -0.00022 148 2PZ -0.00429 0.03363 0.01059 -0.00538 -0.01107 149 3S 0.01881 -0.01507 0.00778 -0.01008 0.00325 150 3PX -0.01923 0.05577 0.00510 0.00163 -0.00357 151 3PY 0.01219 0.01165 -0.00277 0.00248 0.00104 152 3PZ -0.01419 0.03289 0.00766 -0.00298 -0.00530 153 4XX 0.00107 -0.00487 -0.00029 -0.00024 0.00017 154 4YY -0.00297 0.00213 -0.00018 0.00074 -0.00004 155 4ZZ -0.00017 0.00447 -0.00004 0.00006 -0.00016 156 4XY -0.00216 -0.00268 0.00013 -0.00006 -0.00039 157 4XZ -0.00177 -0.00090 -0.00005 0.00028 0.00018 158 4YZ -0.00037 -0.00044 0.00038 -0.00020 0.00017 159 15 C 1S 0.00304 -0.00116 0.00006 -0.00137 0.00033 160 2S -0.01205 0.00372 -0.00024 0.00342 -0.00019 161 2PX -0.00833 -0.00614 0.00646 -0.00372 -0.00349 162 2PY -0.02630 -0.02220 0.00128 -0.00662 0.00092 163 2PZ -0.04483 -0.00822 0.00796 -0.00094 -0.00422 164 3S -0.03542 0.00418 0.00250 0.00368 -0.00294 165 3PX -0.01019 -0.00835 0.00306 -0.00113 -0.00131 166 3PY -0.00165 -0.01052 0.00066 -0.00399 0.00157 167 3PZ -0.02569 -0.01163 0.00663 -0.00248 -0.00314 168 4XX 0.00008 0.00124 -0.00010 0.00008 -0.00003 169 4YY 0.00262 -0.00033 0.00017 -0.00041 0.00007 170 4ZZ -0.00089 -0.00169 -0.00009 0.00003 -0.00005 171 4XY 0.00284 -0.00481 -0.00036 -0.00004 0.00000 172 4XZ 0.00053 0.00076 0.00011 -0.00023 0.00018 173 4YZ -0.00063 -0.00190 -0.00037 0.00012 0.00047 174 16 C 1S 0.01002 -0.00587 0.00060 -0.00299 0.00080 175 2S -0.01433 0.00786 -0.00170 0.00643 -0.00256 176 2PX -0.03457 -0.04061 0.00064 -0.00321 0.00277 177 2PY 0.01047 0.01625 0.00310 -0.01255 0.00549 178 2PZ -0.00167 -0.05625 -0.00113 0.00349 -0.00251 179 3S -0.01145 0.02699 -0.00491 0.00857 -0.00106 180 3PX -0.01229 -0.04128 -0.00034 -0.00228 0.00255 181 3PY -0.00374 0.00866 0.00320 -0.00519 0.00078 182 3PZ -0.00866 -0.03855 -0.00068 0.00160 -0.00101 183 4XX -0.00320 -0.00068 0.00069 -0.00038 -0.00012 184 4YY 0.00519 0.00160 -0.00038 -0.00010 0.00001 185 4ZZ -0.00078 -0.00101 -0.00012 0.00001 0.00033 186 4XY 0.00058 -0.00110 -0.00002 -0.00001 -0.00006 187 4XZ 0.00020 0.00052 0.00019 -0.00022 0.00001 188 4YZ 0.00086 0.00060 0.00005 -0.00033 0.00016 189 17 H 1S -0.07951 0.02550 -0.00857 0.01352 -0.00743 190 2S -0.05456 0.02621 -0.00561 0.01161 -0.00495 191 18 H 1S -0.00933 0.01195 0.00248 -0.00235 0.00349 192 2S -0.00846 0.01559 0.00025 -0.00069 0.00325 193 19 H 1S 0.00293 -0.01060 -0.00009 -0.00184 -0.00045 194 2S 0.00922 -0.01230 0.00043 -0.00218 -0.00148 195 20 H 1S 0.01299 0.01188 -0.00009 -0.00369 0.00170 196 2S 0.02475 0.00168 -0.00140 -0.00398 0.00255 197 21 C 1S -0.01027 -0.00275 0.00197 -0.00265 -0.00113 198 2S 0.02774 0.01298 -0.00497 0.00463 0.00172 199 2PX 0.01176 0.01871 -0.00769 0.00327 0.00244 200 2PY -0.04571 -0.08014 0.00363 0.00682 -0.00305 201 2PZ -0.04875 -0.02725 0.00562 -0.00833 0.01001 202 3S 0.02365 0.01055 -0.00145 0.00116 0.00223 203 3PX 0.00044 0.01148 -0.00249 0.00081 0.00101 204 3PY -0.01963 -0.04240 0.00141 0.00284 -0.00211 205 3PZ -0.01042 -0.01664 -0.00079 -0.00182 0.00499 206 4XX -0.00200 -0.00108 0.00070 -0.00051 0.00016 207 4YY -0.00116 0.00276 -0.00050 0.00060 -0.00049 208 4ZZ 0.00112 -0.00269 -0.00015 -0.00019 0.00036 209 4XY -0.00210 -0.00496 -0.00008 0.00025 0.00016 210 4XZ -0.00136 -0.00037 -0.00026 -0.00007 0.00065 211 4YZ 0.00247 -0.00051 -0.00027 -0.00048 0.00015 212 22 H 1S -0.00796 -0.01133 0.00497 -0.00263 0.00063 213 2S -0.01766 -0.00531 0.00637 -0.00351 -0.00087 214 23 H 1S -0.00939 -0.00847 -0.00180 -0.00181 0.00740 215 2S -0.01610 -0.01497 0.00055 -0.00312 0.00601 141 142 143 144 145 141 4XY 0.00062 142 4XZ -0.00005 0.00068 143 4YZ -0.00046 0.00010 0.00095 144 14 C 1S -0.00282 0.00455 0.00200 2.05350 145 2S 0.00566 -0.00869 -0.00420 -0.06403 0.33137 146 2PX -0.00467 0.00687 0.00690 -0.00214 -0.00416 147 2PY 0.00687 0.00404 -0.00524 0.00016 0.00369 148 2PZ 0.00707 0.00017 -0.00128 -0.00062 0.00592 149 3S 0.00258 -0.00620 -0.00069 -0.16656 0.25600 150 3PX -0.00020 0.00256 0.00192 -0.00541 0.02252 151 3PY 0.00116 0.00177 -0.00013 0.00323 -0.01831 152 3PZ 0.00205 0.00192 0.00094 0.00294 -0.01327 153 4XX -0.00034 -0.00002 0.00014 -0.01548 -0.00686 154 4YY 0.00016 0.00023 -0.00032 -0.01744 -0.00235 155 4ZZ -0.00024 0.00013 0.00049 -0.01464 -0.00826 156 4XY 0.00034 0.00012 -0.00033 0.00183 -0.00345 157 4XZ 0.00006 0.00044 -0.00027 0.00454 -0.00957 158 4YZ -0.00026 0.00012 0.00039 -0.00208 0.00382 159 15 C 1S -0.00168 -0.00002 0.00158 0.01690 -0.03343 160 2S 0.00324 -0.00005 -0.00346 -0.03343 0.05785 161 2PX 0.00009 0.00359 0.00332 -0.00499 0.01193 162 2PY -0.00814 0.00046 0.00660 0.07810 -0.16130 163 2PZ 0.00180 0.00303 0.00060 -0.00017 -0.00810 164 3S 0.00464 0.00054 -0.00576 -0.00183 0.03542 165 3PX -0.00054 0.00290 0.00202 -0.00117 -0.00667 166 3PY -0.00302 -0.00038 0.00296 0.01159 -0.04016 167 3PZ 0.00117 0.00182 0.00036 -0.00185 0.00501 168 4XX -0.00033 0.00007 0.00013 0.00281 -0.00636 169 4YY 0.00031 -0.00034 -0.00016 -0.00697 0.01254 170 4ZZ -0.00021 0.00013 0.00031 0.00264 -0.00615 171 4XY 0.00008 -0.00020 -0.00013 0.00023 0.00003 172 4XZ 0.00010 0.00001 -0.00012 -0.00085 0.00218 173 4YZ -0.00016 -0.00007 -0.00009 -0.00014 0.00014 174 16 C 1S 0.00042 -0.00034 -0.00007 -0.00481 0.01159 175 2S -0.00108 0.00056 -0.00038 0.01206 -0.02776 176 2PX 0.00037 0.00009 0.00110 0.00706 -0.02539 177 2PY 0.00100 -0.00165 0.00053 -0.01466 0.03290 178 2PZ 0.00120 0.00117 0.00121 -0.00217 0.00853 179 3S -0.00206 0.00103 -0.00086 0.01071 -0.03497 180 3PX -0.00104 0.00030 0.00154 0.00449 -0.01699 181 3PY 0.00058 -0.00020 0.00086 -0.00304 0.01205 182 3PZ 0.00110 0.00052 -0.00060 -0.00116 0.00372 183 4XX 0.00002 0.00019 -0.00005 0.00006 -0.00024 184 4YY 0.00001 -0.00022 0.00033 -0.00137 0.00342 185 4ZZ 0.00006 0.00001 -0.00016 0.00033 -0.00019 186 4XY -0.00038 -0.00007 0.00017 0.00168 -0.00324 187 4XZ 0.00007 0.00031 0.00011 -0.00002 -0.00005 188 4YZ 0.00017 -0.00011 -0.00036 -0.00158 0.00346 189 17 H 1S 0.00359 0.00054 -0.00746 0.01219 -0.02477 190 2S 0.00315 0.00096 -0.00642 0.01116 -0.01992 191 18 H 1S -0.00496 -0.00238 0.00423 -0.06256 0.11660 192 2S -0.00590 -0.00011 0.00553 -0.01360 0.02417 193 19 H 1S -0.00181 0.00009 0.00180 0.01288 -0.02651 194 2S -0.00159 -0.00035 0.00196 0.01472 -0.02540 195 20 H 1S 0.00058 -0.00092 0.00042 -0.00894 0.02001 196 2S 0.00069 -0.00156 0.00061 -0.01189 0.02558 197 21 C 1S 0.00236 0.00125 -0.00514 -0.00478 0.00984 198 2S -0.00467 -0.00242 0.00961 0.01044 -0.02368 199 2PX 0.00428 0.00654 0.00465 0.01014 -0.02595 200 2PY 0.00320 0.00182 -0.00847 -0.00122 0.00984 201 2PZ 0.00474 0.00062 -0.00352 -0.01389 0.03186 202 3S -0.00649 -0.00161 0.01206 0.02050 -0.04110 203 3PX 0.00250 0.00317 0.00239 0.00620 -0.01160 204 3PY 0.00205 0.00034 -0.00439 -0.00288 0.01050 205 3PZ 0.00260 -0.00109 -0.00266 -0.01041 0.02207 206 4XX 0.00010 -0.00025 -0.00014 -0.00145 0.00325 207 4YY 0.00005 0.00009 -0.00016 0.00095 -0.00197 208 4ZZ 0.00011 0.00009 -0.00008 -0.00023 0.00060 209 4XY -0.00008 0.00017 -0.00015 0.00115 -0.00249 210 4XZ 0.00010 0.00052 0.00009 0.00133 -0.00299 211 4YZ -0.00008 -0.00019 0.00029 -0.00069 0.00116 212 22 H 1S -0.00275 -0.00505 0.00003 -0.00834 0.01995 213 2S -0.00026 -0.00360 -0.00169 -0.01086 0.02642 214 23 H 1S 0.00218 0.00249 0.00300 0.00105 -0.00345 215 2S 0.00230 0.00373 0.00017 0.00012 -0.00154 146 147 148 149 150 146 2PX 0.37396 147 2PY -0.00817 0.41906 148 2PZ -0.04446 0.00045 0.37852 149 3S 0.04393 -0.01077 -0.02271 0.26432 150 3PX 0.15182 -0.00258 0.05816 0.01634 0.08668 151 3PY 0.00384 0.13604 -0.02126 -0.00276 -0.00755 152 3PZ 0.05147 -0.01065 0.18504 -0.00397 0.05484 153 4XX -0.00773 -0.00925 -0.00378 -0.00371 -0.00468 154 4YY 0.00622 0.01282 -0.00470 -0.00155 0.00134 155 4ZZ 0.00499 -0.00785 0.00346 -0.00579 0.00263 156 4XY -0.00612 0.00265 0.01195 -0.00471 -0.00015 157 4XZ -0.00063 0.01006 -0.00095 -0.00750 -0.00107 158 4YZ 0.01126 -0.00419 -0.00439 0.00806 0.00265 159 15 C 1S -0.00499 -0.07810 -0.00017 -0.00183 -0.00117 160 2S 0.01193 0.16130 -0.00810 0.03542 -0.00667 161 2PX 0.10558 0.01751 0.09829 0.00459 0.07477 162 2PY -0.01751 -0.31806 0.01666 -0.11755 -0.02476 163 2PZ 0.09829 -0.01666 0.13422 0.06612 0.03432 164 3S 0.00458 0.11755 0.06612 -0.01445 0.01608 165 3PX 0.07477 0.02476 0.03432 0.01608 0.03317 166 3PY -0.00660 -0.09531 -0.00410 -0.00991 -0.01626 167 3PZ 0.05778 -0.02657 0.10938 0.03627 0.03298 168 4XX -0.00053 -0.00996 -0.00098 -0.00698 0.00024 169 4YY -0.00248 0.00645 0.00115 0.01057 0.00034 170 4ZZ 0.00111 -0.00860 -0.00050 -0.00447 -0.00033 171 4XY -0.01308 0.00141 -0.00028 -0.00465 -0.00492 172 4XZ 0.00024 0.00341 -0.00030 0.00359 0.00062 173 4YZ 0.00005 0.00030 -0.01363 0.00429 -0.00376 174 16 C 1S -0.00660 0.01019 0.00882 0.00543 0.00288 175 2S 0.01693 -0.03248 -0.01684 -0.03023 0.00142 176 2PX -0.00238 -0.03181 -0.01121 0.05690 -0.05259 177 2PY -0.01893 0.02053 0.01383 0.11051 -0.01439 178 2PZ 0.00602 0.02544 -0.00561 -0.00834 0.00605 179 3S 0.04385 0.00131 -0.09318 -0.02762 0.00073 180 3PX -0.00150 -0.01818 -0.03877 0.03815 -0.03561 181 3PY 0.00833 -0.02630 0.04483 0.03542 0.01019 182 3PZ -0.00614 0.02220 -0.00821 0.00418 -0.00835 183 4XX 0.00646 -0.00128 0.00796 0.00250 0.00306 184 4YY -0.00372 0.00662 -0.00094 0.00368 -0.00113 185 4ZZ -0.00349 -0.00092 -0.00422 -0.00294 -0.00131 186 4XY -0.00009 -0.00814 -0.00180 -0.00464 0.00054 187 4XZ 0.00359 -0.00046 0.00303 0.00054 0.00290 188 4YZ -0.00332 0.00660 -0.00060 0.00576 -0.00202 189 17 H 1S 0.02916 0.03156 -0.01805 -0.06205 0.01870 190 2S 0.03480 0.05770 -0.02617 -0.05687 0.01982 191 18 H 1S 0.15490 -0.15405 -0.15067 0.12988 0.04110 192 2S 0.13610 -0.13143 -0.13517 0.05903 0.02579 193 19 H 1S -0.01715 -0.04449 0.01074 -0.06040 0.00143 194 2S -0.03286 -0.08019 0.03468 -0.06446 0.00416 195 20 H 1S -0.01118 0.03152 -0.00509 0.05362 -0.00669 196 2S -0.03472 0.05913 -0.02090 0.05628 -0.02228 197 21 C 1S -0.00634 0.00742 0.01093 0.01703 -0.00336 198 2S 0.01066 -0.01219 -0.03541 -0.03537 0.00177 199 2PX 0.00051 -0.00410 -0.03392 -0.05022 -0.00371 200 2PY -0.03563 -0.02201 0.00423 -0.06258 0.00214 201 2PZ -0.03726 0.01763 0.00608 0.06851 -0.02546 202 3S 0.04923 -0.08734 -0.01933 -0.03875 0.01728 203 3PX 0.00654 -0.00655 0.00112 -0.01814 0.00141 204 3PY -0.03783 -0.01118 0.01734 -0.03174 -0.00266 205 3PZ -0.05816 0.03821 -0.03226 0.02661 -0.03344 206 4XX -0.00042 0.00008 0.00680 0.00549 0.00018 207 4YY 0.00359 0.00075 -0.00255 -0.00310 0.00163 208 4ZZ -0.00690 -0.00106 -0.00257 -0.00030 -0.00333 209 4XY 0.00036 0.00076 -0.00700 -0.00052 -0.00243 210 4XZ 0.00194 0.00077 -0.00832 -0.00216 -0.00027 211 4YZ -0.00407 0.00063 -0.00039 0.00435 -0.00280 212 22 H 1S -0.00743 -0.00452 0.03274 0.03828 -0.00170 213 2S -0.00307 -0.00239 0.07087 0.04612 0.00372 214 23 H 1S -0.02090 0.00265 -0.03262 0.00174 -0.01675 215 2S -0.00979 0.00281 -0.01650 0.00803 -0.00721 151 152 153 154 155 151 3PY 0.05455 152 3PZ -0.01118 0.11049 153 4XX -0.00171 -0.00276 0.00095 154 4YY 0.00352 -0.00105 -0.00035 0.00112 155 4ZZ -0.00197 0.00273 0.00025 -0.00011 0.00080 156 4XY 0.00028 0.00461 0.00010 -0.00011 -0.00007 157 4XZ 0.00322 -0.00012 -0.00008 0.00045 -0.00015 158 4YZ -0.00019 0.00079 0.00002 -0.00001 -0.00003 159 15 C 1S -0.01159 -0.00185 0.00281 -0.00697 0.00264 160 2S 0.04016 0.00501 -0.00636 0.01254 -0.00615 161 2PX 0.00660 0.05778 -0.00053 -0.00248 0.00111 162 2PY -0.09531 0.02657 0.00996 -0.00645 0.00860 163 2PZ 0.00410 0.10938 -0.00098 0.00115 -0.00050 164 3S 0.00991 0.03627 -0.00698 0.01057 -0.00447 165 3PX 0.01626 0.03298 0.00024 0.00034 -0.00033 166 3PY -0.02209 0.00699 0.00360 -0.00204 0.00209 167 3PZ -0.00699 0.07588 -0.00025 -0.00107 -0.00002 168 4XX -0.00360 -0.00025 0.00029 -0.00024 0.00039 169 4YY 0.00204 -0.00107 -0.00024 -0.00017 -0.00033 170 4ZZ -0.00209 -0.00002 0.00039 -0.00033 0.00032 171 4XY -0.00033 -0.00341 0.00032 -0.00016 -0.00018 172 4XZ 0.00161 -0.00039 -0.00007 -0.00021 -0.00008 173 4YZ 0.00169 -0.00641 0.00018 0.00011 -0.00023 174 16 C 1S 0.00290 -0.00091 0.00029 -0.00146 -0.00027 175 2S -0.01487 -0.00175 -0.00032 0.00318 0.00094 176 2PX 0.00910 0.02061 0.00222 0.00361 -0.00230 177 2PY 0.03735 0.00538 0.00025 -0.00440 -0.00072 178 2PZ 0.01099 -0.02113 0.00216 -0.00305 -0.00105 179 3S 0.00414 -0.03717 -0.00086 0.00462 0.00077 180 3PX 0.01171 -0.00684 0.00327 0.00050 -0.00186 181 3PY -0.00165 0.02569 -0.00008 -0.00262 0.00089 182 3PZ 0.01052 -0.01163 0.00124 -0.00033 -0.00169 183 4XX -0.00066 0.00663 -0.00010 0.00017 -0.00009 184 4YY 0.00399 -0.00248 0.00008 -0.00041 0.00003 185 4ZZ -0.00157 -0.00314 -0.00003 0.00007 -0.00005 186 4XY -0.00302 -0.00117 0.00033 -0.00031 0.00021 187 4XZ 0.00038 0.00182 0.00007 -0.00034 0.00013 188 4YZ 0.00296 -0.00036 -0.00013 0.00016 -0.00031 189 17 H 1S 0.00220 -0.01316 -0.00207 0.00615 -0.00030 190 2S 0.00505 -0.01485 -0.00404 0.00678 -0.00054 191 18 H 1S -0.04419 -0.04701 -0.00006 -0.00144 0.00090 192 2S -0.02900 -0.03689 0.00166 -0.00090 0.00251 193 19 H 1S -0.02306 -0.00140 0.00153 0.00058 0.00144 194 2S -0.03583 0.00459 0.00254 -0.00296 0.00274 195 20 H 1S 0.02769 -0.00887 -0.00010 -0.00202 -0.00038 196 2S 0.03802 -0.02185 0.00044 -0.00194 -0.00140 197 21 C 1S 0.00178 0.00862 -0.00079 0.00082 -0.00141 198 2S -0.00177 -0.02359 0.00154 -0.00154 0.00296 199 2PX 0.00923 -0.03111 0.00059 -0.00197 0.00426 200 2PY -0.04892 -0.01396 -0.00121 0.00315 -0.00379 201 2PZ -0.00344 0.00485 -0.00382 0.00262 -0.00389 202 3S -0.02603 -0.00287 0.00251 -0.00350 0.00507 203 3PX 0.00223 -0.00347 -0.00024 -0.00101 0.00231 204 3PY -0.02454 -0.00470 -0.00004 0.00062 -0.00191 205 3PZ 0.00836 -0.02682 -0.00164 0.00194 -0.00282 206 4XX -0.00094 0.00432 -0.00027 0.00012 -0.00022 207 4YY 0.00111 -0.00154 0.00002 0.00006 0.00019 208 4ZZ -0.00046 -0.00239 0.00019 -0.00011 -0.00013 209 4XY 0.00049 -0.00288 0.00020 0.00027 -0.00029 210 4XZ 0.00085 -0.00430 0.00005 0.00003 0.00005 211 4YZ 0.00253 -0.00072 0.00035 -0.00037 -0.00002 212 22 H 1S -0.01025 0.02380 -0.00093 0.00095 -0.00214 213 2S -0.00928 0.04475 -0.00185 0.00093 -0.00190 214 23 H 1S 0.00108 -0.02315 -0.00060 -0.00008 0.00024 215 2S 0.00083 -0.00888 -0.00017 0.00005 -0.00083 156 157 158 159 160 156 4XY 0.00112 157 4XZ 0.00029 0.00077 158 4YZ -0.00050 -0.00029 0.00107 159 15 C 1S -0.00023 -0.00085 0.00014 2.05350 160 2S -0.00003 0.00218 -0.00014 -0.06403 0.33137 161 2PX 0.01308 0.00024 -0.00005 -0.00214 -0.00416 162 2PY 0.00141 -0.00341 0.00030 -0.00016 -0.00369 163 2PZ 0.00028 -0.00030 0.01363 -0.00062 0.00592 164 3S 0.00465 0.00359 -0.00429 -0.16656 0.25600 165 3PX 0.00492 0.00062 0.00376 -0.00541 0.02252 166 3PY -0.00033 -0.00161 0.00169 -0.00323 0.01831 167 3PZ 0.00341 -0.00039 0.00641 0.00294 -0.01328 168 4XX -0.00032 -0.00007 -0.00018 -0.01548 -0.00686 169 4YY 0.00016 -0.00021 -0.00011 -0.01744 -0.00235 170 4ZZ 0.00018 -0.00008 0.00023 -0.01464 -0.00826 171 4XY 0.00044 0.00000 -0.00057 -0.00183 0.00345 172 4XZ 0.00000 0.00013 -0.00008 0.00454 -0.00957 173 4YZ -0.00057 0.00008 0.00041 0.00208 -0.00382 174 16 C 1S 0.00212 0.00020 -0.00113 0.01661 -0.03337 175 2S -0.00454 -0.00064 0.00238 -0.03093 0.05743 176 2PX -0.00154 -0.00035 0.01048 -0.06078 0.12959 177 2PY 0.00488 0.00074 -0.00275 0.02178 -0.03983 178 2PZ 0.00886 0.00032 0.00218 0.04384 -0.09115 179 3S -0.00771 0.00031 0.00203 -0.00856 0.03679 180 3PX 0.00016 -0.00013 0.00694 -0.01218 0.03680 181 3PY 0.00284 -0.00053 -0.00063 0.00926 -0.02391 182 3PZ 0.00481 0.00076 0.00190 0.00654 -0.01741 183 4XX 0.00036 0.00011 0.00037 -0.00330 0.00590 184 4YY 0.00004 -0.00023 -0.00012 0.00285 -0.00619 185 4ZZ 0.00000 0.00018 -0.00047 -0.00003 -0.00054 186 4XY 0.00008 -0.00010 -0.00016 0.00282 -0.00566 187 4XZ 0.00020 0.00001 0.00007 0.00455 -0.00869 188 4YZ -0.00013 0.00012 -0.00009 -0.00200 0.00420 189 17 H 1S 0.00403 0.00205 -0.00433 -0.00894 0.02001 190 2S 0.00129 0.00317 -0.00398 -0.01189 0.02558 191 18 H 1S -0.00998 -0.00774 0.00984 0.01288 -0.02651 192 2S -0.00889 -0.00510 0.00904 0.01472 -0.02540 193 19 H 1S 0.00576 -0.00056 -0.00543 -0.06256 0.11660 194 2S 0.00542 -0.00159 -0.00531 -0.01360 0.02417 195 20 H 1S 0.00189 0.00009 -0.00132 0.01219 -0.02477 196 2S 0.00171 0.00018 -0.00109 0.01116 -0.01992 197 21 C 1S 0.00099 0.00105 -0.00047 -0.00478 0.00984 198 2S -0.00232 -0.00246 0.00091 0.01044 -0.02368 199 2PX -0.00209 -0.00236 0.00075 0.01014 -0.02595 200 2PY 0.00474 0.00427 -0.00217 0.00122 -0.00984 201 2PZ 0.00337 0.00586 -0.00329 -0.01389 0.03186 202 3S -0.00227 -0.00353 0.00296 0.02050 -0.04110 203 3PX -0.00052 -0.00113 0.00075 0.00620 -0.01160 204 3PY 0.00381 0.00168 -0.00221 0.00288 -0.01050 205 3PZ 0.00028 0.00281 -0.00317 -0.01041 0.02207 206 4XX 0.00024 0.00018 0.00003 -0.00145 0.00325 207 4YY 0.00008 -0.00011 -0.00008 0.00095 -0.00197 208 4ZZ -0.00018 0.00001 -0.00011 -0.00023 0.00060 209 4XY 0.00000 0.00023 0.00042 -0.00115 0.00249 210 4XZ -0.00001 0.00028 -0.00018 0.00133 -0.00299 211 4YZ 0.00016 -0.00024 0.00010 0.00069 -0.00116 212 22 H 1S 0.00132 0.00125 -0.00026 -0.00834 0.01995 213 2S 0.00220 0.00103 0.00046 -0.01086 0.02642 214 23 H 1S -0.00013 0.00159 -0.00129 0.00105 -0.00345 215 2S 0.00078 0.00235 -0.00096 0.00012 -0.00154 161 162 163 164 165 161 2PX 0.37396 162 2PY 0.00817 0.41906 163 2PZ -0.04446 -0.00045 0.37852 164 3S 0.04393 0.01077 -0.02271 0.26432 165 3PX 0.15182 0.00258 0.05816 0.01634 0.08668 166 3PY -0.00384 0.13604 0.02126 0.00276 0.00755 167 3PZ 0.05147 0.01065 0.18504 -0.00397 0.05484 168 4XX -0.00773 0.00925 -0.00378 -0.00371 -0.00468 169 4YY 0.00622 -0.01282 -0.00470 -0.00155 0.00134 170 4ZZ 0.00499 0.00785 0.00346 -0.00579 0.00263 171 4XY 0.00612 0.00265 -0.01195 0.00471 0.00015 172 4XZ -0.00063 -0.01006 -0.00095 -0.00750 -0.00107 173 4YZ -0.01126 -0.00419 0.00439 -0.00806 -0.00265 174 16 C 1S 0.06376 -0.02727 -0.03648 0.01473 0.00613 175 2S -0.12764 0.06242 0.07600 0.00770 -0.02920 176 2PX -0.08145 0.11176 0.25156 0.05527 0.03262 177 2PY 0.07812 -0.01340 -0.03700 -0.07070 0.03497 178 2PZ 0.23182 -0.07213 0.00976 -0.06900 0.10232 179 3S -0.16445 0.01462 0.03328 -0.03004 -0.04555 180 3PX 0.00115 0.04881 0.13173 -0.00989 0.04186 181 3PY 0.04968 0.02217 0.00429 -0.01881 0.01923 182 3PZ 0.10591 -0.02986 0.03363 -0.01507 0.05577 183 4XX 0.00717 0.00463 0.01059 0.00778 0.00510 184 4YY 0.00444 -0.00939 -0.00538 -0.01008 0.00163 185 4ZZ -0.00132 0.00022 -0.01107 0.00325 -0.00357 186 4XY 0.00467 0.00687 -0.00707 -0.00258 0.00020 187 4XZ 0.00687 -0.00404 0.00017 -0.00620 0.00256 188 4YZ -0.00690 -0.00524 0.00128 0.00069 -0.00192 189 17 H 1S -0.01118 -0.03151 -0.00509 0.05362 -0.00669 190 2S -0.03472 -0.05913 -0.02090 0.05628 -0.02228 191 18 H 1S -0.01715 0.04449 0.01074 -0.06040 0.00143 192 2S -0.03286 0.08019 0.03468 -0.06446 0.00416 193 19 H 1S 0.15490 0.15405 -0.15067 0.12988 0.04110 194 2S 0.13610 0.13143 -0.13517 0.05903 0.02579 195 20 H 1S 0.02916 -0.03156 -0.01805 -0.06205 0.01870 196 2S 0.03480 -0.05770 -0.02617 -0.05687 0.01982 197 21 C 1S -0.00634 -0.00742 0.01093 0.01703 -0.00336 198 2S 0.01066 0.01219 -0.03541 -0.03537 0.00177 199 2PX 0.00051 0.00410 -0.03392 -0.05022 -0.00371 200 2PY 0.03563 -0.02201 -0.00423 0.06258 -0.00214 201 2PZ -0.03726 -0.01763 0.00608 0.06851 -0.02546 202 3S 0.04923 0.08734 -0.01933 -0.03876 0.01728 203 3PX 0.00654 0.00655 0.00112 -0.01814 0.00141 204 3PY 0.03783 -0.01118 -0.01734 0.03174 0.00266 205 3PZ -0.05816 -0.03821 -0.03226 0.02661 -0.03344 206 4XX -0.00042 -0.00008 0.00680 0.00549 0.00018 207 4YY 0.00359 -0.00075 -0.00255 -0.00310 0.00163 208 4ZZ -0.00690 0.00106 -0.00257 -0.00030 -0.00333 209 4XY -0.00036 0.00076 0.00700 0.00052 0.00243 210 4XZ 0.00194 -0.00077 -0.00832 -0.00216 -0.00027 211 4YZ 0.00407 0.00063 0.00039 -0.00435 0.00280 212 22 H 1S -0.00743 0.00452 0.03274 0.03828 -0.00170 213 2S -0.00307 0.00239 0.07087 0.04612 0.00372 214 23 H 1S -0.02090 -0.00265 -0.03262 0.00174 -0.01675 215 2S -0.00979 -0.00281 -0.01650 0.00803 -0.00721 166 167 168 169 170 166 3PY 0.05455 167 3PZ 0.01118 0.11049 168 4XX 0.00171 -0.00276 0.00095 169 4YY -0.00352 -0.00105 -0.00035 0.00112 170 4ZZ 0.00197 0.00273 0.00025 -0.00011 0.00080 171 4XY 0.00028 -0.00461 -0.00010 0.00011 0.00007 172 4XZ -0.00322 -0.00012 -0.00008 0.00045 -0.00015 173 4YZ -0.00019 -0.00079 -0.00002 0.00001 0.00003 174 16 C 1S -0.00667 0.00610 -0.00286 0.00245 -0.00068 175 2S 0.01128 0.00234 0.00532 -0.00591 0.00089 176 2PX 0.07570 0.10301 -0.00576 -0.00620 0.00259 177 2PY 0.02112 -0.00814 -0.00508 0.01054 -0.00208 178 2PZ -0.03896 0.04228 -0.00738 0.00518 0.00936 179 3S -0.00302 -0.03366 0.00594 -0.00498 -0.00067 180 3PX 0.03888 0.05937 -0.00453 -0.00198 0.00330 181 3PY 0.01219 0.01419 -0.00107 0.00297 0.00017 182 3PZ -0.01165 0.03289 -0.00487 0.00213 0.00447 183 4XX 0.00277 0.00766 -0.00029 -0.00018 -0.00004 184 4YY -0.00248 -0.00298 -0.00024 0.00074 0.00006 185 4ZZ -0.00104 -0.00530 0.00017 -0.00004 -0.00016 186 4XY 0.00116 -0.00205 0.00034 -0.00016 0.00024 187 4XZ -0.00177 0.00192 -0.00002 0.00023 0.00013 188 4YZ -0.00013 -0.00094 -0.00014 0.00032 -0.00049 189 17 H 1S -0.02769 -0.00887 -0.00010 -0.00202 -0.00038 190 2S -0.03802 -0.02184 0.00044 -0.00194 -0.00140 191 18 H 1S 0.02306 -0.00140 0.00153 0.00058 0.00144 192 2S 0.03583 0.00459 0.00254 -0.00296 0.00274 193 19 H 1S 0.04419 -0.04701 -0.00006 -0.00144 0.00090 194 2S 0.02900 -0.03688 0.00166 -0.00090 0.00251 195 20 H 1S -0.00220 -0.01316 -0.00207 0.00615 -0.00030 196 2S -0.00505 -0.01485 -0.00404 0.00678 -0.00054 197 21 C 1S -0.00178 0.00862 -0.00079 0.00082 -0.00141 198 2S 0.00177 -0.02359 0.00154 -0.00154 0.00296 199 2PX -0.00923 -0.03111 0.00059 -0.00197 0.00426 200 2PY -0.04892 0.01396 0.00121 -0.00315 0.00379 201 2PZ 0.00344 0.00485 -0.00382 0.00262 -0.00389 202 3S 0.02603 -0.00287 0.00251 -0.00350 0.00507 203 3PX -0.00223 -0.00347 -0.00024 -0.00101 0.00231 204 3PY -0.02454 0.00471 0.00004 -0.00062 0.00191 205 3PZ -0.00836 -0.02682 -0.00164 0.00194 -0.00282 206 4XX 0.00094 0.00432 -0.00027 0.00012 -0.00022 207 4YY -0.00111 -0.00154 0.00002 0.00006 0.00019 208 4ZZ 0.00046 -0.00239 0.00019 -0.00011 -0.00013 209 4XY 0.00049 0.00288 -0.00020 -0.00027 0.00029 210 4XZ -0.00085 -0.00430 0.00005 0.00003 0.00005 211 4YZ 0.00253 0.00072 -0.00035 0.00037 0.00002 212 22 H 1S 0.01025 0.02380 -0.00093 0.00095 -0.00214 213 2S 0.00928 0.04475 -0.00185 0.00093 -0.00190 214 23 H 1S -0.00108 -0.02315 -0.00060 -0.00008 0.00024 215 2S -0.00083 -0.00888 -0.00017 0.00005 -0.00083 171 172 173 174 175 171 4XY 0.00112 172 4XZ -0.00029 0.00077 173 4YZ -0.00050 0.00029 0.00107 174 16 C 1S 0.00310 0.00415 -0.00245 2.05588 175 2S -0.00586 -0.00779 0.00443 -0.06347 0.33136 176 2PX -0.00403 -0.00543 0.00626 -0.00188 0.00585 177 2PY -0.00533 0.00702 0.00480 -0.00383 -0.00245 178 2PZ 0.00570 -0.00061 -0.00117 -0.00083 0.00299 179 3S -0.00785 -0.00508 0.00803 -0.20651 0.31272 180 3PX -0.00115 -0.00191 0.00470 0.00614 -0.01452 181 3PY -0.00216 0.00177 -0.00037 0.01021 0.00362 182 3PZ 0.00268 -0.00090 0.00044 0.00534 -0.00134 183 4XX -0.00013 -0.00005 -0.00038 -0.01198 -0.01143 184 4YY 0.00006 0.00028 0.00020 -0.01922 0.00304 185 4ZZ 0.00039 0.00018 -0.00017 -0.01278 -0.00997 186 4XY 0.00034 -0.00006 -0.00026 0.00142 -0.00304 187 4XZ -0.00012 0.00044 -0.00012 0.00284 -0.00630 188 4YZ -0.00033 0.00027 0.00039 -0.00101 0.00194 189 17 H 1S -0.00189 0.00009 0.00132 -0.00895 0.02085 190 2S -0.00171 0.00018 0.00109 -0.01155 0.02975 191 18 H 1S -0.00576 -0.00056 0.00543 -0.00892 0.02090 192 2S -0.00542 -0.00159 0.00531 -0.01359 0.02920 193 19 H 1S 0.00998 -0.00774 -0.00984 0.01289 -0.02687 194 2S 0.00889 -0.00510 -0.00904 0.01717 -0.02960 195 20 H 1S -0.00403 0.00205 0.00433 -0.06339 0.11899 196 2S -0.00129 0.00317 0.00398 -0.01474 0.02691 197 21 C 1S -0.00099 0.00105 0.00047 0.01239 -0.02252 198 2S 0.00232 -0.00246 -0.00091 -0.02352 0.04064 199 2PX 0.00209 -0.00236 -0.00075 -0.01370 0.02561 200 2PY 0.00474 -0.00427 -0.00217 -0.05293 0.11431 201 2PZ -0.00337 0.00586 0.00329 0.04216 -0.08692 202 3S 0.00227 -0.00353 -0.00296 0.00484 0.01016 203 3PX 0.00052 -0.00113 -0.00075 -0.00078 0.00570 204 3PY 0.00381 -0.00168 -0.00221 -0.00832 0.02930 205 3PZ -0.00028 0.00281 0.00317 0.00745 -0.02434 206 4XX -0.00024 0.00018 -0.00003 0.00201 -0.00424 207 4YY -0.00008 -0.00011 0.00008 -0.00355 0.00604 208 4ZZ 0.00018 0.00001 0.00011 -0.00031 -0.00008 209 4XY 0.00000 -0.00023 0.00042 -0.00221 0.00436 210 4XZ 0.00001 0.00028 0.00018 0.00203 -0.00388 211 4YZ 0.00016 0.00024 0.00010 0.00495 -0.01002 212 22 H 1S -0.00132 0.00125 0.00026 0.00787 -0.01726 213 2S -0.00220 0.00103 -0.00046 0.01093 -0.01961 214 23 H 1S 0.00013 0.00159 0.00129 0.00924 -0.02396 215 2S -0.00078 0.00235 0.00096 0.01403 -0.03102 176 177 178 179 180 176 2PX 0.36493 177 2PY -0.01259 0.42724 178 2PZ -0.05574 0.00473 0.35262 179 3S -0.02760 0.02674 -0.02525 0.34826 180 3PX 0.19121 0.01420 0.03487 -0.02863 0.12345 181 3PY -0.00868 0.13562 0.00838 -0.00098 -0.00060 182 3PZ 0.02110 0.00760 0.16583 -0.01743 0.04274 183 4XX 0.01109 -0.00331 -0.00456 -0.01294 0.00519 184 4YY -0.00899 0.01392 0.00980 0.00628 -0.00208 185 4ZZ -0.00512 -0.00565 -0.00433 -0.00800 -0.00349 186 4XY -0.00718 -0.00491 0.00270 -0.00332 -0.00275 187 4XZ -0.00562 0.00313 0.00386 -0.00569 -0.00165 188 4YZ 0.00287 0.01289 -0.00898 0.00441 0.00057 189 17 H 1S -0.01221 -0.02911 0.00808 0.04281 -0.01646 190 2S -0.03652 -0.05780 -0.00213 0.05261 -0.03535 191 18 H 1S 0.02527 -0.01547 -0.01355 0.04296 0.02338 192 2S 0.05793 -0.02838 -0.02455 0.04959 0.03988 193 19 H 1S -0.03861 -0.00372 0.02926 -0.05788 -0.02140 194 2S -0.07837 -0.01894 0.05448 -0.05989 -0.03823 195 20 H 1S -0.04898 0.25521 0.05992 0.13648 -0.00946 196 2S -0.01754 0.20899 0.05506 0.04306 0.01126 197 21 C 1S 0.02049 0.04745 -0.03706 -0.00121 0.00107 198 2S -0.04682 -0.09464 0.07546 0.02020 -0.00793 199 2PX 0.00589 -0.04870 0.06089 0.02819 0.00323 200 2PY -0.08426 -0.17875 0.17360 0.07463 -0.04034 201 2PZ 0.07960 0.13634 -0.08152 -0.09527 0.02687 202 3S -0.02402 -0.11341 0.07383 -0.02468 0.00393 203 3PX 0.01762 -0.02014 0.03020 -0.00055 0.00695 204 3PY -0.04888 -0.08053 0.09345 0.00571 -0.02095 205 3PZ 0.02088 0.05972 -0.04275 -0.01528 0.00289 206 4XX 0.00658 0.00374 -0.00424 -0.00672 0.00246 207 4YY -0.00459 0.00468 0.00594 0.00846 -0.00170 208 4ZZ 0.00112 -0.00241 -0.00544 -0.00006 -0.00013 209 4XY 0.00845 -0.00456 0.00719 0.00361 0.00634 210 4XZ -0.00382 0.00486 0.00064 -0.00170 -0.00124 211 4YZ 0.00632 0.00988 -0.00069 -0.00934 0.00529 212 22 H 1S 0.01653 0.01558 -0.02926 -0.03687 0.00848 213 2S 0.04844 0.02670 -0.03364 -0.04455 0.01891 214 23 H 1S 0.01836 0.01690 -0.00363 -0.03165 0.00839 215 2S 0.01334 0.03576 -0.02834 -0.03246 0.00469 181 182 183 184 185 181 3PY 0.05500 182 3PZ 0.00415 0.08841 183 4XX 0.00008 -0.00041 0.00154 184 4YY 0.00352 0.00334 -0.00081 0.00174 185 4ZZ -0.00209 -0.00282 0.00022 -0.00043 0.00111 186 4XY -0.00110 0.00016 -0.00001 -0.00010 0.00025 187 4XZ 0.00176 0.00100 0.00009 0.00020 0.00008 188 4YZ 0.00286 -0.00322 -0.00006 0.00029 -0.00027 189 17 H 1S -0.01299 0.01188 -0.00009 -0.00369 0.00170 190 2S -0.02475 0.00168 -0.00140 -0.00398 0.00255 191 18 H 1S -0.00293 -0.01060 -0.00009 -0.00184 -0.00045 192 2S -0.00922 -0.01230 0.00043 -0.00218 -0.00148 193 19 H 1S 0.00933 0.01195 0.00248 -0.00235 0.00349 194 2S 0.00846 0.01559 0.00025 -0.00069 0.00325 195 20 H 1S 0.07951 0.02550 -0.00857 0.01352 -0.00743 196 2S 0.05456 0.02621 -0.00561 0.01161 -0.00495 197 21 C 1S 0.01027 -0.00275 0.00197 -0.00265 -0.00113 198 2S -0.02774 0.01298 -0.00497 0.00463 0.00172 199 2PX -0.01176 0.01871 -0.00769 0.00327 0.00244 200 2PY -0.04571 0.08014 -0.00363 -0.00682 0.00305 201 2PZ 0.04875 -0.02725 0.00562 -0.00833 0.01001 202 3S -0.02365 0.01055 -0.00145 0.00116 0.00223 203 3PX -0.00044 0.01148 -0.00249 0.00081 0.00101 204 3PY -0.01963 0.04240 -0.00141 -0.00284 0.00211 205 3PZ 0.01042 -0.01664 -0.00079 -0.00182 0.00499 206 4XX 0.00200 -0.00108 0.00070 -0.00051 0.00016 207 4YY 0.00116 0.00276 -0.00050 0.00060 -0.00049 208 4ZZ -0.00112 -0.00269 -0.00015 -0.00019 0.00036 209 4XY -0.00210 0.00496 0.00008 -0.00025 -0.00016 210 4XZ 0.00136 -0.00037 -0.00026 -0.00007 0.00065 211 4YZ 0.00247 0.00051 0.00027 0.00048 -0.00015 212 22 H 1S 0.00796 -0.01133 0.00497 -0.00263 0.00063 213 2S 0.01766 -0.00531 0.00637 -0.00351 -0.00087 214 23 H 1S 0.00939 -0.00847 -0.00180 -0.00181 0.00740 215 2S 0.01610 -0.01497 0.00055 -0.00312 0.00601 186 187 188 189 190 186 4XY 0.00062 187 4XZ 0.00005 0.00068 188 4YZ -0.00046 -0.00010 0.00095 189 17 H 1S -0.00058 -0.00092 -0.00042 0.21329 190 2S -0.00069 -0.00156 -0.00061 0.15226 0.13687 191 18 H 1S 0.00181 0.00009 -0.00180 -0.01567 -0.01675 192 2S 0.00159 -0.00035 -0.00196 -0.01747 -0.02006 193 19 H 1S 0.00496 -0.00238 -0.00423 -0.00984 -0.01818 194 2S 0.00590 -0.00011 -0.00553 -0.01776 -0.02241 195 20 H 1S -0.00359 0.00054 0.00746 -0.01139 -0.02246 196 2S -0.00315 0.00096 0.00642 -0.02246 -0.03172 197 21 C 1S -0.00236 0.00125 0.00514 0.01067 0.00975 198 2S 0.00467 -0.00242 -0.00961 -0.02193 -0.01867 199 2PX -0.00428 0.00654 -0.00465 -0.00404 -0.00505 200 2PY 0.00320 -0.00182 -0.00847 0.04631 0.07845 201 2PZ -0.00474 0.00062 0.00352 0.01414 0.01812 202 3S 0.00649 -0.00161 -0.01206 -0.05409 -0.04478 203 3PX -0.00250 0.00317 -0.00239 -0.00513 -0.00484 204 3PY 0.00205 -0.00034 -0.00439 0.02630 0.03437 205 3PZ -0.00260 -0.00109 0.00266 0.01661 0.02206 206 4XX -0.00010 -0.00025 0.00014 -0.00140 -0.00072 207 4YY -0.00005 0.00009 0.00016 0.00677 0.00426 208 4ZZ -0.00011 0.00009 0.00008 -0.00225 -0.00162 209 4XY -0.00008 -0.00017 -0.00015 0.00106 0.00094 210 4XZ -0.00010 0.00052 -0.00009 0.00149 0.00129 211 4YZ -0.00008 0.00019 0.00029 -0.00221 -0.00539 212 22 H 1S 0.00275 -0.00505 -0.00003 -0.00923 -0.00573 213 2S 0.00026 -0.00360 0.00169 -0.00712 -0.00702 214 23 H 1S -0.00218 0.00249 -0.00300 -0.00518 -0.00203 215 2S -0.00230 0.00373 -0.00017 -0.00145 -0.00294 191 192 193 194 195 191 18 H 1S 0.21483 192 2S 0.16355 0.14590 193 19 H 1S -0.01578 -0.01601 0.21483 194 2S -0.01601 -0.01873 0.16355 0.14590 195 20 H 1S -0.00984 -0.01777 -0.01567 -0.01747 0.21329 196 2S -0.01818 -0.02241 -0.01675 -0.02006 0.15226 197 21 C 1S -0.00796 -0.00987 -0.00796 -0.00987 0.01067 198 2S 0.01746 0.02282 0.01746 0.02281 -0.02193 199 2PX 0.01113 0.02349 0.01113 0.02349 -0.00404 200 2PY -0.02208 -0.04540 0.02208 0.04540 -0.04631 201 2PZ -0.02496 -0.04513 -0.02496 -0.04513 0.01414 202 3S 0.04657 0.05248 0.04657 0.05248 -0.05409 203 3PX 0.00339 0.00984 0.00340 0.00984 -0.00513 204 3PY -0.02278 -0.03508 0.02278 0.03508 -0.02630 205 3PZ -0.02124 -0.03041 -0.02124 -0.03041 0.01661 206 4XX -0.00177 -0.00270 -0.00177 -0.00270 -0.00140 207 4YY 0.00101 0.00131 0.00101 0.00131 0.00677 208 4ZZ -0.00072 -0.00056 -0.00072 -0.00056 -0.00225 209 4XY 0.00154 0.00226 -0.00154 -0.00226 -0.00106 210 4XZ 0.00148 0.00105 0.00148 0.00105 0.00149 211 4YZ -0.00048 0.00042 0.00048 -0.00042 0.00221 212 22 H 1S -0.00900 -0.01771 -0.00900 -0.01771 -0.00923 213 2S -0.01792 -0.02384 -0.01792 -0.02384 -0.00712 214 23 H 1S -0.00157 -0.00570 -0.00157 -0.00570 -0.00518 215 2S -0.00398 -0.00896 -0.00398 -0.00896 -0.00145 196 197 198 199 200 196 2S 0.13687 197 21 C 1S 0.00975 2.05183 198 2S -0.01867 -0.05486 0.31004 199 2PX -0.00505 0.00251 -0.00279 0.41673 200 2PY -0.07845 0.00000 0.00000 0.00000 0.37652 201 2PZ 0.01812 -0.00293 -0.00199 -0.00588 0.00000 202 3S -0.04478 -0.18941 0.28950 -0.00311 0.00000 203 3PX -0.00484 0.00220 -0.00785 0.19464 0.00000 204 3PY -0.03437 0.00000 0.00000 0.00000 0.17400 205 3PZ 0.02206 -0.00169 0.01057 0.00167 0.00000 206 4XX -0.00072 -0.01854 0.00085 -0.01437 0.00000 207 4YY 0.00426 -0.01402 -0.00803 0.00503 0.00000 208 4ZZ -0.00162 -0.01722 -0.00185 0.00884 0.00000 209 4XY -0.00094 0.00000 0.00000 0.00000 0.00857 210 4XZ 0.00129 0.00024 -0.00038 0.01750 0.00000 211 4YZ 0.00539 0.00000 0.00000 0.00000 -0.01626 212 22 H 1S -0.00573 -0.05636 0.10716 -0.25461 0.00000 213 2S -0.00702 -0.00597 0.01925 -0.20015 0.00000 214 23 H 1S -0.00203 -0.05181 0.09899 0.16107 0.00000 215 2S -0.00294 -0.00301 0.01254 0.12985 0.00000 201 202 203 204 205 201 2PZ 0.39894 202 3S -0.00386 0.31537 203 3PX 0.00848 -0.00338 0.09623 204 3PY 0.00000 0.00000 0.00000 0.08615 205 3PZ 0.17163 -0.00579 0.00029 0.00000 0.09298 206 4XX 0.01432 0.00292 -0.00567 0.00000 0.00517 207 4YY -0.01331 -0.00795 0.00201 0.00000 -0.00531 208 4ZZ 0.00523 -0.00108 0.00376 0.00000 0.00316 209 4XY 0.00000 0.00000 0.00000 0.00344 0.00000 210 4XZ 0.01311 -0.00060 0.00783 0.00000 0.00583 211 4YZ 0.00000 0.00000 0.00000 -0.00652 0.00000 212 22 H 1S 0.08490 0.10456 -0.11552 0.00000 0.03388 213 2S 0.06842 0.01980 -0.08197 0.00000 0.01462 214 23 H 1S 0.20744 0.09241 0.07687 0.00000 0.09508 215 2S 0.17650 0.00969 0.06141 0.00000 0.07279 206 207 208 209 210 206 4XX 0.00136 207 4YY -0.00067 0.00136 208 4ZZ -0.00003 -0.00014 0.00077 209 4XY 0.00000 0.00000 0.00000 0.00076 210 4XZ -0.00038 -0.00011 0.00059 0.00000 0.00164 211 4YZ 0.00000 0.00000 0.00000 -0.00019 0.00000 212 22 H 1S 0.01309 -0.00885 -0.00479 0.00000 -0.00921 213 2S 0.01118 -0.00594 -0.00438 0.00000 -0.00874 214 23 H 1S 0.00197 -0.00783 0.00673 0.00000 0.01452 215 2S 0.00105 -0.00561 0.00638 0.00000 0.01325 211 212 213 214 215 211 4YZ 0.00111 212 22 H 1S 0.00000 0.21329 213 2S 0.00000 0.15283 0.13978 214 23 H 1S 0.00000 -0.02248 -0.04184 0.20917 215 2S 0.00000 -0.04153 -0.03934 0.15546 0.13898 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05488 2 2S -0.01440 0.33152 3 2PX 0.00000 0.00000 0.38170 4 2PY 0.00000 0.00000 0.00000 0.44170 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.35287 6 3S -0.03683 0.26103 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10319 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06741 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11080 10 4XX -0.00131 -0.00375 0.00000 0.00000 0.00000 11 4YY -0.00144 -0.00045 0.00000 0.00000 0.00000 12 4ZZ -0.00112 -0.00711 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S -0.00204 0.03246 0.04617 0.02884 0.02486 17 2S -0.00101 0.01109 0.02857 0.01534 0.01536 18 3 C 1S 0.00000 -0.00076 0.00000 -0.00368 0.00000 19 2S -0.00076 0.01412 0.00000 0.04861 0.00000 20 2PX 0.00000 0.00000 0.01479 0.00000 0.00000 21 2PY -0.00368 0.04861 0.00000 0.10831 0.00000 22 2PZ 0.00000 0.00000 0.00000 0.00000 0.02369 23 3S 0.00138 -0.00495 0.00000 0.03436 0.00000 24 3PX 0.00000 0.00000 0.01962 0.00000 0.00000 25 3PY -0.00031 0.00983 0.00000 0.01602 0.00000 26 3PZ 0.00000 0.00000 0.00000 0.00000 0.03262 27 4XX 0.00000 -0.00062 0.00000 -0.00151 0.00000 28 4YY -0.00031 0.00344 0.00000 0.00225 0.00000 29 4ZZ 0.00000 -0.00053 0.00000 -0.00130 0.00000 30 4XY 0.00000 0.00000 0.00259 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00254 33 4 H 1S 0.00000 -0.00021 -0.00008 -0.00064 -0.00005 34 2S 0.00021 -0.00301 -0.00129 -0.00717 -0.00074 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00006 -0.00003 -0.00025 -0.00002 37 2PX 0.00000 -0.00006 -0.00003 -0.00015 0.00001 38 2PY 0.00000 -0.00017 -0.00007 -0.00045 -0.00002 39 2PZ 0.00000 -0.00004 0.00001 -0.00012 -0.00001 40 3S 0.00001 -0.00077 -0.00109 -0.00274 -0.00050 41 3PX 0.00002 -0.00052 0.00005 -0.00067 -0.00032 42 3PY -0.00014 0.00147 -0.00052 0.00256 0.00000 43 3PZ 0.00000 -0.00015 -0.00032 -0.00029 0.00013 44 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 45 4YY 0.00000 0.00002 0.00000 0.00009 0.00000 46 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 47 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00002 0.00001 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 52 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00003 53 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 54 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00001 55 3S 0.00000 0.00019 -0.00009 -0.00014 0.00010 56 3PX 0.00002 -0.00045 0.00026 -0.00021 -0.00064 57 3PY 0.00000 0.00008 0.00028 -0.00009 -0.00015 58 3PZ 0.00000 0.00000 -0.00004 -0.00015 0.00018 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00001 0.00000 0.00000 -0.00002 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00006 -0.00018 0.00000 -0.00009 69 2PX 0.00000 -0.00019 -0.00031 0.00000 -0.00032 70 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 71 2PZ 0.00000 -0.00009 -0.00028 0.00000 -0.00005 72 3S 0.00012 -0.00277 -0.00533 -0.00003 -0.00217 73 3PX 0.00014 -0.00282 -0.00305 -0.00002 -0.00330 74 3PY 0.00000 0.00001 0.00006 -0.00033 0.00002 75 3PZ 0.00005 -0.00098 -0.00217 -0.00001 -0.00026 76 4XX 0.00000 0.00000 0.00001 0.00000 0.00002 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00003 0.00000 0.00001 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00012 0.00028 0.00003 0.00012 84 10 C 1S 0.00000 -0.00028 -0.00076 -0.00045 -0.00046 85 2S -0.00026 0.00696 0.01438 0.00896 0.00861 86 2PX -0.00074 0.01363 0.00912 0.01375 0.01859 87 2PY -0.00042 0.00696 0.01360 0.00173 0.00891 88 2PZ -0.00046 0.00858 0.01904 0.00898 0.00070 89 3S 0.00016 0.00574 0.01506 0.00832 0.00942 90 3PX 0.00028 0.00011 0.00009 0.00257 0.00334 91 3PY -0.00011 0.00418 0.00615 0.00194 0.00426 92 3PZ 0.00011 0.00086 0.00419 0.00138 0.00111 93 4XX -0.00002 0.00039 -0.00075 0.00065 0.00048 94 4YY 0.00000 -0.00024 -0.00016 -0.00042 -0.00017 95 4ZZ -0.00001 0.00017 0.00043 0.00043 -0.00027 96 4XY -0.00009 0.00148 0.00085 0.00028 0.00167 97 4XZ -0.00005 0.00075 0.00018 0.00080 -0.00004 98 4YZ -0.00005 0.00081 0.00153 0.00013 0.00005 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 106 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 -0.00001 -0.00006 -0.00001 116 2PX 0.00000 -0.00004 -0.00002 -0.00012 -0.00004 117 2PY 0.00000 -0.00005 -0.00006 -0.00017 -0.00005 118 2PZ 0.00000 -0.00003 -0.00004 -0.00010 0.00000 119 3S 0.00000 -0.00007 0.00025 -0.00226 0.00010 120 3PX 0.00005 -0.00141 -0.00002 -0.00226 -0.00084 121 3PY 0.00004 -0.00089 -0.00052 -0.00288 -0.00064 122 3PZ 0.00004 -0.00100 -0.00084 -0.00196 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 -0.00001 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 136 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 -0.00001 -0.00003 0.00000 0.00000 180 3PX 0.00000 -0.00001 -0.00004 0.00000 0.00000 181 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00001 0.00001 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 -0.00001 -0.00008 0.00000 -0.00003 203 3PX 0.00000 -0.00006 -0.00040 0.00000 -0.00011 204 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00009 0.00000 -0.00001 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 213 2S 0.00002 -0.00022 0.00099 -0.00003 0.00074 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.46783 7 3PX 0.00000 0.10016 8 3PY 0.00000 0.00000 0.06109 9 3PZ 0.00000 0.00000 0.00000 0.11851 10 4XX -0.00144 0.00000 0.00000 0.00000 0.00077 11 4YY -0.00274 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00441 0.00000 0.00000 0.00000 0.00014 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S 0.04349 0.02302 0.00944 0.01267 0.00095 17 2S 0.00533 0.02216 0.00725 0.01167 0.00154 18 3 C 1S 0.00138 0.00000 -0.00031 0.00000 0.00000 19 2S -0.00495 0.00000 0.00983 0.00000 -0.00062 20 2PX 0.00000 0.01962 0.00000 0.00000 0.00000 21 2PY 0.03436 0.00000 0.01602 0.00000 -0.00151 22 2PZ 0.00000 0.00000 0.00000 0.03262 0.00000 23 3S -0.10064 0.00000 -0.02511 0.00000 -0.00130 24 3PX 0.00000 0.02966 0.00000 0.00000 0.00000 25 3PY -0.02511 0.00000 0.00037 0.00000 -0.00127 26 3PZ 0.00000 0.00000 0.00000 0.05159 0.00000 27 4XX -0.00130 0.00000 -0.00127 0.00000 0.00003 28 4YY 0.00387 0.00000 0.00100 0.00000 -0.00004 29 4ZZ -0.00093 0.00000 -0.00091 0.00000 0.00001 30 4XY 0.00000 0.00111 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00129 0.00000 33 4 H 1S -0.00364 -0.00047 -0.00299 -0.00032 0.00000 34 2S -0.00559 -0.00227 -0.00570 -0.00117 0.00014 35 5 C 1S -0.00007 -0.00004 0.00000 -0.00002 0.00000 36 2S 0.00003 0.00011 -0.00145 -0.00006 0.00000 37 2PX -0.00028 0.00002 -0.00029 -0.00007 0.00000 38 2PY -0.00416 -0.00048 -0.00419 -0.00013 0.00000 39 2PZ 0.00007 0.00000 -0.00004 0.00000 0.00000 40 3S 0.00036 -0.00114 -0.00446 -0.00035 0.00004 41 3PX -0.00207 0.00062 0.00032 -0.00080 0.00002 42 3PY 0.00433 -0.00028 0.00251 0.00031 -0.00010 43 3PZ 0.00025 -0.00065 0.00102 -0.00016 0.00002 44 4XX -0.00010 -0.00009 -0.00012 0.00015 0.00000 45 4YY 0.00024 -0.00003 0.00040 -0.00001 0.00000 46 4ZZ -0.00015 0.00013 -0.00019 -0.00010 0.00000 47 4XY -0.00017 0.00000 -0.00024 0.00012 0.00000 48 4XZ -0.00002 0.00000 -0.00002 0.00000 0.00000 49 4YZ -0.00008 0.00010 -0.00016 0.00005 0.00000 50 6 C 1S 0.00001 0.00003 0.00001 0.00001 0.00000 51 2S 0.00005 -0.00042 0.00005 -0.00012 0.00000 52 2PX -0.00058 0.00017 0.00015 -0.00079 0.00000 53 2PY -0.00009 -0.00011 -0.00007 -0.00021 0.00000 54 2PZ 0.00006 -0.00029 -0.00005 0.00022 0.00000 55 3S 0.00508 -0.00192 0.00245 -0.00041 0.00000 56 3PX -0.00340 0.00053 0.00013 -0.00245 -0.00001 57 3PY 0.00268 0.00066 0.00002 -0.00080 -0.00002 58 3PZ 0.00004 -0.00038 -0.00039 0.00022 0.00003 59 4XX -0.00003 -0.00001 -0.00002 0.00001 0.00000 60 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 61 4ZZ 0.00001 0.00002 0.00000 -0.00001 0.00000 62 4XY -0.00004 -0.00002 0.00001 -0.00002 0.00000 63 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 64 4YZ -0.00002 -0.00002 0.00001 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 66 2S -0.00029 0.00002 -0.00007 -0.00019 0.00000 67 8 C 1S 0.00008 0.00008 0.00000 0.00003 0.00000 68 2S -0.00231 -0.00192 -0.00002 -0.00082 0.00001 69 2PX -0.00477 -0.00208 -0.00007 -0.00275 0.00002 70 2PY 0.00002 0.00002 -0.00038 0.00000 0.00000 71 2PZ -0.00220 -0.00270 -0.00003 -0.00015 0.00003 72 3S -0.02289 -0.01093 -0.00001 -0.00267 0.00015 73 3PX -0.01182 -0.00290 -0.00013 -0.00558 0.00009 74 3PY -0.00002 0.00010 -0.00259 0.00003 0.00000 75 3PZ -0.00362 -0.00347 -0.00005 0.00004 0.00023 76 4XX 0.00005 0.00004 0.00000 0.00017 0.00000 77 4YY 0.00000 -0.00010 0.00000 -0.00005 0.00000 78 4ZZ 0.00013 0.00025 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 -0.00003 0.00000 0.00000 80 4XZ 0.00002 0.00010 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 82 9 H 1S 0.00008 0.00013 0.00002 0.00007 0.00000 83 2S 0.00230 0.00225 0.00018 0.00080 -0.00001 84 10 C 1S 0.00103 0.00037 -0.00110 0.00011 -0.00003 85 2S -0.00201 0.00303 0.00722 0.00221 0.00056 86 2PX 0.02005 -0.00063 0.00994 0.01012 -0.00045 87 2PY 0.01407 0.01020 0.00167 0.00634 0.00054 88 2PZ 0.01069 0.01032 0.00652 -0.00047 0.00041 89 3S -0.00943 0.00506 0.00483 0.00406 0.00079 90 3PX -0.00072 0.00056 0.00145 0.00292 -0.00031 91 3PY -0.00327 0.00115 0.00058 0.00140 -0.00016 92 3PZ -0.00416 0.00233 0.00196 0.00309 0.00053 93 4XX 0.00128 -0.00061 -0.00002 0.00116 0.00001 94 4YY -0.00107 -0.00037 -0.00025 -0.00028 -0.00005 95 4ZZ 0.00179 0.00153 -0.00010 -0.00054 0.00001 96 4XY 0.00161 0.00000 0.00000 0.00044 -0.00001 97 4XZ 0.00040 0.00000 0.00009 0.00003 0.00002 98 4YZ 0.00096 0.00044 0.00001 0.00002 -0.00003 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 101 2PX 0.00003 0.00000 0.00010 -0.00002 0.00000 102 2PY 0.00009 0.00002 0.00018 -0.00001 0.00000 103 2PZ 0.00003 -0.00001 0.00010 0.00000 0.00000 104 3S 0.00007 -0.00003 0.00035 -0.00001 0.00000 105 3PX 0.00043 -0.00007 0.00098 -0.00018 0.00000 106 3PY 0.00104 0.00021 0.00146 -0.00008 0.00000 107 3PZ 0.00037 -0.00014 0.00096 -0.00012 0.00000 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 109 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00002 -0.00003 0.00000 -0.00002 0.00000 115 2S -0.00076 0.00021 0.00063 0.00008 0.00000 116 2PX -0.00284 0.00007 0.00098 -0.00041 0.00000 117 2PY -0.00354 -0.00221 0.00173 -0.00170 0.00000 118 2PZ -0.00261 -0.00075 0.00113 0.00001 0.00000 119 3S 0.00043 0.00269 -0.00204 0.00171 0.00000 120 3PX -0.01379 0.00084 0.00263 -0.00182 -0.00002 121 3PY -0.01265 -0.00525 0.00295 -0.00440 -0.00011 122 3PZ -0.01221 -0.00275 0.00292 -0.00006 0.00002 123 4XX 0.00012 -0.00001 -0.00009 0.00002 0.00000 124 4YY -0.00054 -0.00033 0.00039 -0.00022 0.00000 125 4ZZ 0.00002 0.00003 0.00000 -0.00001 0.00000 126 4XY -0.00013 -0.00001 0.00013 0.00003 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00017 -0.00001 0.00015 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 135 3PX -0.00009 -0.00018 -0.00005 0.00000 0.00000 136 3PY -0.00006 -0.00016 -0.00002 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 150 3PX -0.00002 0.00002 0.00000 -0.00001 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00007 0.00000 -0.00002 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00001 0.00003 0.00000 0.00000 0.00000 176 2PX 0.00004 0.00001 -0.00001 0.00000 0.00000 177 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S -0.00006 -0.00023 -0.00003 0.00000 0.00000 180 3PX 0.00023 -0.00025 -0.00006 0.00000 0.00000 181 3PY 0.00006 -0.00003 0.00003 0.00000 0.00000 182 3PZ -0.00001 0.00000 0.00000 0.00014 0.00000 183 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 -0.00003 -0.00002 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00023 0.00007 -0.00002 -0.00002 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 -0.00002 0.00000 -0.00001 0.00000 199 2PX 0.00000 -0.00019 0.00001 -0.00008 0.00000 200 2PY 0.00002 0.00003 -0.00001 0.00000 0.00000 201 2PZ 0.00001 0.00004 0.00000 0.00000 0.00000 202 3S 0.00010 -0.00061 -0.00001 -0.00031 0.00000 203 3PX -0.00009 -0.00192 0.00002 -0.00066 0.00000 204 3PY 0.00028 0.00024 -0.00010 -0.00003 0.00000 205 3PZ 0.00007 0.00061 0.00000 -0.00021 0.00000 206 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00001 -0.00014 0.00001 -0.00013 0.00000 213 2S 0.00010 0.00417 -0.00003 0.00270 0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00001 0.00000 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00003 0.00068 13 4XY 0.00000 0.00000 0.00134 14 4XZ 0.00000 0.00000 0.00000 0.00063 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00105 16 2 H 1S -0.00059 -0.00018 0.00240 0.00156 0.00134 17 2S -0.00093 0.00044 0.00051 0.00023 0.00028 18 3 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 19 2S 0.00344 -0.00053 0.00000 0.00000 0.00000 20 2PX 0.00000 0.00000 0.00259 0.00000 0.00000 21 2PY 0.00225 -0.00130 0.00000 0.00000 0.00000 22 2PZ 0.00000 0.00000 0.00000 0.00000 0.00254 23 3S 0.00387 -0.00093 0.00000 0.00000 0.00000 24 3PX 0.00000 0.00000 0.00111 0.00000 0.00000 25 3PY 0.00100 -0.00091 0.00000 0.00000 0.00000 26 3PZ 0.00000 0.00000 0.00000 0.00000 0.00129 27 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 28 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 29 4ZZ -0.00005 0.00003 0.00000 0.00000 0.00000 30 4XY 0.00000 0.00000 -0.00024 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 33 4 H 1S 0.00002 0.00000 0.00006 0.00000 0.00003 34 2S -0.00013 0.00013 0.00026 0.00001 0.00014 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00000 0.00001 0.00000 0.00001 37 2PX 0.00001 0.00000 0.00001 0.00000 0.00002 38 2PY 0.00002 0.00000 0.00003 0.00000 0.00002 39 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 40 3S 0.00002 0.00004 0.00012 0.00001 0.00007 41 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 42 3PY 0.00007 -0.00005 0.00011 0.00000 0.00007 43 3PZ 0.00001 0.00000 0.00004 0.00000 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 -0.00001 -0.00005 -0.00001 -0.00002 56 3PX -0.00002 0.00003 -0.00003 0.00001 -0.00003 57 3PY 0.00001 0.00000 0.00001 0.00000 0.00000 58 3PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00000 0.00002 0.00000 0.00003 0.00000 70 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 72 3S 0.00000 0.00004 0.00000 0.00002 0.00000 73 3PX -0.00011 0.00024 0.00000 0.00012 0.00000 74 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 75 3PZ -0.00004 -0.00003 0.00000 0.00001 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 C 1S 0.00000 -0.00001 -0.00006 -0.00005 -0.00004 85 2S -0.00022 0.00015 0.00095 0.00075 0.00059 86 2PX -0.00012 0.00012 0.00057 0.00024 0.00091 87 2PY -0.00032 0.00005 0.00006 0.00084 0.00003 88 2PZ -0.00008 -0.00020 0.00092 0.00000 0.00007 89 3S -0.00060 0.00036 0.00050 0.00026 0.00028 90 3PX -0.00010 0.00048 0.00000 0.00000 0.00013 91 3PY 0.00009 -0.00008 -0.00012 0.00004 -0.00006 92 3PZ 0.00011 -0.00038 0.00017 0.00003 0.00001 93 4XX -0.00005 0.00000 -0.00003 0.00002 -0.00009 94 4YY 0.00002 -0.00002 0.00000 -0.00007 0.00000 95 4ZZ -0.00003 0.00000 -0.00009 0.00000 0.00000 96 4XY -0.00001 -0.00005 0.00003 0.00002 -0.00002 97 4XZ -0.00003 0.00000 -0.00001 0.00002 0.00000 98 4YZ -0.00001 0.00000 -0.00001 0.00001 0.00002 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 118 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 119 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 120 3PX 0.00013 0.00003 -0.00001 0.00000 0.00010 121 3PY 0.00039 0.00001 0.00008 -0.00004 0.00013 122 3PZ 0.00016 -0.00003 0.00010 0.00000 -0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00001 0.00001 0.00002 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21460 17 2S 0.10248 0.13803 18 3 C 1S 0.00000 0.00021 2.05488 19 2S -0.00021 -0.00301 -0.01440 0.33152 20 2PX -0.00008 -0.00129 0.00000 0.00000 0.38170 21 2PY -0.00064 -0.00717 0.00000 0.00000 0.00000 22 2PZ -0.00005 -0.00074 0.00000 0.00000 0.00000 23 3S -0.00364 -0.00559 -0.03683 0.26103 0.00000 24 3PX -0.00047 -0.00227 0.00000 0.00000 0.10319 25 3PY -0.00299 -0.00570 0.00000 0.00000 0.00000 26 3PZ -0.00032 -0.00117 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00014 -0.00131 -0.00375 0.00000 28 4YY 0.00002 -0.00013 -0.00144 -0.00045 0.00000 29 4ZZ 0.00000 0.00013 -0.00112 -0.00711 0.00000 30 4XY 0.00006 0.00026 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 32 4YZ 0.00003 0.00014 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00088 -0.00204 0.03246 0.04617 34 2S -0.00088 -0.00490 -0.00101 0.01109 0.02858 35 5 C 1S 0.00000 0.00000 0.00000 -0.00028 -0.00076 36 2S 0.00000 0.00009 -0.00026 0.00696 0.01438 37 2PX 0.00000 0.00013 -0.00074 0.01363 0.00912 38 2PY 0.00000 0.00016 -0.00042 0.00696 0.01360 39 2PZ 0.00000 0.00008 -0.00046 0.00858 0.01904 40 3S 0.00009 0.00128 0.00016 0.00574 0.01506 41 3PX 0.00006 0.00064 0.00028 0.00011 0.00009 42 3PY 0.00003 0.00037 -0.00011 0.00418 0.00615 43 3PZ 0.00003 0.00038 0.00011 0.00086 0.00419 44 4XX 0.00000 0.00000 -0.00002 0.00039 -0.00075 45 4YY 0.00000 -0.00001 0.00000 -0.00024 -0.00016 46 4ZZ 0.00000 0.00000 -0.00001 0.00017 0.00043 47 4XY 0.00000 0.00001 -0.00009 0.00148 0.00085 48 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00018 49 4YZ 0.00000 0.00000 -0.00005 0.00081 0.00153 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 -0.00001 0.00000 -0.00006 -0.00018 52 2PX 0.00000 0.00000 0.00000 -0.00019 -0.00031 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 -0.00001 0.00000 -0.00009 -0.00028 55 3S 0.00000 -0.00040 0.00012 -0.00277 -0.00533 56 3PX 0.00000 -0.00007 0.00014 -0.00282 -0.00305 57 3PY 0.00000 -0.00006 0.00000 0.00001 0.00006 58 3PZ -0.00001 -0.00016 0.00005 -0.00098 -0.00217 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00002 0.00000 0.00012 0.00028 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00010 0.00000 0.00000 -0.00001 69 2PX 0.00000 0.00027 0.00000 -0.00001 0.00000 70 2PY 0.00000 0.00002 0.00000 0.00000 -0.00001 71 2PZ 0.00000 0.00012 0.00000 0.00000 -0.00002 72 3S 0.00008 0.00239 0.00000 0.00019 -0.00009 73 3PX 0.00015 0.00252 0.00002 -0.00045 0.00026 74 3PY 0.00002 0.00011 0.00000 0.00008 0.00028 75 3PZ 0.00006 0.00098 0.00000 0.00000 -0.00004 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 -0.00015 0.00000 -0.00001 0.00000 84 10 C 1S 0.00000 0.00025 0.00000 0.00000 0.00000 85 2S -0.00015 -0.00356 0.00000 -0.00006 -0.00003 86 2PX -0.00040 -0.00611 0.00000 -0.00006 -0.00003 87 2PY -0.00002 0.00010 0.00000 -0.00017 -0.00007 88 2PZ -0.00023 -0.00341 0.00000 -0.00004 0.00001 89 3S -0.00262 -0.01062 0.00001 -0.00077 -0.00109 90 3PX -0.00034 -0.00070 0.00002 -0.00052 0.00005 91 3PY -0.00053 -0.00115 -0.00014 0.00147 -0.00052 92 3PZ -0.00078 -0.00206 0.00000 -0.00015 -0.00032 93 4XX 0.00005 0.00055 0.00000 0.00000 0.00000 94 4YY -0.00001 -0.00022 0.00000 0.00002 0.00000 95 4ZZ 0.00002 0.00025 0.00000 0.00000 0.00001 96 4XY 0.00000 -0.00005 0.00000 0.00000 -0.00001 97 4XZ 0.00004 0.00011 0.00000 0.00000 0.00000 98 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00002 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 101 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00002 102 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00006 103 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00004 104 3S 0.00000 -0.00001 0.00000 -0.00007 0.00025 105 3PX 0.00000 -0.00002 0.00005 -0.00141 -0.00002 106 3PY 0.00000 -0.00003 0.00004 -0.00089 -0.00052 107 3PZ 0.00000 -0.00001 0.00004 -0.00100 -0.00084 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 12 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 115 2S 0.00000 0.00015 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00062 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00021 0.00000 0.00000 0.00000 119 3S -0.00019 0.00035 0.00000 0.00000 0.00000 120 3PX -0.00012 0.00337 0.00000 0.00000 0.00000 121 3PY -0.00022 -0.00281 0.00000 0.00002 0.00001 122 3PZ -0.00015 0.00141 0.00000 0.00000 -0.00001 123 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00011 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00004 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.00001 -0.00003 135 3PX 0.00000 0.00000 0.00000 -0.00001 -0.00004 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00001 0.00000 0.00000 0.00000 180 3PX 0.00000 -0.00002 0.00000 0.00000 -0.00002 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 182 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00001 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00001 0.00000 -0.00001 -0.00008 203 3PX 0.00000 0.00002 0.00000 -0.00006 -0.00040 204 3PY 0.00000 -0.00002 0.00000 0.00001 0.00002 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00009 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 213 2S 0.00000 0.00002 0.00002 -0.00022 0.00099 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.44170 22 2PZ 0.00000 0.35287 23 3S 0.00000 0.00000 0.46783 24 3PX 0.00000 0.00000 0.00000 0.10016 25 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 26 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 34 2S 0.01534 0.01536 0.00533 0.02216 0.00724 35 5 C 1S -0.00045 -0.00046 0.00103 0.00037 -0.00110 36 2S 0.00897 0.00861 -0.00201 0.00303 0.00723 37 2PX 0.01375 0.01859 0.02005 -0.00063 0.00994 38 2PY 0.00173 0.00891 0.01407 0.01020 0.00167 39 2PZ 0.00898 0.00070 0.01069 0.01032 0.00653 40 3S 0.00832 0.00942 -0.00943 0.00506 0.00483 41 3PX 0.00257 0.00334 -0.00072 0.00056 0.00145 42 3PY 0.00194 0.00427 -0.00327 0.00115 0.00058 43 3PZ 0.00138 0.00111 -0.00416 0.00233 0.00197 44 4XX 0.00065 0.00048 0.00128 -0.00061 -0.00002 45 4YY -0.00042 -0.00017 -0.00107 -0.00037 -0.00025 46 4ZZ 0.00043 -0.00027 0.00179 0.00153 -0.00010 47 4XY 0.00028 0.00167 0.00161 0.00000 0.00000 48 4XZ 0.00080 -0.00004 0.00040 0.00000 0.00009 49 4YZ 0.00013 0.00005 0.00096 0.00044 0.00001 50 6 C 1S 0.00000 0.00000 0.00008 0.00008 0.00000 51 2S 0.00000 -0.00009 -0.00231 -0.00192 -0.00002 52 2PX 0.00000 -0.00032 -0.00477 -0.00208 -0.00007 53 2PY -0.00002 0.00000 0.00002 0.00002 -0.00038 54 2PZ 0.00000 -0.00005 -0.00220 -0.00270 -0.00003 55 3S -0.00003 -0.00217 -0.02289 -0.01093 -0.00001 56 3PX -0.00002 -0.00330 -0.01182 -0.00290 -0.00013 57 3PY -0.00033 0.00002 -0.00002 0.00010 -0.00259 58 3PZ -0.00001 -0.00026 -0.00362 -0.00347 -0.00005 59 4XX 0.00000 0.00002 0.00005 0.00004 0.00000 60 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 61 4ZZ 0.00000 0.00000 0.00013 0.00025 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 63 4XZ 0.00000 0.00001 0.00002 0.00010 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 65 7 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 66 2S 0.00003 0.00012 0.00230 0.00225 0.00018 67 8 C 1S 0.00000 0.00000 0.00001 0.00003 0.00001 68 2S 0.00000 0.00000 0.00005 -0.00042 0.00005 69 2PX -0.00001 -0.00003 -0.00058 0.00017 0.00015 70 2PY 0.00000 -0.00001 -0.00009 -0.00011 -0.00007 71 2PZ 0.00000 0.00001 0.00006 -0.00029 -0.00005 72 3S -0.00014 0.00010 0.00508 -0.00192 0.00245 73 3PX -0.00021 -0.00064 -0.00340 0.00053 0.00013 74 3PY -0.00009 -0.00015 0.00268 0.00066 0.00002 75 3PZ -0.00015 0.00018 0.00004 -0.00038 -0.00039 76 4XX 0.00000 0.00000 -0.00003 -0.00001 -0.00002 77 4YY 0.00000 0.00000 0.00000 -0.00001 0.00001 78 4ZZ 0.00000 0.00000 0.00001 0.00002 0.00000 79 4XY 0.00000 0.00000 -0.00004 -0.00002 0.00001 80 4XZ 0.00000 0.00000 0.00000 0.00001 -0.00001 81 4YZ 0.00000 0.00000 -0.00002 -0.00002 0.00001 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 83 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 84 10 C 1S 0.00000 0.00000 -0.00007 -0.00004 0.00000 85 2S -0.00025 -0.00002 0.00003 0.00011 -0.00145 86 2PX -0.00015 0.00001 -0.00028 0.00002 -0.00029 87 2PY -0.00045 -0.00002 -0.00416 -0.00048 -0.00419 88 2PZ -0.00012 -0.00001 0.00007 0.00000 -0.00004 89 3S -0.00274 -0.00050 0.00036 -0.00114 -0.00446 90 3PX -0.00067 -0.00032 -0.00207 0.00062 0.00032 91 3PY 0.00256 0.00000 0.00433 -0.00028 0.00251 92 3PZ -0.00029 0.00013 0.00025 -0.00065 0.00102 93 4XX -0.00001 0.00001 -0.00010 -0.00009 -0.00012 94 4YY 0.00009 0.00000 0.00024 -0.00003 0.00040 95 4ZZ -0.00001 0.00000 -0.00015 0.00013 -0.00019 96 4XY 0.00001 0.00002 -0.00017 0.00000 -0.00024 97 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 98 4YZ 0.00001 0.00000 -0.00008 0.00010 -0.00016 99 11 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 100 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 101 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 102 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 103 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 104 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 105 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 106 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 107 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 108 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 109 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 110 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 111 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 112 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 113 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00001 0.00000 0.00003 116 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 117 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 118 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 119 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 120 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 121 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 122 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00001 0.00003 0.00000 131 2PX 0.00000 0.00000 0.00004 0.00001 -0.00001 132 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 -0.00006 -0.00023 -0.00003 135 3PX 0.00000 0.00000 0.00023 -0.00025 -0.00006 136 3PY 0.00000 0.00000 0.00006 -0.00003 0.00003 137 3PZ 0.00000 0.00001 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00007 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 165 3PX 0.00000 0.00000 -0.00002 0.00002 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 -0.00002 -0.00003 0.00000 180 3PX 0.00000 0.00000 -0.00009 -0.00018 -0.00005 181 3PY 0.00000 0.00000 -0.00006 -0.00016 -0.00002 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00023 0.00007 -0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 -0.00002 -0.00003 -0.00002 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 199 2PX 0.00000 0.00000 0.00000 -0.00019 0.00001 200 2PY 0.00000 0.00000 0.00002 0.00003 -0.00001 201 2PZ 0.00000 0.00000 0.00001 0.00004 0.00000 202 3S 0.00000 -0.00003 0.00010 -0.00061 -0.00001 203 3PX 0.00000 -0.00011 -0.00009 -0.00192 0.00002 204 3PY 0.00000 0.00000 0.00028 0.00024 -0.00010 205 3PZ 0.00000 -0.00001 0.00007 0.00061 0.00000 206 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00001 -0.00014 0.00001 213 2S -0.00003 0.00074 0.00010 0.00417 -0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 26 27 28 29 30 26 3PZ 0.11851 27 4XX 0.00000 0.00077 28 4YY 0.00000 -0.00008 0.00077 29 4ZZ 0.00000 0.00014 -0.00003 0.00068 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 34 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 35 5 C 1S 0.00011 -0.00003 0.00000 -0.00001 -0.00006 36 2S 0.00221 0.00056 -0.00022 0.00015 0.00095 37 2PX 0.01012 -0.00045 -0.00012 0.00012 0.00057 38 2PY 0.00634 0.00054 -0.00032 0.00005 0.00006 39 2PZ -0.00047 0.00041 -0.00008 -0.00020 0.00092 40 3S 0.00407 0.00079 -0.00060 0.00036 0.00050 41 3PX 0.00292 -0.00031 -0.00010 0.00048 0.00000 42 3PY 0.00140 -0.00016 0.00009 -0.00008 -0.00012 43 3PZ 0.00309 0.00053 0.00011 -0.00038 0.00017 44 4XX 0.00116 0.00001 -0.00005 0.00000 -0.00003 45 4YY -0.00028 -0.00005 0.00002 -0.00002 0.00000 46 4ZZ -0.00054 0.00001 -0.00003 0.00000 -0.00009 47 4XY 0.00044 -0.00001 -0.00001 -0.00005 0.00003 48 4XZ 0.00003 0.00002 -0.00003 0.00000 -0.00001 49 4YZ 0.00002 -0.00003 -0.00001 0.00000 -0.00001 50 6 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 51 2S -0.00082 0.00001 0.00000 0.00000 0.00000 52 2PX -0.00275 0.00002 0.00000 0.00002 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ -0.00015 0.00003 0.00000 0.00000 0.00000 55 3S -0.00267 0.00015 0.00000 0.00004 0.00000 56 3PX -0.00558 0.00009 -0.00011 0.00024 0.00000 57 3PY 0.00003 0.00000 0.00000 0.00000 -0.00001 58 3PZ 0.00004 0.00023 -0.00004 -0.00003 0.00000 59 4XX 0.00017 0.00000 0.00000 0.00000 0.00000 60 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 66 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 67 8 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 68 2S -0.00012 0.00000 0.00000 0.00000 0.00000 69 2PX -0.00079 0.00000 0.00000 0.00000 0.00000 70 2PY -0.00021 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00022 0.00000 0.00000 0.00000 0.00000 72 3S -0.00041 0.00000 0.00000 -0.00001 -0.00005 73 3PX -0.00245 -0.00001 -0.00002 0.00003 -0.00003 74 3PY -0.00080 -0.00002 0.00001 0.00000 0.00001 75 3PZ 0.00022 0.00003 0.00000 -0.00001 -0.00003 76 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 79 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00019 0.00000 0.00000 0.00000 0.00000 84 10 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 85 2S -0.00006 0.00000 0.00000 0.00000 0.00001 86 2PX -0.00007 0.00000 0.00001 0.00000 0.00001 87 2PY -0.00013 0.00000 0.00002 0.00000 0.00003 88 2PZ 0.00000 0.00000 0.00001 0.00000 0.00002 89 3S -0.00035 0.00004 0.00002 0.00004 0.00012 90 3PX -0.00080 0.00002 0.00000 0.00002 0.00000 91 3PY 0.00031 -0.00010 0.00007 -0.00005 0.00011 92 3PZ -0.00016 0.00002 0.00001 0.00000 0.00004 93 4XX 0.00015 0.00000 0.00000 0.00000 0.00000 94 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 95 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00012 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 99 11 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 100 2S 0.00008 0.00000 0.00000 0.00000 0.00000 101 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 103 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 104 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 105 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 106 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 107 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 108 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 110 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00001 0.00000 0.00000 0.00000 0.00000 116 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 117 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00000 0.00000 0.00000 0.00000 120 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 121 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00014 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00005 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 0.00000 0.00000 0.00000 0.00000 199 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00031 0.00000 0.00000 0.00000 0.00000 203 3PX -0.00066 0.00000 0.00000 0.00000 0.00000 204 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 205 3PZ -0.00021 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00013 0.00000 0.00000 0.00000 0.00000 213 2S 0.00270 0.00003 -0.00001 -0.00001 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4XZ 0.00063 32 4YZ 0.00000 0.00105 33 4 H 1S 0.00156 0.00134 0.21460 34 2S 0.00023 0.00028 0.10248 0.13803 35 5 C 1S -0.00005 -0.00004 0.00000 0.00025 2.05381 36 2S 0.00075 0.00059 -0.00015 -0.00356 -0.01557 37 2PX 0.00024 0.00091 -0.00040 -0.00611 0.00000 38 2PY 0.00084 0.00003 -0.00002 0.00010 0.00000 39 2PZ 0.00000 0.00007 -0.00023 -0.00341 0.00000 40 3S 0.00026 0.00028 -0.00262 -0.01062 -0.02761 41 3PX 0.00000 0.00013 -0.00034 -0.00070 0.00000 42 3PY 0.00004 -0.00006 -0.00053 -0.00115 0.00000 43 3PZ 0.00003 0.00001 -0.00078 -0.00206 0.00000 44 4XX 0.00002 -0.00009 0.00005 0.00055 -0.00100 45 4YY -0.00007 0.00000 -0.00001 -0.00022 -0.00121 46 4ZZ 0.00000 0.00000 0.00002 0.00025 -0.00087 47 4XY 0.00002 -0.00002 0.00000 -0.00005 0.00000 48 4XZ 0.00002 0.00000 0.00004 0.00011 0.00000 49 4YZ 0.00001 0.00002 0.00000 -0.00003 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00010 -0.00029 52 2PX 0.00003 0.00000 0.00000 0.00027 -0.00095 53 2PY 0.00000 0.00000 0.00000 0.00002 -0.00044 54 2PZ 0.00001 0.00000 0.00000 0.00012 -0.00039 55 3S 0.00002 0.00000 0.00008 0.00239 0.00105 56 3PX 0.00012 0.00000 0.00015 0.00252 -0.00003 57 3PY 0.00000 -0.00002 0.00002 0.00011 -0.00095 58 3PZ 0.00001 0.00000 0.00006 0.00098 0.00021 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 63 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 64 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 -0.00015 0.00025 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 72 3S -0.00001 -0.00002 0.00000 -0.00040 -0.00004 73 3PX 0.00001 -0.00003 0.00000 -0.00007 -0.00003 74 3PY 0.00000 0.00000 0.00000 -0.00006 0.00002 75 3PZ 0.00000 -0.00001 -0.00001 -0.00016 -0.00002 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00002 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 0.00000 0.00009 0.00000 86 2PX 0.00000 0.00002 0.00000 0.00013 0.00000 87 2PY 0.00000 0.00002 0.00000 0.00016 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00008 0.00000 89 3S 0.00001 0.00007 0.00009 0.00128 0.00003 90 3PX 0.00000 0.00003 0.00006 0.00064 0.00000 91 3PY 0.00000 0.00007 0.00003 0.00037 0.00009 92 3PZ 0.00000 0.00000 0.00003 0.00038 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00000 0.00000 0.00015 -0.00015 101 2PX 0.00000 0.00001 0.00000 0.00058 -0.00002 102 2PY 0.00000 0.00001 0.00000 -0.00062 -0.00178 103 2PZ 0.00000 0.00000 0.00000 0.00021 -0.00001 104 3S 0.00000 -0.00001 -0.00019 0.00035 -0.00082 105 3PX 0.00000 0.00010 -0.00012 0.00337 -0.00006 106 3PY -0.00004 0.00013 -0.00022 -0.00281 -0.00832 107 3PZ 0.00000 -0.00001 -0.00015 0.00141 -0.00004 108 4XX 0.00000 0.00000 0.00000 0.00006 0.00001 109 4YY 0.00000 0.00000 0.00000 -0.00011 -0.00082 110 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00001 111 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00000 0.00000 -0.00002 0.00000 121 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 122 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 -0.00001 135 3PX 0.00000 0.00000 0.00000 -0.00002 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00001 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00002 0.00001 0.00000 0.00002 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.35855 37 2PX 0.00000 0.37725 38 2PY 0.00000 0.00000 0.42606 39 2PZ 0.00000 0.00000 0.00000 0.32857 40 3S 0.20695 0.00000 0.00000 0.00000 0.22567 41 3PX 0.00000 0.04912 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 -0.00339 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.07015 0.00000 44 4XX -0.00848 0.00000 0.00000 0.00000 -0.00375 45 4YY -0.00258 0.00000 0.00000 0.00000 -0.00438 46 4ZZ -0.01095 0.00000 0.00000 0.00000 -0.00507 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S -0.00030 -0.00096 -0.00040 -0.00034 0.00070 51 2S 0.00764 0.01695 0.00625 0.00584 0.00185 52 2PX 0.01776 0.01474 0.01621 0.01807 0.01814 53 2PY 0.00871 0.01683 0.00097 0.00523 0.00737 54 2PZ 0.00731 0.01832 0.00560 -0.00004 0.00700 55 3S -0.00077 0.02627 0.01340 0.00962 -0.02522 56 3PX 0.00664 0.00133 0.01072 0.01189 0.00893 57 3PY 0.00697 0.01031 0.00177 0.00288 0.00480 58 3PZ 0.00125 0.00941 0.00477 -0.00051 0.00046 59 4XX 0.00095 -0.00034 0.00079 0.00058 0.00154 60 4YY -0.00028 -0.00029 -0.00028 -0.00009 -0.00061 61 4ZZ -0.00013 -0.00025 -0.00016 -0.00011 -0.00023 62 4XY 0.00107 0.00086 0.00001 0.00074 0.00041 63 4XZ 0.00070 0.00043 0.00074 -0.00001 0.00022 64 4YZ 0.00042 0.00083 0.00001 0.00000 0.00025 65 7 H 1S -0.00017 -0.00043 -0.00002 -0.00020 -0.00293 66 2S -0.00376 -0.00566 0.00009 -0.00302 -0.00994 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 68 2S -0.00005 -0.00006 -0.00014 -0.00003 -0.00055 69 2PX -0.00003 -0.00002 -0.00001 0.00002 -0.00023 70 2PY -0.00021 -0.00020 -0.00036 -0.00002 -0.00283 71 2PZ -0.00001 -0.00002 -0.00004 0.00000 -0.00060 72 3S -0.00017 -0.00059 -0.00337 -0.00055 0.00209 73 3PX -0.00011 -0.00003 0.00000 -0.00010 0.00100 74 3PY -0.00160 -0.00097 -0.00428 -0.00019 -0.00413 75 3PZ 0.00013 -0.00009 -0.00018 0.00024 -0.00083 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 77 4YY 0.00000 0.00001 0.00001 0.00000 -0.00002 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 79 4XY 0.00001 0.00001 0.00003 0.00001 0.00009 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00001 0.00001 0.00000 0.00005 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 83 2S 0.00009 0.00013 0.00012 0.00005 0.00107 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 85 2S 0.00000 0.00000 -0.00002 0.00000 -0.00048 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY -0.00002 0.00000 -0.00006 0.00000 -0.00077 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00048 0.00000 -0.00077 0.00000 -0.00358 90 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 91 3PY -0.00129 0.00000 0.00057 0.00000 -0.00493 92 3PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 94 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S -0.00026 -0.00001 -0.00198 -0.00001 0.00154 100 2S 0.00379 0.00021 0.02886 0.00018 -0.02282 101 2PX 0.00032 0.01235 0.00175 -0.00024 0.00041 102 2PY 0.04272 0.00169 0.10300 0.00136 0.02216 103 2PZ 0.00021 -0.00024 0.00131 0.01971 0.00015 104 3S -0.01267 -0.00005 0.00881 -0.00016 -0.07513 105 3PX 0.00042 0.02139 0.00150 -0.00027 0.00089 106 3PY 0.06356 0.00139 0.05542 0.00115 0.04105 107 3PZ 0.00030 -0.00027 0.00119 0.03788 0.00029 108 4XX -0.00068 0.00002 -0.00094 0.00000 -0.00045 109 4YY 0.00785 0.00032 0.00968 0.00026 0.00588 110 4ZZ -0.00066 -0.00001 -0.00086 0.00001 -0.00056 111 4XY 0.00010 0.00381 0.00028 -0.00002 0.00004 112 4XZ 0.00000 0.00002 0.00001 0.00004 0.00000 113 4YZ 0.00006 -0.00002 0.00019 0.00454 0.00002 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 130 2S 0.00000 -0.00001 0.00000 0.00000 -0.00019 131 2PX -0.00002 -0.00002 0.00000 0.00002 -0.00015 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00006 134 3S 0.00000 -0.00070 -0.00004 -0.00023 0.00028 135 3PX -0.00057 0.00093 -0.00010 0.00060 -0.00030 136 3PY -0.00001 -0.00001 -0.00002 0.00000 -0.00001 137 3PZ -0.00011 -0.00009 0.00000 -0.00008 0.00009 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 140 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00001 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00000 -0.00009 150 3PX -0.00002 -0.00004 0.00000 0.00000 0.00011 151 3PY 0.00000 0.00001 0.00000 0.00000 0.00002 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00003 165 3PX 0.00001 0.00000 0.00001 0.00000 0.00012 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00005 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00001 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 -0.00002 0.00000 0.00000 0.00006 180 3PX 0.00003 0.00000 0.00005 -0.00002 0.00023 181 3PY -0.00001 -0.00004 -0.00002 0.00000 0.00003 182 3PZ 0.00001 0.00001 0.00000 0.00000 -0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00002 190 2S -0.00016 -0.00012 -0.00004 0.00009 0.00016 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00001 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00002 -0.00003 0.00004 -0.00006 0.00003 203 3PX -0.00014 -0.00028 -0.00011 -0.00018 -0.00004 204 3PY -0.00007 -0.00016 0.00000 0.00007 -0.00062 205 3PZ -0.00003 0.00005 -0.00001 0.00004 -0.00037 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00014 0.00010 -0.00007 0.00012 -0.00040 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 41 42 43 44 45 41 3PX 0.04066 42 3PY 0.00000 0.03597 43 3PZ 0.00000 0.00000 0.06508 44 4XX 0.00000 0.00000 0.00000 0.00216 45 4YY 0.00000 0.00000 0.00000 -0.00040 0.00226 46 4ZZ 0.00000 0.00000 0.00000 0.00032 -0.00023 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S 0.00069 0.00068 0.00029 -0.00005 0.00001 51 2S 0.00078 0.00064 -0.00087 0.00081 -0.00028 52 2PX -0.00001 0.00682 0.00427 -0.00088 -0.00017 53 2PY 0.00242 0.00261 0.00047 0.00125 -0.00037 54 2PZ 0.00399 0.00203 0.00266 0.00086 -0.00023 55 3S -0.00638 -0.00974 -0.00174 0.00376 -0.00170 56 3PX 0.00087 0.00242 0.00422 -0.00081 -0.00007 57 3PY 0.00273 0.00198 -0.00027 0.00036 -0.00034 58 3PZ 0.00157 -0.00091 0.00296 0.00165 -0.00063 59 4XX -0.00033 0.00037 0.00060 -0.00001 -0.00005 60 4YY 0.00015 0.00012 -0.00006 -0.00009 0.00002 61 4ZZ 0.00028 -0.00043 -0.00030 0.00002 -0.00002 62 4XY 0.00002 -0.00008 0.00009 -0.00002 0.00000 63 4XZ 0.00001 0.00003 0.00007 0.00001 -0.00005 64 4YZ 0.00014 -0.00007 0.00004 -0.00006 0.00000 65 7 H 1S -0.00144 -0.00055 -0.00034 0.00003 -0.00001 66 2S -0.00332 -0.00101 0.00008 0.00022 -0.00019 67 8 C 1S 0.00000 -0.00017 0.00002 0.00000 0.00000 68 2S -0.00034 0.00142 -0.00029 0.00000 0.00002 69 2PX -0.00006 0.00082 -0.00013 -0.00001 0.00001 70 2PY -0.00055 0.00202 -0.00005 -0.00002 0.00008 71 2PZ -0.00034 -0.00029 0.00019 0.00000 0.00000 72 3S -0.00067 0.00590 -0.00168 -0.00011 0.00025 73 3PX 0.00044 0.00235 -0.00059 -0.00012 0.00006 74 3PY 0.00111 0.00295 0.00033 -0.00044 0.00055 75 3PZ -0.00043 -0.00031 0.00073 0.00008 -0.00005 76 4XX 0.00000 -0.00003 0.00002 0.00000 0.00000 77 4YY 0.00000 0.00003 0.00000 0.00000 0.00000 78 4ZZ 0.00004 -0.00008 0.00001 0.00000 0.00000 79 4XY 0.00000 0.00009 0.00003 0.00000 0.00000 80 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 81 4YZ 0.00003 0.00002 0.00001 0.00000 0.00000 82 9 H 1S 0.00007 0.00000 0.00002 0.00000 0.00000 83 2S 0.00067 -0.00001 0.00023 0.00000 -0.00001 84 10 C 1S 0.00000 0.00009 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00129 0.00000 0.00000 0.00000 86 2PX -0.00014 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00057 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 -0.00008 0.00000 0.00000 89 3S 0.00000 -0.00493 0.00000 0.00001 -0.00002 90 3PX 0.00023 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 -0.00137 0.00000 0.00001 0.00010 92 3PZ 0.00000 0.00000 0.00013 0.00000 0.00000 93 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00010 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 96 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 99 11 O 1S 0.00000 0.00027 0.00000 0.00001 -0.00074 100 2S -0.00005 -0.01433 0.00001 -0.00067 0.00815 101 2PX 0.01758 -0.00030 -0.00007 0.00010 0.00029 102 2PY 0.00008 -0.00467 0.00021 -0.00145 0.00257 103 2PZ -0.00007 -0.00011 0.02349 -0.00001 0.00015 104 3S -0.00022 -0.02238 -0.00022 -0.00255 0.01163 105 3PX 0.03941 -0.00053 -0.00010 -0.00008 0.00025 106 3PY 0.00013 -0.00172 0.00029 -0.00439 0.00160 107 3PZ -0.00010 -0.00020 0.05178 -0.00002 0.00013 108 4XX -0.00002 0.00121 0.00000 0.00007 -0.00013 109 4YY 0.00006 -0.00155 0.00008 -0.00024 -0.00002 110 4ZZ 0.00000 0.00106 -0.00002 0.00002 -0.00010 111 4XY 0.00121 -0.00001 -0.00001 0.00001 0.00003 112 4XZ 0.00001 0.00000 0.00002 0.00000 0.00000 113 4YZ -0.00001 0.00000 0.00169 0.00000 0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00006 0.00000 0.00000 0.00000 120 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 -0.00014 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 130 2S -0.00059 -0.00007 -0.00009 0.00000 0.00000 131 2PX -0.00010 -0.00020 0.00015 0.00001 0.00000 132 2PY -0.00004 -0.00002 -0.00001 0.00000 0.00000 133 2PZ 0.00011 0.00004 -0.00001 0.00000 0.00000 134 3S -0.00303 -0.00007 -0.00102 0.00002 0.00000 135 3PX 0.00162 -0.00036 0.00123 0.00025 -0.00004 136 3PY -0.00016 0.00034 0.00002 0.00001 0.00000 137 3PZ 0.00015 0.00005 0.00000 0.00008 -0.00001 138 4XX 0.00010 0.00000 0.00004 0.00000 0.00000 139 4YY -0.00002 0.00000 -0.00001 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00001 0.00000 0.00000 0.00000 146 2PX -0.00001 0.00002 0.00000 0.00000 0.00000 147 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00020 -0.00001 -0.00001 0.00000 0.00000 150 3PX -0.00010 0.00012 0.00000 0.00000 0.00000 151 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 152 3PZ 0.00001 0.00000 0.00013 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00004 0.00012 0.00000 0.00000 0.00000 166 3PY 0.00005 0.00001 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2PX 0.00002 0.00001 -0.00002 0.00000 0.00000 177 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 178 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 179 3S -0.00013 0.00008 -0.00001 0.00000 0.00000 180 3PX 0.00004 0.00010 -0.00014 0.00000 0.00000 181 3PY -0.00006 0.00004 -0.00005 0.00000 0.00000 182 3PZ -0.00001 -0.00003 0.00004 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S -0.00027 0.00006 -0.00008 0.00000 0.00000 190 2S 0.00098 -0.00007 0.00012 -0.00005 0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00002 0.00000 -0.00001 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00001 0.00002 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00002 -0.00004 -0.00007 0.00000 0.00000 199 2PX -0.00002 -0.00011 -0.00006 0.00000 0.00000 200 2PY -0.00011 -0.00008 0.00003 0.00000 0.00000 201 2PZ -0.00001 -0.00011 -0.00003 0.00000 0.00000 202 3S 0.00002 -0.00026 -0.00021 0.00000 0.00000 203 3PX -0.00053 -0.00024 -0.00060 0.00001 0.00001 204 3PY -0.00045 -0.00012 0.00017 0.00000 0.00000 205 3PZ 0.00012 -0.00058 0.00006 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00008 -0.00004 0.00000 0.00000 213 2S 0.00032 -0.00047 0.00056 -0.00003 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00001 0.00002 0.00005 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00175 47 4XY 0.00000 0.00399 48 4XZ 0.00000 0.00000 0.00058 49 4YZ 0.00000 0.00000 0.00000 0.00308 50 6 C 1S 0.00000 -0.00010 -0.00004 -0.00004 2.05570 51 2S -0.00007 0.00143 0.00061 0.00065 -0.01298 52 2PX -0.00006 0.00117 0.00029 0.00154 0.00000 53 2PY 0.00013 0.00016 0.00061 0.00007 0.00000 54 2PZ -0.00015 0.00140 -0.00005 -0.00001 0.00000 55 3S 0.00025 0.00182 0.00027 0.00071 -0.04328 56 3PX 0.00085 0.00006 0.00002 0.00050 0.00000 57 3PY -0.00023 0.00003 0.00006 0.00003 0.00000 58 3PZ -0.00043 0.00045 0.00017 0.00012 0.00000 59 4XX -0.00002 -0.00001 0.00000 -0.00004 -0.00106 60 4YY -0.00002 -0.00001 -0.00004 0.00000 -0.00130 61 4ZZ 0.00001 -0.00006 0.00000 0.00000 -0.00118 62 4XY -0.00007 0.00003 -0.00001 -0.00001 0.00000 63 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 64 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 65 7 H 1S 0.00004 -0.00001 0.00006 0.00000 -0.00206 66 2S 0.00057 -0.00006 0.00020 -0.00003 -0.00110 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 -0.00051 69 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 70 2PY 0.00000 0.00001 0.00000 0.00001 -0.00252 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00010 -0.00016 -0.00002 -0.00010 0.00178 73 3PX 0.00006 0.00000 0.00000 0.00009 0.00000 74 3PY -0.00002 -0.00028 -0.00001 -0.00007 0.00038 75 3PZ -0.00002 0.00002 0.00000 0.00005 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 -0.00024 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00001 0.00000 0.00000 0.00020 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00002 0.00000 0.00000 0.00000 -0.00002 90 3PX 0.00000 -0.00004 0.00000 0.00000 0.00000 91 3PY 0.00002 0.00000 0.00000 0.00000 -0.00017 92 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00002 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 -0.00002 0.00000 -0.00001 0.00000 100 2S -0.00056 0.00017 0.00001 0.00009 0.00000 101 2PX 0.00000 0.00738 0.00003 0.00006 0.00000 102 2PY -0.00134 0.00036 0.00002 0.00015 0.00000 103 2PZ 0.00004 0.00006 0.00004 0.00633 0.00000 104 3S -0.00197 0.00007 0.00001 0.00004 0.00002 105 3PX 0.00004 0.00801 0.00003 0.00003 0.00007 106 3PY -0.00407 0.00009 0.00001 0.00003 0.00004 107 3PZ -0.00003 0.00003 0.00004 0.00667 0.00002 108 4XX 0.00002 0.00001 0.00000 0.00000 0.00000 109 4YY -0.00025 0.00004 0.00000 0.00002 0.00000 110 4ZZ 0.00006 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00061 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00001 0.00000 0.00001 0.00064 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00001 0.00001 0.00000 0.00017 135 3PX -0.00009 0.00001 0.00005 0.00001 0.00004 136 3PY 0.00000 -0.00002 0.00000 0.00000 0.00003 137 3PZ -0.00001 0.00000 -0.00001 0.00000 0.00007 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00001 0.00004 0.00000 0.00000 0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 -0.00001 0.00000 0.00000 0.00002 203 3PX -0.00001 0.00000 0.00001 0.00000 0.00001 204 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 205 3PZ 0.00001 0.00001 0.00000 0.00001 0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00005 0.00001 0.00000 0.00002 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.31847 52 2PX 0.00000 0.36791 53 2PY 0.00000 0.00000 0.42070 54 2PZ 0.00000 0.00000 0.00000 0.37981 55 3S 0.27774 0.00000 0.00000 0.00000 0.55077 56 3PX 0.00000 0.11493 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.07352 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.11624 0.00000 59 4XX -0.00669 0.00000 0.00000 0.00000 -0.00521 60 4YY -0.00140 0.00000 0.00000 0.00000 -0.00388 61 4ZZ -0.00397 0.00000 0.00000 0.00000 -0.00231 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.03267 0.01949 0.02495 0.05560 0.04489 66 2S 0.01289 0.01236 0.01318 0.03319 0.00299 67 8 C 1S -0.00051 0.00000 -0.00252 0.00000 0.00178 68 2S 0.01094 0.00000 0.03887 0.00000 -0.00336 69 2PX 0.00000 0.01207 0.00000 0.00000 0.00000 70 2PY 0.03887 0.00000 0.09866 0.00000 0.03299 71 2PZ 0.00000 0.00000 0.00000 0.00953 0.00000 72 3S -0.00336 0.00000 0.03299 0.00000 -0.09801 73 3PX 0.00000 0.01766 0.00000 0.00000 0.00000 74 3PY 0.00776 0.00000 0.02184 0.00000 -0.02984 75 3PZ 0.00000 0.00000 0.00000 0.01430 0.00000 76 4XX -0.00046 0.00000 -0.00107 0.00000 -0.00120 77 4YY 0.00319 0.00000 0.00242 0.00000 0.00425 78 4ZZ -0.00042 0.00000 -0.00117 0.00000 -0.00094 79 4XY 0.00000 0.00193 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00204 0.00000 82 9 H 1S -0.00017 -0.00003 -0.00052 -0.00008 -0.00319 83 2S -0.00288 -0.00061 -0.00607 -0.00104 -0.00518 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 85 2S -0.00005 -0.00003 -0.00021 -0.00001 -0.00017 86 2PX -0.00006 -0.00002 -0.00020 -0.00002 -0.00059 87 2PY -0.00014 -0.00001 -0.00036 -0.00004 -0.00337 88 2PZ -0.00003 0.00002 -0.00002 0.00000 -0.00055 89 3S -0.00055 -0.00023 -0.00283 -0.00060 0.00209 90 3PX -0.00034 -0.00006 -0.00055 -0.00034 -0.00067 91 3PY 0.00142 0.00082 0.00202 -0.00029 0.00590 92 3PZ -0.00029 -0.00013 -0.00005 0.00019 -0.00168 93 4XX 0.00000 -0.00001 -0.00002 0.00000 -0.00011 94 4YY 0.00002 0.00001 0.00008 0.00000 0.00025 95 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00010 96 4XY 0.00000 0.00000 0.00001 0.00000 -0.00016 97 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 98 4YZ 0.00000 0.00001 0.00001 0.00000 -0.00010 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S -0.00001 -0.00001 -0.00005 0.00000 -0.00071 101 2PX -0.00005 -0.00004 -0.00015 -0.00004 -0.00467 102 2PY -0.00003 -0.00007 -0.00012 -0.00002 -0.00287 103 2PZ -0.00002 -0.00004 -0.00004 0.00000 -0.00119 104 3S -0.00015 0.00019 -0.00205 0.00009 -0.00059 105 3PX -0.00163 -0.00043 -0.00320 -0.00088 -0.02240 106 3PY -0.00063 -0.00077 -0.00226 -0.00007 -0.00975 107 3PZ -0.00062 -0.00089 -0.00080 -0.00015 -0.00578 108 4XX 0.00000 0.00000 0.00002 0.00000 0.00006 109 4YY -0.00001 0.00000 0.00002 0.00000 -0.00041 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00010 111 4XY 0.00000 0.00001 0.00001 0.00001 -0.00028 112 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 113 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00005 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00001 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00004 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00006 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 3S 0.00000 0.00000 0.00002 0.00000 0.00008 120 3PX 0.00000 0.00000 0.00002 0.00000 0.00054 121 3PY 0.00001 0.00000 0.00005 0.00000 0.00065 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00019 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00014 130 2S -0.00015 0.00011 -0.00001 0.00016 0.00024 131 2PX 0.00009 0.00195 0.00012 0.00183 0.00128 132 2PY -0.00001 0.00010 -0.00003 0.00006 0.00037 133 2PZ 0.00012 0.00165 0.00009 0.00130 -0.00018 134 3S -0.00093 -0.00022 -0.00024 0.00109 -0.00098 135 3PX -0.00075 0.00504 0.00061 0.00833 0.00068 136 3PY 0.00011 -0.00031 0.00084 -0.00021 -0.00068 137 3PZ -0.00018 0.00687 0.00028 0.00254 -0.00350 138 4XX 0.00003 0.00003 0.00001 0.00008 0.00036 139 4YY -0.00001 -0.00002 0.00000 -0.00002 -0.00026 140 4ZZ 0.00000 0.00007 0.00000 0.00000 0.00002 141 4XY 0.00000 0.00001 0.00000 0.00001 0.00001 142 4XZ 0.00005 0.00014 0.00002 0.00007 0.00022 143 4YZ 0.00000 0.00001 0.00000 0.00001 -0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00003 0.00000 0.00000 -0.00028 146 2PX -0.00003 -0.00007 0.00000 0.00000 -0.00139 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00032 149 3S -0.00006 0.00051 0.00000 0.00014 0.00119 150 3PX -0.00113 -0.00031 0.00000 -0.00002 -0.00571 151 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 152 3PZ -0.00020 -0.00033 0.00000 0.00008 -0.00170 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00003 154 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 161 2PX 0.00000 -0.00004 0.00000 -0.00001 -0.00043 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00010 163 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00012 164 3S 0.00002 -0.00025 -0.00008 -0.00003 -0.00014 165 3PX -0.00036 -0.00221 -0.00004 -0.00037 -0.00280 166 3PY -0.00002 -0.00035 -0.00002 -0.00002 -0.00053 167 3PZ -0.00008 -0.00048 0.00006 0.00013 -0.00076 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 175 2S 0.00000 -0.00002 0.00000 -0.00001 -0.00051 176 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00037 177 2PY -0.00001 -0.00002 -0.00001 -0.00002 -0.00069 178 2PZ 0.00000 -0.00001 -0.00002 -0.00001 0.00024 179 3S -0.00010 -0.00037 0.00010 -0.00048 -0.00254 180 3PX -0.00013 -0.00065 -0.00079 -0.00108 -0.00112 181 3PY -0.00004 -0.00026 0.00053 -0.00021 -0.00153 182 3PZ -0.00007 -0.00037 -0.00040 -0.00009 0.00124 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00006 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 17 H 1S 0.00000 -0.00001 -0.00001 -0.00001 -0.00039 190 2S -0.00026 -0.00062 -0.00070 -0.00103 -0.00544 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00001 0.00006 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00002 0.00000 0.00000 -0.00006 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 196 2S 0.00001 -0.00001 0.00008 0.00000 0.00031 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 198 2S -0.00001 -0.00002 0.00000 -0.00005 -0.00057 199 2PX -0.00001 -0.00001 0.00000 -0.00003 -0.00022 200 2PY 0.00000 0.00001 0.00000 -0.00001 0.00041 201 2PZ -0.00003 -0.00005 -0.00001 -0.00011 -0.00091 202 3S -0.00045 -0.00026 -0.00021 -0.00080 -0.00191 203 3PX -0.00013 0.00000 0.00023 0.00012 -0.00068 204 3PY -0.00008 0.00014 -0.00002 -0.00033 0.00083 205 3PZ -0.00031 0.00048 -0.00026 0.00038 0.00015 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 207 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 208 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00003 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00001 0.00000 0.00002 0.00005 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 212 22 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00016 213 2S -0.00011 -0.00002 -0.00006 -0.00078 -0.00036 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 215 2S 0.00002 0.00007 0.00000 0.00013 0.00047 56 57 58 59 60 56 3PX 0.12665 57 3PY 0.00000 0.06783 58 3PZ 0.00000 0.00000 0.13016 59 4XX 0.00000 0.00000 0.00000 0.00095 60 4YY 0.00000 0.00000 0.00000 -0.00007 0.00091 61 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00006 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00948 0.00982 0.02975 -0.00078 -0.00080 66 2S 0.00938 0.00826 0.02860 -0.00055 -0.00116 67 8 C 1S 0.00000 0.00038 0.00000 0.00000 -0.00024 68 2S 0.00000 0.00776 0.00000 -0.00046 0.00319 69 2PX 0.01766 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 0.02184 0.00000 -0.00107 0.00242 71 2PZ 0.00000 0.00000 0.01430 0.00000 0.00000 72 3S 0.00000 -0.02984 0.00000 -0.00120 0.00425 73 3PX 0.02695 0.00000 0.00000 0.00000 0.00000 74 3PY 0.00000 0.00252 0.00000 -0.00090 0.00138 75 3PZ 0.00000 0.00000 0.02253 0.00000 0.00000 76 4XX 0.00000 -0.00090 0.00000 0.00003 -0.00005 77 4YY 0.00000 0.00138 0.00000 -0.00005 0.00002 78 4ZZ 0.00000 -0.00112 0.00000 0.00000 -0.00003 79 4XY 0.00114 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00118 0.00000 0.00000 82 9 H 1S -0.00004 -0.00297 -0.00079 0.00000 0.00002 83 2S -0.00092 -0.00469 -0.00235 0.00016 -0.00009 84 10 C 1S -0.00003 0.00002 -0.00002 0.00000 0.00000 85 2S -0.00011 -0.00160 0.00013 0.00000 0.00000 86 2PX -0.00003 -0.00097 -0.00009 0.00000 0.00001 87 2PY 0.00000 -0.00428 -0.00018 0.00000 0.00001 88 2PZ -0.00010 -0.00019 0.00024 0.00000 0.00000 89 3S 0.00100 -0.00413 -0.00083 0.00003 -0.00002 90 3PX 0.00044 0.00111 -0.00043 0.00000 0.00000 91 3PY 0.00235 0.00295 -0.00031 -0.00003 0.00003 92 3PZ -0.00059 0.00033 0.00073 0.00002 0.00000 93 4XX -0.00012 -0.00044 0.00008 0.00000 0.00000 94 4YY 0.00006 0.00055 -0.00005 0.00000 0.00000 95 4ZZ 0.00006 -0.00002 -0.00002 0.00000 0.00000 96 4XY 0.00000 -0.00028 0.00002 0.00000 0.00000 97 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 98 4YZ 0.00009 -0.00007 0.00005 0.00000 0.00000 99 11 O 1S -0.00004 0.00001 -0.00002 0.00000 0.00000 100 2S 0.00028 0.00041 0.00007 0.00000 0.00000 101 2PX -0.00023 0.00146 -0.00096 0.00000 0.00001 102 2PY -0.00241 0.00104 -0.00095 0.00000 0.00002 103 2PZ -0.00060 0.00035 -0.00043 0.00000 0.00000 104 3S 0.00309 -0.00252 0.00095 0.00001 0.00007 105 3PX -0.00013 0.00361 -0.00348 -0.00004 0.00030 106 3PY -0.00599 0.00141 -0.00220 -0.00003 0.00033 107 3PZ -0.00256 0.00110 -0.00259 0.00005 0.00004 108 4XX -0.00002 0.00006 0.00003 0.00000 0.00000 109 4YY -0.00034 0.00025 -0.00014 0.00000 0.00000 110 4ZZ 0.00004 -0.00005 -0.00001 0.00000 0.00000 111 4XY 0.00000 0.00021 -0.00004 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00002 0.00004 -0.00005 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00003 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00014 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00013 0.00000 0.00000 0.00000 118 2PZ -0.00001 0.00003 -0.00001 0.00000 0.00000 119 3S 0.00003 0.00035 -0.00002 0.00000 0.00000 120 3PX 0.00000 0.00151 -0.00003 0.00000 0.00000 121 3PY 0.00004 0.00112 0.00005 0.00000 0.00000 122 3PZ -0.00011 0.00030 -0.00010 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00005 0.00003 0.00002 0.00000 0.00000 130 2S -0.00060 -0.00054 0.00112 0.00002 0.00000 131 2PX 0.00479 -0.00010 0.00941 0.00001 -0.00001 132 2PY 0.00029 0.00052 0.00039 0.00001 0.00000 133 2PZ 0.00881 0.00047 0.00292 0.00007 -0.00001 134 3S -0.00125 -0.00129 0.00147 0.00025 -0.00006 135 3PX 0.00579 0.00022 0.01786 0.00018 -0.00015 136 3PY -0.00056 0.00207 -0.00080 0.00002 0.00000 137 3PZ 0.01481 0.00071 0.00177 0.00031 -0.00009 138 4XX 0.00028 0.00009 0.00040 0.00000 0.00000 139 4YY -0.00037 -0.00001 -0.00028 0.00000 0.00000 140 4ZZ 0.00042 -0.00001 0.00012 0.00000 0.00000 141 4XY 0.00001 0.00002 0.00003 0.00000 0.00000 142 4XZ 0.00024 0.00004 0.00014 -0.00001 0.00000 143 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00007 0.00000 0.00000 0.00000 0.00000 145 2S -0.00075 0.00000 -0.00013 0.00000 0.00000 146 2PX -0.00011 0.00000 -0.00036 0.00002 0.00000 147 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 148 2PZ -0.00007 0.00000 -0.00009 0.00000 0.00000 149 3S 0.00232 0.00000 0.00085 0.00001 0.00000 150 3PX 0.00027 0.00001 -0.00022 0.00031 -0.00005 151 3PY -0.00001 0.00024 0.00000 0.00000 0.00000 152 3PZ -0.00090 0.00000 0.00057 0.00009 -0.00001 153 4XX 0.00031 0.00000 0.00010 0.00000 0.00000 154 4YY -0.00006 0.00000 -0.00001 0.00000 0.00000 155 4ZZ -0.00013 0.00000 -0.00002 0.00000 0.00000 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00006 0.00000 -0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00018 0.00000 -0.00002 0.00000 0.00000 161 2PX -0.00189 0.00025 -0.00037 0.00000 0.00000 162 2PY -0.00009 0.00001 -0.00004 0.00000 0.00000 163 2PZ -0.00040 0.00009 0.00020 0.00000 0.00000 164 3S -0.00120 -0.00063 -0.00030 0.00000 0.00000 165 3PX -0.00823 0.00085 -0.00209 0.00008 -0.00001 166 3PY -0.00106 -0.00001 -0.00026 0.00000 0.00000 167 3PZ -0.00194 0.00045 0.00149 0.00002 0.00000 168 4XX -0.00002 -0.00001 -0.00001 0.00000 0.00000 169 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 170 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00003 0.00001 0.00002 0.00000 0.00000 175 2S -0.00077 -0.00037 -0.00074 0.00000 0.00000 176 2PX -0.00034 -0.00021 -0.00099 0.00000 0.00000 177 2PY -0.00060 -0.00032 -0.00049 0.00000 0.00000 178 2PZ -0.00060 -0.00004 -0.00008 0.00000 0.00000 179 3S -0.00275 -0.00006 -0.00288 0.00001 0.00000 180 3PX -0.00151 -0.00107 -0.00483 -0.00001 0.00000 181 3PY -0.00120 0.00088 -0.00107 0.00002 0.00002 182 3PZ -0.00198 0.00004 -0.00017 -0.00001 0.00000 183 4XX 0.00010 -0.00006 0.00013 0.00000 0.00000 184 4YY -0.00005 0.00005 -0.00005 0.00000 0.00000 185 4ZZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 186 4XY 0.00001 0.00001 0.00000 0.00000 0.00000 187 4XZ 0.00005 -0.00002 0.00003 0.00000 0.00000 188 4YZ 0.00001 0.00001 0.00001 0.00000 0.00000 189 17 H 1S -0.00058 -0.00006 -0.00054 0.00000 0.00000 190 2S -0.00309 -0.00042 -0.00520 -0.00002 0.00005 191 18 H 1S -0.00007 0.00000 0.00000 0.00000 0.00000 192 2S -0.00020 -0.00002 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S -0.00009 -0.00001 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00003 -0.00001 0.00000 0.00000 196 2S 0.00001 0.00096 0.00001 0.00000 0.00000 197 21 C 1S 0.00003 0.00000 0.00007 0.00000 0.00000 198 2S -0.00079 0.00013 -0.00137 0.00000 0.00000 199 2PX -0.00010 0.00006 -0.00057 0.00000 0.00000 200 2PY -0.00015 -0.00020 0.00034 0.00000 0.00000 201 2PZ -0.00144 0.00024 -0.00161 0.00000 0.00000 202 3S -0.00153 -0.00015 -0.00247 0.00001 -0.00002 203 3PX 0.00001 0.00042 -0.00027 0.00000 0.00000 204 3PY -0.00025 -0.00066 0.00018 -0.00001 0.00000 205 3PZ 0.00024 -0.00032 0.00159 -0.00007 -0.00002 206 4XX 0.00000 -0.00001 -0.00002 0.00000 0.00000 207 4YY -0.00005 0.00000 -0.00011 0.00000 0.00000 208 4ZZ 0.00012 -0.00002 0.00019 0.00000 0.00000 209 4XY 0.00001 0.00000 0.00005 0.00000 0.00000 210 4XZ 0.00004 -0.00001 0.00016 0.00000 0.00000 211 4YZ 0.00003 -0.00001 0.00007 0.00000 0.00000 212 22 H 1S -0.00005 0.00004 -0.00068 0.00000 0.00000 213 2S -0.00014 -0.00010 -0.00240 -0.00001 0.00000 214 23 H 1S 0.00004 0.00000 0.00006 0.00000 0.00000 215 2S 0.00097 -0.00009 0.00166 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00083 62 4XY 0.00000 0.00099 63 4XZ 0.00000 0.00000 0.00067 64 4YZ 0.00000 0.00000 0.00000 0.00118 65 7 H 1S 0.00196 0.00079 0.00137 0.00254 0.21485 66 2S 0.00252 0.00018 0.00020 0.00048 0.10204 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00042 0.00000 0.00000 0.00000 -0.00017 69 2PX 0.00000 0.00193 0.00000 0.00000 -0.00003 70 2PY -0.00117 0.00000 0.00000 0.00000 -0.00052 71 2PZ 0.00000 0.00000 0.00000 0.00204 -0.00008 72 3S -0.00094 0.00000 0.00000 0.00000 -0.00319 73 3PX 0.00000 0.00114 0.00000 0.00000 -0.00004 74 3PY -0.00112 0.00000 0.00000 0.00000 -0.00297 75 3PZ 0.00000 0.00000 0.00000 0.00118 -0.00079 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY -0.00003 0.00000 0.00000 0.00000 0.00002 78 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 -0.00012 0.00000 0.00000 0.00002 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 -0.00020 0.00006 82 9 H 1S 0.00000 0.00002 0.00000 0.00006 -0.00001 83 2S 0.00007 0.00010 0.00000 0.00025 -0.00088 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 87 2PY 0.00000 0.00003 0.00000 0.00001 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 89 3S 0.00005 0.00009 0.00000 0.00005 0.00008 90 3PX 0.00004 0.00000 0.00000 0.00003 0.00007 91 3PY -0.00008 0.00009 -0.00001 0.00002 0.00000 92 3PZ 0.00001 0.00003 0.00000 0.00001 0.00002 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 -0.00002 0.00000 0.00001 -0.00017 105 3PX 0.00003 -0.00002 0.00000 0.00004 -0.00001 106 3PY -0.00005 0.00016 -0.00005 0.00004 -0.00023 107 3PZ -0.00001 0.00005 0.00002 0.00002 -0.00025 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00001 0.00005 0.00001 -0.00001 131 2PX 0.00006 0.00002 0.00011 0.00002 -0.00001 132 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 133 2PZ -0.00001 0.00001 0.00005 0.00001 -0.00005 134 3S -0.00008 0.00002 0.00020 0.00004 -0.00070 135 3PX 0.00031 0.00005 0.00020 0.00010 -0.00076 136 3PY -0.00002 0.00001 0.00002 0.00000 0.00002 137 3PZ 0.00002 0.00004 0.00008 0.00002 -0.00081 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 149 3S 0.00001 0.00000 0.00000 0.00000 -0.00004 150 3PX -0.00001 0.00000 0.00005 0.00000 -0.00052 151 3PY 0.00000 -0.00002 0.00000 0.00000 -0.00006 152 3PZ 0.00000 0.00000 -0.00003 0.00000 -0.00040 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 -0.00001 0.00000 0.00002 165 3PX -0.00003 0.00001 -0.00001 0.00000 -0.00002 166 3PY 0.00000 0.00001 0.00000 0.00000 -0.00002 167 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00001 -0.00001 0.00000 0.00001 0.00002 180 3PX -0.00001 0.00005 -0.00003 0.00009 0.00005 181 3PY -0.00002 -0.00001 0.00002 -0.00001 -0.00003 182 3PZ -0.00001 0.00007 -0.00001 0.00002 0.00003 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 0.00002 -0.00001 0.00001 -0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00003 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 202 3S 0.00005 0.00000 0.00000 0.00000 0.00002 203 3PX 0.00000 0.00000 0.00001 0.00000 -0.00001 204 3PY 0.00003 0.00000 0.00000 -0.00001 0.00003 205 3PZ 0.00014 0.00001 0.00002 0.00002 0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00005 0.00000 0.00000 0.00000 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.13494 67 8 C 1S 0.00020 2.05570 68 2S -0.00288 -0.01298 0.31847 69 2PX -0.00061 0.00000 0.00000 0.36791 70 2PY -0.00607 0.00000 0.00000 0.00000 0.42070 71 2PZ -0.00104 0.00000 0.00000 0.00000 0.00000 72 3S -0.00518 -0.04328 0.27774 0.00000 0.00000 73 3PX -0.00092 0.00000 0.00000 0.11493 0.00000 74 3PY -0.00469 0.00000 0.00000 0.00000 0.07352 75 3PZ -0.00235 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00016 -0.00106 -0.00669 0.00000 0.00000 77 4YY -0.00009 -0.00130 -0.00140 0.00000 0.00000 78 4ZZ 0.00007 -0.00118 -0.00397 0.00000 0.00000 79 4XY 0.00010 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00025 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00088 -0.00206 0.03267 0.01950 0.02495 83 2S -0.00453 -0.00110 0.01289 0.01236 0.01318 84 10 C 1S 0.00000 0.00000 -0.00029 -0.00095 -0.00044 85 2S 0.00009 -0.00030 0.00764 0.01776 0.00872 86 2PX 0.00013 -0.00096 0.01695 0.01473 0.01683 87 2PY 0.00012 -0.00040 0.00625 0.01621 0.00097 88 2PZ 0.00005 -0.00034 0.00584 0.01807 0.00523 89 3S 0.00107 0.00070 0.00185 0.01814 0.00737 90 3PX 0.00067 0.00069 0.00078 -0.00001 0.00242 91 3PY -0.00001 0.00068 0.00064 0.00682 0.00261 92 3PZ 0.00023 0.00029 -0.00087 0.00427 0.00047 93 4XX 0.00000 -0.00005 0.00081 -0.00088 0.00125 94 4YY -0.00001 0.00001 -0.00028 -0.00017 -0.00037 95 4ZZ 0.00000 0.00000 -0.00006 -0.00006 0.00013 96 4XY 0.00001 -0.00010 0.00143 0.00117 0.00016 97 4XZ 0.00000 -0.00004 0.00061 0.00029 0.00061 98 4YZ 0.00000 -0.00004 0.00065 0.00154 0.00007 99 11 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 100 2S 0.00014 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00049 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00057 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00028 0.00000 0.00000 0.00000 0.00000 104 3S 0.00034 0.00000 0.00000 0.00000 0.00002 105 3PX 0.00308 0.00000 0.00000 0.00000 0.00002 106 3PY -0.00276 0.00000 0.00001 0.00000 0.00005 107 3PZ 0.00159 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00010 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00004 0.00000 0.00000 0.00000 0.00000 111 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00005 116 2PX 0.00000 0.00000 -0.00005 -0.00004 -0.00015 117 2PY 0.00000 0.00000 -0.00003 -0.00007 -0.00012 118 2PZ 0.00000 0.00000 -0.00002 -0.00004 -0.00004 119 3S -0.00001 0.00002 -0.00015 0.00019 -0.00205 120 3PX -0.00002 0.00007 -0.00163 -0.00043 -0.00320 121 3PY -0.00002 0.00004 -0.00063 -0.00077 -0.00226 122 3PZ 0.00000 0.00002 -0.00062 -0.00089 -0.00080 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00002 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 129 13 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 130 2S -0.00037 0.00000 0.00000 -0.00002 0.00000 131 2PX 0.00007 0.00000 0.00000 -0.00002 -0.00002 132 2PY -0.00001 0.00000 -0.00001 -0.00002 -0.00001 133 2PZ -0.00127 0.00000 0.00000 -0.00001 -0.00002 134 3S -0.00328 0.00000 -0.00010 -0.00037 0.00010 135 3PX -0.00124 0.00001 -0.00013 -0.00065 -0.00079 136 3PY 0.00003 -0.00001 -0.00004 -0.00026 0.00053 137 3PZ -0.00183 0.00000 -0.00007 -0.00037 -0.00040 138 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00008 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 145 2S -0.00027 0.00000 0.00000 0.00000 0.00000 146 2PX -0.00060 0.00000 0.00000 -0.00004 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00012 0.00000 0.00000 -0.00001 0.00000 149 3S -0.00018 0.00000 0.00002 -0.00025 -0.00008 150 3PX -0.00069 0.00002 -0.00036 -0.00221 -0.00004 151 3PY -0.00028 0.00000 -0.00002 -0.00035 -0.00002 152 3PZ -0.00012 0.00000 -0.00008 -0.00048 0.00006 153 4XX -0.00002 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 156 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00000 -0.00003 0.00000 161 2PX 0.00004 0.00000 -0.00003 -0.00007 0.00000 162 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3S 0.00000 -0.00001 -0.00006 0.00051 0.00000 165 3PX 0.00009 0.00003 -0.00113 -0.00031 0.00000 166 3PY -0.00029 0.00000 0.00000 0.00000 -0.00003 167 3PZ -0.00002 0.00001 -0.00020 -0.00033 0.00000 168 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00002 0.00000 -0.00015 0.00011 -0.00001 176 2PX 0.00002 0.00000 0.00009 0.00195 0.00012 177 2PY 0.00003 0.00000 -0.00001 0.00010 -0.00003 178 2PZ 0.00006 0.00000 0.00012 0.00165 0.00009 179 3S 0.00030 0.00017 -0.00093 -0.00022 -0.00024 180 3PX 0.00037 0.00004 -0.00075 0.00504 0.00061 181 3PY -0.00021 0.00003 0.00011 -0.00031 0.00084 182 3PZ 0.00030 0.00007 -0.00018 0.00687 0.00028 183 4XX 0.00000 0.00000 0.00003 0.00003 0.00001 184 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00007 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 187 4XZ 0.00000 0.00000 0.00005 0.00014 0.00002 188 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 189 17 H 1S -0.00004 0.00000 0.00000 0.00000 0.00000 190 2S 0.00045 0.00000 0.00001 -0.00001 0.00008 191 18 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 192 2S 0.00091 0.00000 0.00000 -0.00002 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S -0.00003 0.00000 -0.00001 0.00006 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00001 196 2S -0.00006 0.00002 -0.00026 -0.00062 -0.00070 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00003 0.00000 -0.00001 -0.00002 0.00000 199 2PX 0.00000 0.00000 -0.00001 -0.00001 0.00000 200 2PY 0.00003 0.00000 0.00000 0.00001 0.00000 201 2PZ 0.00006 0.00000 -0.00003 -0.00005 -0.00001 202 3S 0.00041 0.00002 -0.00045 -0.00026 -0.00021 203 3PX -0.00010 0.00001 -0.00013 0.00000 0.00023 204 3PY 0.00043 0.00000 -0.00008 0.00014 -0.00002 205 3PZ 0.00039 0.00003 -0.00031 0.00048 -0.00026 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00016 0.00000 -0.00011 -0.00002 -0.00006 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00003 0.00000 0.00002 0.00007 0.00000 71 72 73 74 75 71 2PZ 0.37981 72 3S 0.00000 0.55077 73 3PX 0.00000 0.00000 0.12665 74 3PY 0.00000 0.00000 0.00000 0.06783 75 3PZ 0.11624 0.00000 0.00000 0.00000 0.13016 76 4XX 0.00000 -0.00521 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.00388 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00231 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.05560 0.04489 0.00948 0.00981 0.02975 83 2S 0.03319 0.00299 0.00938 0.00826 0.02860 84 10 C 1S -0.00039 0.00105 -0.00003 -0.00095 0.00021 85 2S 0.00731 -0.00077 0.00664 0.00697 0.00125 86 2PX 0.01832 0.02627 0.00133 0.01031 0.00941 87 2PY 0.00560 0.01340 0.01072 0.00177 0.00477 88 2PZ -0.00004 0.00962 0.01189 0.00289 -0.00050 89 3S 0.00700 -0.02522 0.00893 0.00480 0.00046 90 3PX 0.00399 -0.00638 0.00087 0.00273 0.00157 91 3PY 0.00203 -0.00974 0.00242 0.00198 -0.00091 92 3PZ 0.00266 -0.00174 0.00422 -0.00027 0.00296 93 4XX 0.00086 0.00376 -0.00081 0.00036 0.00165 94 4YY -0.00023 -0.00170 -0.00007 -0.00034 -0.00063 95 4ZZ -0.00015 0.00025 0.00085 -0.00023 -0.00043 96 4XY 0.00140 0.00182 0.00006 0.00003 0.00045 97 4XZ -0.00005 0.00027 0.00002 0.00006 0.00017 98 4YZ -0.00001 0.00071 0.00050 0.00003 0.00012 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00001 0.00000 0.00003 0.00000 101 2PX 0.00000 0.00004 0.00000 0.00014 0.00000 102 2PY 0.00000 0.00006 0.00000 0.00013 0.00000 103 2PZ 0.00000 0.00001 -0.00001 0.00003 -0.00001 104 3S 0.00000 0.00008 0.00003 0.00035 -0.00002 105 3PX 0.00000 0.00054 0.00000 0.00151 -0.00003 106 3PY 0.00000 0.00065 0.00004 0.00112 0.00005 107 3PZ 0.00000 0.00019 -0.00011 0.00030 -0.00010 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00001 -0.00004 0.00001 -0.00002 115 2S 0.00000 -0.00071 0.00028 0.00041 0.00007 116 2PX -0.00004 -0.00467 -0.00023 0.00146 -0.00096 117 2PY -0.00002 -0.00287 -0.00241 0.00104 -0.00095 118 2PZ 0.00000 -0.00119 -0.00060 0.00035 -0.00043 119 3S 0.00009 -0.00059 0.00309 -0.00252 0.00095 120 3PX -0.00088 -0.02240 -0.00013 0.00361 -0.00348 121 3PY -0.00007 -0.00976 -0.00599 0.00141 -0.00220 122 3PZ -0.00015 -0.00578 -0.00256 0.00110 -0.00259 123 4XX 0.00000 0.00006 -0.00002 0.00006 0.00003 124 4YY 0.00000 -0.00041 -0.00034 0.00025 -0.00014 125 4ZZ 0.00000 0.00010 0.00004 -0.00005 -0.00001 126 4XY 0.00001 -0.00028 0.00000 0.00021 -0.00004 127 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00000 -0.00005 0.00002 0.00004 -0.00005 129 13 C 1S 0.00000 0.00001 0.00003 0.00001 0.00002 130 2S -0.00001 -0.00051 -0.00077 -0.00037 -0.00074 131 2PX -0.00002 -0.00037 -0.00034 -0.00021 -0.00099 132 2PY -0.00002 -0.00069 -0.00060 -0.00032 -0.00049 133 2PZ -0.00001 0.00024 -0.00060 -0.00004 -0.00008 134 3S -0.00048 -0.00253 -0.00275 -0.00006 -0.00288 135 3PX -0.00108 -0.00112 -0.00151 -0.00107 -0.00483 136 3PY -0.00020 -0.00153 -0.00120 0.00088 -0.00107 137 3PZ -0.00009 0.00124 -0.00198 0.00004 -0.00017 138 4XX 0.00000 0.00006 0.00010 -0.00006 0.00013 139 4YY 0.00000 0.00000 -0.00005 0.00005 -0.00005 140 4ZZ 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 141 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 142 4XZ 0.00000 0.00002 0.00005 -0.00002 0.00003 143 4YZ 0.00000 0.00001 0.00001 0.00001 0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00004 -0.00018 0.00000 -0.00002 146 2PX -0.00001 -0.00043 -0.00189 0.00025 -0.00037 147 2PY 0.00000 -0.00010 -0.00009 0.00001 -0.00004 148 2PZ 0.00000 -0.00012 -0.00040 0.00009 0.00020 149 3S -0.00003 -0.00014 -0.00120 -0.00063 -0.00030 150 3PX -0.00037 -0.00280 -0.00823 0.00085 -0.00209 151 3PY -0.00002 -0.00053 -0.00106 -0.00001 -0.00026 152 3PZ 0.00013 -0.00076 -0.00194 0.00045 0.00149 153 4XX 0.00000 0.00000 -0.00002 -0.00001 -0.00001 154 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 155 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 156 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00007 0.00000 0.00000 160 2S 0.00000 -0.00028 -0.00075 0.00000 -0.00013 161 2PX 0.00000 -0.00139 -0.00011 0.00000 -0.00036 162 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 163 2PZ 0.00000 -0.00032 -0.00007 0.00000 -0.00009 164 3S 0.00014 0.00119 0.00232 0.00000 0.00085 165 3PX -0.00002 -0.00570 0.00027 0.00001 -0.00022 166 3PY 0.00000 0.00000 -0.00001 0.00024 0.00000 167 3PZ 0.00008 -0.00170 -0.00090 0.00000 0.00057 168 4XX 0.00000 0.00003 0.00031 0.00000 0.00010 169 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00001 170 4ZZ 0.00000 0.00001 -0.00013 0.00000 -0.00002 171 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 172 4XZ 0.00000 0.00001 0.00006 0.00000 -0.00001 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00014 0.00005 0.00003 0.00002 175 2S 0.00016 0.00024 -0.00060 -0.00054 0.00112 176 2PX 0.00183 0.00128 0.00479 -0.00010 0.00941 177 2PY 0.00006 0.00037 0.00029 0.00052 0.00039 178 2PZ 0.00130 -0.00018 0.00881 0.00047 0.00292 179 3S 0.00109 -0.00098 -0.00125 -0.00129 0.00147 180 3PX 0.00833 0.00068 0.00579 0.00022 0.01786 181 3PY -0.00021 -0.00068 -0.00056 0.00207 -0.00080 182 3PZ 0.00254 -0.00350 0.01481 0.00071 0.00177 183 4XX 0.00008 0.00036 0.00028 0.00009 0.00040 184 4YY -0.00002 -0.00026 -0.00037 -0.00001 -0.00028 185 4ZZ 0.00000 0.00002 0.00042 -0.00001 0.00012 186 4XY 0.00001 0.00001 0.00001 0.00002 0.00003 187 4XZ 0.00007 0.00022 0.00024 0.00004 0.00014 188 4YZ 0.00001 -0.00001 0.00003 0.00000 0.00000 189 17 H 1S 0.00000 0.00001 0.00000 0.00003 -0.00001 190 2S 0.00000 0.00031 0.00001 0.00096 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00006 -0.00009 -0.00001 0.00000 193 19 H 1S 0.00000 0.00000 -0.00007 0.00000 0.00000 194 2S 0.00000 0.00000 -0.00020 -0.00002 0.00000 195 20 H 1S -0.00001 -0.00039 -0.00058 -0.00006 -0.00054 196 2S -0.00103 -0.00545 -0.00309 -0.00042 -0.00520 197 21 C 1S 0.00000 0.00002 0.00003 0.00000 0.00007 198 2S -0.00005 -0.00057 -0.00079 0.00013 -0.00137 199 2PX -0.00003 -0.00022 -0.00010 0.00006 -0.00057 200 2PY -0.00001 0.00041 -0.00015 -0.00020 0.00034 201 2PZ -0.00011 -0.00091 -0.00144 0.00024 -0.00161 202 3S -0.00080 -0.00191 -0.00153 -0.00015 -0.00247 203 3PX 0.00012 -0.00068 0.00001 0.00042 -0.00027 204 3PY -0.00033 0.00083 -0.00025 -0.00066 0.00018 205 3PZ 0.00038 0.00015 0.00024 -0.00032 0.00158 206 4XX 0.00000 0.00002 0.00000 -0.00001 -0.00002 207 4YY 0.00000 -0.00003 -0.00005 0.00000 -0.00011 208 4ZZ 0.00001 0.00003 0.00012 -0.00002 0.00019 209 4XY 0.00000 0.00000 0.00001 0.00000 0.00005 210 4XZ 0.00002 0.00005 0.00004 -0.00001 0.00016 211 4YZ 0.00000 0.00002 0.00003 -0.00001 0.00007 212 22 H 1S -0.00001 -0.00016 -0.00005 0.00004 -0.00068 213 2S -0.00078 -0.00036 -0.00014 -0.00010 -0.00240 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 0.00006 215 2S 0.00013 0.00047 0.00097 -0.00009 0.00166 76 77 78 79 80 76 4XX 0.00095 77 4YY -0.00007 0.00091 78 4ZZ 0.00007 -0.00006 0.00083 79 4XY 0.00000 0.00000 0.00000 0.00099 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00067 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00078 -0.00080 0.00196 0.00079 0.00137 83 2S -0.00055 -0.00116 0.00252 0.00018 0.00020 84 10 C 1S -0.00004 0.00000 0.00000 -0.00007 -0.00004 85 2S 0.00095 -0.00028 -0.00013 0.00107 0.00070 86 2PX -0.00034 -0.00029 -0.00025 0.00086 0.00043 87 2PY 0.00079 -0.00028 -0.00016 0.00001 0.00074 88 2PZ 0.00058 -0.00009 -0.00011 0.00074 -0.00001 89 3S 0.00154 -0.00061 -0.00023 0.00041 0.00022 90 3PX -0.00033 0.00015 0.00028 0.00002 0.00001 91 3PY 0.00037 0.00012 -0.00043 -0.00008 0.00003 92 3PZ 0.00060 -0.00006 -0.00030 0.00009 0.00007 93 4XX -0.00001 -0.00009 0.00002 -0.00002 0.00001 94 4YY -0.00005 0.00002 -0.00002 0.00000 -0.00005 95 4ZZ -0.00002 -0.00002 0.00001 -0.00007 0.00000 96 4XY -0.00001 -0.00001 -0.00006 0.00003 0.00000 97 4XZ 0.00000 -0.00004 0.00000 -0.00001 0.00001 98 4YZ -0.00004 0.00000 0.00000 -0.00001 0.00001 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00001 0.00007 -0.00001 -0.00002 0.00000 120 3PX -0.00004 0.00030 0.00003 -0.00002 0.00000 121 3PY -0.00003 0.00033 -0.00005 0.00016 -0.00005 122 3PZ 0.00005 0.00004 -0.00001 0.00005 0.00002 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00001 -0.00001 0.00000 135 3PX -0.00001 0.00000 -0.00001 0.00005 -0.00003 136 3PY 0.00002 0.00002 -0.00002 -0.00001 0.00002 137 3PZ -0.00001 0.00000 -0.00001 0.00007 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00001 -0.00001 150 3PX 0.00008 -0.00001 -0.00003 0.00001 -0.00001 151 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 152 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 0.00000 0.00001 0.00000 0.00000 165 3PX 0.00031 -0.00005 -0.00001 0.00000 0.00005 166 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 167 3PZ 0.00009 -0.00001 0.00000 0.00000 -0.00003 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00002 0.00000 0.00000 0.00001 0.00005 176 2PX 0.00001 -0.00001 0.00006 0.00002 0.00011 177 2PY 0.00001 0.00000 0.00001 0.00000 0.00001 178 2PZ 0.00007 -0.00001 -0.00001 0.00001 0.00005 179 3S 0.00025 -0.00006 -0.00008 0.00002 0.00020 180 3PX 0.00018 -0.00015 0.00031 0.00005 0.00020 181 3PY 0.00002 0.00000 -0.00002 0.00001 0.00002 182 3PZ 0.00031 -0.00009 0.00002 0.00004 0.00008 183 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S -0.00002 0.00005 -0.00002 0.00002 -0.00001 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 202 3S 0.00001 -0.00002 0.00005 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 204 3PY -0.00001 0.00000 0.00003 0.00000 0.00000 205 3PZ -0.00007 -0.00002 0.00014 0.00001 0.00002 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 0.00000 0.00005 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4YZ 0.00118 82 9 H 1S 0.00254 0.21485 83 2S 0.00048 0.10204 0.13494 84 10 C 1S -0.00003 0.00000 0.00025 2.05381 85 2S 0.00042 -0.00017 -0.00376 -0.01557 0.35855 86 2PX 0.00083 -0.00043 -0.00566 0.00000 0.00000 87 2PY 0.00001 -0.00002 0.00009 0.00000 0.00000 88 2PZ 0.00000 -0.00020 -0.00302 0.00000 0.00000 89 3S 0.00025 -0.00293 -0.00994 -0.02761 0.20695 90 3PX 0.00014 -0.00144 -0.00332 0.00000 0.00000 91 3PY -0.00007 -0.00055 -0.00101 0.00000 0.00000 92 3PZ 0.00004 -0.00034 0.00008 0.00000 0.00000 93 4XX -0.00006 0.00003 0.00022 -0.00100 -0.00848 94 4YY 0.00000 -0.00001 -0.00019 -0.00121 -0.00258 95 4ZZ 0.00000 0.00004 0.00057 -0.00087 -0.01095 96 4XY 0.00001 -0.00001 -0.00006 0.00000 0.00000 97 4XZ 0.00000 0.00006 0.00020 0.00000 0.00000 98 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 105 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 106 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 -0.00001 0.00000 -0.00026 115 2S 0.00000 0.00000 0.00014 -0.00015 0.00379 116 2PX 0.00000 0.00000 0.00049 -0.00002 0.00032 117 2PY 0.00000 0.00000 -0.00057 -0.00178 0.04272 118 2PZ 0.00000 0.00000 0.00028 -0.00001 0.00021 119 3S 0.00001 -0.00017 0.00034 -0.00082 -0.01267 120 3PX 0.00004 -0.00001 0.00308 -0.00006 0.00042 121 3PY 0.00004 -0.00023 -0.00276 -0.00832 0.06356 122 3PZ 0.00002 -0.00025 0.00159 -0.00004 0.00030 123 4XX 0.00000 0.00000 0.00004 0.00001 -0.00068 124 4YY 0.00000 0.00000 -0.00010 -0.00082 0.00785 125 4ZZ 0.00000 0.00000 0.00004 0.00001 -0.00066 126 4XY 0.00000 0.00000 -0.00001 -0.00002 0.00010 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00006 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00002 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 134 3S 0.00001 0.00002 0.00030 0.00000 0.00000 135 3PX 0.00009 0.00005 0.00037 0.00000 0.00003 136 3PY -0.00001 -0.00003 -0.00021 0.00000 -0.00001 137 3PZ 0.00002 0.00003 0.00030 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 147 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00000 0.00000 150 3PX 0.00000 -0.00002 0.00009 0.00000 0.00001 151 3PY 0.00000 -0.00002 -0.00029 0.00000 0.00000 152 3PZ 0.00000 -0.00004 -0.00002 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00027 0.00000 0.00000 161 2PX 0.00000 -0.00002 -0.00060 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 164 3S 0.00000 -0.00004 -0.00018 0.00000 0.00000 165 3PX 0.00000 -0.00052 -0.00069 0.00000 -0.00002 166 3PY 0.00000 -0.00006 -0.00028 0.00000 0.00000 167 3PZ 0.00000 -0.00040 -0.00012 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 171 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 175 2S 0.00001 -0.00001 -0.00037 0.00000 0.00000 176 2PX 0.00002 -0.00001 0.00007 0.00000 -0.00002 177 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PZ 0.00001 -0.00005 -0.00127 0.00000 0.00000 179 3S 0.00004 -0.00070 -0.00328 -0.00001 0.00000 180 3PX 0.00010 -0.00076 -0.00124 0.00003 -0.00057 181 3PY 0.00000 0.00002 0.00003 0.00000 -0.00001 182 3PZ 0.00002 -0.00081 -0.00183 0.00000 -0.00011 183 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00008 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 -0.00006 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00007 0.00000 0.00000 194 2S 0.00000 0.00003 0.00091 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 -0.00004 0.00000 0.00000 196 2S 0.00001 -0.00001 0.00045 0.00000 -0.00016 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00003 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 202 3S 0.00000 0.00002 0.00041 0.00000 -0.00002 203 3PX 0.00000 -0.00001 -0.00010 0.00000 -0.00014 204 3PY -0.00001 0.00003 0.00043 0.00000 -0.00007 205 3PZ 0.00002 0.00003 0.00039 0.00000 -0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00001 0.00016 0.00001 -0.00014 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 86 87 88 89 90 86 2PX 0.37725 87 2PY 0.00000 0.42606 88 2PZ 0.00000 0.00000 0.32857 89 3S 0.00000 0.00000 0.00000 0.22567 90 3PX 0.04912 0.00000 0.00000 0.00000 0.04066 91 3PY 0.00000 -0.00339 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.07015 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00375 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00438 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00507 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00001 -0.00198 -0.00001 0.00154 0.00000 115 2S 0.00021 0.02886 0.00018 -0.02282 -0.00005 116 2PX 0.01235 0.00175 -0.00024 0.00041 0.01758 117 2PY 0.00169 0.10300 0.00136 0.02216 0.00008 118 2PZ -0.00024 0.00131 0.01971 0.00015 -0.00007 119 3S -0.00005 0.00881 -0.00016 -0.07513 -0.00022 120 3PX 0.02139 0.00150 -0.00027 0.00089 0.03941 121 3PY 0.00139 0.05542 0.00115 0.04105 0.00013 122 3PZ -0.00027 0.00119 0.03788 0.00029 -0.00010 123 4XX 0.00002 -0.00094 0.00000 -0.00045 -0.00002 124 4YY 0.00032 0.00968 0.00026 0.00588 0.00006 125 4ZZ -0.00001 -0.00086 0.00001 -0.00056 0.00000 126 4XY 0.00381 0.00028 -0.00002 0.00004 0.00121 127 4XZ 0.00002 0.00001 0.00004 0.00000 0.00001 128 4YZ -0.00002 0.00019 0.00454 0.00002 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00001 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00002 0.00002 132 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 134 3S -0.00002 0.00000 0.00000 0.00006 -0.00013 135 3PX 0.00000 0.00005 -0.00002 0.00023 0.00004 136 3PY -0.00004 -0.00002 0.00000 0.00003 -0.00006 137 3PZ 0.00001 0.00000 0.00000 -0.00001 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00003 0.00000 150 3PX 0.00000 0.00001 0.00000 0.00012 -0.00004 151 3PY 0.00000 0.00000 0.00000 0.00005 0.00005 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00001 0.00001 161 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00002 0.00000 0.00000 -0.00009 0.00020 165 3PX -0.00004 0.00000 0.00000 0.00011 -0.00010 166 3PY 0.00001 0.00000 0.00000 0.00002 0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00001 0.00001 175 2S -0.00001 0.00000 0.00000 -0.00019 -0.00059 176 2PX -0.00002 0.00000 0.00002 -0.00015 -0.00010 177 2PY 0.00000 0.00000 0.00000 0.00002 -0.00004 178 2PZ 0.00001 0.00000 0.00000 0.00006 0.00011 179 3S -0.00070 -0.00004 -0.00023 0.00028 -0.00303 180 3PX 0.00093 -0.00010 0.00060 -0.00030 0.00162 181 3PY -0.00001 -0.00002 0.00000 -0.00001 -0.00016 182 3PZ -0.00009 0.00000 -0.00008 0.00009 0.00015 183 4XX 0.00001 0.00000 0.00000 0.00001 0.00010 184 4YY 0.00000 0.00000 0.00000 0.00001 -0.00002 185 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00001 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00002 -0.00002 195 20 H 1S -0.00001 0.00000 0.00000 0.00002 -0.00027 196 2S -0.00012 -0.00004 0.00009 0.00016 0.00098 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00001 -0.00002 199 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 200 2PY 0.00000 0.00000 0.00000 -0.00011 -0.00011 201 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 202 3S -0.00003 0.00004 -0.00006 0.00003 0.00002 203 3PX -0.00028 -0.00011 -0.00018 -0.00004 -0.00053 204 3PY -0.00016 0.00000 0.00007 -0.00062 -0.00045 205 3PZ 0.00005 -0.00001 0.00004 -0.00037 0.00012 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00010 -0.00007 0.00012 -0.00040 0.00032 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 -0.00002 0.00001 91 92 93 94 95 91 3PY 0.03597 92 3PZ 0.00000 0.06508 93 4XX 0.00000 0.00000 0.00216 94 4YY 0.00000 0.00000 -0.00040 0.00226 95 4ZZ 0.00000 0.00000 0.00032 -0.00023 0.00175 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00006 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY -0.00014 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00027 0.00000 0.00001 -0.00074 0.00000 115 2S -0.01433 0.00001 -0.00067 0.00815 -0.00056 116 2PX -0.00030 -0.00007 0.00010 0.00028 0.00000 117 2PY -0.00467 0.00021 -0.00145 0.00257 -0.00134 118 2PZ -0.00011 0.02349 -0.00001 0.00015 0.00004 119 3S -0.02238 -0.00022 -0.00255 0.01163 -0.00197 120 3PX -0.00053 -0.00010 -0.00008 0.00025 0.00004 121 3PY -0.00172 0.00029 -0.00439 0.00160 -0.00407 122 3PZ -0.00020 0.05178 -0.00002 0.00013 -0.00003 123 4XX 0.00121 0.00000 0.00007 -0.00013 0.00002 124 4YY -0.00155 0.00008 -0.00024 -0.00002 -0.00025 125 4ZZ 0.00106 -0.00002 0.00002 -0.00010 0.00006 126 4XY -0.00001 -0.00001 0.00001 0.00003 0.00000 127 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00169 0.00000 0.00001 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00001 -0.00002 0.00000 0.00000 0.00000 132 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 134 3S 0.00008 -0.00001 0.00000 0.00000 0.00000 135 3PX 0.00010 -0.00014 0.00000 0.00000 0.00000 136 3PY 0.00004 -0.00005 0.00000 0.00000 0.00000 137 3PZ -0.00003 0.00004 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00012 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 165 3PX 0.00012 0.00000 0.00000 0.00000 0.00000 166 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00013 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00009 0.00000 0.00000 0.00000 176 2PX -0.00020 0.00015 0.00001 0.00000 0.00000 177 2PY -0.00002 -0.00001 0.00000 0.00000 0.00000 178 2PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 179 3S -0.00007 -0.00102 0.00002 0.00000 -0.00001 180 3PX -0.00036 0.00123 0.00025 -0.00004 -0.00009 181 3PY 0.00034 0.00002 0.00001 0.00000 0.00000 182 3PZ 0.00005 0.00000 0.00008 -0.00001 -0.00001 183 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 184 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00002 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 195 20 H 1S 0.00006 -0.00008 0.00000 0.00000 0.00000 196 2S -0.00007 0.00012 -0.00005 0.00002 0.00001 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00004 -0.00007 0.00000 0.00000 0.00000 199 2PX -0.00011 -0.00006 0.00000 0.00000 0.00000 200 2PY -0.00008 0.00003 0.00000 0.00000 0.00000 201 2PZ -0.00011 -0.00003 0.00000 0.00000 0.00000 202 3S -0.00026 -0.00021 0.00000 0.00000 0.00000 203 3PX -0.00024 -0.00060 0.00001 0.00001 -0.00001 204 3PY -0.00012 0.00017 0.00000 0.00000 0.00001 205 3PZ -0.00058 0.00006 0.00000 0.00000 0.00001 206 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00007 -0.00004 0.00000 0.00000 0.00000 213 2S -0.00047 0.00056 -0.00003 0.00000 0.00005 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00002 0.00005 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00399 97 4XZ 0.00000 0.00058 98 4YZ 0.00000 0.00000 0.00308 99 11 O 1S 0.00000 0.00000 0.00000 2.07880 100 2S 0.00000 0.00000 0.00000 -0.04267 0.50275 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.04121 0.45937 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00040 -0.00581 109 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00610 110 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00475 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00002 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00017 0.00001 0.00009 0.00000 0.00000 116 2PX 0.00738 0.00003 0.00006 0.00000 0.00000 117 2PY 0.00036 0.00002 0.00015 0.00000 0.00000 118 2PZ 0.00006 0.00004 0.00633 0.00000 0.00000 119 3S 0.00007 0.00001 0.00004 0.00000 0.00000 120 3PX 0.00801 0.00003 0.00003 0.00000 0.00000 121 3PY 0.00009 0.00001 0.00003 0.00000 0.00000 122 3PZ 0.00003 0.00004 0.00667 0.00000 0.00000 123 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00004 0.00000 0.00002 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 126 4XY 0.00061 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00001 0.00064 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00001 0.00001 0.00000 0.00000 0.00000 180 3PX 0.00001 0.00005 0.00001 0.00000 0.00000 181 3PY -0.00002 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00009 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00004 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00001 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 204 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00001 0.00000 0.00001 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00001 0.00000 0.00002 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 2PX 0.74001 102 2PY 0.00000 0.60252 103 2PZ 0.00000 0.00000 0.64453 104 3S 0.00000 0.00000 0.00000 0.77264 105 3PX 0.25586 0.00000 0.00000 0.00000 0.35396 106 3PY 0.00000 0.16356 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.21808 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00800 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.01682 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00628 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 131 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 134 3S -0.00010 0.00003 -0.00002 -0.00029 -0.00099 135 3PX -0.00011 0.00001 -0.00005 -0.00002 -0.00094 136 3PY -0.00015 0.00000 0.00000 -0.00027 -0.00112 137 3PZ 0.00000 -0.00001 0.00001 0.00008 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00001 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00002 0.00003 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00003 190 2S 0.00056 -0.00003 0.00004 0.00069 0.00384 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 -0.00002 0.00006 203 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00004 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00008 205 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00005 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 107 108 109 110 106 3PY 0.17852 107 3PZ 0.00000 0.29554 108 4XX 0.00000 0.00000 0.00052 109 4YY 0.00000 0.00000 -0.00005 0.00322 110 4ZZ 0.00000 0.00000 0.00014 -0.00006 0.00042 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.00006 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00027 -0.00017 0.00000 0.00001 0.00000 135 3PX -0.00001 -0.00048 0.00001 0.00000 0.00000 136 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 137 3PZ -0.00002 0.00021 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX -0.00001 0.00001 0.00000 0.00000 0.00000 181 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00020 0.00030 0.00001 -0.00002 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00004 0.00002 0.00000 0.00000 0.00000 203 3PX 0.00004 -0.00001 0.00000 0.00000 0.00000 204 3PY -0.00003 -0.00005 0.00000 0.00000 0.00000 205 3PZ -0.00001 -0.00003 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00185 112 4XZ 0.00000 0.00006 113 4YZ 0.00000 0.00000 0.00195 114 12 O 1S 0.00000 0.00000 0.00000 2.07880 115 2S 0.00000 0.00000 0.00000 -0.04267 0.50275 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.04121 0.45937 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00040 -0.00581 124 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00610 125 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00475 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00001 0.00001 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00009 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2PX 0.74000 117 2PY 0.00000 0.60252 118 2PZ 0.00000 0.00000 0.64453 119 3S 0.00000 0.00000 0.00000 0.77265 120 3PX 0.25586 0.00000 0.00000 0.00000 0.35396 121 3PY 0.00000 0.16356 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.21808 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00800 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.01682 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00628 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00001 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00002 0.00003 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 178 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 179 3S -0.00010 0.00003 -0.00002 -0.00029 -0.00099 180 3PX -0.00011 0.00001 -0.00005 -0.00002 -0.00094 181 3PY -0.00015 0.00000 0.00000 -0.00027 -0.00112 182 3PZ 0.00000 -0.00001 0.00001 0.00008 -0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00003 196 2S 0.00056 -0.00003 0.00004 0.00069 0.00385 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 -0.00002 0.00006 203 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00004 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00008 205 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00005 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 121 122 123 124 125 121 3PY 0.17852 122 3PZ 0.00000 0.29554 123 4XX 0.00000 0.00000 0.00052 124 4YY 0.00000 0.00000 -0.00005 0.00322 125 4ZZ 0.00000 0.00000 0.00014 -0.00006 0.00042 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00001 0.00000 0.00000 0.00000 136 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2PX 0.00000 -0.00006 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00027 -0.00017 0.00000 0.00001 0.00000 180 3PX -0.00001 -0.00048 0.00001 0.00000 0.00000 181 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 182 3PZ -0.00002 0.00021 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S -0.00020 0.00030 0.00001 -0.00002 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00004 0.00002 0.00000 0.00000 0.00000 203 3PX 0.00004 -0.00001 0.00000 0.00000 0.00000 204 3PY -0.00003 -0.00005 0.00000 0.00000 0.00000 205 3PZ -0.00001 -0.00003 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 126 127 128 129 130 126 4XY 0.00185 127 4XZ 0.00000 0.00006 128 4YZ 0.00000 0.00000 0.00195 129 13 C 1S 0.00000 0.00000 0.00000 2.05588 130 2S 0.00000 0.00000 0.00000 -0.01390 0.33136 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03805 0.25401 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00095 -0.00812 139 4YY 0.00000 0.00000 0.00000 -0.00152 0.00216 140 4ZZ 0.00000 0.00000 0.00000 -0.00101 -0.00708 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00045 145 2S 0.00000 0.00000 0.00000 -0.00049 0.01003 146 2PX 0.00000 0.00000 0.00000 -0.00161 0.02420 147 2PY 0.00000 0.00000 0.00000 -0.00029 0.00507 148 2PZ 0.00000 0.00000 0.00000 -0.00069 0.01081 149 3S 0.00000 0.00000 0.00000 0.00086 0.00257 150 3PX 0.00000 0.00000 0.00000 -0.00057 0.01205 151 3PY 0.00000 0.00000 0.00000 -0.00027 0.00199 152 3PZ 0.00000 0.00000 0.00000 0.00043 0.00072 153 4XX 0.00000 0.00000 0.00000 -0.00006 0.00108 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00059 155 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00013 156 4XY 0.00000 0.00000 0.00000 -0.00005 0.00055 157 4XZ 0.00000 0.00000 0.00000 -0.00012 0.00128 158 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00031 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00023 161 2PX 0.00000 0.00000 0.00000 0.00000 -0.00014 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00045 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 164 3S 0.00000 0.00000 0.00000 0.00005 -0.00233 165 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00014 166 3PY 0.00000 0.00000 0.00000 0.00007 -0.00249 167 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00013 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00004 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00018 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00055 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S -0.00001 0.00000 0.00000 0.00018 -0.00251 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY -0.00001 0.00000 0.00000 0.00029 -0.00282 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00010 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 -0.00213 0.03297 190 2S 0.00000 0.00000 0.00000 -0.00137 0.01288 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 192 2S 0.00000 0.00000 0.00000 0.00020 -0.00277 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00001 0.00018 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00001 0.00001 0.00000 0.00000 0.00017 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 198 2S 0.00000 0.00000 0.00000 -0.00020 0.00539 199 2PX 0.00000 0.00000 0.00000 -0.00008 0.00134 200 2PY 0.00000 0.00000 0.00000 -0.00086 0.01753 201 2PZ 0.00000 0.00000 0.00000 -0.00053 0.01024 202 3S 0.00000 0.00000 0.00000 0.00024 0.00296 203 3PX 0.00000 0.00000 0.00000 -0.00002 0.00076 204 3PY 0.00000 0.00000 0.00000 -0.00071 0.01147 205 3PZ 0.00000 0.00000 0.00000 -0.00049 0.00732 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00028 207 4YY 0.00000 0.00000 0.00000 -0.00005 0.00098 208 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 209 4XY 0.00000 0.00000 0.00000 -0.00002 0.00028 210 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00019 211 4YZ 0.00000 0.00000 0.00000 -0.00008 0.00144 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00009 213 2S 0.00000 0.00000 0.00000 0.00013 -0.00182 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 215 2S 0.00000 0.00000 0.00000 0.00020 -0.00344 131 132 133 134 135 131 2PX 0.36493 132 2PY 0.00000 0.42724 133 2PZ 0.00000 0.00000 0.35262 134 3S 0.00000 0.00000 0.00000 0.34826 135 3PX 0.10894 0.00000 0.00000 0.00000 0.12345 136 3PY 0.00000 0.07727 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.09448 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00815 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00396 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00504 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00153 -0.00024 -0.00083 -0.00050 -0.00113 145 2S 0.02457 0.00323 0.01296 0.01227 0.01519 146 2PX 0.01112 0.00781 0.04059 0.03049 -0.00002 147 2PY 0.01117 -0.00073 0.00541 0.00116 0.00500 148 2PZ 0.04405 0.00278 -0.00034 0.00463 0.02362 149 3S 0.01025 0.00561 0.00959 -0.01656 -0.00450 150 3PX -0.00048 0.00358 0.01834 0.02074 0.00734 151 3PY 0.00775 0.00381 0.00299 -0.00059 0.00626 152 3PZ 0.01847 0.00062 0.00380 -0.01150 0.01675 153 4XX -0.00085 0.00062 0.00157 0.00173 -0.00119 154 4YY -0.00079 0.00004 -0.00050 -0.00122 -0.00066 155 4ZZ 0.00052 0.00018 -0.00045 -0.00018 0.00120 156 4XY 0.00037 0.00030 0.00061 0.00033 0.00001 157 4XZ 0.00088 0.00075 -0.00004 0.00037 0.00002 158 4YZ 0.00067 0.00020 0.00003 0.00025 0.00020 159 15 C 1S 0.00000 0.00000 0.00000 0.00010 0.00006 160 2S -0.00020 -0.00046 -0.00005 -0.00270 -0.00163 161 2PX 0.00001 -0.00027 0.00004 -0.00178 0.00000 162 2PY -0.00045 -0.00043 -0.00027 0.00009 -0.00165 163 2PZ -0.00007 -0.00015 0.00001 -0.00284 -0.00152 164 3S 0.00232 -0.00784 0.00025 -0.00575 0.00656 165 3PX 0.00015 -0.00131 0.00024 -0.00012 -0.00236 166 3PY 0.00083 -0.00408 -0.00075 0.00124 0.00290 167 3PZ 0.00081 -0.00037 -0.00042 -0.00479 -0.00073 168 4XX 0.00001 0.00000 -0.00001 -0.00005 0.00017 169 4YY 0.00005 0.00008 0.00003 0.00038 0.00006 170 4ZZ -0.00001 0.00001 0.00000 0.00004 -0.00014 171 4XY 0.00001 0.00009 0.00008 0.00026 0.00000 172 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00009 0.00004 0.00000 0.00005 0.00024 174 16 C 1S 0.00000 0.00000 0.00000 0.00018 0.00000 175 2S 0.00000 -0.00055 0.00000 -0.00251 0.00000 176 2PX -0.00025 0.00000 0.00000 0.00000 -0.00421 177 2PY 0.00000 -0.00120 0.00000 -0.00475 0.00000 178 2PZ 0.00000 0.00000 -0.00024 0.00000 0.00000 179 3S 0.00000 -0.00475 0.00000 -0.00608 0.00000 180 3PX -0.00421 0.00000 0.00000 0.00000 -0.01652 181 3PY 0.00000 -0.00194 0.00000 -0.00411 0.00000 182 3PZ 0.00000 0.00000 -0.00261 0.00000 0.00000 183 4XX 0.00000 -0.00001 0.00000 -0.00022 0.00000 184 4YY 0.00000 0.00040 0.00000 0.00080 0.00000 185 4ZZ 0.00000 -0.00002 0.00000 -0.00005 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 -0.00005 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 189 17 H 1S 0.00305 0.09119 0.00516 0.05175 0.00081 190 2S 0.00078 0.05326 0.00338 0.03044 -0.00109 191 18 H 1S -0.00035 0.00000 -0.00022 -0.00359 -0.00280 192 2S -0.00599 -0.00015 -0.00349 -0.01410 -0.01157 193 19 H 1S 0.00000 0.00000 0.00000 0.00014 0.00016 194 2S 0.00028 0.00020 0.00010 0.00191 0.00198 195 20 H 1S 0.00000 0.00000 0.00000 0.00012 0.00001 196 2S 0.00002 0.00049 0.00000 0.00188 0.00017 197 21 C 1S -0.00011 -0.00077 -0.00046 -0.00006 -0.00003 198 2S 0.00244 0.01452 0.00889 0.00588 0.00106 199 2PX 0.00028 0.00328 0.00315 0.00168 0.00054 200 2PY 0.00568 0.02276 0.02640 0.01304 0.00336 201 2PZ 0.00412 0.02073 0.00377 0.01279 0.00172 202 3S 0.00143 0.01982 0.00991 -0.01243 -0.00060 203 3PX 0.00294 0.00168 0.00193 -0.00008 0.00318 204 3PY 0.00407 0.00400 0.01756 0.00258 0.00289 205 3PZ 0.00133 0.01122 -0.00216 0.00530 0.00031 206 4XX 0.00003 -0.00033 -0.00029 -0.00141 -0.00015 207 4YY 0.00037 -0.00063 0.00108 0.00220 0.00022 208 4ZZ -0.00006 0.00041 -0.00028 -0.00001 0.00002 209 4XY 0.00046 0.00031 0.00054 0.00012 0.00059 210 4XZ 0.00016 0.00037 -0.00002 0.00004 0.00009 211 4YZ 0.00048 0.00153 0.00006 0.00071 0.00020 212 22 H 1S -0.00012 -0.00010 -0.00019 -0.00227 -0.00092 213 2S -0.00308 -0.00138 -0.00190 -0.01044 -0.00477 214 23 H 1S 0.00004 -0.00016 -0.00005 -0.00237 0.00022 215 2S 0.00020 -0.00222 -0.00269 -0.00857 0.00026 136 137 138 139 140 136 3PY 0.05500 137 3PZ 0.00000 0.08841 138 4XX 0.00000 0.00000 0.00154 139 4YY 0.00000 0.00000 -0.00027 0.00174 140 4ZZ 0.00000 0.00000 0.00007 -0.00014 0.00111 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00037 -0.00046 -0.00007 0.00001 0.00000 145 2S 0.00423 0.00539 0.00120 -0.00062 -0.00008 146 2PX 0.00509 0.01899 -0.00106 -0.00057 0.00026 147 2PY 0.00400 0.00229 0.00056 0.00003 0.00002 148 2PZ -0.00033 0.00303 0.00226 -0.00051 -0.00053 149 3S 0.00367 0.00515 0.00227 -0.00248 0.00087 150 3PX 0.00310 0.01573 -0.00134 -0.00055 0.00130 151 3PY 0.00588 0.00141 0.00047 -0.00021 -0.00016 152 3PZ -0.00171 0.01117 0.00229 -0.00075 -0.00091 153 4XX 0.00018 0.00145 -0.00004 -0.00003 0.00004 154 4YY -0.00025 -0.00054 -0.00002 0.00003 0.00000 155 4ZZ -0.00003 -0.00077 -0.00001 0.00001 -0.00001 156 4XY 0.00020 0.00011 0.00001 0.00000 -0.00005 157 4XZ 0.00008 0.00004 0.00001 -0.00004 -0.00001 158 4YZ -0.00003 0.00001 -0.00006 0.00000 -0.00001 159 15 C 1S 0.00008 0.00001 0.00000 0.00000 0.00000 160 2S -0.00202 -0.00027 0.00000 0.00004 0.00000 161 2PX 0.00076 -0.00024 -0.00002 0.00005 0.00001 162 2PY 0.00288 -0.00151 -0.00001 0.00013 -0.00001 163 2PZ -0.00306 -0.00016 0.00004 -0.00001 0.00000 164 3S -0.01062 -0.00054 0.00015 0.00030 -0.00016 165 3PX 0.00252 -0.00089 -0.00016 0.00013 0.00010 166 3PY 0.00037 -0.00195 -0.00009 0.00058 -0.00020 167 3PZ -0.00477 -0.00149 0.00040 -0.00021 -0.00011 168 4XX 0.00001 -0.00007 0.00000 0.00000 0.00000 169 4YY 0.00038 0.00003 0.00000 -0.00001 0.00000 170 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00000 171 4XY 0.00016 0.00017 0.00000 0.00000 0.00000 172 4XZ -0.00002 -0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00003 0.00003 0.00000 0.00000 0.00000 174 16 C 1S 0.00029 0.00000 0.00000 0.00000 0.00000 175 2S -0.00282 0.00000 0.00000 0.00010 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY -0.00194 0.00000 -0.00001 0.00040 -0.00002 178 2PZ 0.00000 -0.00261 0.00000 0.00000 0.00000 179 3S -0.00411 0.00000 -0.00022 0.00080 -0.00005 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00166 0.00000 -0.00042 0.00116 -0.00010 182 3PZ 0.00000 -0.00772 0.00000 0.00000 0.00000 183 4XX -0.00042 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00116 0.00000 0.00000 0.00000 0.00000 185 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 189 17 H 1S 0.03928 0.00303 -0.00111 0.00585 -0.00102 190 2S 0.03043 0.00352 -0.00199 0.00496 -0.00177 191 18 H 1S 0.00013 -0.00131 0.00002 0.00000 0.00002 192 2S 0.00026 -0.00395 0.00002 -0.00004 0.00027 193 19 H 1S 0.00003 0.00006 0.00000 0.00000 0.00000 194 2S 0.00067 0.00051 0.00000 -0.00001 -0.00001 195 20 H 1S 0.00015 0.00001 0.00000 0.00000 0.00000 196 2S 0.00224 0.00001 0.00000 -0.00003 0.00001 197 21 C 1S -0.00087 -0.00018 0.00000 -0.00003 -0.00001 198 2S 0.01086 0.00390 -0.00033 0.00075 0.00020 199 2PX 0.00098 0.00120 0.00003 0.00026 0.00014 200 2PY 0.00227 0.01506 -0.00033 -0.00092 0.00052 201 2PZ 0.00916 -0.00138 -0.00039 0.00152 -0.00052 202 3S 0.01068 0.00366 -0.00030 0.00030 0.00053 203 3PX 0.00006 0.00122 -0.00016 0.00011 0.00012 204 3PY -0.00194 0.01319 -0.00044 -0.00073 0.00074 205 3PZ 0.00324 -0.00440 0.00019 0.00054 -0.00086 206 4XX -0.00062 -0.00026 0.00002 -0.00005 0.00001 207 4YY -0.00030 0.00082 -0.00004 0.00008 -0.00010 208 4ZZ 0.00039 -0.00046 -0.00001 -0.00004 0.00002 209 4XY 0.00003 0.00019 0.00000 -0.00002 -0.00002 210 4XZ 0.00005 0.00000 0.00000 0.00001 -0.00002 211 4YZ 0.00007 0.00001 -0.00003 -0.00009 0.00001 212 22 H 1S -0.00071 -0.00109 0.00003 -0.00001 0.00000 213 2S -0.00363 -0.00119 0.00052 -0.00026 -0.00007 214 23 H 1S -0.00101 -0.00139 0.00000 -0.00001 0.00009 215 2S -0.00372 -0.00529 0.00004 -0.00028 0.00068 141 142 143 144 145 141 4XY 0.00062 142 4XZ 0.00000 0.00068 143 4YZ 0.00000 0.00000 0.00095 144 14 C 1S -0.00005 -0.00013 -0.00002 2.05350 145 2S 0.00053 0.00143 0.00030 -0.01403 0.33137 146 2PX 0.00043 0.00111 0.00074 0.00000 0.00000 147 2PY 0.00039 0.00043 0.00022 0.00000 0.00000 148 2PZ 0.00076 -0.00001 0.00004 0.00000 0.00000 149 3S 0.00011 0.00045 0.00002 -0.03069 0.20794 150 3PX 0.00000 0.00003 0.00008 0.00000 0.00000 151 3PY 0.00011 0.00008 0.00001 0.00000 0.00000 152 3PZ 0.00009 0.00008 0.00002 0.00000 0.00000 153 4XX -0.00004 0.00000 -0.00002 -0.00122 -0.00487 154 4YY 0.00000 -0.00003 0.00000 -0.00138 -0.00167 155 4ZZ -0.00003 -0.00001 -0.00001 -0.00116 -0.00587 156 4XY -0.00002 -0.00002 -0.00002 0.00000 0.00000 157 4XZ -0.00001 0.00005 -0.00002 0.00000 0.00000 158 4YZ -0.00002 0.00001 -0.00001 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00051 160 2S 0.00003 0.00000 0.00003 -0.00051 0.01028 161 2PX 0.00000 0.00001 0.00003 0.00000 0.00000 162 2PY 0.00014 0.00000 0.00009 -0.00268 0.04097 163 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 164 3S 0.00016 -0.00001 0.00015 -0.00011 0.01191 165 3PX 0.00000 0.00001 0.00007 0.00000 0.00000 166 3PY 0.00017 -0.00001 0.00013 -0.00143 0.02198 167 3PZ 0.00004 0.00002 0.00001 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00050 169 4YY 0.00001 0.00000 0.00000 -0.00028 0.00379 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00048 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00023 176 2PX 0.00000 0.00000 0.00000 0.00000 -0.00020 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00046 178 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00005 179 3S 0.00000 0.00000 0.00000 0.00010 -0.00270 180 3PX -0.00005 0.00000 0.00000 0.00006 -0.00163 181 3PY 0.00000 0.00000 0.00000 0.00008 -0.00202 182 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00027 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00003 189 17 H 1S 0.00034 -0.00001 0.00097 0.00000 -0.00014 190 2S 0.00007 -0.00001 0.00020 0.00013 -0.00188 191 18 H 1S 0.00001 0.00002 0.00000 -0.00209 0.03229 192 2S 0.00003 0.00001 0.00003 -0.00126 0.01156 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 194 2S -0.00001 0.00000 -0.00001 0.00017 -0.00239 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00016 197 21 C 1S -0.00002 -0.00001 -0.00008 0.00000 0.00000 198 2S 0.00030 0.00012 0.00138 0.00000 -0.00015 199 2PX 0.00023 0.00027 0.00035 0.00000 -0.00023 200 2PY 0.00022 0.00014 0.00131 0.00000 -0.00004 201 2PZ 0.00036 0.00002 0.00029 0.00000 -0.00032 202 3S 0.00022 0.00004 0.00091 0.00016 -0.00284 203 3PX 0.00023 0.00023 0.00009 0.00010 -0.00137 204 3PY 0.00003 0.00001 0.00012 0.00002 -0.00059 205 3PZ 0.00010 0.00001 -0.00006 0.00020 -0.00300 206 4XX 0.00000 0.00000 -0.00001 0.00000 0.00002 207 4YY 0.00000 -0.00001 -0.00003 0.00000 0.00000 208 4ZZ -0.00001 0.00000 -0.00001 0.00000 0.00000 209 4XY 0.00000 -0.00001 0.00002 0.00000 0.00001 210 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00003 211 4YZ 0.00001 0.00001 0.00004 0.00000 0.00001 212 22 H 1S 0.00002 0.00003 0.00000 0.00000 0.00000 213 2S 0.00001 0.00013 -0.00005 0.00000 0.00018 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 0.00000 215 2S 0.00002 0.00004 0.00001 0.00000 -0.00004 146 147 148 149 150 146 2PX 0.37396 147 2PY 0.00000 0.41906 148 2PZ 0.00000 0.00000 0.37852 149 3S 0.00000 0.00000 0.00000 0.26432 150 3PX 0.08650 0.00000 0.00000 0.00000 0.08668 151 3PY 0.00000 0.07751 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.10543 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00234 0.00000 154 4YY 0.00000 0.00000 0.00000 -0.00098 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00365 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 -0.00268 0.00000 -0.00011 0.00000 160 2S 0.00000 0.04097 0.00000 0.01191 0.00000 161 2PX 0.01044 0.00000 0.00000 0.00000 0.01693 162 2PY 0.00000 0.09966 0.00000 0.02891 0.00000 163 2PZ 0.00000 0.00000 0.01328 0.00000 0.00000 164 3S 0.00000 0.02891 0.00000 -0.00801 0.00000 165 3PX 0.01693 0.00000 0.00000 0.00000 0.01839 166 3PY 0.00000 0.01817 0.00000 0.00597 0.00000 167 3PZ 0.00000 0.00000 0.02477 0.00000 0.00000 168 4XX 0.00000 -0.00124 0.00000 -0.00166 0.00000 169 4YY 0.00000 0.00251 0.00000 0.00355 0.00000 170 4ZZ 0.00000 -0.00107 0.00000 -0.00106 0.00000 171 4XY 0.00207 0.00000 0.00000 0.00000 0.00077 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00216 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00005 -0.00004 175 2S -0.00014 -0.00045 -0.00010 -0.00233 -0.00014 176 2PX 0.00001 -0.00045 -0.00007 0.00232 0.00015 177 2PY -0.00027 -0.00043 -0.00015 -0.00784 -0.00131 178 2PZ 0.00004 -0.00027 0.00001 0.00025 0.00024 179 3S -0.00178 0.00009 -0.00284 -0.00575 -0.00012 180 3PX 0.00000 -0.00165 -0.00152 0.00656 -0.00236 181 3PY 0.00076 0.00288 -0.00306 -0.01062 0.00252 182 3PZ -0.00024 -0.00151 -0.00016 -0.00054 -0.00089 183 4XX -0.00002 -0.00001 0.00004 0.00015 -0.00016 184 4YY 0.00005 0.00013 -0.00001 0.00030 0.00013 185 4ZZ 0.00001 -0.00001 0.00000 -0.00016 0.00010 186 4XY 0.00000 0.00014 0.00002 0.00016 0.00000 187 4XZ 0.00001 0.00000 0.00000 -0.00001 0.00001 188 4YZ 0.00003 0.00009 0.00000 0.00015 0.00007 189 17 H 1S -0.00020 -0.00026 -0.00010 -0.00389 -0.00182 190 2S -0.00198 -0.00394 -0.00125 -0.01349 -0.00444 191 18 H 1S 0.03353 0.03329 0.03206 0.04923 0.01231 192 2S 0.02102 0.02026 0.02052 0.04172 0.00872 193 19 H 1S -0.00006 -0.00049 -0.00004 -0.00377 0.00007 194 2S -0.00094 -0.00739 -0.00098 -0.01524 0.00047 195 20 H 1S 0.00000 0.00000 0.00000 0.00017 0.00003 196 2S 0.00012 0.00049 -0.00006 0.00219 0.00082 197 21 C 1S 0.00000 0.00000 0.00000 0.00013 0.00006 198 2S -0.00009 -0.00005 -0.00036 -0.00244 -0.00021 199 2PX 0.00000 -0.00002 -0.00047 -0.00250 0.00016 200 2PY -0.00020 0.00000 -0.00003 0.00149 0.00009 201 2PZ -0.00051 -0.00012 -0.00008 -0.00394 -0.00257 202 3S -0.00245 -0.00208 -0.00111 -0.00750 -0.00378 203 3PX -0.00028 -0.00027 0.00011 -0.00397 -0.00008 204 3PY -0.00159 -0.00027 -0.00084 0.00333 -0.00032 205 3PZ -0.00587 -0.00185 0.00235 -0.00673 -0.00957 206 4XX 0.00000 0.00000 0.00008 0.00033 -0.00001 207 4YY -0.00001 0.00000 -0.00001 -0.00014 -0.00014 208 4ZZ 0.00008 -0.00001 -0.00003 -0.00002 0.00041 209 4XY 0.00000 0.00000 0.00005 0.00001 -0.00004 210 4XZ 0.00002 -0.00001 0.00012 0.00008 -0.00001 211 4YZ 0.00003 0.00000 0.00000 0.00008 0.00009 212 22 H 1S 0.00000 0.00000 0.00000 0.00013 0.00002 213 2S 0.00002 -0.00001 0.00045 0.00188 -0.00029 214 23 H 1S 0.00000 0.00000 -0.00002 0.00003 0.00027 215 2S 0.00010 0.00003 -0.00055 0.00084 0.00045 151 152 153 154 155 151 3PY 0.05455 152 3PZ 0.00000 0.11049 153 4XX 0.00000 0.00000 0.00095 154 4YY 0.00000 0.00000 -0.00012 0.00112 155 4ZZ 0.00000 0.00000 0.00008 -0.00004 0.00080 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00143 0.00000 0.00000 -0.00028 0.00000 160 2S 0.02198 0.00000 -0.00050 0.00379 -0.00048 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01817 0.00000 -0.00124 0.00251 -0.00107 163 2PZ 0.00000 0.02477 0.00000 0.00000 0.00000 164 3S 0.00597 0.00000 -0.00166 0.00355 -0.00106 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00220 0.00000 -0.00154 0.00086 -0.00089 167 3PZ 0.00000 0.04207 0.00000 0.00000 0.00000 168 4XX -0.00154 0.00000 0.00002 -0.00003 0.00001 169 4YY 0.00086 0.00000 -0.00003 -0.00008 -0.00004 170 4ZZ -0.00089 0.00000 0.00001 -0.00004 0.00002 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00100 0.00000 0.00000 0.00000 174 16 C 1S 0.00007 -0.00001 0.00000 0.00000 0.00000 175 2S -0.00249 -0.00013 0.00000 0.00004 0.00000 176 2PX 0.00083 0.00081 0.00001 0.00005 -0.00001 177 2PY -0.00408 -0.00037 0.00000 0.00008 0.00001 178 2PZ -0.00075 -0.00042 -0.00001 0.00003 0.00000 179 3S 0.00124 -0.00479 -0.00005 0.00038 0.00004 180 3PX 0.00290 -0.00073 0.00017 0.00006 -0.00014 181 3PY 0.00037 -0.00477 0.00001 0.00038 -0.00011 182 3PZ -0.00195 -0.00149 -0.00007 0.00003 0.00006 183 4XX -0.00009 0.00040 0.00000 0.00000 0.00000 184 4YY 0.00058 -0.00021 0.00000 -0.00001 0.00000 185 4ZZ -0.00020 -0.00011 0.00000 0.00000 0.00000 186 4XY 0.00017 0.00004 0.00000 0.00001 0.00000 187 4XZ -0.00001 0.00002 0.00000 0.00000 0.00000 188 4YZ 0.00013 0.00001 0.00000 0.00000 0.00000 189 17 H 1S -0.00026 -0.00108 -0.00001 0.00004 0.00000 190 2S -0.00136 -0.00280 -0.00031 0.00058 -0.00004 191 18 H 1S 0.01321 0.01384 -0.00001 -0.00034 0.00021 192 2S 0.00979 0.01225 0.00063 -0.00034 0.00095 193 19 H 1S -0.00364 0.00007 0.00000 0.00001 0.00000 194 2S -0.01304 -0.00051 0.00016 -0.00032 0.00018 195 20 H 1S 0.00032 -0.00004 0.00000 0.00000 0.00000 196 2S 0.00324 -0.00068 0.00000 -0.00002 -0.00001 197 21 C 1S 0.00001 0.00017 0.00000 0.00000 0.00000 198 2S -0.00010 -0.00321 0.00001 0.00000 0.00002 199 2PX 0.00039 -0.00314 0.00000 -0.00001 0.00005 200 2PY -0.00117 0.00068 0.00001 0.00000 0.00002 201 2PZ 0.00017 -0.00035 0.00004 -0.00001 0.00004 202 3S -0.00273 -0.00073 0.00015 -0.00016 0.00034 203 3PX 0.00026 -0.00099 -0.00002 -0.00009 0.00029 204 3PY -0.00335 0.00065 0.00000 -0.00002 0.00011 205 3PZ -0.00115 0.00369 0.00021 -0.00019 0.00030 206 4XX -0.00005 0.00056 0.00000 0.00000 0.00000 207 4YY 0.00003 -0.00015 0.00000 0.00000 0.00000 208 4ZZ -0.00003 -0.00025 0.00000 0.00000 0.00000 209 4XY 0.00001 0.00010 0.00000 0.00000 0.00000 210 4XZ -0.00003 0.00022 0.00000 0.00000 0.00000 211 4YZ -0.00004 -0.00002 0.00000 0.00000 0.00000 212 22 H 1S -0.00003 0.00021 0.00000 0.00000 0.00000 213 2S -0.00020 0.00284 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00002 -0.00120 0.00000 0.00000 0.00000 215 2S 0.00005 -0.00180 0.00000 0.00000 -0.00003 156 157 158 159 160 156 4XY 0.00112 157 4XZ 0.00000 0.00077 158 4YZ 0.00000 0.00000 0.00107 159 15 C 1S 0.00000 0.00000 0.00000 2.05350 160 2S 0.00000 0.00000 0.00000 -0.01403 0.33137 161 2PX 0.00207 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00216 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.03069 0.20794 165 3PX 0.00077 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00100 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00122 -0.00487 169 4YY 0.00000 0.00000 0.00000 -0.00138 -0.00167 170 4ZZ 0.00000 0.00000 0.00000 -0.00116 -0.00587 171 4XY -0.00012 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00049 175 2S 0.00004 0.00000 0.00002 -0.00045 0.01003 176 2PX 0.00001 0.00000 0.00009 -0.00153 0.02457 177 2PY 0.00009 0.00001 0.00004 -0.00024 0.00323 178 2PZ 0.00008 0.00000 0.00000 -0.00083 0.01296 179 3S 0.00026 0.00000 0.00005 -0.00050 0.01227 180 3PX 0.00000 0.00000 0.00024 -0.00113 0.01519 181 3PY 0.00016 -0.00002 0.00003 -0.00037 0.00423 182 3PZ 0.00017 -0.00001 0.00003 -0.00046 0.00539 183 4XX 0.00000 0.00000 0.00000 -0.00007 0.00120 184 4YY 0.00000 0.00000 0.00000 0.00001 -0.00062 185 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00008 186 4XY 0.00000 0.00000 0.00000 -0.00005 0.00053 187 4XZ 0.00000 0.00000 0.00000 -0.00013 0.00143 188 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00030 189 17 H 1S 0.00003 -0.00001 0.00003 0.00000 0.00000 190 2S 0.00005 -0.00008 0.00012 0.00000 0.00016 191 18 H 1S 0.00199 0.00152 0.00192 0.00000 -0.00014 192 2S 0.00042 0.00024 0.00042 0.00017 -0.00239 193 19 H 1S 0.00003 0.00000 0.00002 -0.00209 0.03229 194 2S 0.00014 0.00001 0.00013 -0.00126 0.01156 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 196 2S -0.00001 0.00000 0.00000 0.00013 -0.00188 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00001 0.00002 0.00000 0.00000 -0.00015 199 2PX 0.00001 0.00003 0.00001 0.00000 -0.00023 200 2PY 0.00000 0.00003 0.00000 0.00000 -0.00004 201 2PZ 0.00002 0.00009 0.00002 0.00000 -0.00032 202 3S 0.00004 0.00013 0.00005 0.00016 -0.00284 203 3PX 0.00001 0.00004 0.00003 0.00010 -0.00137 204 3PY -0.00006 0.00006 -0.00004 0.00002 -0.00059 205 3PZ 0.00001 0.00015 0.00008 0.00020 -0.00300 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00001 0.00000 0.00000 0.00018 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00002 -0.00001 0.00000 -0.00004 161 162 163 164 165 161 2PX 0.37396 162 2PY 0.00000 0.41906 163 2PZ 0.00000 0.00000 0.37852 164 3S 0.00000 0.00000 0.00000 0.26432 165 3PX 0.08650 0.00000 0.00000 0.00000 0.08668 166 3PY 0.00000 0.07751 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.10543 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00234 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00098 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00365 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S -0.00161 -0.00029 -0.00069 0.00086 -0.00057 175 2S 0.02420 0.00507 0.01081 0.00257 0.01205 176 2PX 0.01112 0.01117 0.04405 0.01025 -0.00048 177 2PY 0.00781 -0.00073 0.00278 0.00561 0.00358 178 2PZ 0.04059 0.00541 -0.00034 0.00959 0.01834 179 3S 0.03049 0.00116 0.00463 -0.01656 0.02074 180 3PX -0.00002 0.00500 0.02362 -0.00450 0.00734 181 3PY 0.00509 0.00400 -0.00033 0.00367 0.00310 182 3PZ 0.01899 0.00229 0.00303 0.00515 0.01573 183 4XX -0.00106 0.00056 0.00226 0.00227 -0.00134 184 4YY -0.00057 0.00003 -0.00051 -0.00248 -0.00055 185 4ZZ 0.00026 0.00002 -0.00053 0.00087 0.00130 186 4XY 0.00043 0.00039 0.00076 0.00011 0.00000 187 4XZ 0.00111 0.00043 -0.00001 0.00045 0.00003 188 4YZ 0.00074 0.00022 0.00004 0.00002 0.00008 189 17 H 1S 0.00000 0.00000 0.00000 0.00017 0.00003 190 2S 0.00012 0.00049 -0.00006 0.00219 0.00082 191 18 H 1S -0.00006 -0.00049 -0.00004 -0.00377 0.00007 192 2S -0.00094 -0.00739 -0.00098 -0.01524 0.00047 193 19 H 1S 0.03353 0.03329 0.03206 0.04923 0.01231 194 2S 0.02102 0.02026 0.02052 0.04172 0.00872 195 20 H 1S -0.00020 -0.00026 -0.00010 -0.00389 -0.00182 196 2S -0.00198 -0.00394 -0.00125 -0.01349 -0.00444 197 21 C 1S 0.00000 0.00000 0.00000 0.00013 0.00006 198 2S -0.00009 -0.00005 -0.00036 -0.00244 -0.00021 199 2PX 0.00000 -0.00002 -0.00047 -0.00250 0.00016 200 2PY -0.00020 0.00000 -0.00003 0.00149 0.00009 201 2PZ -0.00051 -0.00012 -0.00008 -0.00394 -0.00257 202 3S -0.00245 -0.00208 -0.00111 -0.00750 -0.00378 203 3PX -0.00028 -0.00027 0.00011 -0.00397 -0.00008 204 3PY -0.00159 -0.00027 -0.00084 0.00333 -0.00032 205 3PZ -0.00587 -0.00185 0.00235 -0.00673 -0.00957 206 4XX 0.00000 0.00000 0.00008 0.00033 -0.00001 207 4YY -0.00001 0.00000 -0.00001 -0.00014 -0.00014 208 4ZZ 0.00008 -0.00001 -0.00003 -0.00002 0.00041 209 4XY 0.00000 0.00000 0.00005 0.00001 -0.00004 210 4XZ 0.00002 -0.00001 0.00012 0.00008 -0.00001 211 4YZ 0.00003 0.00000 0.00000 0.00008 0.00009 212 22 H 1S 0.00000 0.00000 0.00000 0.00013 0.00002 213 2S 0.00002 -0.00001 0.00045 0.00188 -0.00029 214 23 H 1S 0.00000 0.00000 -0.00002 0.00003 0.00027 215 2S 0.00010 0.00003 -0.00055 0.00084 0.00045 166 167 168 169 170 166 3PY 0.05455 167 3PZ 0.00000 0.11049 168 4XX 0.00000 0.00000 0.00095 169 4YY 0.00000 0.00000 -0.00012 0.00112 170 4ZZ 0.00000 0.00000 0.00008 -0.00004 0.00080 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S -0.00027 0.00043 -0.00006 0.00001 -0.00001 175 2S 0.00199 0.00072 0.00108 -0.00059 0.00013 176 2PX 0.00775 0.01847 -0.00085 -0.00079 0.00052 177 2PY 0.00381 0.00062 0.00062 0.00004 0.00018 178 2PZ 0.00299 0.00380 0.00157 -0.00050 -0.00045 179 3S -0.00059 -0.01150 0.00173 -0.00122 -0.00018 180 3PX 0.00626 0.01675 -0.00119 -0.00066 0.00120 181 3PY 0.00588 -0.00171 0.00018 -0.00025 -0.00003 182 3PZ 0.00141 0.01117 0.00145 -0.00054 -0.00077 183 4XX 0.00047 0.00229 -0.00004 -0.00002 -0.00001 184 4YY -0.00021 -0.00075 -0.00003 0.00003 0.00001 185 4ZZ -0.00016 -0.00091 0.00004 0.00000 -0.00001 186 4XY 0.00011 0.00009 -0.00004 0.00000 -0.00003 187 4XZ 0.00008 0.00008 0.00000 -0.00003 -0.00001 188 4YZ 0.00001 0.00002 -0.00002 0.00000 -0.00001 189 17 H 1S 0.00032 -0.00004 0.00000 0.00000 0.00000 190 2S 0.00324 -0.00068 0.00000 -0.00002 -0.00001 191 18 H 1S -0.00364 0.00007 0.00000 0.00001 0.00000 192 2S -0.01304 -0.00051 0.00016 -0.00032 0.00018 193 19 H 1S 0.01321 0.01384 -0.00001 -0.00034 0.00021 194 2S 0.00979 0.01225 0.00063 -0.00034 0.00095 195 20 H 1S -0.00026 -0.00108 -0.00001 0.00004 0.00000 196 2S -0.00136 -0.00280 -0.00031 0.00058 -0.00004 197 21 C 1S 0.00001 0.00017 0.00000 0.00000 0.00000 198 2S -0.00010 -0.00321 0.00001 0.00000 0.00002 199 2PX 0.00039 -0.00314 0.00000 -0.00001 0.00005 200 2PY -0.00117 0.00068 0.00001 0.00000 0.00002 201 2PZ 0.00017 -0.00035 0.00004 -0.00001 0.00004 202 3S -0.00273 -0.00073 0.00015 -0.00016 0.00034 203 3PX 0.00026 -0.00099 -0.00002 -0.00009 0.00029 204 3PY -0.00335 0.00065 0.00000 -0.00002 0.00011 205 3PZ -0.00115 0.00369 0.00021 -0.00019 0.00030 206 4XX -0.00005 0.00056 0.00000 0.00000 0.00000 207 4YY 0.00003 -0.00015 0.00000 0.00000 0.00000 208 4ZZ -0.00003 -0.00025 0.00000 0.00000 0.00000 209 4XY 0.00001 0.00010 0.00000 0.00000 0.00000 210 4XZ -0.00003 0.00022 0.00000 0.00000 0.00000 211 4YZ -0.00004 -0.00002 0.00000 0.00000 0.00000 212 22 H 1S -0.00003 0.00021 0.00000 0.00000 0.00000 213 2S -0.00020 0.00284 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00002 -0.00120 0.00000 0.00000 0.00000 215 2S 0.00005 -0.00180 0.00000 0.00000 -0.00003 171 172 173 174 175 171 4XY 0.00112 172 4XZ 0.00000 0.00077 173 4YZ 0.00000 0.00000 0.00107 174 16 C 1S -0.00005 -0.00012 -0.00003 2.05588 175 2S 0.00055 0.00128 0.00031 -0.01390 0.33136 176 2PX 0.00037 0.00088 0.00067 0.00000 0.00000 177 2PY 0.00030 0.00075 0.00020 0.00000 0.00000 178 2PZ 0.00061 -0.00004 0.00003 0.00000 0.00000 179 3S 0.00033 0.00037 0.00025 -0.03805 0.25401 180 3PX 0.00001 0.00002 0.00020 0.00000 0.00000 181 3PY 0.00020 0.00008 -0.00003 0.00000 0.00000 182 3PZ 0.00011 0.00004 0.00001 0.00000 0.00000 183 4XX 0.00001 0.00001 -0.00006 -0.00095 -0.00812 184 4YY 0.00000 -0.00004 0.00000 -0.00152 0.00216 185 4ZZ -0.00005 -0.00001 -0.00001 -0.00101 -0.00708 186 4XY -0.00002 -0.00001 -0.00002 0.00000 0.00000 187 4XZ -0.00002 0.00005 0.00001 0.00000 0.00000 188 4YZ -0.00002 -0.00002 -0.00001 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00001 0.00000 0.00000 0.00000 0.00017 191 18 H 1S 0.00003 0.00000 0.00002 0.00000 0.00000 192 2S 0.00014 0.00001 0.00013 -0.00001 0.00018 193 19 H 1S 0.00199 0.00152 0.00192 0.00000 -0.00014 194 2S 0.00042 0.00024 0.00042 0.00020 -0.00277 195 20 H 1S 0.00003 -0.00001 0.00003 -0.00213 0.03297 196 2S 0.00005 -0.00008 0.00012 -0.00137 0.01288 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 198 2S 0.00001 0.00002 0.00000 -0.00020 0.00539 199 2PX 0.00001 0.00003 0.00001 -0.00008 0.00134 200 2PY 0.00000 0.00003 0.00000 -0.00086 0.01753 201 2PZ 0.00002 0.00009 0.00002 -0.00053 0.01024 202 3S 0.00004 0.00013 0.00005 0.00024 0.00296 203 3PX 0.00001 0.00004 0.00003 -0.00002 0.00076 204 3PY -0.00006 0.00006 -0.00004 -0.00071 0.01147 205 3PZ 0.00001 0.00015 0.00008 -0.00049 0.00732 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00028 207 4YY 0.00000 0.00000 0.00000 -0.00005 0.00098 208 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 209 4XY 0.00000 0.00000 0.00000 -0.00002 0.00028 210 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00019 211 4YZ 0.00000 0.00000 0.00000 -0.00008 0.00144 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00009 213 2S 0.00000 -0.00001 0.00000 0.00013 -0.00182 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 215 2S 0.00000 -0.00002 -0.00001 0.00020 -0.00344 176 177 178 179 180 176 2PX 0.36493 177 2PY 0.00000 0.42724 178 2PZ 0.00000 0.00000 0.35262 179 3S 0.00000 0.00000 0.00000 0.34826 180 3PX 0.10894 0.00000 0.00000 0.00000 0.12345 181 3PY 0.00000 0.07727 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.09448 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 -0.00815 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00396 0.00000 185 4ZZ 0.00000 0.00000 0.00000 -0.00504 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00012 0.00001 190 2S 0.00002 0.00049 0.00000 0.00188 0.00017 191 18 H 1S 0.00000 0.00000 0.00000 0.00014 0.00016 192 2S 0.00028 0.00020 0.00010 0.00191 0.00198 193 19 H 1S -0.00035 0.00000 -0.00022 -0.00359 -0.00280 194 2S -0.00599 -0.00015 -0.00349 -0.01410 -0.01157 195 20 H 1S 0.00305 0.09119 0.00516 0.05175 0.00082 196 2S 0.00078 0.05326 0.00338 0.03044 -0.00109 197 21 C 1S -0.00011 -0.00077 -0.00046 -0.00006 -0.00003 198 2S 0.00244 0.01452 0.00889 0.00588 0.00106 199 2PX 0.00028 0.00328 0.00315 0.00168 0.00054 200 2PY 0.00568 0.02276 0.02640 0.01304 0.00336 201 2PZ 0.00412 0.02073 0.00377 0.01279 0.00172 202 3S 0.00143 0.01982 0.00991 -0.01243 -0.00060 203 3PX 0.00294 0.00168 0.00193 -0.00008 0.00318 204 3PY 0.00407 0.00400 0.01756 0.00258 0.00289 205 3PZ 0.00133 0.01122 -0.00216 0.00530 0.00031 206 4XX 0.00003 -0.00033 -0.00029 -0.00141 -0.00015 207 4YY 0.00037 -0.00063 0.00108 0.00220 0.00022 208 4ZZ -0.00006 0.00041 -0.00028 -0.00001 0.00002 209 4XY 0.00046 0.00031 0.00054 0.00012 0.00059 210 4XZ 0.00016 0.00037 -0.00002 0.00004 0.00009 211 4YZ 0.00048 0.00153 0.00006 0.00071 0.00020 212 22 H 1S -0.00012 -0.00010 -0.00019 -0.00227 -0.00092 213 2S -0.00308 -0.00138 -0.00190 -0.01044 -0.00477 214 23 H 1S 0.00004 -0.00016 -0.00005 -0.00237 0.00022 215 2S 0.00020 -0.00222 -0.00269 -0.00857 0.00026 181 182 183 184 185 181 3PY 0.05500 182 3PZ 0.00000 0.08841 183 4XX 0.00000 0.00000 0.00154 184 4YY 0.00000 0.00000 -0.00027 0.00174 185 4ZZ 0.00000 0.00000 0.00007 -0.00014 0.00111 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00015 0.00001 0.00000 0.00000 0.00000 190 2S 0.00224 0.00001 0.00000 -0.00003 0.00001 191 18 H 1S 0.00003 0.00006 0.00000 0.00000 0.00000 192 2S 0.00067 0.00051 0.00000 -0.00001 -0.00001 193 19 H 1S 0.00013 -0.00131 0.00002 0.00000 0.00002 194 2S 0.00026 -0.00395 0.00002 -0.00004 0.00027 195 20 H 1S 0.03928 0.00303 -0.00111 0.00585 -0.00102 196 2S 0.03043 0.00352 -0.00199 0.00496 -0.00177 197 21 C 1S -0.00087 -0.00018 0.00000 -0.00003 -0.00001 198 2S 0.01086 0.00390 -0.00033 0.00075 0.00020 199 2PX 0.00098 0.00120 0.00003 0.00026 0.00014 200 2PY 0.00227 0.01506 -0.00033 -0.00092 0.00052 201 2PZ 0.00916 -0.00138 -0.00039 0.00152 -0.00052 202 3S 0.01068 0.00366 -0.00030 0.00030 0.00053 203 3PX 0.00006 0.00122 -0.00016 0.00011 0.00012 204 3PY -0.00194 0.01319 -0.00044 -0.00073 0.00074 205 3PZ 0.00324 -0.00440 0.00019 0.00054 -0.00086 206 4XX -0.00062 -0.00026 0.00002 -0.00005 0.00001 207 4YY -0.00030 0.00082 -0.00004 0.00008 -0.00010 208 4ZZ 0.00039 -0.00046 -0.00001 -0.00004 0.00002 209 4XY 0.00003 0.00019 0.00000 -0.00002 -0.00002 210 4XZ 0.00005 0.00000 0.00000 0.00001 -0.00002 211 4YZ 0.00007 0.00001 -0.00003 -0.00009 0.00001 212 22 H 1S -0.00071 -0.00109 0.00003 -0.00001 0.00000 213 2S -0.00363 -0.00119 0.00052 -0.00026 -0.00007 214 23 H 1S -0.00101 -0.00139 0.00000 -0.00001 0.00009 215 2S -0.00372 -0.00529 0.00004 -0.00028 0.00068 186 187 188 189 190 186 4XY 0.00062 187 4XZ 0.00000 0.00068 188 4YZ 0.00000 0.00000 0.00095 189 17 H 1S 0.00000 0.00000 0.00000 0.21329 190 2S 0.00000 0.00000 0.00000 0.10023 0.13687 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00041 192 2S -0.00001 0.00000 -0.00001 -0.00043 -0.00263 193 19 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 194 2S 0.00003 0.00001 0.00003 0.00000 -0.00010 195 20 H 1S 0.00034 -0.00001 0.00097 0.00000 0.00000 196 2S 0.00007 -0.00001 0.00020 0.00000 -0.00012 197 21 C 1S -0.00002 -0.00001 -0.00008 0.00000 0.00009 198 2S 0.00030 0.00012 0.00138 -0.00008 -0.00149 199 2PX 0.00023 0.00027 0.00035 0.00000 -0.00004 200 2PY 0.00022 0.00014 0.00131 -0.00037 -0.00661 201 2PZ 0.00036 0.00002 0.00029 -0.00003 -0.00044 202 3S 0.00022 0.00004 0.00091 -0.00282 -0.00949 203 3PX 0.00023 0.00023 0.00009 -0.00007 -0.00016 204 3PY 0.00003 0.00001 0.00012 -0.00375 -0.01213 205 3PZ 0.00010 0.00001 -0.00006 -0.00069 -0.00226 206 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00004 207 4YY 0.00000 -0.00001 -0.00003 0.00005 0.00041 208 4ZZ -0.00001 0.00000 -0.00001 0.00000 -0.00009 209 4XY 0.00000 -0.00001 0.00002 0.00000 -0.00001 210 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 211 4YZ 0.00001 0.00001 0.00004 -0.00001 -0.00013 212 22 H 1S 0.00002 0.00003 0.00000 0.00000 -0.00012 213 2S 0.00001 0.00013 -0.00005 -0.00015 -0.00084 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 -0.00004 215 2S 0.00002 0.00004 0.00001 -0.00003 -0.00036 191 192 193 194 195 191 18 H 1S 0.21483 192 2S 0.10767 0.14590 193 19 H 1S 0.00000 -0.00039 0.21483 194 2S -0.00039 -0.00245 0.10767 0.14590 195 20 H 1S 0.00000 0.00000 0.00000 -0.00043 0.21329 196 2S 0.00000 -0.00010 -0.00041 -0.00263 0.10023 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00012 0.00000 0.00012 -0.00008 199 2PX 0.00000 0.00012 0.00000 0.00012 0.00000 200 2PY 0.00000 0.00014 0.00000 0.00014 -0.00037 201 2PZ 0.00000 0.00025 0.00000 0.00025 -0.00003 202 3S 0.00012 0.00181 0.00012 0.00181 -0.00282 203 3PX 0.00002 0.00054 0.00002 0.00054 -0.00007 204 3PY 0.00010 0.00122 0.00010 0.00122 -0.00375 205 3PZ 0.00016 0.00183 0.00016 0.00183 -0.00069 206 4XX 0.00000 -0.00001 0.00000 -0.00001 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 -0.00001 0.00000 -0.00001 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00011 0.00000 -0.00011 -0.00015 214 23 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 215 2S 0.00000 -0.00016 0.00000 -0.00016 -0.00003 196 197 198 199 200 196 2S 0.13687 197 21 C 1S 0.00009 2.05183 198 2S -0.00149 -0.01202 0.31004 199 2PX -0.00004 0.00000 0.00000 0.41673 200 2PY -0.00661 0.00000 0.00000 0.00000 0.37652 201 2PZ -0.00044 0.00000 0.00000 0.00000 0.00000 202 3S -0.00949 -0.03490 0.23516 0.00000 0.00000 203 3PX -0.00016 0.00000 0.00000 0.11090 0.00000 204 3PY -0.01213 0.00000 0.00000 0.00000 0.09914 205 3PZ -0.00226 0.00000 0.00000 0.00000 0.00000 206 4XX -0.00004 -0.00147 0.00060 0.00000 0.00000 207 4YY 0.00041 -0.00111 -0.00570 0.00000 0.00000 208 4ZZ -0.00009 -0.00136 -0.00131 0.00000 0.00000 209 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ -0.00013 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00012 -0.00185 0.02936 0.08854 0.00000 213 2S -0.00084 -0.00055 0.00917 0.05005 0.00000 214 23 H 1S -0.00004 -0.00160 0.02632 0.03531 0.00000 215 2S -0.00036 -0.00027 0.00590 0.02091 0.00000 201 202 203 204 205 201 2PZ 0.39894 202 3S 0.00000 0.31537 203 3PX 0.00000 0.00000 0.09623 204 3PY 0.00000 0.00000 0.00000 0.08615 205 3PZ 0.09779 0.00000 0.00000 0.00000 0.09298 206 4XX 0.00000 0.00184 0.00000 0.00000 0.00000 207 4YY 0.00000 -0.00501 0.00000 0.00000 0.00000 208 4ZZ 0.00000 -0.00068 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.01063 0.03944 0.05598 0.00000 0.00591 213 2S 0.00616 0.01396 0.04493 0.00000 0.00289 214 23 H 1S 0.05960 0.03438 0.02397 0.00000 0.03885 215 2S 0.03725 0.00677 0.02178 0.00000 0.03383 206 207 208 209 210 206 4XX 0.00136 207 4YY -0.00022 0.00136 208 4ZZ -0.00001 -0.00005 0.00077 209 4XY 0.00000 0.00000 0.00000 0.00076 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00164 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00546 -0.00104 -0.00075 0.00000 0.00172 213 2S 0.00473 -0.00209 -0.00158 0.00000 0.00039 214 23 H 1S 0.00046 -0.00089 0.00218 0.00000 0.00404 215 2S 0.00040 -0.00194 0.00254 0.00000 0.00090 211 212 213 214 215 211 4YZ 0.00111 212 22 H 1S 0.00000 0.21329 213 2S 0.00000 0.10061 0.13978 214 23 H 1S 0.00000 -0.00044 -0.00636 0.20917 215 2S 0.00000 -0.00632 -0.01599 0.10234 0.13898 Gross orbital populations: 1 1 1 C 1S 1.99202 2 2S 0.71540 3 2PX 0.66494 4 2PY 0.78494 5 2PZ 0.60995 6 3S 0.57185 7 3PX 0.29891 8 3PY 0.17655 9 3PZ 0.34600 10 4XX -0.00554 11 4YY 0.00401 12 4ZZ -0.01446 13 4XY 0.01135 14 4XZ 0.00470 15 4YZ 0.00880 16 2 H 1S 0.52716 17 2S 0.31105 18 3 C 1S 1.99202 19 2S 0.71540 20 2PX 0.66494 21 2PY 0.78493 22 2PZ 0.60995 23 3S 0.57185 24 3PX 0.29891 25 3PY 0.17655 26 3PZ 0.34600 27 4XX -0.00554 28 4YY 0.00401 29 4ZZ -0.01446 30 4XY 0.01135 31 4XZ 0.00470 32 4YZ 0.00880 33 4 H 1S 0.52716 34 2S 0.31105 35 5 C 1S 1.99233 36 2S 0.72860 37 2PX 0.66085 38 2PY 0.73743 39 2PZ 0.57480 40 3S 0.38514 41 3PX 0.15524 42 3PY 0.02520 43 3PZ 0.23247 44 4XX -0.01075 45 4YY 0.01156 46 4ZZ -0.01910 47 4XY 0.03260 48 4XZ 0.00524 49 4YZ 0.02440 50 6 C 1S 1.99267 51 2S 0.69751 52 2PX 0.63961 53 2PY 0.75035 54 2PZ 0.66106 55 3S 0.61614 56 3PX 0.31609 57 3PY 0.19006 58 3PZ 0.35146 59 4XX -0.01128 60 4YY 0.00194 61 4ZZ -0.00625 62 4XY 0.00870 63 4XZ 0.00525 64 4YZ 0.00960 65 7 H 1S 0.52858 66 2S 0.30807 67 8 C 1S 1.99267 68 2S 0.69751 69 2PX 0.63961 70 2PY 0.75035 71 2PZ 0.66105 72 3S 0.61614 73 3PX 0.31609 74 3PY 0.19006 75 3PZ 0.35146 76 4XX -0.01128 77 4YY 0.00194 78 4ZZ -0.00625 79 4XY 0.00870 80 4XZ 0.00525 81 4YZ 0.00960 82 9 H 1S 0.52858 83 2S 0.30807 84 10 C 1S 1.99233 85 2S 0.72860 86 2PX 0.66085 87 2PY 0.73744 88 2PZ 0.57481 89 3S 0.38514 90 3PX 0.15524 91 3PY 0.02519 92 3PZ 0.23247 93 4XX -0.01075 94 4YY 0.01156 95 4ZZ -0.01910 96 4XY 0.03260 97 4XZ 0.00524 98 4YZ 0.02440 99 11 O 1S 1.99244 100 2S 0.90618 101 2PX 1.03001 102 2PY 0.91902 103 2PZ 0.90991 104 3S 1.06530 105 3PX 0.64636 106 3PY 0.44311 107 3PZ 0.58711 108 4XX -0.01416 109 4YY -0.00029 110 4ZZ -0.01180 111 4XY 0.00789 112 4XZ 0.00024 113 4YZ 0.00904 114 12 O 1S 1.99244 115 2S 0.90618 116 2PX 1.03001 117 2PY 0.91902 118 2PZ 0.90991 119 3S 1.06530 120 3PX 0.64636 121 3PY 0.44311 122 3PZ 0.58712 123 4XX -0.01416 124 4YY -0.00029 125 4ZZ -0.01180 126 4XY 0.00789 127 4XZ 0.00024 128 4YZ 0.00904 129 13 C 1S 1.99268 130 2S 0.71016 131 2PX 0.63477 132 2PY 0.74987 133 2PZ 0.62105 134 3S 0.61801 135 3PX 0.30488 136 3PY 0.23010 137 3PZ 0.27443 138 4XX -0.01240 139 4YY 0.01450 140 4ZZ -0.01225 141 4XY 0.00565 142 4XZ 0.00618 143 4YZ 0.00832 144 14 C 1S 1.99202 145 2S 0.71244 146 2PX 0.66171 147 2PY 0.75218 148 2PZ 0.65503 149 3S 0.51497 150 3PX 0.26482 151 3PY 0.20136 152 3PZ 0.32593 153 4XX -0.00670 154 4YY 0.00277 155 4ZZ -0.01066 156 4XY 0.00965 157 4XZ 0.00627 158 4YZ 0.00894 159 15 C 1S 1.99202 160 2S 0.71244 161 2PX 0.66171 162 2PY 0.75218 163 2PZ 0.65503 164 3S 0.51497 165 3PX 0.26482 166 3PY 0.20136 167 3PZ 0.32593 168 4XX -0.00670 169 4YY 0.00277 170 4ZZ -0.01066 171 4XY 0.00965 172 4XZ 0.00627 173 4YZ 0.00894 174 16 C 1S 1.99268 175 2S 0.71016 176 2PX 0.63477 177 2PY 0.74987 178 2PZ 0.62105 179 3S 0.61800 180 3PX 0.30488 181 3PY 0.23010 182 3PZ 0.27443 183 4XX -0.01240 184 4YY 0.01450 185 4ZZ -0.01225 186 4XY 0.00565 187 4XZ 0.00618 188 4YZ 0.00832 189 17 H 1S 0.52646 190 2S 0.30580 191 18 H 1S 0.52923 192 2S 0.32574 193 19 H 1S 0.52923 194 2S 0.32574 195 20 H 1S 0.52646 196 2S 0.30579 197 21 C 1S 1.99220 198 2S 0.68619 199 2PX 0.73581 200 2PY 0.67645 201 2PZ 0.71075 202 3S 0.59784 203 3PX 0.35505 204 3PY 0.25504 205 3PZ 0.27521 206 4XX 0.00817 207 4YY -0.00785 208 4ZZ 0.00045 209 4XY 0.00609 210 4XZ 0.01175 211 4YZ 0.01008 212 22 H 1S 0.52766 213 2S 0.30732 214 23 H 1S 0.51601 215 2S 0.30094 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.250429 0.342214 0.415612 -0.034470 -0.015875 -0.001136 2 H 0.342214 0.557602 -0.034470 -0.006676 0.003337 -0.000714 3 C 0.415612 -0.034470 5.250429 0.342214 0.372384 -0.109487 4 H -0.034470 -0.006676 0.342214 0.557602 -0.031637 0.006805 5 C -0.015875 0.003337 0.372384 -0.031637 4.407490 0.350936 6 C -0.001136 -0.000714 -0.109487 0.006805 0.350936 5.421753 7 H -0.000556 0.000016 0.006352 -0.000153 -0.031534 0.351080 8 C -0.109487 0.006805 -0.001136 -0.000714 -0.006523 0.303542 9 H 0.006352 -0.000153 -0.000556 0.000016 0.002515 -0.030754 10 C 0.372384 -0.031637 -0.015876 0.003337 -0.018526 -0.006522 11 O 0.005980 -0.000069 -0.066247 0.001936 0.509307 -0.073559 12 O -0.066248 0.001936 0.005980 -0.000069 -0.000067 0.005181 13 C -0.000596 0.000003 -0.000192 -0.000003 -0.002308 0.100203 14 C -0.000022 0.000001 0.000027 0.000000 0.000364 -0.007264 15 C 0.000027 0.000000 -0.000022 0.000001 0.000426 -0.024389 16 C -0.000193 -0.000003 -0.000596 0.000003 0.000200 -0.031489 17 H -0.000072 0.000001 0.000270 -0.000011 0.000712 -0.018323 18 H 0.000000 0.000000 0.000002 0.000000 -0.000049 -0.000247 19 H 0.000002 0.000000 0.000000 0.000000 0.000006 -0.000167 20 H 0.000270 -0.000011 -0.000072 0.000001 0.000022 0.001405 21 C -0.003433 0.000007 -0.003433 0.000007 -0.005193 -0.012468 22 H 0.008236 0.000023 0.008237 0.000023 -0.000044 -0.004804 23 H -0.000002 -0.000001 -0.000002 -0.000001 0.000066 0.003331 7 8 9 10 11 12 1 C -0.000556 -0.109487 0.006352 0.372384 0.005980 -0.066248 2 H 0.000016 0.006805 -0.000153 -0.031637 -0.000069 0.001936 3 C 0.006352 -0.001136 -0.000556 -0.015876 -0.066247 0.005980 4 H -0.000153 -0.000714 0.000016 0.003337 0.001936 -0.000069 5 C -0.031534 -0.006523 0.002515 -0.018526 0.509307 -0.000067 6 C 0.351080 0.303542 -0.030754 -0.006522 -0.073559 0.005181 7 H 0.553881 -0.030754 -0.006311 0.002515 0.001894 -0.000054 8 C -0.030754 5.421756 0.351080 0.350937 0.005181 -0.073560 9 H -0.006311 0.351080 0.553881 -0.031534 -0.000054 0.001894 10 C 0.002515 0.350937 -0.031534 4.407489 -0.000067 0.509307 11 O 0.001894 0.005181 -0.000054 -0.000067 8.105479 0.000000 12 O -0.000054 -0.073560 0.001894 0.509307 0.000000 8.105483 13 C -0.010125 -0.031488 0.000950 0.000200 -0.004464 0.000015 14 C -0.003049 -0.024389 -0.000266 0.000426 0.000081 -0.000001 15 C -0.000266 -0.007264 -0.003049 0.000363 -0.000001 0.000081 16 C 0.000950 0.100202 -0.010125 -0.002308 0.000015 -0.004465 17 H 0.000400 0.001405 -0.000059 0.000022 0.005247 0.000000 18 H 0.001006 -0.000167 -0.000030 0.000006 0.000001 0.000000 19 H -0.000030 -0.000247 0.001006 -0.000049 0.000000 0.000001 20 H -0.000059 -0.018324 0.000400 0.000712 0.000000 0.005248 21 C 0.001301 -0.012469 0.001301 -0.005192 -0.000165 -0.000165 22 H 0.000173 -0.004804 0.000173 -0.000044 -0.000123 -0.000123 23 H -0.000033 0.003331 -0.000033 0.000066 -0.000012 -0.000012 13 14 15 16 17 18 1 C -0.000596 -0.000022 0.000027 -0.000193 -0.000072 0.000000 2 H 0.000003 0.000001 0.000000 -0.000003 0.000001 0.000000 3 C -0.000192 0.000027 -0.000022 -0.000596 0.000270 0.000002 4 H -0.000003 0.000000 0.000001 0.000003 -0.000011 0.000000 5 C -0.002308 0.000364 0.000426 0.000200 0.000712 -0.000049 6 C 0.100203 -0.007264 -0.024389 -0.031489 -0.018323 -0.000247 7 H -0.010125 -0.003049 -0.000266 0.000950 0.000400 0.001006 8 C -0.031488 -0.024389 -0.007264 0.100202 0.001405 -0.000167 9 H 0.000950 -0.000266 -0.003049 -0.010125 -0.000059 -0.000030 10 C 0.000200 0.000426 0.000363 -0.002308 0.000022 0.000006 11 O -0.004464 0.000081 -0.000001 0.000015 0.005247 0.000001 12 O 0.000015 -0.000001 0.000081 -0.004465 0.000000 0.000000 13 C 5.067118 0.520122 -0.050010 -0.073435 0.363843 -0.049467 14 C 0.520122 4.897216 0.533642 -0.050010 -0.038371 0.369829 15 C -0.050010 0.533642 4.897214 0.520123 0.006748 -0.047481 16 C -0.073435 -0.050010 0.520123 5.067121 0.005234 0.006183 17 H 0.363843 -0.038371 0.006748 0.005234 0.550631 -0.003472 18 H -0.049467 0.369829 -0.047481 0.006183 -0.003472 0.576060 19 H 0.006183 -0.047481 0.369829 -0.049467 -0.000106 -0.003230 20 H 0.005234 0.006748 -0.038370 0.363842 -0.000127 -0.000106 21 C 0.366938 -0.070151 -0.070151 0.366939 -0.040171 0.006413 22 H -0.033227 0.005172 0.005172 -0.033227 -0.001116 -0.000116 23 H -0.029553 -0.001910 -0.001910 -0.029553 -0.000433 -0.000173 19 20 21 22 23 1 C 0.000002 0.000270 -0.003433 0.008236 -0.000002 2 H 0.000000 -0.000011 0.000007 0.000023 -0.000001 3 C 0.000000 -0.000072 -0.003433 0.008237 -0.000002 4 H 0.000000 0.000001 0.000007 0.000023 -0.000001 5 C 0.000006 0.000022 -0.005193 -0.000044 0.000066 6 C -0.000167 0.001405 -0.012468 -0.004804 0.003331 7 H -0.000030 -0.000059 0.001301 0.000173 -0.000033 8 C -0.000247 -0.018324 -0.012469 -0.004804 0.003331 9 H 0.001006 0.000400 0.001301 0.000173 -0.000033 10 C -0.000049 0.000712 -0.005192 -0.000044 0.000066 11 O 0.000000 0.000000 -0.000165 -0.000123 -0.000012 12 O 0.000001 0.005248 -0.000165 -0.000123 -0.000012 13 C 0.006183 0.005234 0.366938 -0.033227 -0.029553 14 C -0.047481 0.006748 -0.070151 0.005172 -0.001910 15 C 0.369829 -0.038370 -0.070151 0.005172 -0.001910 16 C -0.049467 0.363842 0.366939 -0.033227 -0.029553 17 H -0.000106 -0.000127 -0.040171 -0.001116 -0.000433 18 H -0.003230 -0.000106 0.006413 -0.000116 -0.000173 19 H 0.576060 -0.003472 0.006413 -0.000116 -0.000173 20 H -0.003472 0.550630 -0.040171 -0.001116 -0.000433 21 C 0.006413 -0.040171 5.114963 0.361443 0.350665 22 H -0.000116 -0.001116 0.361443 0.554289 -0.029100 23 H -0.000173 -0.000433 0.350665 -0.029100 0.552825 Mulliken charges: 1 1 C -0.169415 2 H 0.161790 3 C -0.169415 4 H 0.161790 5 C 0.463989 6 C -0.222914 7 H 0.163354 8 C -0.222914 9 H 0.163355 10 C 0.463990 11 O -0.490360 12 O -0.490362 13 C -0.145940 14 C -0.090713 15 C -0.090713 16 C -0.145941 17 H 0.167747 18 H 0.145039 19 H 0.145039 20 H 0.167749 21 C -0.313228 22 H 0.165019 23 H 0.183052 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.007625 3 C -0.007625 5 C 0.463989 6 C -0.059559 8 C -0.059559 10 C 0.463990 11 O -0.490360 12 O -0.490362 13 C 0.021807 14 C 0.054326 15 C 0.054326 16 C 0.021808 21 C 0.034843 APT charges: 1 1 C -0.520024 2 H 0.658902 3 C -0.520023 4 H 0.658903 5 C -0.432531 6 C -0.523574 7 H 0.493816 8 C -0.523564 9 H 0.493813 10 C -0.432528 11 O 0.253169 12 O 0.253163 13 C -0.648273 14 C -0.404706 15 C -0.404709 16 C -0.648259 17 H 0.473756 18 H 0.652957 19 H 0.652955 20 H 0.473745 21 C -0.848772 22 H 0.253510 23 H 0.588273 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.138877 3 C 0.138880 5 C -0.432531 6 C -0.029758 8 C -0.029751 10 C -0.432528 11 O 0.253169 12 O 0.253163 13 C -0.174517 14 C 0.248251 15 C 0.248246 16 C -0.174514 21 C -0.006989 Electronic spatial extent (au): = 1993.8838 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= -0.0003 XZ= -4.5498 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 7.7159 YY= -14.0138 ZZ= 6.2979 XY= -0.0003 XZ= -4.5498 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -11.2792 YYY= -0.0008 ZZZ= -1.8591 XYY= 30.8285 XXY= 0.0008 XXZ= 0.1910 XZZ= -0.3448 YZZ= 0.0000 YYZ= 8.5111 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1303.3022 YYYY= -1092.3227 ZZZZ= -303.9683 XXXY= -0.0010 XXXZ= -54.6643 YYYX= -0.0016 YYYZ= 0.0003 ZZZX= 2.3987 ZZZY= 0.0000 XXYY= -393.5396 XXZZ= -261.9374 YYZZ= -198.7467 XXYZ= -0.0001 YYXZ= -16.8238 ZZXY= 0.0001 N-N= 7.675011339421D+02 E-N=-2.873719090036D+03 KE= 5.702133606315D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.137345 29.025504 2 O -19.137344 29.027140 3 O -10.278265 15.887670 4 O -10.278257 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 -0.887254 1.405112 17 O -0.835756 1.605848 18 O -0.768650 1.597242 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 1.453497 24 O -0.574088 1.441324 25 O -0.548062 1.327110 26 O -0.535743 0.979489 27 O -0.491684 1.478209 28 O -0.486295 1.487522 29 O -0.473971 1.137954 30 O -0.469225 1.615786 31 O -0.441793 1.216129 32 O -0.419130 2.109736 33 O -0.409269 1.376845 34 O -0.405320 1.371243 35 O -0.399475 1.748686 36 O -0.394841 1.477328 37 O -0.389560 1.497305 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 1.551054 43 O -0.255985 1.740926 44 O -0.255768 2.381586 45 O -0.250084 1.350998 46 O -0.243504 1.815117 47 V -0.099900 1.794267 48 V -0.036825 1.469414 49 V -0.012992 1.442204 50 V 0.035312 1.907629 51 V 0.067509 1.580798 52 V 0.095224 0.963379 53 V 0.104858 0.998418 54 V 0.128234 1.011414 55 V 0.132381 1.017285 56 V 0.135365 1.663266 57 V 0.151712 1.115875 58 V 0.155902 1.254863 59 V 0.159622 1.248927 60 V 0.170055 1.057810 61 V 0.170791 1.246493 62 V 0.187440 1.899206 63 V 0.192155 1.432264 64 V 0.210974 1.414037 65 V 0.220119 1.581656 66 V 0.253512 1.672585 67 V 0.282480 1.408785 68 V 0.294611 1.808574 69 V 0.299804 1.832737 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 2.345149 75 V 0.466964 1.680414 76 V 0.479566 2.194587 77 V 0.496064 1.896233 78 V 0.519998 2.107555 79 V 0.521273 1.893574 80 V 0.530364 2.093337 81 V 0.536410 1.931699 82 V 0.554660 1.975947 83 V 0.572752 2.173959 84 V 0.578291 2.558644 85 V 0.586704 1.997824 86 V 0.592852 2.126488 87 V 0.610794 2.307587 88 V 0.624698 2.211971 89 V 0.638988 2.296342 90 V 0.652152 2.831856 91 V 0.654998 2.967036 92 V 0.676413 2.511237 93 V 0.679426 2.622621 94 V 0.685104 2.516796 95 V 0.721880 2.428404 96 V 0.739583 2.365781 97 V 0.739805 2.382248 98 V 0.788664 2.931850 99 V 0.797019 2.483853 100 V 0.803452 2.448091 101 V 0.819800 2.613921 102 V 0.824803 2.454389 103 V 0.824893 2.588447 104 V 0.827160 2.776488 105 V 0.834292 2.882079 106 V 0.847996 2.727525 107 V 0.861103 2.534067 108 V 0.881856 2.561891 109 V 0.883978 2.591277 110 V 0.893402 2.607375 111 V 0.910016 2.481052 112 V 0.913870 2.471912 113 V 0.931836 2.568392 114 V 0.948438 2.494635 115 V 0.985706 2.570631 116 V 1.014999 2.353351 117 V 1.025558 2.601100 118 V 1.037874 2.574170 119 V 1.046491 3.228516 120 V 1.058930 2.915255 121 V 1.061358 2.931929 122 V 1.094915 2.505429 123 V 1.115920 3.077570 124 V 1.149297 2.333212 125 V 1.169238 2.297671 126 V 1.209425 2.314052 127 V 1.222010 2.498696 128 V 1.224161 2.391054 129 V 1.230767 2.510115 130 V 1.272853 2.492526 131 V 1.321124 2.705211 132 V 1.325618 2.501642 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 1.461067 2.680103 139 V 1.470676 2.795426 140 V 1.514186 2.726476 141 V 1.522607 2.696345 142 V 1.583820 2.880015 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 1.772055 3.004924 149 V 1.797978 3.077026 150 V 1.827337 3.074139 151 V 1.838564 3.120993 152 V 1.846053 3.179142 153 V 1.876098 3.222093 154 V 1.891397 3.158269 155 V 1.895696 3.456136 156 V 1.897912 3.347351 157 V 1.909431 3.058984 158 V 1.931265 3.222814 159 V 1.956973 3.344069 160 V 1.983255 3.381734 161 V 1.989647 3.805479 162 V 2.033495 3.419553 163 V 2.050742 3.426204 164 V 2.060644 3.638090 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 2.179978 3.670627 171 V 2.188491 3.548196 172 V 2.227190 3.576413 173 V 2.256159 3.601216 174 V 2.256532 3.608643 175 V 2.283200 3.583849 176 V 2.306525 3.768114 177 V 2.324345 3.768608 178 V 2.375468 3.723742 179 V 2.375885 3.778664 180 V 2.403827 3.753237 181 V 2.451565 4.029626 182 V 2.452850 3.831921 183 V 2.524109 4.157464 184 V 2.573125 4.037962 185 V 2.583270 3.993924 186 V 2.593823 3.881858 187 V 2.614058 4.262416 188 V 2.623760 4.571970 189 V 2.638395 4.092556 190 V 2.661810 4.436316 191 V 2.664524 4.202748 192 V 2.690046 4.196216 193 V 2.712906 4.525686 194 V 2.763475 4.506656 195 V 2.843908 4.551296 196 V 2.920971 4.773254 197 V 2.950860 4.473545 198 V 2.964448 4.606645 199 V 2.975268 5.025650 200 V 3.023893 5.012881 201 V 3.183233 4.869203 202 V 3.251689 5.165137 203 V 4.030951 10.142397 204 V 4.037752 10.534650 205 V 4.103158 10.245478 206 V 4.167930 10.228655 207 V 4.220673 10.334479 208 V 4.318736 10.335121 209 V 4.359324 10.541668 210 V 4.363583 10.876740 211 V 4.461126 10.564076 212 V 4.520920 10.462157 213 V 4.637474 10.767427 214 V 4.641689 11.162905 215 V 4.909973 11.636572 Total kinetic energy from orbitals= 5.702133606315D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 235.932 0.001 305.295 -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 0.000000354 0.000000287 -0.000000348 2 1 0.000000159 0.000000770 0.000000198 3 6 0.000000109 -0.000000197 -0.000000426 4 1 0.000000202 -0.000000878 0.000000198 5 6 0.000000085 0.000001406 -0.000000210 6 6 -0.000008555 0.000008802 0.000002505 7 1 -0.000003235 -0.000000294 0.000002043 8 6 -0.000010932 -0.000008622 0.000003147 9 1 -0.000002560 0.000000139 0.000001171 10 6 0.000001753 -0.000001109 -0.000000547 11 8 0.000001344 -0.000001818 0.000001404 12 8 0.000001211 0.000001673 0.000001511 13 6 0.000005375 -0.000004078 0.000001102 14 6 0.000011109 -0.000007381 -0.000004433 15 6 0.000009797 0.000007848 -0.000004033 16 6 0.000006654 0.000003003 0.000001184 17 1 -0.000002821 0.000000065 -0.000002158 18 1 -0.000000528 0.000000118 -0.000001391 19 1 -0.000000511 -0.000000088 -0.000001422 20 1 -0.000003664 -0.000000077 -0.000001902 21 6 -0.000004142 0.000000491 0.000002147 22 1 -0.000000905 -0.000000075 0.000001305 23 1 -0.000000301 0.000000016 -0.000001045 ------------------------------------------------------------------- Cartesian Forces: Max 0.000011109 RMS 0.000003688 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000010855 RMS 0.000002838 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 0.35539 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: R10 R13 D23 D19 D80 1 0.57796 0.57794 0.14331 -0.14330 0.14234 D61 D16 D40 R9 D63 1 -0.14234 -0.11120 0.11120 -0.10951 -0.10492 RFO step: Lambda0=5.450154751D-09 Lambda=-1.43861722D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009765 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 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R2 2.53957 0.00000 0.00000 0.00000 0.00000 2.53957 R3 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R4 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R5 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R6 2.80126 0.00000 0.00000 0.00000 0.00000 2.80125 R7 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R8 2.04818 0.00000 0.00000 -0.00001 -0.00001 2.04818 R9 2.66703 0.00001 0.00000 -0.00002 -0.00002 2.66701 R10 4.20678 -0.00001 0.00000 0.00018 0.00018 4.20696 R11 2.04818 0.00000 0.00000 0.00000 0.00000 2.04818 R12 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R13 4.20678 -0.00001 0.00000 0.00018 0.00018 4.20696 R14 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R15 2.65688 -0.00001 0.00000 -0.00004 -0.00004 2.65684 R16 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R17 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R18 2.64421 -0.00001 0.00000 0.00000 0.00000 2.64421 R19 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R20 2.65688 0.00000 0.00000 -0.00004 -0.00004 2.65684 R21 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R22 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R23 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R24 2.05907 0.00000 0.00000 0.00001 0.00001 2.05908 R25 2.08355 0.00000 0.00000 0.00000 0.00000 2.08355 A1 2.13800 0.00000 0.00000 0.00000 0.00000 2.13800 A2 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A3 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A4 2.13801 0.00000 0.00000 -0.00001 -0.00001 2.13800 A5 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A6 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A7 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A8 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 A9 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A10 1.98025 0.00000 0.00000 0.00003 0.00003 1.98028 A11 2.10446 0.00000 0.00000 0.00001 0.00001 2.10447 A12 1.72686 0.00000 0.00000 0.00001 0.00001 1.72687 A13 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A14 1.62991 0.00000 0.00000 -0.00013 -0.00013 1.62979 A15 1.77419 0.00000 0.00000 0.00000 0.00000 1.77418 A16 2.09600 0.00000 0.00000 0.00002 0.00002 2.09602 A17 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A18 1.77419 0.00000 0.00000 0.00000 0.00000 1.77418 A19 1.98025 0.00000 0.00000 0.00002 0.00002 1.98028 A20 1.62990 0.00000 0.00000 -0.00011 -0.00011 1.62979 A21 1.72684 0.00000 0.00000 0.00003 0.00003 1.72687 A22 2.04589 0.00000 0.00000 0.00000 0.00000 2.04589 A23 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 A24 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A25 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A26 1.78852 0.00000 0.00000 0.00001 0.00001 1.78852 A27 1.59616 0.00001 0.00000 0.00003 0.00003 1.59618 A28 2.17518 0.00000 0.00000 -0.00001 -0.00001 2.17517 A29 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A30 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A31 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A32 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A33 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A34 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A35 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A36 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A37 1.70839 -0.00001 0.00000 -0.00016 -0.00016 1.70822 A38 1.78850 0.00000 0.00000 0.00003 0.00003 1.78852 A39 1.59616 0.00001 0.00000 0.00002 0.00002 1.59618 A40 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A41 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A42 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A43 1.74405 0.00000 0.00000 0.00002 0.00002 1.74407 A44 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A45 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A46 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A47 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A48 1.87693 0.00000 0.00000 -0.00001 -0.00001 1.87692 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 3.10794 0.00000 0.00000 -0.00001 -0.00001 3.10793 D3 -3.10794 0.00000 0.00000 0.00000 0.00000 -3.10793 D4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D5 3.06304 0.00000 0.00000 0.00003 0.00003 3.06307 D6 -0.09519 0.00000 0.00000 0.00003 0.00003 -0.09516 D7 -0.11002 0.00000 0.00000 0.00003 0.00003 -0.10999 D8 3.01493 0.00000 0.00000 0.00002 0.00002 3.01496 D9 0.11002 0.00000 0.00000 -0.00003 -0.00003 0.10999 D10 -3.01494 0.00000 0.00000 -0.00002 -0.00002 -3.01496 D11 -3.06303 0.00000 0.00000 -0.00004 -0.00004 -3.06307 D12 0.09519 0.00000 0.00000 -0.00003 -0.00003 0.09516 D13 -2.77941 0.00000 0.00000 -0.00009 -0.00009 -2.77949 D14 -0.10850 0.00000 0.00000 0.00004 0.00004 -0.10846 D15 1.79910 0.00000 0.00000 0.00004 0.00004 1.79914 D16 0.34512 0.00000 0.00000 -0.00010 -0.00010 0.34502 D17 3.01603 0.00000 0.00000 0.00003 0.00003 3.01606 D18 -1.35956 0.00000 0.00000 0.00003 0.00003 -1.35952 D19 -2.64004 0.00000 0.00000 -0.00012 -0.00012 -2.64015 D20 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D21 1.88198 0.00000 0.00000 0.00002 0.00002 1.88200 D22 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D23 2.64003 0.00000 0.00000 0.00013 0.00013 2.64015 D24 -1.76119 0.00000 0.00000 0.00015 0.00015 -1.76103 D25 1.76116 0.00000 0.00000 -0.00013 -0.00013 1.76103 D26 -1.88198 0.00000 0.00000 -0.00002 -0.00002 -1.88200 D27 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D28 2.92045 0.00000 0.00000 -0.00006 -0.00006 2.92039 D29 0.68323 0.00000 0.00000 0.00001 0.00001 0.68324 D30 -1.49856 0.00000 0.00000 -0.00003 -0.00003 -1.49860 D31 0.92388 0.00000 0.00000 -0.00006 -0.00006 0.92382 D32 -1.31334 0.00000 0.00000 0.00001 0.00001 -1.31333 D33 2.78805 0.00000 0.00000 -0.00004 -0.00004 2.78802 D34 -1.19967 0.00000 0.00000 -0.00005 -0.00005 -1.19972 D35 2.84629 0.00000 0.00000 0.00002 0.00002 2.84631 D36 0.66450 0.00000 0.00000 -0.00002 -0.00002 0.66447 D37 0.10848 0.00000 0.00000 -0.00002 -0.00002 0.10846 D38 -3.01605 0.00000 0.00000 -0.00002 -0.00002 -3.01606 D39 2.77942 0.00000 0.00000 0.00007 0.00007 2.77949 D40 -0.34511 0.00000 0.00000 0.00008 0.00008 -0.34502 D41 -1.79911 0.00000 0.00000 -0.00004 -0.00004 -1.79914 D42 1.35955 0.00000 0.00000 -0.00003 -0.00003 1.35952 D43 1.19969 0.00000 0.00000 0.00003 0.00003 1.19972 D44 -2.84627 0.00000 0.00000 -0.00004 -0.00004 -2.84631 D45 -0.66448 0.00000 0.00000 0.00001 0.00001 -0.66447 D46 -0.92387 0.00000 0.00000 0.00004 0.00004 -0.92382 D47 1.31336 0.00000 0.00000 -0.00003 -0.00003 1.31333 D48 -2.78804 0.00000 0.00000 0.00002 0.00002 -2.78802 D49 -2.92043 0.00000 0.00000 0.00004 0.00004 -2.92039 D50 -0.68321 0.00000 0.00000 -0.00003 -0.00003 -0.68324 D51 1.49858 0.00000 0.00000 0.00002 0.00002 1.49860 D52 1.30467 0.00001 0.00000 0.00007 0.00007 1.30474 D53 -1.70419 0.00000 0.00000 0.00006 0.00006 -1.70414 D54 -3.03877 0.00000 0.00000 -0.00005 -0.00005 -3.03882 D55 0.23556 0.00000 0.00000 -0.00007 -0.00007 0.23549 D56 -0.33371 0.00000 0.00000 0.00009 0.00009 -0.33362 D57 2.94061 0.00000 0.00000 0.00008 0.00008 2.94069 D58 -1.21931 0.00001 0.00000 0.00003 0.00003 -1.21928 D59 0.98308 0.00001 0.00000 0.00005 0.00005 0.98313 D60 3.09522 0.00001 0.00000 0.00004 0.00004 3.09525 D61 0.50260 0.00000 0.00000 -0.00014 -0.00014 0.50246 D62 2.70499 0.00000 0.00000 -0.00012 -0.00012 2.70487 D63 -1.46606 0.00000 0.00000 -0.00013 -0.00013 -1.46620 D64 -3.07030 0.00000 0.00000 -0.00001 -0.00001 -3.07031 D65 -0.86791 0.00000 0.00000 0.00001 0.00001 -0.86789 D66 1.24423 0.00000 0.00000 0.00000 0.00000 1.24423 D67 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D68 -3.00839 0.00000 0.00000 -0.00002 -0.00002 -3.00840 D69 3.00839 0.00000 0.00000 0.00001 0.00001 3.00840 D70 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D71 -1.30468 0.00000 0.00000 -0.00006 -0.00006 -1.30474 D72 3.03878 0.00000 0.00000 0.00004 0.00004 3.03882 D73 0.33370 0.00000 0.00000 -0.00009 -0.00009 0.33362 D74 1.70419 0.00000 0.00000 -0.00005 -0.00005 1.70414 D75 -0.23554 0.00000 0.00000 0.00005 0.00005 -0.23549 D76 -2.94062 0.00000 0.00000 -0.00007 -0.00007 -2.94069 D77 1.21931 -0.00001 0.00000 -0.00003 -0.00003 1.21928 D78 -0.98309 -0.00001 0.00000 -0.00005 -0.00005 -0.98313 D79 -3.09522 -0.00001 0.00000 -0.00003 -0.00003 -3.09525 D80 -0.50259 0.00000 0.00000 0.00014 0.00014 -0.50246 D81 -2.70498 0.00000 0.00000 0.00012 0.00012 -2.70487 D82 1.46606 0.00000 0.00000 0.00013 0.00013 1.46620 D83 3.07028 0.00000 0.00000 0.00003 0.00003 3.07031 D84 0.86789 0.00000 0.00000 0.00001 0.00001 0.86789 D85 -1.24425 0.00000 0.00000 0.00002 0.00002 -1.24423 Item Value Threshold Converged? Maximum Force 0.000011 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000376 0.001800 YES RMS Displacement 0.000098 0.001200 YES Predicted change in Energy=-4.468008D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0872 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3439 -DE/DX = 0.0 ! ! R3 R(1,10) 1.4909 -DE/DX = 0.0 ! ! R4 R(3,4) 1.0872 -DE/DX = 0.0 ! ! R5 R(3,5) 1.4909 -DE/DX = 0.0 ! ! R6 R(5,6) 1.4824 -DE/DX = 0.0 ! ! R7 R(5,11) 1.2279 -DE/DX = 0.0 ! ! R8 R(6,7) 1.0839 -DE/DX = 0.0 ! ! R9 R(6,8) 1.4113 -DE/DX = 0.0 ! ! R10 R(6,13) 2.2261 -DE/DX = 0.0 ! ! R11 R(8,9) 1.0839 -DE/DX = 0.0 ! ! R12 R(8,10) 1.4824 -DE/DX = 0.0 ! ! R13 R(8,16) 2.2261 -DE/DX = 0.0 ! ! R14 R(10,12) 1.2279 -DE/DX = 0.0 ! ! R15 R(13,14) 1.406 -DE/DX = 0.0 ! ! R16 R(13,17) 1.0846 -DE/DX = 0.0 ! ! R17 R(13,21) 1.509 -DE/DX = 0.0 ! ! R18 R(14,15) 1.3993 -DE/DX = 0.0 ! ! R19 R(14,18) 1.0849 -DE/DX = 0.0 ! ! R20 R(15,16) 1.406 -DE/DX = 0.0 ! ! R21 R(15,19) 1.0849 -DE/DX = 0.0 ! ! R22 R(16,20) 1.0846 -DE/DX = 0.0 ! ! R23 R(16,21) 1.509 -DE/DX = 0.0 ! ! R24 R(21,22) 1.0896 -DE/DX = 0.0 ! ! R25 R(21,23) 1.1026 -DE/DX = 0.0 ! ! A1 A(2,1,3) 122.4987 -DE/DX = 0.0 ! ! A2 A(2,1,10) 115.5781 -DE/DX = 0.0 ! ! A3 A(3,1,10) 121.8975 -DE/DX = 0.0 ! ! A4 A(1,3,4) 122.4987 -DE/DX = 0.0 ! ! A5 A(1,3,5) 121.8976 -DE/DX = 0.0 ! ! A6 A(4,3,5) 115.578 -DE/DX = 0.0 ! ! A7 A(3,5,6) 117.2212 -DE/DX = 0.0 ! ! A8 A(3,5,11) 120.1903 -DE/DX = 0.0 ! ! A9 A(6,5,11) 122.5812 -DE/DX = 0.0 ! ! A10 A(5,6,7) 113.46 -DE/DX = 0.0 ! ! A11 A(5,6,8) 120.5768 -DE/DX = 0.0 ! ! A12 A(5,6,13) 98.942 -DE/DX = 0.0 ! ! A13 A(7,6,8) 120.0916 -DE/DX = 0.0 ! ! A14 A(7,6,13) 93.3871 -DE/DX = 0.0 ! ! A15 A(8,6,13) 101.6534 -DE/DX = 0.0 ! ! A16 A(6,8,9) 120.0917 -DE/DX = 0.0 ! ! A17 A(6,8,10) 120.5773 -DE/DX = 0.0 ! ! A18 A(6,8,16) 101.6534 -DE/DX = 0.0 ! ! A19 A(9,8,10) 113.4602 -DE/DX = 0.0 ! ! A20 A(9,8,16) 93.3864 -DE/DX = 0.0 ! ! A21 A(10,8,16) 98.9409 -DE/DX = 0.0 ! ! A22 A(1,10,8) 117.2211 -DE/DX = 0.0 ! ! A23 A(1,10,12) 120.1903 -DE/DX = 0.0 ! ! A24 A(8,10,12) 122.5813 -DE/DX = 0.0 ! ! A25 A(6,13,14) 97.8838 -DE/DX = 0.0 ! ! A26 A(6,13,17) 102.4745 -DE/DX = 0.0 ! ! A27 A(6,13,21) 91.453 -DE/DX = 0.0 ! ! A28 A(14,13,17) 124.6288 -DE/DX = 0.0 ! ! A29 A(14,13,21) 106.4321 -DE/DX = 0.0 ! ! A30 A(17,13,21) 123.6749 -DE/DX = 0.0 ! ! A31 A(13,14,15) 108.9121 -DE/DX = 0.0 ! ! A32 A(13,14,18) 125.1607 -DE/DX = 0.0 ! ! A33 A(15,14,18) 125.4473 -DE/DX = 0.0 ! ! A34 A(14,15,16) 108.9121 -DE/DX = 0.0 ! ! A35 A(14,15,19) 125.4473 -DE/DX = 0.0 ! ! A36 A(16,15,19) 125.1607 -DE/DX = 0.0 ! ! A37 A(8,16,15) 97.8835 -DE/DX = 0.0 ! ! A38 A(8,16,20) 102.4735 -DE/DX = 0.0 ! ! A39 A(8,16,21) 91.4533 -DE/DX = 0.0 ! ! A40 A(15,16,20) 124.6291 -DE/DX = 0.0 ! ! A41 A(15,16,21) 106.4323 -DE/DX = 0.0 ! ! A42 A(20,16,21) 123.6749 -DE/DX = 0.0 ! ! A43 A(13,21,16) 99.9269 -DE/DX = 0.0 ! ! A44 A(13,21,22) 116.3848 -DE/DX = 0.0 ! ! A45 A(13,21,23) 108.0315 -DE/DX = 0.0 ! ! A46 A(16,21,22) 116.3848 -DE/DX = 0.0 ! ! A47 A(16,21,23) 108.0316 -DE/DX = 0.0 ! ! A48 A(22,21,23) 107.5403 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) 0.0 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) 178.0719 -DE/DX = 0.0 ! ! D3 D(10,1,3,4) -178.0717 -DE/DX = 0.0 ! ! D4 D(10,1,3,5) 0.0002 -DE/DX = 0.0 ! ! D5 D(2,1,10,8) 175.4992 -DE/DX = 0.0 ! ! D6 D(2,1,10,12) -5.454 -DE/DX = 0.0 ! ! D7 D(3,1,10,8) -6.3038 -DE/DX = 0.0 ! ! D8 D(3,1,10,12) 172.743 -DE/DX = 0.0 ! ! D9 D(1,3,5,6) 6.3039 -DE/DX = 0.0 ! ! D10 D(1,3,5,11) -172.7431 -DE/DX = 0.0 ! ! D11 D(4,3,5,6) -175.4989 -DE/DX = 0.0 ! ! D12 D(4,3,5,11) 5.4541 -DE/DX = 0.0 ! ! D13 D(3,5,6,7) -159.2483 -DE/DX = 0.0 ! ! D14 D(3,5,6,8) -6.2165 -DE/DX = 0.0 ! ! D15 D(3,5,6,13) 103.0807 -DE/DX = 0.0 ! ! D16 D(11,5,6,7) 19.7741 -DE/DX = 0.0 ! ! D17 D(11,5,6,8) 172.8059 -DE/DX = 0.0 ! ! D18 D(11,5,6,13) -77.8969 -DE/DX = 0.0 ! ! D19 D(5,6,8,9) -151.2629 -DE/DX = 0.0 ! ! D20 D(5,6,8,10) 0.0007 -DE/DX = 0.0 ! ! D21 D(5,6,8,16) 107.8298 -DE/DX = 0.0 ! ! D22 D(7,6,8,9) -0.0013 -DE/DX = 0.0 ! ! D23 D(7,6,8,10) 151.2624 -DE/DX = 0.0 ! ! D24 D(7,6,8,16) -100.9086 -DE/DX = 0.0 ! ! D25 D(13,6,8,9) 100.9069 -DE/DX = 0.0 ! ! D26 D(13,6,8,10) -107.8294 -DE/DX = 0.0 ! ! D27 D(13,6,8,16) -0.0004 -DE/DX = 0.0 ! ! D28 D(5,6,13,14) 167.3296 -DE/DX = 0.0 ! ! D29 D(5,6,13,17) 39.146 -DE/DX = 0.0 ! ! D30 D(5,6,13,21) -85.8614 -DE/DX = 0.0 ! ! D31 D(7,6,13,14) 52.9346 -DE/DX = 0.0 ! ! D32 D(7,6,13,17) -75.249 -DE/DX = 0.0 ! ! D33 D(7,6,13,21) 159.7437 -DE/DX = 0.0 ! ! D34 D(8,6,13,14) -68.7362 -DE/DX = 0.0 ! ! D35 D(8,6,13,17) 163.0801 -DE/DX = 0.0 ! ! D36 D(8,6,13,21) 38.0728 -DE/DX = 0.0 ! ! D37 D(6,8,10,1) 6.2155 -DE/DX = 0.0 ! ! D38 D(6,8,10,12) -172.8067 -DE/DX = 0.0 ! ! D39 D(9,8,10,1) 159.2491 -DE/DX = 0.0 ! ! D40 D(9,8,10,12) -19.7731 -DE/DX = 0.0 ! ! D41 D(16,8,10,1) -103.0812 -DE/DX = 0.0 ! ! D42 D(16,8,10,12) 77.8966 -DE/DX = 0.0 ! ! D43 D(6,8,16,15) 68.7372 -DE/DX = 0.0 ! ! D44 D(6,8,16,20) -163.0793 -DE/DX = 0.0 ! ! D45 D(6,8,16,21) -38.0721 -DE/DX = 0.0 ! ! D46 D(9,8,16,15) -52.9336 -DE/DX = 0.0 ! ! D47 D(9,8,16,20) 75.25 -DE/DX = 0.0 ! ! D48 D(9,8,16,21) -159.7428 -DE/DX = 0.0 ! ! D49 D(10,8,16,15) -167.3285 -DE/DX = 0.0 ! ! D50 D(10,8,16,20) -39.145 -DE/DX = 0.0 ! ! D51 D(10,8,16,21) 85.8622 -DE/DX = 0.0 ! ! D52 D(6,13,14,15) 74.7518 -DE/DX = 0.0 ! ! D53 D(6,13,14,18) -97.6431 -DE/DX = 0.0 ! ! D54 D(17,13,14,15) -174.1085 -DE/DX = 0.0 ! ! D55 D(17,13,14,18) 13.4965 -DE/DX = 0.0 ! ! D56 D(21,13,14,15) -19.1202 -DE/DX = 0.0 ! ! D57 D(21,13,14,18) 168.4848 -DE/DX = 0.0 ! ! D58 D(6,13,21,16) -69.8612 -DE/DX = 0.0 ! ! D59 D(6,13,21,22) 56.3266 -DE/DX = 0.0 ! ! D60 D(6,13,21,23) 177.343 -DE/DX = 0.0 ! ! D61 D(14,13,21,16) 28.7966 -DE/DX = 0.0 ! ! D62 D(14,13,21,22) 154.9843 -DE/DX = 0.0 ! ! D63 D(14,13,21,23) -83.9992 -DE/DX = 0.0 ! ! D64 D(17,13,21,16) -175.9153 -DE/DX = 0.0 ! ! D65 D(17,13,21,22) -49.7275 -DE/DX = 0.0 ! ! D66 D(17,13,21,23) 71.2889 -DE/DX = 0.0 ! ! D67 D(13,14,15,16) 0.0003 -DE/DX = 0.0 ! ! D68 D(13,14,15,19) -172.3678 -DE/DX = 0.0 ! ! D69 D(18,14,15,16) 172.3681 -DE/DX = 0.0 ! ! D70 D(18,14,15,19) 0.0 -DE/DX = 0.0 ! ! D71 D(14,15,16,8) -74.7524 -DE/DX = 0.0 ! ! D72 D(14,15,16,20) 174.1094 -DE/DX = 0.0 ! ! D73 D(14,15,16,21) 19.1198 -DE/DX = 0.0 ! ! D74 D(19,15,16,8) 97.6428 -DE/DX = 0.0 ! ! D75 D(19,15,16,20) -13.4954 -DE/DX = 0.0 ! ! D76 D(19,15,16,21) -168.4849 -DE/DX = 0.0 ! ! D77 D(8,16,21,13) 69.8611 -DE/DX = 0.0 ! ! D78 D(8,16,21,22) -56.3266 -DE/DX = 0.0 ! ! D79 D(8,16,21,23) -177.3431 -DE/DX = 0.0 ! ! D80 D(15,16,21,13) -28.7965 -DE/DX = 0.0 ! ! D81 D(15,16,21,22) -154.9842 -DE/DX = 0.0 ! ! D82 D(15,16,21,23) 83.9993 -DE/DX = 0.0 ! ! D83 D(20,16,21,13) 175.9141 -DE/DX = 0.0 ! ! D84 D(20,16,21,22) 49.7263 -DE/DX = 0.0 ! ! D85 D(20,16,21,23) -71.2901 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.191352 -0.671964 0.533224 2 1 0 2.930720 -1.256098 1.075535 3 6 0 2.191370 0.671921 0.533223 4 1 0 2.930753 1.256037 1.075533 5 6 0 1.196494 1.459728 -0.249313 6 6 0 0.110358 0.705672 -0.919465 7 1 0 -0.352657 1.249104 -1.734961 8 6 0 0.110348 -0.705659 -0.919470 9 1 0 -0.352692 -1.249080 -1.734958 10 6 0 1.196457 -1.459745 -0.249314 11 8 0 1.304616 2.679839 -0.334850 12 8 0 1.304547 -2.679859 -0.334851 13 6 0 -1.547635 1.155336 0.496350 14 6 0 -2.611657 0.699641 -0.301725 15 6 0 -2.611657 -0.699613 -0.301727 16 6 0 -1.547640 -1.155309 0.496351 17 1 0 -1.366352 2.194903 0.746832 18 1 0 -3.242007 1.328848 -0.921256 19 1 0 -3.242007 -1.328819 -0.921259 20 1 0 -1.366345 -2.194876 0.746824 21 6 0 -1.154478 0.000012 1.383852 22 1 0 -0.129301 0.000010 1.753002 23 1 0 -1.823286 0.000014 2.260409 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.087188 0.000000 3 C 1.343885 2.134947 0.000000 4 H 2.134947 2.512135 1.087189 0.000000 5 C 2.479157 3.484031 1.490899 2.191885 0.000000 6 C 2.887685 3.972783 2.538120 3.498220 1.482361 7 H 3.912435 4.995547 3.456859 4.322003 2.156706 8 C 2.538116 3.498218 2.887680 3.972779 2.513508 9 H 3.456859 4.322004 3.912434 4.995546 3.456119 10 C 1.490899 2.191886 2.479156 3.484031 2.919473 11 O 3.574134 4.486090 2.360428 2.580836 1.227875 12 O 2.360428 2.580838 3.574134 4.486090 4.141880 13 C 4.161780 5.119193 3.770306 4.516808 2.859880 14 C 5.064320 6.036531 4.875138 5.738007 3.883619 15 C 4.875121 5.737985 5.064318 6.036532 4.378072 16 C 3.770284 4.516782 4.161769 5.119184 3.863251 17 H 4.574037 5.521076 3.875886 4.410740 2.846220 18 H 5.969937 6.983672 5.662919 6.488099 4.490983 19 H 5.662894 6.488069 5.969930 6.983668 5.284676 20 H 3.875835 4.410683 4.574001 5.521042 4.573463 21 C 3.517058 4.285057 3.517063 4.285064 3.213264 22 H 2.706444 3.376462 2.706444 3.376462 2.810298 23 H 4.421769 5.057896 4.421775 5.057906 4.189098 6 7 8 9 10 6 C 0.000000 7 H 1.083852 0.000000 8 C 1.411331 2.168063 0.000000 9 H 2.168064 2.498184 1.083851 0.000000 10 C 2.513512 3.456120 1.482359 2.156706 0.000000 11 O 2.380202 2.598820 3.637259 4.488137 4.141880 12 O 3.637263 4.488138 2.380201 2.598821 1.227875 13 C 2.226134 2.532886 2.866488 3.491109 3.863250 14 C 2.791237 2.731146 3.125026 3.309772 4.378062 15 C 3.125027 3.309794 2.791228 2.731115 3.883591 16 C 2.866486 3.491123 2.226131 2.532871 2.859854 17 H 2.678624 2.842782 3.656565 4.364379 4.573483 18 H 3.409795 3.002802 3.921416 3.956762 5.284668 19 H 3.921417 3.956784 3.409782 3.002766 4.490948 20 H 3.656549 4.364381 2.678605 2.842756 2.846166 21 C 2.720852 3.454004 2.720854 3.453993 3.213256 22 H 2.774432 3.711605 2.774438 3.711603 2.810300 23 H 3.787945 4.436886 3.787947 4.436873 4.189087 11 12 13 14 15 11 O 0.000000 12 O 5.359698 0.000000 13 C 3.339212 4.851243 0.000000 14 C 4.388562 5.172888 1.405960 0.000000 15 C 5.172909 4.388522 2.282522 1.399254 0.000000 16 C 4.851249 3.339180 2.310645 2.282520 1.405959 17 H 2.922203 5.662777 1.084576 2.210444 3.320916 18 H 4.779208 6.089725 2.215990 1.084925 2.212648 19 H 6.089745 4.779156 3.324385 2.212649 1.084925 20 H 5.662764 2.922138 3.364450 3.320916 2.210446 21 C 4.022754 4.022742 1.508975 2.335385 2.335385 22 H 3.687374 3.687377 2.219375 3.297496 3.297495 23 H 4.868326 4.868309 2.126654 2.770476 2.770478 16 17 18 19 20 16 C 0.000000 17 H 3.364450 0.000000 18 H 3.324383 2.655306 0.000000 19 H 2.215988 4.326341 2.657667 0.000000 20 H 1.084576 4.389779 4.326341 2.655309 0.000000 21 C 1.508973 2.295263 3.381879 3.381879 2.295262 22 H 2.219374 2.712974 4.313514 4.313513 2.712968 23 H 2.126653 2.705040 3.728480 3.728482 2.705047 21 22 23 21 C 0.000000 22 H 1.089614 0.000000 23 H 1.102568 1.768346 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 -2.191352 0.671965 0.533224 2 1 0 -2.930720 1.256099 1.075535 3 6 0 -2.191370 -0.671920 0.533223 4 1 0 -2.930753 -1.256036 1.075533 5 6 0 -1.196494 -1.459728 -0.249313 6 6 0 -0.110358 -0.705672 -0.919465 7 1 0 0.352657 -1.249104 -1.734961 8 6 0 -0.110348 0.705659 -0.919470 9 1 0 0.352692 1.249080 -1.734958 10 6 0 -1.196457 1.459745 -0.249314 11 8 0 -1.304617 -2.679839 -0.334850 12 8 0 -1.304546 2.679859 -0.334851 13 6 0 1.547635 -1.155336 0.496350 14 6 0 2.611657 -0.699642 -0.301725 15 6 0 2.611657 0.699612 -0.301727 16 6 0 1.547640 1.155309 0.496351 17 1 0 1.366351 -2.194903 0.746832 18 1 0 3.242007 -1.328849 -0.921256 19 1 0 3.242007 1.328818 -0.921259 20 1 0 1.366346 2.194876 0.746824 21 6 0 1.154478 -0.000012 1.383852 22 1 0 0.129301 -0.000010 1.753002 23 1 0 1.823286 -0.000014 2.260409 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239594 0.8867606 0.5915309 1|1| IMPERIAL COLLEGE-CHWS-280|FTS|RB3LYP|6-31G(d)|C11H10O2|MDF14|10-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,2.19 1352,-0.671964,0.533224|H,2.93072,-1.256098,1.075535|C,2.19137,0.67192 1,0.533223|H,2.930753,1.256037,1.075533|C,1.196494,1.459728,-0.249313| C,0.110358,0.705672,-0.919465|H,-0.352657,1.249104,-1.734961|C,0.11034 8,-0.705659,-0.91947|H,-0.352692,-1.24908,-1.734958|C,1.196457,-1.4597 45,-0.249314|O,1.304616,2.679839,-0.33485|O,1.304547,-2.679859,-0.3348 51|C,-1.547635,1.155336,0.49635|C,-2.611657,0.699641,-0.301725|C,-2.61 1657,-0.699613,-0.301727|C,-1.54764,-1.155309,0.496351|H,-1.366352,2.1 94903,0.746832|H,-3.242007,1.328848,-0.921256|H,-3.242007,-1.328819,-0 .921259|H,-1.366345,-2.194876,0.746824|C,-1.154478,0.000012,1.383852|H ,-0.129301,0.00001,1.753002|H,-1.823286,0.000014,2.260409||Version=EM6 4W-G09RevD.01|State=1-A|HF=-575.5265349|RMSD=6.905e-009|RMSF=3.688e-00 6|Dipole=-0.9878018,0.0000069,0.4583015|Polar=0.,0.,0.,0.,0.,0.|Quadru pole=5.7365835,-10.4189335,4.68235,-0.000209,3.3826395,-0.0000239|PG=C 01 [X(C11H10O2)]||@ IF I HAVE SEEN FARTHER, IT IS BY STANDING ON THE SHOULDERS OF GIANTS. -- SIR ISAAC NEWTON Job cpu time: 0 days 0 hours 15 minutes 51.0 seconds. File lengths (MBytes): RWF= 129 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 10 15:39:34 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: "H:\Trans_states_complab\MDF_ex2_exo_B3LYP_MOs.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,2.191352,-0.671964,0.533224 H,0,2.93072,-1.256098,1.075535 C,0,2.19137,0.671921,0.533223 H,0,2.930753,1.256037,1.075533 C,0,1.196494,1.459728,-0.249313 C,0,0.110358,0.705672,-0.919465 H,0,-0.352657,1.249104,-1.734961 C,0,0.110348,-0.705659,-0.91947 H,0,-0.352692,-1.24908,-1.734958 C,0,1.196457,-1.459745,-0.249314 O,0,1.304616,2.679839,-0.33485 O,0,1.304547,-2.679859,-0.334851 C,0,-1.547635,1.155336,0.49635 C,0,-2.611657,0.699641,-0.301725 C,0,-2.611657,-0.699613,-0.301727 C,0,-1.54764,-1.155309,0.496351 H,0,-1.366352,2.194903,0.746832 H,0,-3.242007,1.328848,-0.921256 H,0,-3.242007,-1.328819,-0.921259 H,0,-1.366345,-2.194876,0.746824 C,0,-1.154478,0.000012,1.383852 H,0,-0.129301,0.00001,1.753002 H,0,-1.823286,0.000014,2.260409 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0872 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.3439 calculate D2E/DX2 analytically ! ! R3 R(1,10) 1.4909 calculate D2E/DX2 analytically ! ! R4 R(3,4) 1.0872 calculate D2E/DX2 analytically ! ! R5 R(3,5) 1.4909 calculate D2E/DX2 analytically ! ! R6 R(5,6) 1.4824 calculate D2E/DX2 analytically ! ! R7 R(5,11) 1.2279 calculate D2E/DX2 analytically ! ! R8 R(6,7) 1.0839 calculate D2E/DX2 analytically ! ! R9 R(6,8) 1.4113 calculate D2E/DX2 analytically ! ! R10 R(6,13) 2.2261 calculate D2E/DX2 analytically ! ! R11 R(8,9) 1.0839 calculate D2E/DX2 analytically ! ! R12 R(8,10) 1.4824 calculate D2E/DX2 analytically ! ! R13 R(8,16) 2.2261 calculate D2E/DX2 analytically ! ! R14 R(10,12) 1.2279 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.406 calculate D2E/DX2 analytically ! ! R16 R(13,17) 1.0846 calculate D2E/DX2 analytically ! ! R17 R(13,21) 1.509 calculate D2E/DX2 analytically ! ! R18 R(14,15) 1.3993 calculate D2E/DX2 analytically ! ! R19 R(14,18) 1.0849 calculate D2E/DX2 analytically ! ! R20 R(15,16) 1.406 calculate D2E/DX2 analytically ! ! R21 R(15,19) 1.0849 calculate D2E/DX2 analytically ! ! R22 R(16,20) 1.0846 calculate D2E/DX2 analytically ! ! R23 R(16,21) 1.509 calculate D2E/DX2 analytically ! ! R24 R(21,22) 1.0896 calculate D2E/DX2 analytically ! ! R25 R(21,23) 1.1026 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 122.4987 calculate D2E/DX2 analytically ! ! A2 A(2,1,10) 115.5781 calculate D2E/DX2 analytically ! ! A3 A(3,1,10) 121.8975 calculate D2E/DX2 analytically ! ! A4 A(1,3,4) 122.4987 calculate D2E/DX2 analytically ! ! A5 A(1,3,5) 121.8976 calculate D2E/DX2 analytically ! ! A6 A(4,3,5) 115.578 calculate D2E/DX2 analytically ! ! A7 A(3,5,6) 117.2212 calculate D2E/DX2 analytically ! ! A8 A(3,5,11) 120.1903 calculate D2E/DX2 analytically ! ! A9 A(6,5,11) 122.5812 calculate D2E/DX2 analytically ! ! A10 A(5,6,7) 113.46 calculate D2E/DX2 analytically ! ! A11 A(5,6,8) 120.5768 calculate D2E/DX2 analytically ! ! A12 A(5,6,13) 98.942 calculate D2E/DX2 analytically ! ! A13 A(7,6,8) 120.0916 calculate D2E/DX2 analytically ! ! A14 A(7,6,13) 93.3871 calculate D2E/DX2 analytically ! ! A15 A(8,6,13) 101.6534 calculate D2E/DX2 analytically ! ! A16 A(6,8,9) 120.0917 calculate D2E/DX2 analytically ! ! A17 A(6,8,10) 120.5773 calculate D2E/DX2 analytically ! ! A18 A(6,8,16) 101.6534 calculate D2E/DX2 analytically ! ! A19 A(9,8,10) 113.4602 calculate D2E/DX2 analytically ! ! A20 A(9,8,16) 93.3864 calculate D2E/DX2 analytically ! ! A21 A(10,8,16) 98.9409 calculate D2E/DX2 analytically ! ! A22 A(1,10,8) 117.2211 calculate D2E/DX2 analytically ! ! A23 A(1,10,12) 120.1903 calculate D2E/DX2 analytically ! ! A24 A(8,10,12) 122.5813 calculate D2E/DX2 analytically ! ! A25 A(6,13,14) 97.8838 calculate D2E/DX2 analytically ! ! A26 A(6,13,17) 102.4745 calculate D2E/DX2 analytically ! ! A27 A(6,13,21) 91.453 calculate D2E/DX2 analytically ! ! A28 A(14,13,17) 124.6288 calculate D2E/DX2 analytically ! ! A29 A(14,13,21) 106.4321 calculate D2E/DX2 analytically ! ! A30 A(17,13,21) 123.6749 calculate D2E/DX2 analytically ! ! A31 A(13,14,15) 108.9121 calculate D2E/DX2 analytically ! ! A32 A(13,14,18) 125.1607 calculate D2E/DX2 analytically ! ! A33 A(15,14,18) 125.4473 calculate D2E/DX2 analytically ! ! A34 A(14,15,16) 108.9121 calculate D2E/DX2 analytically ! ! A35 A(14,15,19) 125.4473 calculate D2E/DX2 analytically ! ! A36 A(16,15,19) 125.1607 calculate D2E/DX2 analytically ! ! A37 A(8,16,15) 97.8835 calculate D2E/DX2 analytically ! ! A38 A(8,16,20) 102.4735 calculate D2E/DX2 analytically ! ! A39 A(8,16,21) 91.4533 calculate D2E/DX2 analytically ! ! A40 A(15,16,20) 124.6291 calculate D2E/DX2 analytically ! ! A41 A(15,16,21) 106.4323 calculate D2E/DX2 analytically ! ! A42 A(20,16,21) 123.6749 calculate D2E/DX2 analytically ! ! A43 A(13,21,16) 99.9269 calculate D2E/DX2 analytically ! ! A44 A(13,21,22) 116.3848 calculate D2E/DX2 analytically ! ! A45 A(13,21,23) 108.0315 calculate D2E/DX2 analytically ! ! A46 A(16,21,22) 116.3848 calculate D2E/DX2 analytically ! ! A47 A(16,21,23) 108.0316 calculate D2E/DX2 analytically ! ! A48 A(22,21,23) 107.5403 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) 0.0 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) 178.0719 calculate D2E/DX2 analytically ! ! D3 D(10,1,3,4) -178.0717 calculate D2E/DX2 analytically ! ! D4 D(10,1,3,5) 0.0002 calculate D2E/DX2 analytically ! ! D5 D(2,1,10,8) 175.4992 calculate D2E/DX2 analytically ! ! D6 D(2,1,10,12) -5.454 calculate D2E/DX2 analytically ! ! D7 D(3,1,10,8) -6.3038 calculate D2E/DX2 analytically ! ! D8 D(3,1,10,12) 172.743 calculate D2E/DX2 analytically ! ! D9 D(1,3,5,6) 6.3039 calculate D2E/DX2 analytically ! ! D10 D(1,3,5,11) -172.7431 calculate D2E/DX2 analytically ! ! D11 D(4,3,5,6) -175.4989 calculate D2E/DX2 analytically ! ! D12 D(4,3,5,11) 5.4541 calculate D2E/DX2 analytically ! ! D13 D(3,5,6,7) -159.2483 calculate D2E/DX2 analytically ! ! D14 D(3,5,6,8) -6.2165 calculate D2E/DX2 analytically ! ! D15 D(3,5,6,13) 103.0807 calculate D2E/DX2 analytically ! ! D16 D(11,5,6,7) 19.7741 calculate D2E/DX2 analytically ! ! D17 D(11,5,6,8) 172.8059 calculate D2E/DX2 analytically ! ! D18 D(11,5,6,13) -77.8969 calculate D2E/DX2 analytically ! ! D19 D(5,6,8,9) -151.2629 calculate D2E/DX2 analytically ! ! D20 D(5,6,8,10) 0.0007 calculate D2E/DX2 analytically ! ! D21 D(5,6,8,16) 107.8298 calculate D2E/DX2 analytically ! ! D22 D(7,6,8,9) -0.0013 calculate D2E/DX2 analytically ! ! D23 D(7,6,8,10) 151.2624 calculate D2E/DX2 analytically ! ! D24 D(7,6,8,16) -100.9086 calculate D2E/DX2 analytically ! ! D25 D(13,6,8,9) 100.9069 calculate D2E/DX2 analytically ! ! D26 D(13,6,8,10) -107.8294 calculate D2E/DX2 analytically ! ! D27 D(13,6,8,16) -0.0004 calculate D2E/DX2 analytically ! ! D28 D(5,6,13,14) 167.3296 calculate D2E/DX2 analytically ! ! D29 D(5,6,13,17) 39.146 calculate D2E/DX2 analytically ! ! D30 D(5,6,13,21) -85.8614 calculate D2E/DX2 analytically ! ! D31 D(7,6,13,14) 52.9346 calculate D2E/DX2 analytically ! ! D32 D(7,6,13,17) -75.249 calculate D2E/DX2 analytically ! ! D33 D(7,6,13,21) 159.7437 calculate D2E/DX2 analytically ! ! D34 D(8,6,13,14) -68.7362 calculate D2E/DX2 analytically ! ! D35 D(8,6,13,17) 163.0801 calculate D2E/DX2 analytically ! ! D36 D(8,6,13,21) 38.0728 calculate D2E/DX2 analytically ! ! D37 D(6,8,10,1) 6.2155 calculate D2E/DX2 analytically ! ! D38 D(6,8,10,12) -172.8067 calculate D2E/DX2 analytically ! ! D39 D(9,8,10,1) 159.2491 calculate D2E/DX2 analytically ! ! D40 D(9,8,10,12) -19.7731 calculate D2E/DX2 analytically ! ! D41 D(16,8,10,1) -103.0812 calculate D2E/DX2 analytically ! ! D42 D(16,8,10,12) 77.8966 calculate D2E/DX2 analytically ! ! D43 D(6,8,16,15) 68.7372 calculate D2E/DX2 analytically ! ! D44 D(6,8,16,20) -163.0793 calculate D2E/DX2 analytically ! ! D45 D(6,8,16,21) -38.0721 calculate D2E/DX2 analytically ! ! D46 D(9,8,16,15) -52.9336 calculate D2E/DX2 analytically ! ! D47 D(9,8,16,20) 75.25 calculate D2E/DX2 analytically ! ! D48 D(9,8,16,21) -159.7428 calculate D2E/DX2 analytically ! ! D49 D(10,8,16,15) -167.3285 calculate D2E/DX2 analytically ! ! D50 D(10,8,16,20) -39.145 calculate D2E/DX2 analytically ! ! D51 D(10,8,16,21) 85.8622 calculate D2E/DX2 analytically ! ! D52 D(6,13,14,15) 74.7518 calculate D2E/DX2 analytically ! ! D53 D(6,13,14,18) -97.6431 calculate D2E/DX2 analytically ! ! D54 D(17,13,14,15) -174.1085 calculate D2E/DX2 analytically ! ! D55 D(17,13,14,18) 13.4965 calculate D2E/DX2 analytically ! ! D56 D(21,13,14,15) -19.1202 calculate D2E/DX2 analytically ! ! D57 D(21,13,14,18) 168.4848 calculate D2E/DX2 analytically ! ! D58 D(6,13,21,16) -69.8612 calculate D2E/DX2 analytically ! ! D59 D(6,13,21,22) 56.3266 calculate D2E/DX2 analytically ! ! D60 D(6,13,21,23) 177.343 calculate D2E/DX2 analytically ! ! D61 D(14,13,21,16) 28.7966 calculate D2E/DX2 analytically ! ! D62 D(14,13,21,22) 154.9843 calculate D2E/DX2 analytically ! ! D63 D(14,13,21,23) -83.9992 calculate D2E/DX2 analytically ! ! D64 D(17,13,21,16) -175.9153 calculate D2E/DX2 analytically ! ! D65 D(17,13,21,22) -49.7275 calculate D2E/DX2 analytically ! ! D66 D(17,13,21,23) 71.2889 calculate D2E/DX2 analytically ! ! D67 D(13,14,15,16) 0.0003 calculate D2E/DX2 analytically ! ! D68 D(13,14,15,19) -172.3678 calculate D2E/DX2 analytically ! ! D69 D(18,14,15,16) 172.3681 calculate D2E/DX2 analytically ! ! D70 D(18,14,15,19) 0.0 calculate D2E/DX2 analytically ! ! D71 D(14,15,16,8) -74.7524 calculate D2E/DX2 analytically ! ! D72 D(14,15,16,20) 174.1094 calculate D2E/DX2 analytically ! ! D73 D(14,15,16,21) 19.1198 calculate D2E/DX2 analytically ! ! D74 D(19,15,16,8) 97.6428 calculate D2E/DX2 analytically ! ! D75 D(19,15,16,20) -13.4954 calculate D2E/DX2 analytically ! ! D76 D(19,15,16,21) -168.4849 calculate D2E/DX2 analytically ! ! D77 D(8,16,21,13) 69.8611 calculate D2E/DX2 analytically ! ! D78 D(8,16,21,22) -56.3266 calculate D2E/DX2 analytically ! ! D79 D(8,16,21,23) -177.3431 calculate D2E/DX2 analytically ! ! D80 D(15,16,21,13) -28.7965 calculate D2E/DX2 analytically ! ! D81 D(15,16,21,22) -154.9842 calculate D2E/DX2 analytically ! ! D82 D(15,16,21,23) 83.9993 calculate D2E/DX2 analytically ! ! D83 D(20,16,21,13) 175.9141 calculate D2E/DX2 analytically ! ! D84 D(20,16,21,22) 49.7263 calculate D2E/DX2 analytically ! ! D85 D(20,16,21,23) -71.2901 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 2.191352 -0.671964 0.533224 2 1 0 2.930720 -1.256098 1.075535 3 6 0 2.191370 0.671921 0.533223 4 1 0 2.930753 1.256037 1.075533 5 6 0 1.196494 1.459728 -0.249313 6 6 0 0.110358 0.705672 -0.919465 7 1 0 -0.352657 1.249104 -1.734961 8 6 0 0.110348 -0.705659 -0.919470 9 1 0 -0.352692 -1.249080 -1.734958 10 6 0 1.196457 -1.459745 -0.249314 11 8 0 1.304616 2.679839 -0.334850 12 8 0 1.304547 -2.679859 -0.334851 13 6 0 -1.547635 1.155336 0.496350 14 6 0 -2.611657 0.699641 -0.301725 15 6 0 -2.611657 -0.699613 -0.301727 16 6 0 -1.547640 -1.155309 0.496351 17 1 0 -1.366352 2.194903 0.746832 18 1 0 -3.242007 1.328848 -0.921256 19 1 0 -3.242007 -1.328819 -0.921259 20 1 0 -1.366345 -2.194876 0.746824 21 6 0 -1.154478 0.000012 1.383852 22 1 0 -0.129301 0.000010 1.753002 23 1 0 -1.823286 0.000014 2.260409 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.087188 0.000000 3 C 1.343885 2.134947 0.000000 4 H 2.134947 2.512135 1.087189 0.000000 5 C 2.479157 3.484031 1.490899 2.191885 0.000000 6 C 2.887685 3.972783 2.538120 3.498220 1.482361 7 H 3.912435 4.995547 3.456859 4.322003 2.156706 8 C 2.538116 3.498218 2.887680 3.972779 2.513508 9 H 3.456859 4.322004 3.912434 4.995546 3.456119 10 C 1.490899 2.191886 2.479156 3.484031 2.919473 11 O 3.574134 4.486090 2.360428 2.580836 1.227875 12 O 2.360428 2.580838 3.574134 4.486090 4.141880 13 C 4.161780 5.119193 3.770306 4.516808 2.859880 14 C 5.064320 6.036531 4.875138 5.738007 3.883619 15 C 4.875121 5.737985 5.064318 6.036532 4.378072 16 C 3.770284 4.516782 4.161769 5.119184 3.863251 17 H 4.574037 5.521076 3.875886 4.410740 2.846220 18 H 5.969937 6.983672 5.662919 6.488099 4.490983 19 H 5.662894 6.488069 5.969930 6.983668 5.284676 20 H 3.875835 4.410683 4.574001 5.521042 4.573463 21 C 3.517058 4.285057 3.517063 4.285064 3.213264 22 H 2.706444 3.376462 2.706444 3.376462 2.810298 23 H 4.421769 5.057896 4.421775 5.057906 4.189098 6 7 8 9 10 6 C 0.000000 7 H 1.083852 0.000000 8 C 1.411331 2.168063 0.000000 9 H 2.168064 2.498184 1.083851 0.000000 10 C 2.513512 3.456120 1.482359 2.156706 0.000000 11 O 2.380202 2.598820 3.637259 4.488137 4.141880 12 O 3.637263 4.488138 2.380201 2.598821 1.227875 13 C 2.226134 2.532886 2.866488 3.491109 3.863250 14 C 2.791237 2.731146 3.125026 3.309772 4.378062 15 C 3.125027 3.309794 2.791228 2.731115 3.883591 16 C 2.866486 3.491123 2.226131 2.532871 2.859854 17 H 2.678624 2.842782 3.656565 4.364379 4.573483 18 H 3.409795 3.002802 3.921416 3.956762 5.284668 19 H 3.921417 3.956784 3.409782 3.002766 4.490948 20 H 3.656549 4.364381 2.678605 2.842756 2.846166 21 C 2.720852 3.454004 2.720854 3.453993 3.213256 22 H 2.774432 3.711605 2.774438 3.711603 2.810300 23 H 3.787945 4.436886 3.787947 4.436873 4.189087 11 12 13 14 15 11 O 0.000000 12 O 5.359698 0.000000 13 C 3.339212 4.851243 0.000000 14 C 4.388562 5.172888 1.405960 0.000000 15 C 5.172909 4.388522 2.282522 1.399254 0.000000 16 C 4.851249 3.339180 2.310645 2.282520 1.405959 17 H 2.922203 5.662777 1.084576 2.210444 3.320916 18 H 4.779208 6.089725 2.215990 1.084925 2.212648 19 H 6.089745 4.779156 3.324385 2.212649 1.084925 20 H 5.662764 2.922138 3.364450 3.320916 2.210446 21 C 4.022754 4.022742 1.508975 2.335385 2.335385 22 H 3.687374 3.687377 2.219375 3.297496 3.297495 23 H 4.868326 4.868309 2.126654 2.770476 2.770478 16 17 18 19 20 16 C 0.000000 17 H 3.364450 0.000000 18 H 3.324383 2.655306 0.000000 19 H 2.215988 4.326341 2.657667 0.000000 20 H 1.084576 4.389779 4.326341 2.655309 0.000000 21 C 1.508973 2.295263 3.381879 3.381879 2.295262 22 H 2.219374 2.712974 4.313514 4.313513 2.712968 23 H 2.126653 2.705040 3.728480 3.728482 2.705047 21 22 23 21 C 0.000000 22 H 1.089614 0.000000 23 H 1.102568 1.768346 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 -2.191352 0.671965 0.533224 2 1 0 -2.930720 1.256099 1.075535 3 6 0 -2.191370 -0.671920 0.533223 4 1 0 -2.930753 -1.256036 1.075533 5 6 0 -1.196494 -1.459728 -0.249313 6 6 0 -0.110358 -0.705672 -0.919465 7 1 0 0.352657 -1.249104 -1.734961 8 6 0 -0.110348 0.705659 -0.919470 9 1 0 0.352692 1.249080 -1.734958 10 6 0 -1.196457 1.459745 -0.249314 11 8 0 -1.304617 -2.679839 -0.334850 12 8 0 -1.304546 2.679859 -0.334851 13 6 0 1.547635 -1.155336 0.496350 14 6 0 2.611657 -0.699642 -0.301725 15 6 0 2.611657 0.699612 -0.301727 16 6 0 1.547640 1.155309 0.496351 17 1 0 1.366351 -2.194903 0.746832 18 1 0 3.242007 -1.328849 -0.921256 19 1 0 3.242007 1.328818 -0.921259 20 1 0 1.366346 2.194876 0.746824 21 6 0 1.154478 -0.000012 1.383852 22 1 0 0.129301 -0.000010 1.753002 23 1 0 1.823286 -0.000014 2.260409 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1239594 0.8867606 0.5915309 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -4.141054793741 1.269828990451 1.007647142617 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 -4.141054793741 1.269828990451 1.007647142617 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 -4.141054793741 1.269828990451 1.007647142617 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -4.141054793741 1.269828990451 1.007647142617 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 -5.538257559218 2.373682611974 2.032466411469 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H2 Shell 6 S 1 bf 17 - 17 -5.538257559218 2.373682611974 2.032466411469 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 -4.141089420650 -1.269745613634 1.007645252891 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 8 SP 3 bf 19 - 22 -4.141089420650 -1.269745613634 1.007645252891 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 9 SP 1 bf 23 - 26 -4.141089420650 -1.269745613634 1.007645252891 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 -4.141089420650 -1.269745613634 1.007645252891 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 -5.538321063896 -2.373564546847 2.032462632016 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 12 S 1 bf 34 - 34 -5.538321063896 -2.373564546847 2.032462632016 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 -2.261046603139 -2.758485542148 -0.471133476233 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 14 SP 3 bf 36 - 39 -2.261046603139 -2.758485542148 -0.471133476233 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 15 SP 1 bf 40 - 43 -2.261046603139 -2.758485542148 -0.471133476233 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 -2.261046603139 -2.758485542148 -0.471133476233 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 17 S 6 bf 50 - 50 -0.208546676768 -1.333526707781 -1.737537223638 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 C6 Shell 18 SP 3 bf 51 - 54 -0.208546676768 -1.333526707781 -1.737537223638 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 C6 Shell 19 SP 1 bf 55 - 58 -0.208546676768 -1.333526707781 -1.737537223638 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 20 D 1 bf 59 - 64 -0.208546676768 -1.333526707781 -1.737537223638 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 0.666424621239 -2.360464570427 -3.278601326102 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 0.666424621239 -2.360464570427 -3.278601326102 0.1612777588D+00 0.1000000000D+01 Atom C8 Shell 23 S 6 bf 67 - 67 -0.208527136961 1.333502365066 -1.737546672269 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 C8 Shell 24 SP 3 bf 68 - 71 -0.208527136961 1.333502365066 -1.737546672269 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 C8 Shell 25 SP 1 bf 72 - 75 -0.208527136961 1.333502365066 -1.737546672269 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 26 D 1 bf 76 - 81 -0.208527136961 1.333502365066 -1.737546672269 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 0.666491899017 2.360419019114 -3.278595656924 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 0.666491899017 2.360419019114 -3.278595656924 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 -2.260975354105 2.758518880189 -0.471135365959 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 C10 Shell 30 SP 3 bf 85 - 88 -2.260975354105 2.758518880189 -0.471135365959 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 C10 Shell 31 SP 1 bf 89 - 92 -2.260975354105 2.758518880189 -0.471135365959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 -2.260975354105 2.758518880189 -0.471135365959 0.8000000000D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 -2.465368127567 -5.064161134644 -0.632774980461 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 O11 Shell 34 SP 3 bf 100 - 103 -2.465368127567 -5.064161134644 -0.632774980461 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 O11 Shell 35 SP 1 bf 104 - 107 -2.465368127567 -5.064161134644 -0.632774980461 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 -2.465368127567 -5.064161134644 -0.632774980461 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 -2.465235296320 5.064200240300 -0.632776870187 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 O12 Shell 38 SP 3 bf 115 - 118 -2.465235296320 5.064200240300 -0.632776870187 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 O12 Shell 39 SP 1 bf 119 - 122 -2.465235296320 5.064200240300 -0.632776870187 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 -2.465235296320 5.064200240300 -0.632776870187 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 2.924605818752 -2.183269274444 0.937965381193 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 42 SP 3 bf 130 - 133 2.924605818752 -2.183269274444 0.937965381193 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 43 SP 1 bf 134 - 137 2.924605818752 -2.183269274444 0.937965381193 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 2.924605818752 -2.183269274444 0.937965381193 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 4.935316205585 -1.322131008742 -0.570177802309 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 46 SP 3 bf 145 - 148 4.935316205585 -1.322131008742 -0.570177802309 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 47 SP 1 bf 149 - 152 4.935316205585 -1.322131008742 -0.570177802309 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 4.935316205585 -1.322131008742 -0.570177802309 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 4.935316842632 1.322075841602 -0.570181581762 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 50 SP 3 bf 160 - 163 4.935316842632 1.322075841602 -0.570181581762 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 51 SP 1 bf 164 - 167 4.935316842632 1.322075841602 -0.570181581762 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 4.935316842632 1.322075841602 -0.570181581762 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 53 S 6 bf 174 - 174 2.924616319365 2.183216965876 0.937967270919 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 54 SP 3 bf 175 - 178 2.924616319365 2.183216965876 0.937967270919 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 55 SP 1 bf 179 - 182 2.924616319365 2.183216965876 0.937967270919 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 56 D 1 bf 183 - 188 2.924616319365 2.183216965876 0.937967270919 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 57 S 3 bf 189 - 189 2.582030122914 -4.147766118695 1.411307762411 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 58 S 1 bf 190 - 190 2.582030122914 -4.147766118695 1.411307762411 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 59 S 3 bf 191 - 191 6.126504786986 -2.511160206620 -1.740921723142 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 60 S 1 bf 192 - 192 6.126504786986 -2.511160206620 -1.740921723142 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 61 S 3 bf 193 - 193 6.126505996959 2.511102575787 -1.740927392321 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 62 S 1 bf 194 - 194 6.126505996959 2.511102575787 -1.740927392321 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 63 S 3 bf 195 - 195 2.582018893394 4.147713975200 1.411292644602 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 64 S 1 bf 196 - 196 2.582018893394 4.147713975200 1.411292644602 0.1612777588D+00 0.1000000000D+01 Atom C21 Shell 65 S 6 bf 197 - 197 2.181647287517 -0.000023140699 2.615101103582 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 66 SP 3 bf 198 - 201 2.181647287517 -0.000023140699 2.615101103582 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 67 SP 1 bf 202 - 205 2.181647287517 -0.000023140699 2.615101103582 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 68 D 1 bf 206 - 211 2.181647287517 -0.000023140699 2.615101103582 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 69 S 3 bf 212 - 212 0.244343519785 -0.000018894508 3.312693505536 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 70 S 1 bf 213 - 213 0.244343519785 -0.000018894508 3.312693505536 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 3.445511242999 -0.000027224643 4.271553773445 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 72 S 1 bf 215 - 215 3.445511242999 -0.000027224643 4.271553773445 0.1612777588D+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 767.5011339421 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: "H:\Trans_states_complab\MDF_ex2_exo_B3LYP_MOs.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. 61 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 2.95D-08 2.07D-05. 9 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 2.35D-11 5.96D-07. 3 vectors produced by pass 7 Test12= 1.08D-14 1.39D-09 XBig12= 1.69D-14 1.97D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-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 -0.46922 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 -0.00001 0.00002 -0.00139 0.00147 -0.00010 2 2S -0.00012 0.00015 0.00041 -0.00023 -0.00005 3 2PX 0.00002 0.00002 0.00013 -0.00015 -0.00003 4 2PY -0.00004 -0.00009 0.00012 0.00006 -0.00002 5 2PZ -0.00001 -0.00001 -0.00007 0.00016 0.00003 6 3S 0.00304 -0.00037 -0.01136 0.00260 -0.00053 7 3PX 0.00131 -0.00074 -0.00454 0.00170 0.00004 8 3PY -0.00158 0.00078 0.00358 -0.00056 0.00092 9 3PZ -0.00085 0.00050 0.00299 -0.00124 -0.00013 10 4XX 0.00003 0.00000 0.00022 -0.00020 -0.00003 11 4YY 0.00009 -0.00003 0.00029 -0.00020 -0.00003 12 4ZZ 0.00001 0.00003 0.00026 -0.00023 -0.00004 13 4XY 0.00002 0.00000 0.00014 -0.00011 -0.00001 14 4XZ -0.00002 0.00005 -0.00005 0.00002 0.00000 15 4YZ -0.00002 0.00000 -0.00013 0.00012 -0.00001 16 2 H 1S 0.00007 -0.00005 -0.00015 0.00005 -0.00003 17 2S 0.00059 -0.00053 -0.00146 0.00078 -0.00007 18 3 C 1S 0.00001 0.00002 0.00140 0.00146 0.00010 19 2S 0.00013 0.00014 -0.00041 -0.00023 0.00005 20 2PX -0.00002 0.00002 -0.00013 -0.00015 0.00004 21 2PY -0.00003 0.00010 0.00012 -0.00007 -0.00002 22 2PZ 0.00001 -0.00001 0.00007 0.00016 -0.00003 23 3S -0.00307 -0.00009 0.01138 0.00251 0.00053 24 3PX -0.00137 -0.00062 0.00455 0.00166 -0.00004 25 3PY -0.00164 -0.00063 0.00358 0.00054 0.00092 26 3PZ 0.00090 0.00042 -0.00300 -0.00122 0.00013 27 4XX -0.00003 0.00000 -0.00022 -0.00020 0.00003 28 4YY -0.00009 -0.00002 -0.00029 -0.00020 0.00003 29 4ZZ -0.00001 0.00003 -0.00027 -0.00023 0.00004 30 4XY 0.00002 0.00000 0.00014 0.00011 -0.00001 31 4XZ 0.00003 0.00004 0.00005 0.00001 0.00000 32 4YZ -0.00002 0.00000 -0.00013 -0.00012 -0.00001 33 4 H 1S -0.00007 -0.00005 0.00015 0.00005 0.00003 34 2S -0.00064 -0.00048 0.00147 0.00077 0.00007 35 5 C 1S -0.00006 -0.00002 0.70486 0.69951 0.00002 36 2S 0.00010 0.00026 0.03536 0.03460 0.00002 37 2PX 0.00002 0.00000 0.00001 0.00001 -0.00018 38 2PY -0.00005 -0.00001 -0.00035 -0.00042 -0.00009 39 2PZ 0.00001 0.00001 0.00001 0.00005 0.00000 40 3S -0.00095 -0.00174 -0.01280 -0.00836 -0.00061 41 3PX 0.00051 0.00046 -0.00113 -0.00095 -0.00111 42 3PY 0.00549 0.00344 -0.00957 -0.00483 -0.00157 43 3PZ 0.00034 0.00009 -0.00065 -0.00024 0.00025 44 4XX -0.00005 -0.00003 -0.00646 -0.00650 -0.00016 45 4YY -0.00076 -0.00059 -0.00564 -0.00579 -0.00010 46 4ZZ -0.00011 -0.00004 -0.00643 -0.00654 -0.00003 47 4XY -0.00007 -0.00006 0.00009 0.00009 -0.00005 48 4XZ -0.00005 0.00000 -0.00001 -0.00009 -0.00001 49 4YZ -0.00004 -0.00004 0.00006 0.00008 -0.00004 50 6 C 1S 0.00004 0.00004 0.00131 0.00134 -0.00030 51 2S 0.00023 0.00020 -0.00040 -0.00028 -0.00121 52 2PX 0.00006 0.00000 0.00004 0.00016 0.00002 53 2PY -0.00004 0.00009 0.00011 -0.00010 0.00012 54 2PZ 0.00004 0.00004 -0.00008 -0.00008 -0.00012 55 3S -0.00357 -0.00081 0.01068 0.00346 0.00823 56 3PX 0.00098 0.00054 -0.00379 -0.00172 0.00070 57 3PY -0.00154 -0.00036 0.00284 0.00018 0.00130 58 3PZ -0.00135 -0.00061 0.00316 0.00125 0.00292 59 4XX 0.00001 0.00002 -0.00022 -0.00020 -0.00010 60 4YY -0.00003 0.00003 -0.00020 -0.00020 -0.00030 61 4ZZ 0.00005 0.00008 -0.00022 -0.00023 -0.00018 62 4XY -0.00002 0.00002 -0.00016 -0.00014 0.00003 63 4XZ 0.00002 0.00003 0.00001 0.00000 0.00015 64 4YZ 0.00000 0.00002 0.00009 0.00006 0.00004 65 7 H 1S -0.00004 -0.00003 0.00008 0.00003 -0.00023 66 2S -0.00051 -0.00030 0.00107 0.00047 0.00024 67 8 C 1S -0.00003 0.00004 -0.00130 0.00135 0.00030 68 2S -0.00021 0.00022 0.00040 -0.00028 0.00120 69 2PX -0.00006 0.00001 -0.00004 0.00016 -0.00002 70 2PY -0.00005 -0.00008 0.00011 0.00010 0.00012 71 2PZ -0.00004 0.00005 0.00008 -0.00008 0.00012 72 3S 0.00348 -0.00113 -0.01065 0.00354 -0.00820 73 3PX -0.00092 0.00063 0.00378 -0.00175 -0.00069 74 3PY -0.00150 0.00050 0.00284 -0.00020 0.00131 75 3PZ 0.00129 -0.00073 -0.00315 0.00127 -0.00291 76 4XX -0.00001 0.00002 0.00022 -0.00020 0.00010 77 4YY 0.00003 0.00003 0.00020 -0.00020 0.00029 78 4ZZ -0.00004 0.00009 0.00022 -0.00023 0.00017 79 4XY -0.00002 -0.00002 -0.00016 0.00014 0.00003 80 4XZ -0.00002 0.00003 -0.00001 0.00000 -0.00014 81 4YZ -0.00001 -0.00002 0.00009 -0.00006 0.00004 82 9 H 1S 0.00004 -0.00003 -0.00008 0.00003 0.00023 83 2S 0.00048 -0.00034 -0.00107 0.00047 -0.00024 84 10 C 1S 0.00006 -0.00002 -0.69962 0.70474 -0.00002 85 2S -0.00008 0.00027 -0.03510 0.03486 -0.00002 86 2PX -0.00002 0.00001 -0.00001 0.00001 0.00018 87 2PY -0.00005 0.00002 -0.00035 0.00042 -0.00009 88 2PZ -0.00001 0.00001 -0.00001 0.00005 0.00000 89 3S 0.00078 -0.00183 0.01274 -0.00846 0.00061 90 3PX -0.00046 0.00051 0.00112 -0.00096 0.00110 91 3PY 0.00515 -0.00393 -0.00953 0.00490 -0.00156 92 3PZ -0.00033 0.00012 0.00065 -0.00024 -0.00025 93 4XX 0.00005 -0.00004 0.00641 -0.00655 0.00016 94 4YY 0.00070 -0.00066 0.00559 -0.00583 0.00010 95 4ZZ 0.00011 -0.00005 0.00638 -0.00659 0.00003 96 4XY -0.00006 0.00006 0.00009 -0.00009 -0.00005 97 4XZ 0.00005 -0.00001 0.00001 -0.00009 0.00001 98 4YZ -0.00004 0.00004 0.00006 -0.00008 -0.00004 99 11 O 1S 0.73365 0.66868 0.00006 -0.00003 0.00006 100 2S 0.01857 0.01710 0.00092 0.00051 0.00026 101 2PX 0.00007 0.00007 -0.00001 -0.00002 0.00001 102 2PY 0.00082 0.00074 -0.00004 -0.00004 0.00004 103 2PZ 0.00006 0.00005 -0.00001 -0.00001 0.00000 104 3S 0.01298 0.01058 -0.00659 -0.00362 -0.00160 105 3PX 0.00017 0.00011 -0.00013 0.00000 0.00005 106 3PY 0.00186 0.00140 -0.00228 -0.00168 -0.00039 107 3PZ 0.00013 0.00012 -0.00014 -0.00011 -0.00009 108 4XX -0.00627 -0.00559 0.00063 0.00037 0.00015 109 4YY -0.00581 -0.00522 0.00007 -0.00013 0.00017 110 4ZZ -0.00627 -0.00560 0.00066 0.00040 0.00019 111 4XY 0.00005 0.00004 -0.00004 -0.00002 0.00000 112 4XZ 0.00001 0.00000 0.00004 0.00005 0.00000 113 4YZ 0.00004 0.00004 -0.00005 -0.00005 -0.00002 114 12 O 1S -0.66863 0.73369 -0.00006 -0.00003 -0.00006 115 2S -0.01691 0.01875 -0.00092 0.00052 -0.00026 116 2PX -0.00007 0.00008 0.00001 -0.00002 -0.00001 117 2PY 0.00074 -0.00081 -0.00004 0.00004 0.00004 118 2PZ -0.00005 0.00006 0.00001 -0.00001 0.00000 119 3S -0.01194 0.01173 0.00656 -0.00367 0.00159 120 3PX -0.00016 0.00012 0.00013 0.00000 -0.00005 121 3PY 0.00172 -0.00156 -0.00227 0.00169 -0.00038 122 3PZ -0.00012 0.00013 0.00014 -0.00011 0.00009 123 4XX 0.00573 -0.00615 -0.00063 0.00037 -0.00015 124 4YY 0.00530 -0.00574 -0.00007 -0.00012 -0.00016 125 4ZZ 0.00573 -0.00615 -0.00066 0.00040 -0.00019 126 4XY 0.00005 -0.00004 -0.00004 0.00002 0.00000 127 4XZ -0.00001 0.00000 -0.00004 0.00005 0.00000 128 4YZ 0.00004 -0.00004 -0.00005 0.00005 -0.00002 129 13 C 1S -0.00002 -0.00003 -0.00005 0.00001 0.70611 130 2S -0.00011 -0.00010 0.00008 0.00010 0.03655 131 2PX 0.00002 0.00002 0.00014 0.00011 -0.00021 132 2PY 0.00001 -0.00002 0.00001 0.00007 0.00053 133 2PZ -0.00002 0.00000 0.00005 -0.00001 -0.00013 134 3S 0.00062 0.00059 -0.00123 -0.00124 -0.01936 135 3PX -0.00028 -0.00013 -0.00100 -0.00085 -0.00065 136 3PY 0.00011 0.00022 -0.00102 -0.00121 -0.00596 137 3PZ 0.00008 0.00001 0.00044 0.00043 0.00203 138 4XX -0.00001 -0.00003 -0.00013 -0.00004 -0.00610 139 4YY -0.00002 -0.00004 -0.00005 0.00000 -0.00612 140 4ZZ -0.00004 -0.00005 -0.00010 -0.00003 -0.00610 141 4XY -0.00001 -0.00001 0.00000 -0.00001 0.00010 142 4XZ 0.00002 0.00001 0.00002 0.00005 -0.00008 143 4YZ 0.00000 0.00001 0.00003 0.00001 0.00002 144 14 C 1S 0.00001 0.00001 -0.00006 -0.00005 0.01055 145 2S 0.00002 0.00004 -0.00020 -0.00017 0.00023 146 2PX -0.00001 0.00000 -0.00001 -0.00003 0.00003 147 2PY 0.00000 0.00001 0.00001 -0.00008 0.00009 148 2PZ 0.00000 -0.00001 0.00001 0.00004 -0.00014 149 3S -0.00018 -0.00016 0.00237 0.00131 0.00928 150 3PX 0.00008 0.00013 -0.00103 -0.00065 -0.00374 151 3PY -0.00008 -0.00006 0.00038 0.00012 0.00127 152 3PZ 0.00004 -0.00004 0.00080 0.00044 0.00289 153 4XX 0.00001 0.00000 -0.00001 0.00001 -0.00024 154 4YY 0.00001 0.00001 -0.00004 -0.00004 -0.00027 155 4ZZ 0.00002 0.00002 -0.00003 -0.00004 -0.00027 156 4XY 0.00000 0.00000 0.00001 0.00000 -0.00003 157 4XZ -0.00001 0.00000 -0.00005 -0.00005 0.00013 158 4YZ 0.00000 -0.00001 -0.00001 -0.00001 0.00008 159 15 C 1S 0.00000 0.00001 0.00006 -0.00005 -0.01043 160 2S -0.00001 0.00004 0.00019 -0.00018 -0.00023 161 2PX 0.00001 0.00000 0.00001 -0.00003 -0.00003 162 2PY -0.00001 -0.00001 0.00001 0.00008 0.00009 163 2PZ 0.00000 -0.00001 -0.00001 0.00004 0.00014 164 3S 0.00016 -0.00018 -0.00236 0.00133 -0.00924 165 3PX -0.00006 0.00014 0.00102 -0.00066 0.00372 166 3PY -0.00008 0.00007 0.00038 -0.00012 0.00127 167 3PZ -0.00004 -0.00004 -0.00080 0.00044 -0.00288 168 4XX -0.00001 0.00000 0.00001 0.00001 0.00024 169 4YY -0.00001 0.00001 0.00004 -0.00004 0.00027 170 4ZZ -0.00002 0.00002 0.00003 -0.00004 0.00027 171 4XY 0.00000 0.00000 0.00001 0.00000 -0.00002 172 4XZ 0.00001 0.00000 0.00005 -0.00005 -0.00013 173 4YZ 0.00000 0.00001 -0.00001 0.00001 0.00008 174 16 C 1S 0.00002 -0.00003 0.00005 0.00001 -0.69850 175 2S 0.00010 -0.00011 -0.00008 0.00010 -0.03617 176 2PX -0.00001 0.00003 -0.00014 0.00011 0.00021 177 2PY 0.00002 0.00001 0.00001 -0.00008 0.00053 178 2PZ 0.00002 0.00000 -0.00005 -0.00001 0.00012 179 3S -0.00057 0.00064 0.00122 -0.00124 0.01921 180 3PX 0.00026 -0.00016 0.00100 -0.00085 0.00064 181 3PY 0.00008 -0.00023 -0.00101 0.00122 -0.00593 182 3PZ -0.00008 0.00002 -0.00044 0.00043 -0.00202 183 4XX 0.00001 -0.00003 0.00013 -0.00004 0.00603 184 4YY 0.00002 -0.00004 0.00005 0.00000 0.00606 185 4ZZ 0.00003 -0.00005 0.00010 -0.00003 0.00603 186 4XY -0.00001 0.00001 0.00000 0.00001 0.00010 187 4XZ -0.00002 0.00001 -0.00002 0.00005 0.00008 188 4YZ 0.00000 -0.00001 0.00003 -0.00001 0.00002 189 17 H 1S -0.00002 0.00001 -0.00010 -0.00014 -0.00025 190 2S -0.00005 -0.00001 -0.00046 -0.00046 0.00002 191 18 H 1S 0.00000 -0.00001 0.00001 0.00000 0.00003 192 2S 0.00001 -0.00003 0.00028 0.00018 0.00088 193 19 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00004 194 2S -0.00001 -0.00003 -0.00027 0.00018 -0.00088 195 20 H 1S 0.00002 0.00001 0.00010 -0.00014 0.00025 196 2S 0.00005 -0.00002 0.00045 -0.00046 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00007 198 2S 0.00000 0.00003 0.00000 0.00001 0.00000 199 2PX 0.00000 -0.00001 0.00000 0.00011 0.00000 200 2PY 0.00001 0.00000 0.00004 0.00000 -0.00025 201 2PZ 0.00000 0.00005 0.00000 0.00005 0.00000 202 3S -0.00003 -0.00064 0.00000 0.00047 0.00004 203 3PX 0.00000 -0.00001 0.00000 0.00034 0.00001 204 3PY 0.00030 -0.00001 -0.00018 0.00000 -0.00317 205 3PZ 0.00000 0.00001 0.00000 -0.00083 -0.00001 206 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 207 4YY 0.00000 -0.00001 0.00000 -0.00004 0.00000 208 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 209 4XY -0.00002 0.00000 -0.00006 0.00000 0.00008 210 4XZ 0.00000 0.00000 0.00000 -0.00008 0.00000 211 4YZ -0.00002 0.00000 0.00004 0.00000 -0.00009 212 22 H 1S 0.00000 -0.00001 0.00000 -0.00012 0.00000 213 2S 0.00001 0.00014 0.00000 0.00062 0.00000 214 23 H 1S 0.00000 0.00003 0.00000 0.00005 0.00000 215 2S 0.00000 0.00008 0.00000 0.00023 0.00000 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 0.00016 0.70185 0.70221 -0.00013 0.00031 2 2S 0.00007 0.03487 0.03584 0.00014 -0.00015 3 2PX 0.00005 0.00019 0.00019 0.00004 -0.00011 4 2PY 0.00000 0.00011 -0.00043 -0.00002 -0.00002 5 2PZ 0.00000 -0.00002 -0.00013 0.00001 0.00005 6 3S -0.00053 -0.00760 -0.01887 -0.00053 0.00058 7 3PX -0.00008 -0.00096 -0.00354 -0.00023 0.00000 8 3PY -0.00037 -0.00069 0.00330 -0.00005 0.00068 9 3PZ 0.00001 0.00053 0.00271 0.00001 0.00001 10 4XX 0.00003 -0.00679 -0.00654 0.00005 -0.00004 11 4YY 0.00001 -0.00665 -0.00619 0.00004 0.00003 12 4ZZ 0.00005 -0.00679 -0.00658 0.00009 -0.00009 13 4XY -0.00001 -0.00004 0.00000 0.00000 0.00002 14 4XZ 0.00000 -0.00004 -0.00006 0.00001 -0.00003 15 4YZ 0.00003 0.00003 -0.00001 0.00001 -0.00004 16 2 H 1S 0.00004 -0.00029 -0.00032 0.00002 -0.00008 17 2S 0.00006 0.00125 0.00029 -0.00002 -0.00001 18 3 C 1S 0.00016 0.70185 -0.70221 -0.00013 0.00031 19 2S 0.00007 0.03487 -0.03584 0.00014 -0.00014 20 2PX 0.00005 0.00019 -0.00019 0.00004 -0.00011 21 2PY 0.00000 -0.00011 -0.00043 0.00002 0.00002 22 2PZ 0.00000 -0.00002 0.00013 0.00001 0.00005 23 3S -0.00053 -0.00760 0.01887 -0.00053 0.00058 24 3PX -0.00008 -0.00096 0.00355 -0.00023 0.00000 25 3PY 0.00036 0.00069 0.00330 0.00005 -0.00068 26 3PZ 0.00001 0.00053 -0.00271 0.00001 0.00001 27 4XX 0.00003 -0.00679 0.00654 0.00005 -0.00004 28 4YY 0.00001 -0.00665 0.00619 0.00004 0.00003 29 4ZZ 0.00005 -0.00679 0.00658 0.00009 -0.00009 30 4XY 0.00001 0.00004 0.00000 0.00000 -0.00002 31 4XZ 0.00000 -0.00004 0.00006 0.00001 -0.00003 32 4YZ -0.00003 -0.00003 -0.00001 -0.00001 0.00004 33 4 H 1S 0.00004 -0.00029 0.00032 0.00002 -0.00008 34 2S 0.00006 0.00125 -0.00029 -0.00002 -0.00001 35 5 C 1S 0.00001 -0.00169 0.00169 0.00003 -0.00160 36 2S 0.00001 -0.00034 0.00043 0.00008 -0.00047 37 2PX -0.00004 0.00016 -0.00009 -0.00004 -0.00010 38 2PY -0.00004 -0.00008 0.00009 -0.00002 -0.00005 39 2PZ 0.00000 -0.00006 0.00008 -0.00002 0.00015 40 3S 0.00024 0.00262 -0.00668 -0.00063 0.00313 41 3PX -0.00078 -0.00109 0.00172 -0.00050 0.00231 42 3PY -0.00095 0.00138 -0.00289 -0.00022 0.00277 43 3PZ 0.00027 0.00069 -0.00147 0.00028 -0.00119 44 4XX -0.00003 -0.00024 0.00027 -0.00003 -0.00021 45 4YY 0.00003 -0.00013 0.00018 -0.00006 -0.00021 46 4ZZ 0.00000 -0.00017 0.00025 0.00004 -0.00022 47 4XY 0.00000 0.00006 -0.00009 -0.00002 -0.00007 48 4XZ 0.00000 0.00011 -0.00012 -0.00002 0.00011 49 4YZ -0.00004 -0.00004 0.00005 -0.00001 0.00008 50 6 C 1S -0.00022 -0.00037 -0.00002 -0.00396 0.70225 51 2S -0.00072 -0.00016 -0.00011 -0.00044 0.03549 52 2PX 0.00000 0.00004 -0.00005 0.00003 0.00007 53 2PY -0.00005 -0.00001 -0.00003 -0.00011 0.00000 54 2PZ -0.00002 -0.00006 0.00002 -0.00018 0.00037 55 3S 0.00310 0.00018 0.00288 0.00084 -0.01128 56 3PX 0.00054 0.00006 -0.00073 -0.00047 0.00077 57 3PY -0.00047 -0.00016 0.00155 0.00020 0.00111 58 3PZ 0.00085 0.00010 0.00061 0.00084 -0.00171 59 4XX -0.00007 -0.00002 -0.00003 -0.00012 -0.00641 60 4YY -0.00021 0.00001 -0.00002 -0.00005 -0.00643 61 4ZZ -0.00017 -0.00004 -0.00005 -0.00004 -0.00632 62 4XY -0.00005 0.00002 -0.00002 0.00008 0.00001 63 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 64 4YZ -0.00004 -0.00001 -0.00001 -0.00001 0.00010 65 7 H 1S -0.00012 -0.00001 0.00004 0.00005 -0.00016 66 2S -0.00039 0.00005 0.00021 0.00050 0.00152 67 8 C 1S -0.00023 -0.00037 0.00002 -0.00396 0.70193 68 2S -0.00073 -0.00016 0.00011 -0.00044 0.03547 69 2PX 0.00000 0.00004 0.00005 0.00003 0.00007 70 2PY 0.00005 0.00001 -0.00003 0.00011 0.00000 71 2PZ -0.00002 -0.00006 -0.00002 -0.00018 0.00037 72 3S 0.00319 0.00018 -0.00288 0.00084 -0.01127 73 3PX 0.00055 0.00006 0.00073 -0.00047 0.00077 74 3PY 0.00046 0.00016 0.00155 -0.00020 -0.00112 75 3PZ 0.00088 0.00010 -0.00061 0.00084 -0.00171 76 4XX -0.00007 -0.00002 0.00003 -0.00012 -0.00640 77 4YY -0.00021 0.00001 0.00002 -0.00005 -0.00643 78 4ZZ -0.00017 -0.00004 0.00005 -0.00004 -0.00632 79 4XY 0.00005 -0.00002 -0.00002 -0.00008 -0.00001 80 4XZ 0.00017 -0.00003 0.00000 0.00001 -0.00010 81 4YZ 0.00004 0.00001 -0.00001 0.00001 -0.00010 82 9 H 1S -0.00012 -0.00001 -0.00004 0.00005 -0.00016 83 2S -0.00039 0.00005 -0.00021 0.00050 0.00152 84 10 C 1S 0.00001 -0.00169 -0.00169 0.00003 -0.00160 85 2S 0.00001 -0.00034 -0.00043 0.00008 -0.00047 86 2PX -0.00004 0.00016 0.00009 -0.00004 -0.00010 87 2PY 0.00005 0.00008 0.00009 0.00002 0.00005 88 2PZ 0.00000 -0.00006 -0.00008 -0.00002 0.00015 89 3S 0.00023 0.00262 0.00668 -0.00063 0.00312 90 3PX -0.00079 -0.00109 -0.00172 -0.00050 0.00231 91 3PY 0.00096 -0.00138 -0.00289 0.00022 -0.00276 92 3PZ 0.00028 0.00069 0.00147 0.00028 -0.00119 93 4XX -0.00004 -0.00024 -0.00027 -0.00003 -0.00021 94 4YY 0.00003 -0.00013 -0.00018 -0.00006 -0.00021 95 4ZZ 0.00000 -0.00017 -0.00025 0.00004 -0.00022 96 4XY 0.00000 -0.00006 -0.00009 0.00002 0.00007 97 4XZ 0.00000 0.00011 0.00012 -0.00002 0.00011 98 4YZ 0.00004 0.00004 0.00005 0.00001 -0.00008 99 11 O 1S 0.00006 -0.00003 -0.00001 0.00000 -0.00010 100 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 101 2PX 0.00001 -0.00001 0.00002 0.00000 -0.00001 102 2PY 0.00003 0.00000 -0.00002 0.00001 -0.00003 103 2PZ -0.00001 -0.00001 -0.00003 0.00002 -0.00001 104 3S -0.00158 0.00077 -0.00004 0.00003 0.00252 105 3PX 0.00000 0.00015 -0.00030 0.00009 -0.00015 106 3PY -0.00046 0.00019 0.00021 0.00004 0.00071 107 3PZ -0.00006 0.00002 0.00026 -0.00009 0.00023 108 4XX 0.00019 -0.00008 -0.00006 0.00000 -0.00029 109 4YY 0.00014 -0.00004 -0.00002 0.00002 -0.00016 110 4ZZ 0.00021 -0.00010 -0.00002 0.00000 -0.00033 111 4XY 0.00000 0.00001 -0.00004 0.00002 0.00000 112 4XZ 0.00000 -0.00004 0.00003 0.00000 -0.00005 113 4YZ -0.00002 0.00003 0.00003 -0.00001 0.00004 114 12 O 1S 0.00007 -0.00003 0.00001 0.00000 -0.00010 115 2S 0.00028 -0.00017 0.00000 0.00000 -0.00046 116 2PX 0.00001 -0.00001 -0.00002 0.00000 -0.00001 117 2PY -0.00003 0.00000 -0.00002 -0.00001 0.00003 118 2PZ -0.00001 -0.00001 0.00003 0.00002 -0.00001 119 3S -0.00160 0.00077 0.00004 0.00003 0.00252 120 3PX 0.00000 0.00015 0.00030 0.00009 -0.00015 121 3PY 0.00046 -0.00019 0.00021 -0.00004 -0.00071 122 3PZ -0.00006 0.00002 -0.00026 -0.00009 0.00023 123 4XX 0.00019 -0.00008 0.00006 0.00000 -0.00029 124 4YY 0.00014 -0.00004 0.00002 0.00002 -0.00016 125 4ZZ 0.00021 -0.00010 0.00002 0.00000 -0.00033 126 4XY 0.00000 -0.00001 -0.00004 -0.00002 0.00000 127 4XZ 0.00000 -0.00004 -0.00003 0.00000 -0.00005 128 4YZ 0.00002 -0.00003 0.00003 0.00001 -0.00004 129 13 C 1S 0.69826 -0.00013 0.00008 -0.00890 -0.00007 130 2S 0.03512 0.00008 -0.00003 -0.00048 -0.00060 131 2PX -0.00003 0.00000 0.00001 0.00001 0.00002 132 2PY 0.00035 0.00002 0.00002 0.00002 -0.00015 133 2PZ -0.00019 -0.00001 0.00001 -0.00005 0.00004 134 3S -0.01423 -0.00056 0.00026 0.00441 0.00247 135 3PX -0.00045 -0.00006 -0.00013 -0.00085 -0.00031 136 3PY -0.00269 -0.00037 -0.00015 0.00131 0.00063 137 3PZ 0.00071 0.00005 0.00021 0.00170 -0.00099 138 4XX -0.00629 0.00002 -0.00003 -0.00003 -0.00009 139 4YY -0.00594 0.00001 -0.00002 -0.00016 -0.00029 140 4ZZ -0.00628 0.00004 -0.00002 -0.00011 -0.00009 141 4XY 0.00005 0.00000 0.00001 0.00005 -0.00002 142 4XZ -0.00012 -0.00001 -0.00001 0.00005 0.00014 143 4YZ -0.00013 -0.00003 0.00002 -0.00014 -0.00002 144 14 C 1S 0.01078 0.00006 -0.00003 -0.00194 -0.00260 145 2S 0.00016 0.00003 -0.00002 -0.00038 -0.00016 146 2PX 0.00003 -0.00001 0.00001 0.00003 0.00012 147 2PY 0.00001 0.00000 0.00000 -0.00002 -0.00003 148 2PZ -0.00009 0.00002 0.00001 -0.00004 -0.00002 149 3S 0.00408 0.00010 0.00023 0.00051 -0.00067 150 3PX -0.00168 -0.00005 -0.00012 -0.00041 0.00033 151 3PY -0.00022 0.00000 0.00000 0.00008 0.00013 152 3PZ 0.00121 -0.00002 -0.00002 0.00039 -0.00017 153 4XX -0.00018 0.00002 0.00000 -0.00001 -0.00007 154 4YY -0.00014 0.00001 -0.00001 0.00002 -0.00005 155 4ZZ -0.00025 0.00000 -0.00001 0.00005 -0.00003 156 4XY -0.00014 -0.00001 0.00000 0.00001 0.00004 157 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 158 4YZ 0.00008 0.00000 0.00000 0.00006 -0.00006 159 15 C 1S 0.01089 0.00006 0.00003 -0.00194 -0.00260 160 2S 0.00017 0.00003 0.00002 -0.00038 -0.00016 161 2PX 0.00003 -0.00001 -0.00001 0.00003 0.00012 162 2PY -0.00001 0.00000 0.00000 0.00002 0.00003 163 2PZ -0.00009 0.00002 -0.00001 -0.00004 -0.00002 164 3S 0.00418 0.00010 -0.00023 0.00051 -0.00066 165 3PX -0.00172 -0.00005 0.00012 -0.00041 0.00033 166 3PY 0.00020 0.00000 0.00000 -0.00008 -0.00013 167 3PZ 0.00124 -0.00002 0.00002 0.00039 -0.00017 168 4XX -0.00019 0.00002 0.00000 -0.00001 -0.00007 169 4YY -0.00014 0.00001 0.00001 0.00002 -0.00005 170 4ZZ -0.00025 0.00000 0.00001 0.00005 -0.00003 171 4XY 0.00014 0.00001 0.00000 -0.00001 -0.00004 172 4XZ 0.00007 0.00001 0.00000 -0.00012 0.00004 173 4YZ -0.00008 0.00000 0.00000 -0.00006 0.00006 174 16 C 1S 0.70587 -0.00013 -0.00008 -0.00890 -0.00007 175 2S 0.03551 0.00008 0.00003 -0.00048 -0.00060 176 2PX -0.00003 0.00000 -0.00001 0.00001 0.00002 177 2PY -0.00036 -0.00002 0.00002 -0.00002 0.00015 178 2PZ -0.00019 -0.00001 -0.00001 -0.00005 0.00004 179 3S -0.01444 -0.00056 -0.00026 0.00441 0.00247 180 3PX -0.00046 -0.00006 0.00013 -0.00085 -0.00031 181 3PY 0.00276 0.00037 -0.00015 -0.00131 -0.00063 182 3PZ 0.00073 0.00005 -0.00021 0.00170 -0.00099 183 4XX -0.00635 0.00002 0.00003 -0.00003 -0.00009 184 4YY -0.00601 0.00001 0.00002 -0.00016 -0.00029 185 4ZZ -0.00635 0.00004 0.00002 -0.00011 -0.00009 186 4XY -0.00006 0.00000 0.00001 -0.00005 0.00002 187 4XZ -0.00012 -0.00001 0.00001 0.00005 0.00014 188 4YZ 0.00013 0.00003 0.00002 0.00014 0.00002 189 17 H 1S -0.00027 -0.00002 -0.00004 -0.00017 -0.00005 190 2S 0.00122 -0.00006 -0.00017 -0.00025 0.00006 191 18 H 1S -0.00010 0.00000 -0.00001 -0.00002 0.00008 192 2S 0.00034 -0.00001 0.00000 0.00032 -0.00014 193 19 H 1S -0.00010 0.00000 0.00001 -0.00002 0.00008 194 2S 0.00035 -0.00001 0.00000 0.00032 -0.00014 195 20 H 1S -0.00027 -0.00002 0.00004 -0.00017 -0.00005 196 2S 0.00122 -0.00006 0.00017 -0.00025 0.00006 197 21 C 1S 0.01238 0.00028 0.00000 0.99297 0.00541 198 2S 0.00040 0.00016 0.00000 0.05060 -0.00015 199 2PX -0.00009 -0.00007 0.00000 0.00019 0.00014 200 2PY 0.00000 0.00000 -0.00005 0.00000 0.00000 201 2PZ -0.00005 0.00009 0.00000 -0.00027 0.00032 202 3S 0.00736 -0.00120 0.00000 -0.02055 0.00030 203 3PX 0.00134 0.00110 0.00000 -0.00089 -0.00120 204 3PY 0.00002 0.00000 0.00038 0.00000 0.00000 205 3PZ -0.00229 -0.00095 0.00000 0.00195 -0.00087 206 4XX -0.00020 0.00002 0.00000 -0.00875 -0.00020 207 4YY -0.00055 0.00012 0.00000 -0.00899 -0.00019 208 4ZZ -0.00027 0.00012 0.00000 -0.00889 -0.00020 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00015 -0.00003 0.00000 0.00000 0.00005 211 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 212 22 H 1S -0.00020 -0.00024 0.00000 -0.00004 -0.00012 213 2S 0.00029 0.00229 0.00000 0.00297 -0.00058 214 23 H 1S -0.00035 0.00007 0.00000 0.00011 0.00007 215 2S 0.00019 0.00017 0.00000 0.00270 0.00094 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 0.00005 -0.00004 0.00001 -0.01932 -0.01206 2 2S 0.00020 0.00005 -0.00008 0.03820 0.02277 3 2PX -0.00005 0.00000 0.00001 0.01373 0.01001 4 2PY -0.00005 -0.00005 0.00001 0.00872 0.01945 5 2PZ 0.00005 0.00001 0.00000 -0.01172 -0.00861 6 3S -0.00591 -0.00018 0.00156 0.01512 -0.03092 7 3PX -0.00182 -0.00021 0.00044 -0.00875 -0.00878 8 3PY 0.00389 0.00022 -0.00127 0.01374 0.02907 9 3PZ 0.00106 0.00015 -0.00031 0.00592 0.00429 10 4XX 0.00002 0.00001 0.00000 0.00075 0.00093 11 4YY 0.00000 0.00002 0.00001 0.00246 0.00160 12 4ZZ 0.00004 0.00001 -0.00001 0.00004 0.00032 13 4XY -0.00001 0.00000 0.00000 0.00243 0.00305 14 4XZ 0.00002 0.00001 -0.00001 -0.00231 -0.00232 15 4YZ -0.00003 0.00001 0.00001 -0.00213 -0.00254 16 2 H 1S -0.00015 -0.00003 0.00005 0.00624 0.00524 17 2S -0.00083 -0.00009 0.00027 -0.00678 -0.00367 18 3 C 1S -0.00005 -0.00004 -0.00001 -0.01932 0.01206 19 2S -0.00020 0.00005 0.00008 0.03820 -0.02277 20 2PX 0.00005 0.00000 -0.00001 0.01373 -0.01001 21 2PY -0.00005 0.00005 0.00001 -0.00873 0.01945 22 2PZ -0.00005 0.00001 0.00000 -0.01172 0.00861 23 3S 0.00591 -0.00018 -0.00156 0.01512 0.03092 24 3PX 0.00182 -0.00021 -0.00044 -0.00875 0.00878 25 3PY 0.00389 -0.00022 -0.00127 -0.01374 0.02907 26 3PZ -0.00106 0.00015 0.00031 0.00592 -0.00429 27 4XX -0.00002 0.00001 0.00000 0.00075 -0.00093 28 4YY 0.00000 0.00002 -0.00001 0.00246 -0.00160 29 4ZZ -0.00004 0.00001 0.00001 0.00004 -0.00032 30 4XY -0.00001 0.00000 0.00000 -0.00243 0.00305 31 4XZ -0.00002 0.00001 0.00001 -0.00231 0.00232 32 4YZ -0.00003 -0.00001 0.00001 0.00213 -0.00254 33 4 H 1S 0.00015 -0.00003 -0.00005 0.00624 -0.00524 34 2S 0.00083 -0.00009 -0.00027 -0.00678 0.00367 35 5 C 1S 0.00163 -0.00002 -0.00002 -0.08685 0.08497 36 2S 0.00067 -0.00017 -0.00025 0.16771 -0.16222 37 2PX -0.00001 0.00004 0.00002 -0.01154 0.01158 38 2PY 0.00003 -0.00001 0.00001 -0.11744 0.12522 39 2PZ -0.00009 0.00000 -0.00002 -0.00756 0.00792 40 3S -0.00897 0.00123 0.00331 0.05848 -0.05171 41 3PX -0.00380 0.00038 0.00143 0.00503 -0.00442 42 3PY -0.00607 0.00091 0.00133 0.04310 -0.05924 43 3PZ 0.00155 -0.00040 -0.00089 0.00212 -0.00405 44 4XX 0.00017 -0.00002 -0.00001 -0.01293 0.01339 45 4YY 0.00015 -0.00001 0.00003 0.01478 -0.01344 46 4ZZ 0.00025 -0.00002 -0.00005 -0.01346 0.01381 47 4XY 0.00004 0.00003 0.00005 0.00286 -0.00285 48 4XZ -0.00010 -0.00005 -0.00006 -0.00051 0.00024 49 4YZ -0.00011 -0.00002 -0.00002 0.00230 -0.00222 50 6 C 1S -0.70234 0.00253 0.00024 -0.01775 0.01153 51 2S -0.03685 0.00006 0.00010 0.03550 -0.02225 52 2PX -0.00004 -0.00021 -0.00021 -0.01536 0.01148 53 2PY -0.00025 -0.00004 -0.00001 -0.00872 0.01797 54 2PZ -0.00044 -0.00003 0.00004 0.00835 -0.00632 55 3S 0.02878 -0.00060 -0.00154 0.00706 0.02948 56 3PX -0.00366 0.00113 0.00302 0.00694 -0.00414 57 3PY 0.00485 0.00036 0.00113 -0.01020 0.02638 58 3PZ 0.00556 -0.00027 -0.00172 -0.00724 0.00841 59 4XX 0.00618 -0.00012 -0.00007 0.00121 -0.00160 60 4YY 0.00575 -0.00009 -0.00002 0.00242 -0.00133 61 4ZZ 0.00597 -0.00015 -0.00002 0.00000 0.00002 62 4XY 0.00001 -0.00007 0.00001 0.00317 -0.00351 63 4XZ 0.00003 0.00006 0.00005 -0.00197 0.00195 64 4YZ 0.00004 0.00005 0.00007 -0.00133 0.00182 65 7 H 1S 0.00003 -0.00015 -0.00031 0.00614 -0.00517 66 2S -0.00039 0.00001 -0.00031 -0.00390 0.00278 67 8 C 1S 0.70265 0.00253 -0.00024 -0.01775 -0.01153 68 2S 0.03686 0.00006 -0.00010 0.03550 0.02225 69 2PX 0.00004 -0.00021 0.00021 -0.01536 -0.01148 70 2PY -0.00025 0.00004 -0.00001 0.00872 0.01797 71 2PZ 0.00044 -0.00003 -0.00004 0.00835 0.00632 72 3S -0.02878 -0.00060 0.00154 0.00706 -0.02948 73 3PX 0.00366 0.00113 -0.00302 0.00694 0.00414 74 3PY 0.00484 -0.00036 0.00113 0.01020 0.02638 75 3PZ -0.00556 -0.00027 0.00172 -0.00724 -0.00841 76 4XX -0.00619 -0.00012 0.00007 0.00121 0.00160 77 4YY -0.00575 -0.00009 0.00002 0.00242 0.00133 78 4ZZ -0.00597 -0.00015 0.00002 0.00000 -0.00002 79 4XY 0.00001 0.00007 0.00001 -0.00317 -0.00351 80 4XZ -0.00003 0.00006 -0.00005 -0.00197 -0.00195 81 4YZ 0.00004 -0.00005 0.00007 0.00133 0.00182 82 9 H 1S -0.00003 -0.00015 0.00031 0.00614 0.00517 83 2S 0.00039 0.00001 0.00031 -0.00390 -0.00278 84 10 C 1S -0.00163 -0.00002 0.00002 -0.08684 -0.08497 85 2S -0.00067 -0.00017 0.00025 0.16771 0.16223 86 2PX 0.00001 0.00004 -0.00002 -0.01154 -0.01158 87 2PY 0.00003 0.00001 0.00001 0.11743 0.12522 88 2PZ 0.00009 0.00000 0.00002 -0.00756 -0.00792 89 3S 0.00898 0.00123 -0.00331 0.05848 0.05171 90 3PX 0.00380 0.00038 -0.00143 0.00503 0.00442 91 3PY -0.00608 -0.00091 0.00133 -0.04310 -0.05924 92 3PZ -0.00155 -0.00040 0.00089 0.00212 0.00405 93 4XX -0.00017 -0.00002 0.00001 -0.01293 -0.01339 94 4YY -0.00015 -0.00001 -0.00003 0.01478 0.01344 95 4ZZ -0.00025 -0.00002 0.00005 -0.01346 -0.01381 96 4XY 0.00004 -0.00003 0.00005 -0.00286 -0.00285 97 4XZ 0.00010 -0.00005 0.00006 -0.00051 -0.00024 98 4YZ -0.00011 0.00002 -0.00002 -0.00230 -0.00222 99 11 O 1S 0.00008 -0.00002 -0.00001 -0.13489 0.13756 100 2S 0.00036 -0.00007 -0.00003 0.29005 -0.29283 101 2PX -0.00004 0.00000 0.00001 0.00985 -0.00996 102 2PY 0.00001 0.00000 0.00000 0.11108 -0.11239 103 2PZ 0.00001 -0.00002 -0.00001 0.00815 -0.00823 104 3S -0.00256 0.00049 0.00018 0.29525 -0.31632 105 3PX 0.00050 -0.00002 -0.00016 0.00383 -0.00480 106 3PY -0.00038 0.00007 -0.00008 0.04462 -0.04959 107 3PZ -0.00033 0.00011 0.00013 0.00354 -0.00388 108 4XX 0.00019 -0.00005 -0.00001 -0.00773 0.00903 109 4YY 0.00018 -0.00005 -0.00005 0.00643 -0.00597 110 4ZZ 0.00021 -0.00004 -0.00002 -0.00669 0.00794 111 4XY 0.00006 0.00000 -0.00002 0.00128 -0.00144 112 4XZ 0.00003 0.00000 -0.00001 0.00175 -0.00189 113 4YZ -0.00006 0.00001 0.00002 0.00099 -0.00104 114 12 O 1S -0.00008 -0.00002 0.00001 -0.13488 -0.13757 115 2S -0.00037 -0.00007 0.00003 0.29004 0.29283 116 2PX 0.00004 0.00000 -0.00001 0.00984 0.00995 117 2PY 0.00001 0.00000 0.00000 -0.11108 -0.11240 118 2PZ -0.00001 -0.00002 0.00001 0.00815 0.00823 119 3S 0.00257 0.00049 -0.00018 0.29524 0.31633 120 3PX -0.00050 -0.00002 0.00016 0.00383 0.00480 121 3PY -0.00038 -0.00007 -0.00008 -0.04462 -0.04959 122 3PZ 0.00033 0.00011 -0.00013 0.00354 0.00388 123 4XX -0.00019 -0.00005 0.00001 -0.00773 -0.00903 124 4YY -0.00018 -0.00005 0.00005 0.00643 0.00597 125 4ZZ -0.00021 -0.00004 0.00002 -0.00669 -0.00794 126 4XY 0.00006 0.00000 -0.00002 -0.00128 -0.00144 127 4XZ -0.00003 0.00000 0.00001 0.00175 0.00189 128 4YZ -0.00006 -0.00001 0.00002 -0.00099 -0.00104 129 13 C 1S 0.00016 -0.01105 -0.01072 -0.00251 0.00132 130 2S 0.00125 -0.00064 -0.00065 0.00349 -0.00167 131 2PX 0.00001 -0.00017 -0.00008 -0.00103 0.00103 132 2PY 0.00016 -0.00002 -0.00010 0.00029 0.00042 133 2PZ 0.00007 0.00004 -0.00002 -0.00046 0.00035 134 3S -0.00659 0.00197 0.00549 0.00685 -0.00122 135 3PX 0.00071 0.00090 0.00163 -0.00279 0.00389 136 3PY -0.00298 0.00001 0.00172 0.00600 -0.00151 137 3PZ 0.00133 -0.00065 -0.00084 -0.00012 -0.00089 138 4XX 0.00009 -0.00002 -0.00010 -0.00007 -0.00001 139 4YY 0.00022 0.00010 -0.00006 -0.00005 0.00008 140 4ZZ 0.00023 0.00003 -0.00003 -0.00041 0.00013 141 4XY 0.00010 -0.00003 -0.00004 -0.00007 0.00006 142 4XZ -0.00015 0.00008 0.00014 0.00000 -0.00020 143 4YZ 0.00009 -0.00003 0.00007 0.00009 -0.00003 144 14 C 1S 0.00023 0.70180 0.70216 -0.00095 0.00032 145 2S -0.00002 0.03492 0.03574 0.00239 0.00006 146 2PX -0.00008 -0.00029 -0.00032 -0.00110 0.00029 147 2PY 0.00000 -0.00007 0.00031 0.00045 0.00030 148 2PZ 0.00005 0.00003 0.00009 0.00033 0.00003 149 3S 0.00332 -0.00727 -0.01874 -0.00026 -0.00536 150 3PX -0.00160 0.00112 0.00331 0.00189 0.00202 151 3PY 0.00090 0.00031 -0.00431 -0.00156 -0.00165 152 3PZ 0.00088 -0.00054 -0.00207 -0.00041 -0.00247 153 4XX 0.00004 -0.00666 -0.00640 0.00000 0.00004 154 4YY 0.00005 -0.00675 -0.00613 0.00016 -0.00007 155 4ZZ -0.00001 -0.00665 -0.00638 0.00014 0.00006 156 4XY 0.00000 -0.00007 0.00002 0.00005 -0.00006 157 4XZ -0.00001 -0.00011 -0.00015 -0.00008 0.00012 158 4YZ 0.00005 0.00005 0.00006 -0.00007 0.00004 159 15 C 1S -0.00024 0.70184 -0.70212 -0.00095 -0.00032 160 2S 0.00002 0.03492 -0.03573 0.00239 -0.00006 161 2PX 0.00008 -0.00029 0.00032 -0.00110 -0.00029 162 2PY 0.00000 0.00007 0.00031 -0.00045 0.00030 163 2PZ -0.00005 0.00003 -0.00009 0.00033 -0.00003 164 3S -0.00332 -0.00727 0.01874 -0.00026 0.00536 165 3PX 0.00160 0.00112 -0.00331 0.00189 -0.00202 166 3PY 0.00090 -0.00031 -0.00431 0.00156 -0.00165 167 3PZ -0.00088 -0.00054 0.00207 -0.00041 0.00247 168 4XX -0.00004 -0.00666 0.00640 0.00000 -0.00004 169 4YY -0.00005 -0.00675 0.00613 0.00016 0.00007 170 4ZZ 0.00001 -0.00665 0.00637 0.00014 -0.00006 171 4XY 0.00000 0.00007 0.00002 -0.00005 -0.00006 172 4XZ 0.00001 -0.00011 0.00015 -0.00008 -0.00012 173 4YZ 0.00005 -0.00005 0.00006 0.00007 0.00004 174 16 C 1S -0.00016 -0.01105 0.01072 -0.00251 -0.00132 175 2S -0.00125 -0.00064 0.00065 0.00349 0.00167 176 2PX -0.00001 -0.00017 0.00008 -0.00103 -0.00103 177 2PY 0.00016 0.00002 -0.00010 -0.00029 0.00042 178 2PZ -0.00007 0.00004 0.00002 -0.00046 -0.00035 179 3S 0.00659 0.00197 -0.00549 0.00685 0.00122 180 3PX -0.00071 0.00090 -0.00163 -0.00279 -0.00389 181 3PY -0.00298 -0.00001 0.00172 -0.00600 -0.00151 182 3PZ -0.00133 -0.00065 0.00084 -0.00012 0.00089 183 4XX -0.00009 -0.00002 0.00010 -0.00007 0.00001 184 4YY -0.00022 0.00010 0.00006 -0.00005 -0.00008 185 4ZZ -0.00023 0.00003 0.00003 -0.00041 -0.00013 186 4XY 0.00010 0.00003 -0.00004 0.00007 0.00006 187 4XZ 0.00015 0.00008 -0.00014 0.00000 0.00020 188 4YZ 0.00009 0.00003 0.00007 -0.00009 -0.00003 189 17 H 1S 0.00007 -0.00007 0.00001 0.00130 -0.00063 190 2S -0.00056 -0.00001 0.00019 0.00490 -0.00388 191 18 H 1S 0.00001 -0.00038 -0.00033 0.00012 -0.00017 192 2S 0.00052 0.00114 0.00034 -0.00080 -0.00121 193 19 H 1S -0.00001 -0.00038 0.00033 0.00012 0.00017 194 2S -0.00052 0.00114 -0.00034 -0.00080 0.00121 195 20 H 1S -0.00007 -0.00007 -0.00001 0.00130 0.00063 196 2S 0.00056 -0.00001 -0.00019 0.00490 0.00388 197 21 C 1S 0.00000 0.00248 0.00000 -0.00183 0.00000 198 2S 0.00000 -0.00019 0.00000 0.00443 0.00000 199 2PX 0.00000 -0.00010 0.00000 -0.00112 0.00000 200 2PY -0.00030 0.00000 0.00014 0.00000 0.00120 201 2PZ 0.00000 -0.00004 0.00000 -0.00136 0.00000 202 3S 0.00000 0.00078 0.00000 -0.00714 0.00000 203 3PX 0.00000 0.00109 0.00000 0.00113 0.00000 204 3PY -0.00107 0.00000 0.00027 0.00000 -0.00372 205 3PZ 0.00000 -0.00047 0.00000 0.00392 0.00000 206 4XX 0.00000 0.00001 0.00000 0.00025 0.00000 207 4YY 0.00000 -0.00003 0.00000 0.00005 0.00000 208 4ZZ 0.00000 0.00007 0.00000 0.00012 0.00000 209 4XY -0.00002 0.00000 0.00002 0.00000 0.00004 210 4XZ 0.00000 -0.00010 0.00000 0.00018 0.00000 211 4YZ 0.00007 0.00000 0.00003 0.00000 0.00010 212 22 H 1S 0.00000 0.00002 0.00000 0.00238 0.00000 213 2S 0.00000 0.00071 0.00000 -0.00008 0.00000 214 23 H 1S 0.00000 -0.00019 0.00000 0.00048 0.00000 215 2S 0.00000 -0.00010 0.00000 -0.00089 0.00000 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 -0.01279 -0.11207 0.10251 -0.00041 -0.01307 2 2S 0.02328 0.21580 -0.20135 -0.00062 0.02471 3 2PX 0.00634 0.02979 0.01540 -0.00026 0.01137 4 2PY -0.00778 -0.06609 0.06480 0.00008 0.01525 5 2PZ -0.00377 -0.02218 -0.01014 0.00382 -0.00751 6 3S 0.01687 0.14606 -0.15920 0.00353 0.04011 7 3PX 0.00273 0.00295 0.00602 0.00239 0.00694 8 3PY -0.00172 -0.00509 -0.00086 -0.00106 -0.00995 9 3PZ -0.00054 -0.00075 -0.00475 0.00144 -0.00261 10 4XX -0.00025 -0.00388 0.00589 0.00003 0.00105 11 4YY 0.00002 0.00380 -0.00577 -0.00019 -0.00165 12 4ZZ -0.00109 -0.00740 0.00746 -0.00048 -0.00030 13 4XY -0.00024 -0.00156 0.00157 -0.00010 0.00071 14 4XZ -0.00089 -0.00661 0.00331 0.00041 -0.00185 15 4YZ 0.00015 0.00110 -0.00104 -0.00008 -0.00040 16 2 H 1S 0.00391 0.04498 -0.05912 0.00091 0.00778 17 2S 0.00040 0.00254 -0.00826 0.00047 0.00369 18 3 C 1S -0.01279 -0.11207 0.10251 -0.00041 0.01307 19 2S 0.02328 0.21580 -0.20135 -0.00062 -0.02471 20 2PX 0.00634 0.02979 0.01540 -0.00025 -0.01137 21 2PY 0.00778 0.06609 -0.06480 -0.00008 0.01525 22 2PZ -0.00377 -0.02218 -0.01014 0.00382 0.00751 23 3S 0.01687 0.14606 -0.15920 0.00353 -0.04011 24 3PX 0.00273 0.00295 0.00602 0.00239 -0.00694 25 3PY 0.00172 0.00509 0.00086 0.00106 -0.00995 26 3PZ -0.00054 -0.00075 -0.00475 0.00144 0.00261 27 4XX -0.00025 -0.00388 0.00589 0.00003 -0.00105 28 4YY 0.00002 0.00380 -0.00577 -0.00019 0.00165 29 4ZZ -0.00109 -0.00740 0.00746 -0.00048 0.00030 30 4XY 0.00024 0.00156 -0.00157 0.00010 0.00071 31 4XZ -0.00089 -0.00661 0.00331 0.00041 0.00185 32 4YZ -0.00015 -0.00110 0.00104 0.00008 -0.00040 33 4 H 1S 0.00391 0.04498 -0.05912 0.00091 -0.00778 34 2S 0.00040 0.00254 -0.00826 0.00047 -0.00369 35 5 C 1S -0.00832 -0.04874 -0.00986 0.00378 0.02565 36 2S 0.01648 0.09553 0.02111 -0.00810 -0.05471 37 2PX 0.01122 -0.00288 0.08833 -0.00283 -0.02489 38 2PY 0.03066 0.12629 0.01724 -0.00755 -0.04647 39 2PZ -0.00077 0.01459 -0.06085 0.00891 0.00392 40 3S 0.00867 0.06341 0.01072 -0.00495 -0.03483 41 3PX 0.00113 0.00063 0.00503 -0.00040 -0.00002 42 3PY 0.00281 0.03399 -0.00137 -0.00718 0.00458 43 3PZ 0.00092 0.00336 -0.00464 0.00362 -0.00047 44 4XX 0.00190 0.00391 0.00065 -0.00005 -0.00254 45 4YY -0.00168 -0.00573 -0.00104 0.00016 0.00433 46 4ZZ 0.00039 0.00014 -0.00055 0.00005 -0.00014 47 4XY 0.00059 -0.00211 0.00807 -0.00032 -0.00034 48 4XZ -0.00132 -0.00711 -0.00061 0.00110 0.00255 49 4YZ -0.00040 0.00064 -0.00586 0.00067 0.00058 50 6 C 1S -0.03485 -0.07666 -0.11864 0.01720 0.03680 51 2S 0.06605 0.14438 0.22871 -0.03513 -0.06799 52 2PX 0.00549 -0.03796 -0.01049 0.00265 0.00353 53 2PY 0.01720 0.03926 0.06057 -0.00890 0.04137 54 2PZ 0.01064 0.01635 -0.00876 0.01423 -0.01173 55 3S 0.04477 0.10420 0.19340 -0.02393 -0.09438 56 3PX -0.00040 -0.00345 -0.00067 -0.00160 -0.00005 57 3PY 0.00220 0.00448 0.00283 -0.00036 -0.00337 58 3PZ 0.00258 0.00449 0.00064 0.00733 -0.01120 59 4XX -0.00089 -0.00302 -0.00777 -0.00004 -0.00058 60 4YY 0.00070 0.00153 0.00518 -0.00120 0.00436 61 4ZZ -0.00115 -0.00429 -0.00587 0.00182 0.00015 62 4XY 0.00011 -0.00065 -0.00029 0.00033 -0.00009 63 4XZ -0.00065 -0.00518 -0.00451 0.00170 0.00201 64 4YZ 0.00088 0.00113 0.00212 -0.00018 0.00008 65 7 H 1S 0.01611 0.02868 0.06521 -0.01500 -0.02998 66 2S 0.00142 0.00183 0.01038 -0.00336 -0.00995 67 8 C 1S -0.03485 -0.07666 -0.11864 0.01720 -0.03679 68 2S 0.06605 0.14438 0.22871 -0.03513 0.06799 69 2PX 0.00549 -0.03796 -0.01049 0.00265 -0.00353 70 2PY -0.01720 -0.03926 -0.06057 0.00889 0.04137 71 2PZ 0.01064 0.01635 -0.00876 0.01422 0.01173 72 3S 0.04477 0.10420 0.19340 -0.02394 0.09438 73 3PX -0.00040 -0.00345 -0.00067 -0.00160 0.00005 74 3PY -0.00220 -0.00448 -0.00283 0.00036 -0.00337 75 3PZ 0.00258 0.00450 0.00064 0.00733 0.01120 76 4XX -0.00089 -0.00302 -0.00777 -0.00004 0.00058 77 4YY 0.00070 0.00153 0.00518 -0.00120 -0.00436 78 4ZZ -0.00115 -0.00429 -0.00587 0.00182 -0.00015 79 4XY -0.00011 0.00065 0.00029 -0.00033 -0.00009 80 4XZ -0.00065 -0.00518 -0.00451 0.00170 -0.00200 81 4YZ -0.00088 -0.00113 -0.00212 0.00018 0.00008 82 9 H 1S 0.01611 0.02868 0.06521 -0.01500 0.02998 83 2S 0.00142 0.00183 0.01038 -0.00336 0.00995 84 10 C 1S -0.00832 -0.04874 -0.00986 0.00378 -0.02565 85 2S 0.01648 0.09553 0.02111 -0.00810 0.05471 86 2PX 0.01122 -0.00288 0.08833 -0.00283 0.02489 87 2PY -0.03067 -0.12629 -0.01725 0.00755 -0.04647 88 2PZ -0.00077 0.01459 -0.06085 0.00891 -0.00392 89 3S 0.00867 0.06341 0.01072 -0.00495 0.03482 90 3PX 0.00113 0.00063 0.00503 -0.00040 0.00002 91 3PY -0.00281 -0.03399 0.00137 0.00718 0.00459 92 3PZ 0.00092 0.00336 -0.00464 0.00362 0.00047 93 4XX 0.00190 0.00391 0.00065 -0.00005 0.00254 94 4YY -0.00168 -0.00573 -0.00104 0.00016 -0.00433 95 4ZZ 0.00039 0.00014 -0.00055 0.00005 0.00014 96 4XY -0.00059 0.00211 -0.00807 0.00032 -0.00034 97 4XZ -0.00132 -0.00711 -0.00061 0.00110 -0.00255 98 4YZ 0.00040 -0.00064 0.00586 -0.00067 0.00058 99 11 O 1S 0.01357 0.04501 0.00592 -0.00184 -0.02034 100 2S -0.03045 -0.10328 -0.01268 0.00520 0.04487 101 2PX 0.00111 -0.00396 0.01933 -0.00021 -0.00704 102 2PY -0.00665 -0.01298 -0.00057 -0.00072 -0.00332 103 2PZ -0.00085 0.00022 -0.01394 0.00286 0.00152 104 3S -0.02910 -0.09012 -0.01735 -0.00029 0.06053 105 3PX 0.00067 -0.00067 0.00790 -0.00015 -0.00443 106 3PY -0.00133 0.00266 -0.00016 -0.00211 -0.00137 107 3PZ -0.00045 0.00009 -0.00572 0.00065 0.00074 108 4XX 0.00042 0.00016 0.00071 0.00040 -0.00108 109 4YY -0.00011 0.00071 0.00045 0.00007 -0.00180 110 4ZZ 0.00021 0.00000 0.00011 0.00041 -0.00047 111 4XY 0.00022 -0.00027 0.00244 -0.00005 -0.00101 112 4XZ -0.00009 -0.00044 -0.00006 0.00012 0.00025 113 4YZ -0.00009 0.00015 -0.00173 0.00025 0.00007 114 12 O 1S 0.01357 0.04501 0.00592 -0.00184 0.02034 115 2S -0.03045 -0.10328 -0.01268 0.00520 -0.04487 116 2PX 0.00111 -0.00396 0.01933 -0.00021 0.00704 117 2PY 0.00665 0.01298 0.00057 0.00072 -0.00332 118 2PZ -0.00085 0.00022 -0.01394 0.00286 -0.00152 119 3S -0.02910 -0.09012 -0.01735 -0.00028 -0.06053 120 3PX 0.00067 -0.00067 0.00790 -0.00015 0.00443 121 3PY 0.00133 -0.00266 0.00016 0.00211 -0.00137 122 3PZ -0.00045 0.00009 -0.00572 0.00065 -0.00074 123 4XX 0.00042 0.00016 0.00071 0.00040 0.00108 124 4YY -0.00011 0.00071 0.00045 0.00007 0.00180 125 4ZZ 0.00021 0.00000 0.00011 0.00041 0.00047 126 4XY -0.00022 0.00027 -0.00244 0.00005 -0.00101 127 4XZ -0.00009 -0.00044 -0.00006 0.00012 -0.00025 128 4YZ 0.00009 -0.00015 0.00173 -0.00025 0.00007 129 13 C 1S -0.09531 0.02030 0.00690 -0.03064 0.12312 130 2S 0.17690 -0.03849 -0.01436 0.06069 -0.24187 131 2PX 0.03116 -0.02120 -0.02693 -0.07236 -0.04415 132 2PY 0.06963 -0.01620 -0.00973 0.03146 0.01484 133 2PZ -0.00729 0.00024 -0.00339 0.09748 0.02327 134 3S 0.13474 -0.02581 -0.00442 0.04721 -0.22803 135 3PX 0.00284 -0.00080 -0.00538 -0.01254 -0.00825 136 3PY 0.02163 -0.00208 0.00048 -0.00126 -0.00022 137 3PZ -0.00420 0.00012 -0.00133 0.01852 0.00490 138 4XX -0.00450 0.00134 0.00020 -0.00675 0.00377 139 4YY 0.00519 -0.00118 -0.00074 0.00635 0.00170 140 4ZZ -0.00487 0.00120 0.00069 -0.00037 0.00534 141 4XY 0.00334 -0.00177 -0.00199 -0.00595 -0.00357 142 4XZ -0.00600 0.00218 0.00243 0.00190 0.00640 143 4YZ 0.00024 -0.00004 -0.00021 0.00957 0.00246 144 14 C 1S -0.09695 0.03127 0.02817 0.10493 0.07600 145 2S 0.18461 -0.05968 -0.05500 -0.20747 -0.15289 146 2PX -0.05242 0.01046 -0.00041 -0.01886 0.05473 147 2PY 0.04736 -0.01636 -0.01730 -0.06508 0.08723 148 2PZ 0.03923 -0.01165 -0.00833 0.03088 -0.03780 149 3S 0.10644 -0.04111 -0.04043 -0.16694 -0.09650 150 3PX -0.00060 0.00140 -0.00036 -0.00738 -0.00738 151 3PY 0.00231 -0.00169 -0.00306 -0.00476 0.02850 152 3PZ -0.00033 -0.00185 -0.00257 0.01179 0.00923 153 4XX -0.00212 0.00146 0.00220 0.00659 -0.00253 154 4YY 0.00263 -0.00103 -0.00133 -0.00618 0.00875 155 4ZZ -0.00454 0.00152 0.00135 0.00816 0.00035 156 4XY -0.00220 0.00065 0.00058 0.00242 -0.00304 157 4XZ -0.00828 0.00261 0.00218 0.00255 0.00863 158 4YZ 0.00215 -0.00074 -0.00086 -0.00205 0.00137 159 15 C 1S -0.09695 0.03127 0.02817 0.10494 -0.07599 160 2S 0.18461 -0.05968 -0.05500 -0.20747 0.15288 161 2PX -0.05242 0.01046 -0.00041 -0.01886 -0.05474 162 2PY -0.04736 0.01636 0.01730 0.06508 0.08723 163 2PZ 0.03923 -0.01165 -0.00833 0.03088 0.03780 164 3S 0.10644 -0.04110 -0.04043 -0.16695 0.09649 165 3PX -0.00060 0.00140 -0.00036 -0.00738 0.00738 166 3PY -0.00231 0.00169 0.00306 0.00476 0.02850 167 3PZ -0.00033 -0.00185 -0.00257 0.01179 -0.00923 168 4XX -0.00212 0.00146 0.00220 0.00659 0.00253 169 4YY 0.00263 -0.00103 -0.00133 -0.00618 -0.00875 170 4ZZ -0.00454 0.00152 0.00135 0.00816 -0.00035 171 4XY 0.00220 -0.00065 -0.00058 -0.00242 -0.00304 172 4XZ -0.00828 0.00261 0.00218 0.00255 -0.00863 173 4YZ -0.00215 0.00074 0.00086 0.00205 0.00137 174 16 C 1S -0.09531 0.02030 0.00690 -0.03064 -0.12312 175 2S 0.17691 -0.03849 -0.01436 0.06068 0.24187 176 2PX 0.03116 -0.02120 -0.02693 -0.07236 0.04414 177 2PY -0.06963 0.01620 0.00973 -0.03146 0.01484 178 2PZ -0.00729 0.00024 -0.00339 0.09749 -0.02326 179 3S 0.13474 -0.02581 -0.00442 0.04720 0.22803 180 3PX 0.00284 -0.00080 -0.00538 -0.01254 0.00824 181 3PY -0.02163 0.00208 -0.00048 0.00126 -0.00021 182 3PZ -0.00420 0.00012 -0.00133 0.01852 -0.00490 183 4XX -0.00450 0.00134 0.00020 -0.00675 -0.00377 184 4YY 0.00519 -0.00118 -0.00074 0.00635 -0.00170 185 4ZZ -0.00487 0.00120 0.00069 -0.00037 -0.00534 186 4XY -0.00334 0.00177 0.00199 0.00595 -0.00357 187 4XZ -0.00600 0.00218 0.00243 0.00190 -0.00640 188 4YZ -0.00024 0.00004 0.00021 -0.00957 0.00246 189 17 H 1S 0.03219 -0.00597 0.00023 0.02264 -0.08592 190 2S 0.00458 -0.00077 0.00046 0.00324 -0.02110 191 18 H 1S 0.03121 -0.01192 -0.01375 -0.06924 -0.05144 192 2S -0.00141 -0.00104 -0.00297 -0.01568 -0.00601 193 19 H 1S 0.03121 -0.01192 -0.01375 -0.06925 0.05144 194 2S -0.00141 -0.00104 -0.00297 -0.01568 0.00601 195 20 H 1S 0.03219 -0.00597 0.00023 0.02264 0.08592 196 2S 0.00458 -0.00077 0.00046 0.00324 0.02110 197 21 C 1S -0.09365 0.01689 0.00682 -0.14600 0.00000 198 2S 0.17451 -0.03166 -0.01186 0.28453 0.00001 199 2PX 0.03568 -0.01925 -0.01556 -0.00471 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.10631 201 2PZ -0.05666 0.00869 -0.00175 0.01103 0.00000 202 3S 0.11671 -0.02176 -0.01581 0.27016 0.00000 203 3PX 0.00746 -0.00813 -0.00691 -0.00603 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.01977 205 3PZ -0.00060 0.00362 -0.00015 0.00503 0.00000 206 4XX -0.00089 0.00050 -0.00029 0.00114 0.00000 207 4YY -0.00160 0.00007 0.00030 -0.00447 0.00000 208 4ZZ 0.00231 -0.00059 0.00024 -0.00172 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00599 210 4XZ -0.00507 0.00211 0.00145 0.00161 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01088 212 22 H 1S 0.03725 0.00209 -0.00073 0.10141 0.00000 213 2S 0.00124 -0.00259 -0.00133 0.02187 0.00000 214 23 H 1S 0.04338 -0.01105 -0.00766 0.09909 0.00000 215 2S -0.00133 -0.00167 -0.00003 0.02490 0.00000 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 0.07215 -0.08288 0.03723 -0.01421 -0.00233 2 2S -0.14399 0.16862 -0.07678 0.02804 0.00361 3 2PX -0.04127 -0.00364 0.13675 -0.06855 -0.00207 4 2PY -0.09231 0.11860 0.08668 -0.04613 0.00358 5 2PZ 0.03119 0.00044 -0.10026 0.05287 0.00495 6 3S -0.14416 0.15917 -0.06971 0.02967 0.01728 7 3PX -0.00454 -0.00217 0.04400 -0.02110 0.00428 8 3PY -0.00773 0.05715 0.01628 -0.00852 -0.00469 9 3PZ 0.00204 0.00102 -0.03205 0.01786 -0.00058 10 4XX -0.00315 0.00021 0.00465 -0.00236 0.00010 11 4YY 0.00720 -0.00517 -0.00465 0.00189 -0.00007 12 4ZZ 0.00116 -0.00278 0.00384 -0.00167 -0.00052 13 4XY -0.00227 -0.00187 0.00313 -0.00189 -0.00024 14 4XZ 0.00831 -0.00621 -0.00174 0.00133 0.00007 15 4YZ 0.00171 0.00109 -0.00245 0.00104 0.00051 16 2 H 1S -0.05413 0.09487 -0.07540 0.03442 0.00505 17 2S -0.01307 0.03354 -0.03542 0.01725 0.00483 18 3 C 1S -0.07215 0.08288 0.03723 -0.01421 0.00233 19 2S 0.14399 -0.16862 -0.07678 0.02804 -0.00360 20 2PX 0.04127 0.00364 0.13675 -0.06855 0.00207 21 2PY -0.09231 0.11860 -0.08668 0.04613 0.00358 22 2PZ -0.03119 -0.00044 -0.10026 0.05287 -0.00495 23 3S 0.14416 -0.15917 -0.06971 0.02968 -0.01728 24 3PX 0.00454 0.00217 0.04400 -0.02110 -0.00428 25 3PY -0.00773 0.05715 -0.01628 0.00852 -0.00469 26 3PZ -0.00204 -0.00102 -0.03205 0.01786 0.00058 27 4XX 0.00315 -0.00021 0.00465 -0.00236 -0.00010 28 4YY -0.00720 0.00517 -0.00465 0.00189 0.00007 29 4ZZ -0.00116 0.00278 0.00384 -0.00167 0.00052 30 4XY -0.00227 -0.00187 -0.00313 0.00189 -0.00024 31 4XZ -0.00831 0.00621 -0.00174 0.00133 -0.00007 32 4YZ 0.00171 0.00109 0.00245 -0.00104 0.00051 33 4 H 1S 0.05413 -0.09487 -0.07540 0.03442 -0.00505 34 2S 0.01307 -0.03354 -0.03542 0.01725 -0.00483 35 5 C 1S -0.09003 -0.00253 -0.07434 0.04035 -0.00610 36 2S 0.19001 0.00615 0.16212 -0.09000 0.01415 37 2PX 0.00217 0.16875 -0.00539 -0.00151 0.00176 38 2PY 0.14474 -0.00134 0.08826 -0.04138 0.00591 39 2PZ 0.01628 -0.12171 0.01423 -0.01832 -0.02143 40 3S 0.15363 -0.00196 0.13370 -0.07095 0.01308 41 3PX 0.00186 0.01475 0.00531 0.00020 -0.00110 42 3PY 0.02835 -0.00570 0.03507 -0.01407 0.01475 43 3PZ 0.00448 -0.01276 0.00432 -0.00597 -0.00877 44 4XX 0.00424 -0.00004 -0.00449 0.00080 -0.00043 45 4YY -0.01299 -0.00007 -0.00674 0.00453 -0.00030 46 4ZZ -0.00072 -0.00069 -0.00480 0.00270 0.00011 47 4XY -0.00124 0.00542 -0.00028 0.00142 0.00064 48 4XZ -0.00924 0.00051 -0.00065 0.00015 -0.00132 49 4YZ 0.00005 -0.00380 0.00013 -0.00050 0.00003 50 6 C 1S -0.06346 -0.08312 0.03483 -0.02849 -0.01024 51 2S 0.12423 0.16590 -0.07032 0.05942 0.02412 52 2PX -0.05438 -0.01845 -0.12097 0.04213 -0.00786 53 2PY -0.07289 -0.10940 -0.05973 0.06698 -0.01449 54 2PZ 0.02188 -0.01328 0.08978 -0.06660 -0.01762 55 3S 0.13154 0.18075 -0.07874 0.05219 0.00283 56 3PX -0.00751 -0.01181 -0.03929 0.01206 0.00311 57 3PY -0.00112 -0.04417 -0.00775 0.01741 -0.01171 58 3PZ 0.00430 0.00065 0.02751 -0.02244 -0.01467 59 4XX 0.00175 -0.00214 0.00701 -0.00557 0.00090 60 4YY -0.00761 -0.00646 -0.00418 0.00334 -0.00073 61 4ZZ -0.00001 0.00003 -0.00003 -0.00097 -0.00074 62 4XY 0.00405 0.00182 0.00204 -0.00094 0.00067 63 4XZ -0.00730 -0.00554 -0.00269 -0.00014 -0.00201 64 4YZ -0.00028 0.00308 -0.00274 0.00215 0.00187 65 7 H 1S 0.04245 0.08879 -0.07015 0.03946 0.01975 66 2S 0.00943 0.03325 -0.03213 0.02052 0.00980 67 8 C 1S 0.06346 0.08311 0.03483 -0.02849 0.01024 68 2S -0.12423 -0.16590 -0.07032 0.05942 -0.02412 69 2PX 0.05438 0.01844 -0.12097 0.04212 0.00786 70 2PY -0.07289 -0.10940 0.05973 -0.06698 -0.01449 71 2PZ -0.02188 0.01328 0.08978 -0.06660 0.01762 72 3S -0.13154 -0.18075 -0.07874 0.05219 -0.00283 73 3PX 0.00751 0.01181 -0.03929 0.01206 -0.00311 74 3PY -0.00112 -0.04417 0.00775 -0.01741 -0.01171 75 3PZ -0.00430 -0.00065 0.02751 -0.02244 0.01467 76 4XX -0.00175 0.00214 0.00701 -0.00557 -0.00090 77 4YY 0.00761 0.00646 -0.00418 0.00334 0.00073 78 4ZZ 0.00001 -0.00003 -0.00003 -0.00097 0.00074 79 4XY 0.00405 0.00182 -0.00204 0.00094 0.00067 80 4XZ 0.00730 0.00554 -0.00269 -0.00014 0.00201 81 4YZ -0.00028 0.00308 0.00274 -0.00215 0.00187 82 9 H 1S -0.04245 -0.08879 -0.07015 0.03946 -0.01975 83 2S -0.00943 -0.03325 -0.03213 0.02052 -0.00980 84 10 C 1S 0.09003 0.00253 -0.07434 0.04035 0.00611 85 2S -0.19001 -0.00615 0.16212 -0.09000 -0.01415 86 2PX -0.00217 -0.16875 -0.00539 -0.00151 -0.00176 87 2PY 0.14474 -0.00134 -0.08826 0.04138 0.00591 88 2PZ -0.01628 0.12171 0.01423 -0.01832 0.02143 89 3S -0.15363 0.00196 0.13370 -0.07094 -0.01308 90 3PX -0.00186 -0.01476 0.00531 0.00020 0.00110 91 3PY 0.02835 -0.00570 -0.03507 0.01407 0.01475 92 3PZ -0.00448 0.01276 0.00432 -0.00597 0.00877 93 4XX -0.00424 0.00004 -0.00449 0.00080 0.00043 94 4YY 0.01299 0.00007 -0.00674 0.00453 0.00030 95 4ZZ 0.00072 0.00069 -0.00480 0.00270 -0.00011 96 4XY -0.00124 0.00542 0.00028 -0.00142 0.00064 97 4XZ 0.00924 -0.00051 -0.00065 0.00015 0.00132 98 4YZ 0.00005 -0.00380 -0.00013 0.00050 0.00003 99 11 O 1S 0.05857 -0.00018 0.03334 -0.02168 0.00221 100 2S -0.13159 0.00100 -0.07639 0.04984 -0.00605 101 2PX -0.00165 0.06196 -0.00093 -0.00624 -0.00209 102 2PY 0.02837 -0.00194 0.05387 -0.03450 0.00836 103 2PZ 0.00396 -0.04530 0.00661 -0.00905 -0.01230 104 3S -0.16454 -0.00203 -0.09726 0.06591 -0.00013 105 3PX -0.00128 0.03280 -0.00177 -0.00490 -0.00152 106 3PY 0.01701 -0.00130 0.03295 -0.01994 0.00674 107 3PZ 0.00144 -0.02408 0.00342 -0.00504 -0.00635 108 4XX 0.00119 0.00112 -0.00079 -0.00002 -0.00069 109 4YY 0.00688 -0.00012 0.00739 -0.00417 0.00064 110 4ZZ 0.00070 -0.00044 -0.00076 0.00053 -0.00054 111 4XY 0.00016 0.00659 0.00012 -0.00074 -0.00003 112 4XZ -0.00111 0.00008 -0.00036 0.00004 -0.00036 113 4YZ 0.00079 -0.00482 0.00100 -0.00111 -0.00099 114 12 O 1S -0.05857 0.00018 0.03334 -0.02168 -0.00221 115 2S 0.13159 -0.00100 -0.07639 0.04984 0.00605 116 2PX 0.00165 -0.06196 -0.00093 -0.00624 0.00210 117 2PY 0.02837 -0.00193 -0.05387 0.03450 0.00836 118 2PZ -0.00396 0.04530 0.00661 -0.00905 0.01230 119 3S 0.16454 0.00204 -0.09726 0.06591 0.00013 120 3PX 0.00128 -0.03280 -0.00177 -0.00490 0.00152 121 3PY 0.01701 -0.00130 -0.03295 0.01994 0.00674 122 3PZ -0.00143 0.02408 0.00342 -0.00504 0.00635 123 4XX -0.00119 -0.00112 -0.00079 -0.00002 0.00069 124 4YY -0.00688 0.00012 0.00739 -0.00417 -0.00064 125 4ZZ -0.00070 0.00044 -0.00076 0.00053 0.00054 126 4XY 0.00016 0.00659 -0.00012 0.00074 -0.00003 127 4XZ 0.00111 -0.00008 -0.00036 0.00004 0.00036 128 4YZ 0.00079 -0.00482 -0.00100 0.00111 -0.00099 129 13 C 1S 0.03906 0.01392 0.04060 0.08144 0.06101 130 2S -0.07846 -0.03143 -0.08136 -0.16768 -0.12553 131 2PX -0.03332 -0.03253 -0.00187 -0.02783 0.11126 132 2PY 0.00412 -0.00189 0.03331 0.09987 0.04943 133 2PZ 0.00511 -0.00143 0.03128 0.03525 -0.12771 134 3S -0.07055 -0.02118 -0.08882 -0.16927 -0.12932 135 3PX -0.00648 -0.01287 0.00397 0.00180 0.03752 136 3PY 0.00051 0.00326 0.00574 0.04223 0.02524 137 3PZ -0.00104 -0.00379 0.01142 0.00639 -0.04054 138 4XX 0.00174 0.00001 0.00424 0.00505 0.01021 139 4YY 0.00020 -0.00021 -0.00143 -0.00353 -0.00785 140 4ZZ 0.00172 0.00067 0.00331 0.00915 0.00446 141 4XY -0.00112 -0.00052 -0.00033 -0.00312 -0.00022 142 4XZ 0.00323 0.00282 -0.00114 0.00051 -0.00361 143 4YZ 0.00093 0.00049 0.00395 0.00671 -0.00017 144 14 C 1S 0.03141 0.02075 -0.02845 -0.03159 -0.09168 145 2S -0.06295 -0.04313 0.05902 0.06408 0.18870 146 2PX 0.01709 0.00366 0.07281 0.09980 0.04653 147 2PY 0.03699 0.02574 0.05540 0.10828 -0.12073 148 2PZ -0.01491 -0.00836 -0.03726 -0.08018 -0.05585 149 3S -0.05014 -0.03510 0.05649 0.06211 0.18110 150 3PX -0.00127 -0.00374 0.02284 0.03168 0.02683 151 3PY 0.01031 0.00810 0.01308 0.02571 -0.04930 152 3PZ 0.00037 0.00048 -0.00829 -0.02696 -0.03052 153 4XX -0.00050 0.00016 -0.00459 -0.00547 -0.00134 154 4YY 0.00333 0.00193 0.00324 0.00377 -0.00772 155 4ZZ 0.00006 -0.00015 -0.00134 -0.00255 -0.00242 156 4XY -0.00069 0.00037 -0.00160 -0.00386 -0.00765 157 4XZ 0.00358 0.00230 -0.00043 0.00217 -0.00574 158 4YZ 0.00044 -0.00004 0.00222 0.00319 0.00841 159 15 C 1S -0.03141 -0.02075 -0.02845 -0.03159 0.09168 160 2S 0.06295 0.04313 0.05902 0.06408 -0.18870 161 2PX -0.01709 -0.00365 0.07281 0.09980 -0.04653 162 2PY 0.03699 0.02574 -0.05540 -0.10828 -0.12073 163 2PZ 0.01491 0.00836 -0.03726 -0.08018 0.05585 164 3S 0.05014 0.03510 0.05649 0.06211 -0.18110 165 3PX 0.00127 0.00374 0.02284 0.03168 -0.02683 166 3PY 0.01031 0.00810 -0.01308 -0.02571 -0.04930 167 3PZ -0.00037 -0.00048 -0.00829 -0.02696 0.03052 168 4XX 0.00050 -0.00016 -0.00459 -0.00547 0.00134 169 4YY -0.00333 -0.00193 0.00324 0.00377 0.00772 170 4ZZ -0.00006 0.00015 -0.00134 -0.00255 0.00242 171 4XY -0.00069 0.00037 0.00160 0.00386 -0.00765 172 4XZ -0.00358 -0.00230 -0.00043 0.00217 0.00574 173 4YZ 0.00044 -0.00004 -0.00222 -0.00319 0.00841 174 16 C 1S -0.03906 -0.01392 0.04060 0.08144 -0.06101 175 2S 0.07846 0.03143 -0.08136 -0.16768 0.12553 176 2PX 0.03332 0.03253 -0.00187 -0.02783 -0.11127 177 2PY 0.00412 -0.00190 -0.03331 -0.09987 0.04943 178 2PZ -0.00511 0.00143 0.03128 0.03525 0.12770 179 3S 0.07055 0.02118 -0.08882 -0.16927 0.12932 180 3PX 0.00648 0.01287 0.00397 0.00181 -0.03752 181 3PY 0.00051 0.00326 -0.00574 -0.04223 0.02524 182 3PZ 0.00104 0.00379 0.01143 0.00639 0.04054 183 4XX -0.00174 -0.00001 0.00424 0.00505 -0.01021 184 4YY -0.00020 0.00021 -0.00143 -0.00353 0.00785 185 4ZZ -0.00172 -0.00067 0.00331 0.00915 -0.00446 186 4XY -0.00112 -0.00052 0.00033 0.00312 -0.00022 187 4XZ -0.00323 -0.00282 -0.00114 0.00051 0.00361 188 4YZ 0.00093 0.00049 -0.00395 -0.00671 -0.00017 189 17 H 1S -0.02655 -0.00758 -0.04560 -0.11120 -0.10412 190 2S -0.00985 0.00009 -0.02374 -0.04682 -0.05135 191 18 H 1S -0.02419 -0.02056 0.03944 0.04727 0.15029 192 2S -0.00548 -0.00626 0.01869 0.02168 0.07513 193 19 H 1S 0.02419 0.02056 0.03944 0.04727 -0.15029 194 2S 0.00548 0.00626 0.01868 0.02168 -0.07513 195 20 H 1S 0.02655 0.00758 -0.04560 -0.11120 0.10412 196 2S 0.00985 -0.00009 -0.02374 -0.04682 0.05135 197 21 C 1S 0.00000 0.00000 -0.03996 -0.07895 0.00000 198 2S 0.00000 0.00000 0.07908 0.15923 0.00000 199 2PX 0.00000 0.00000 -0.02131 -0.03878 0.00000 200 2PY 0.03188 0.01224 0.00000 0.00000 0.17104 201 2PZ 0.00000 0.00000 0.06655 0.11136 0.00000 202 3S 0.00000 0.00000 0.09869 0.17497 0.00000 203 3PX 0.00000 0.00000 -0.00567 -0.01699 0.00000 204 3PY 0.00404 0.00571 0.00000 0.00000 0.06344 205 3PZ 0.00000 0.00000 0.02111 0.04308 0.00000 206 4XX 0.00000 0.00000 0.00494 0.00704 0.00000 207 4YY 0.00000 0.00000 -0.00631 -0.01342 0.00000 208 4ZZ 0.00000 0.00000 -0.00140 -0.00057 0.00000 209 4XY 0.00308 0.00160 0.00000 0.00000 0.00285 210 4XZ 0.00000 0.00000 0.00197 0.00376 0.00000 211 4YZ -0.00297 -0.00105 0.00000 0.00000 -0.00870 212 22 H 1S 0.00000 0.00000 0.05629 0.10010 0.00000 213 2S 0.00000 0.00000 0.02607 0.04510 0.00000 214 23 H 1S 0.00000 0.00000 0.05177 0.09749 0.00000 215 2S 0.00000 0.00000 0.02253 0.04617 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.53574 -0.49168 -0.48630 -0.47397 -0.46922 1 1 C 1S -0.00245 0.00980 -0.00025 -0.00346 -0.04401 2 2S 0.00414 -0.01988 -0.00293 0.00859 0.08791 3 2PX -0.01820 -0.00008 0.10813 0.06341 -0.12580 4 2PY -0.02360 0.30540 -0.06563 -0.03118 0.06238 5 2PZ 0.02658 -0.00262 -0.04591 -0.11266 0.09246 6 3S 0.00195 0.01027 0.01017 0.01358 0.15766 7 3PX -0.00500 0.00007 0.05259 0.02131 -0.01754 8 3PY -0.00955 0.09702 -0.01373 -0.00002 0.00952 9 3PZ 0.01069 -0.00059 -0.02032 -0.05178 0.01623 10 4XX -0.00008 0.00612 -0.00138 -0.00458 0.00031 11 4YY 0.00018 -0.00273 0.00008 0.00063 -0.00283 12 4ZZ -0.00078 0.00373 -0.00329 0.00110 -0.00155 13 4XY -0.00066 0.00191 -0.00077 0.00098 -0.01353 14 4XZ 0.00084 -0.00465 0.00272 0.00003 -0.00316 15 4YZ 0.00023 -0.00150 -0.00037 0.00045 0.00997 16 2 H 1S 0.00854 0.08034 -0.07251 -0.06146 0.14610 17 2S 0.00484 0.05590 -0.04090 -0.04093 0.11325 18 3 C 1S -0.00245 0.00980 -0.00025 -0.00346 0.04401 19 2S 0.00414 -0.01988 -0.00293 0.00859 -0.08790 20 2PX -0.01820 -0.00009 0.10813 0.06341 0.12580 21 2PY 0.02360 -0.30540 0.06563 0.03118 0.06238 22 2PZ 0.02658 -0.00262 -0.04591 -0.11266 -0.09247 23 3S 0.00195 0.01027 0.01017 0.01359 -0.15766 24 3PX -0.00500 0.00007 0.05259 0.02131 0.01754 25 3PY 0.00955 -0.09702 0.01373 0.00002 0.00952 26 3PZ 0.01069 -0.00059 -0.02032 -0.05178 -0.01623 27 4XX -0.00008 0.00612 -0.00138 -0.00458 -0.00031 28 4YY 0.00018 -0.00273 0.00008 0.00063 0.00283 29 4ZZ -0.00078 0.00373 -0.00329 0.00110 0.00155 30 4XY 0.00066 -0.00191 0.00077 -0.00098 -0.01353 31 4XZ 0.00084 -0.00465 0.00272 0.00003 0.00316 32 4YZ -0.00023 0.00150 0.00037 -0.00045 0.00997 33 4 H 1S 0.00854 0.08034 -0.07251 -0.06145 -0.14610 34 2S 0.00484 0.05590 -0.04090 -0.04092 -0.11325 35 5 C 1S 0.00549 -0.01713 0.03952 0.01639 -0.07169 36 2S -0.01361 0.04178 -0.09362 -0.03846 0.15895 37 2PX 0.03729 -0.17129 -0.05229 -0.13294 -0.00308 38 2PY -0.01061 -0.04172 0.07256 0.06016 -0.01181 39 2PZ -0.00815 0.13052 0.10352 -0.01015 0.01190 40 3S -0.00366 0.04284 -0.09262 -0.04836 0.19611 41 3PX 0.00868 -0.03927 -0.00179 -0.04080 0.00963 42 3PY -0.00974 -0.02276 0.01557 0.02549 0.06786 43 3PZ 0.00425 0.03498 0.03065 -0.02379 0.01158 44 4XX 0.00071 0.00215 -0.00011 -0.00108 -0.00988 45 4YY -0.00067 -0.00666 0.00967 0.00424 -0.00095 46 4ZZ 0.00068 0.00064 -0.00013 0.00128 -0.00917 47 4XY -0.00082 0.00350 0.00133 -0.00078 0.00021 48 4XZ 0.00026 -0.00267 0.00453 -0.00009 0.00422 49 4YZ 0.00006 -0.00302 0.00029 0.00013 0.00050 50 6 C 1S -0.00051 -0.00753 -0.00231 -0.01053 0.04534 51 2S -0.00029 0.01633 0.00208 0.02301 -0.08900 52 2PX 0.00482 0.09714 0.03632 -0.01678 -0.09653 53 2PY -0.04224 0.10518 0.21006 0.11471 0.05820 54 2PZ -0.00659 -0.05567 0.09216 -0.10815 0.10980 55 3S 0.00832 0.00787 -0.00512 0.00842 -0.16421 56 3PX 0.00156 0.04028 0.01184 -0.01500 -0.01354 57 3PY -0.01559 0.04054 0.07392 0.03903 0.01221 58 3PZ 0.00173 -0.02243 0.04761 -0.04880 0.01564 59 4XX -0.00073 -0.00258 -0.00360 -0.00080 0.00423 60 4YY -0.00011 0.00146 0.00166 0.00192 0.00384 61 4ZZ 0.00135 0.00133 -0.00311 -0.00438 -0.00314 62 4XY -0.00081 -0.00127 -0.00244 -0.00459 0.00896 63 4XZ -0.00074 0.00113 0.00414 -0.00156 0.00214 64 4YZ -0.00081 0.00088 0.00119 0.00016 -0.01122 65 7 H 1S 0.01637 0.02465 -0.08293 0.01892 -0.13633 66 2S 0.01521 0.01029 -0.04700 0.01277 -0.10245 67 8 C 1S -0.00051 -0.00753 -0.00231 -0.01053 -0.04534 68 2S -0.00029 0.01633 0.00208 0.02301 0.08900 69 2PX 0.00482 0.09714 0.03632 -0.01678 0.09653 70 2PY 0.04224 -0.10518 -0.21006 -0.11472 0.05819 71 2PZ -0.00659 -0.05567 0.09216 -0.10815 -0.10981 72 3S 0.00831 0.00787 -0.00512 0.00842 0.16421 73 3PX 0.00156 0.04028 0.01184 -0.01500 0.01354 74 3PY 0.01558 -0.04054 -0.07393 -0.03903 0.01221 75 3PZ 0.00173 -0.02243 0.04761 -0.04880 -0.01564 76 4XX -0.00073 -0.00258 -0.00360 -0.00080 -0.00423 77 4YY -0.00011 0.00146 0.00166 0.00192 -0.00384 78 4ZZ 0.00135 0.00133 -0.00311 -0.00438 0.00314 79 4XY 0.00081 0.00127 0.00244 0.00459 0.00896 80 4XZ -0.00074 0.00113 0.00414 -0.00156 -0.00214 81 4YZ 0.00081 -0.00088 -0.00119 -0.00016 -0.01122 82 9 H 1S 0.01637 0.02465 -0.08293 0.01891 0.13634 83 2S 0.01521 0.01029 -0.04700 0.01277 0.10245 84 10 C 1S 0.00549 -0.01713 0.03952 0.01639 0.07169 85 2S -0.01361 0.04178 -0.09362 -0.03845 -0.15895 86 2PX 0.03729 -0.17129 -0.05230 -0.13294 0.00307 87 2PY 0.01061 0.04172 -0.07256 -0.06015 -0.01181 88 2PZ -0.00815 0.13052 0.10352 -0.01015 -0.01190 89 3S -0.00366 0.04283 -0.09262 -0.04836 -0.19611 90 3PX 0.00868 -0.03926 -0.00179 -0.04080 -0.00963 91 3PY 0.00974 0.02276 -0.01557 -0.02549 0.06786 92 3PZ 0.00425 0.03498 0.03065 -0.02379 -0.01158 93 4XX 0.00071 0.00215 -0.00011 -0.00108 0.00988 94 4YY -0.00067 -0.00666 0.00967 0.00424 0.00095 95 4ZZ 0.00068 0.00064 -0.00013 0.00128 0.00917 96 4XY 0.00082 -0.00350 -0.00133 0.00078 0.00021 97 4XZ 0.00026 -0.00267 0.00453 -0.00009 -0.00422 98 4YZ -0.00006 0.00302 -0.00029 -0.00013 0.00050 99 11 O 1S 0.00047 0.02758 -0.04869 -0.02371 0.03845 100 2S -0.00009 -0.05705 0.10275 0.04772 -0.08542 101 2PX 0.02370 -0.09845 -0.04626 -0.08931 0.01683 102 2PY -0.00558 0.08597 -0.15987 -0.07608 0.16982 103 2PZ -0.00230 0.09069 0.05008 -0.02312 0.01941 104 3S -0.00749 -0.12132 0.20066 0.10955 -0.12808 105 3PX 0.01376 -0.05965 -0.02667 -0.04964 0.00891 106 3PY -0.00590 0.03838 -0.07640 -0.03303 0.09620 107 3PZ -0.00209 0.05170 0.02972 -0.00973 0.01020 108 4XX 0.00112 0.00044 -0.00239 -0.00285 -0.00169 109 4YY -0.00054 0.00844 -0.01461 -0.00657 0.01366 110 4ZZ 0.00046 0.00216 -0.00061 -0.00138 -0.00162 111 4XY 0.00192 -0.00806 -0.00427 -0.00762 0.00162 112 4XZ 0.00023 -0.00093 0.00165 -0.00012 0.00054 113 4YZ -0.00038 0.00771 0.00391 -0.00177 0.00184 114 12 O 1S 0.00047 0.02758 -0.04869 -0.02371 -0.03845 115 2S -0.00009 -0.05705 0.10275 0.04772 0.08542 116 2PX 0.02370 -0.09846 -0.04625 -0.08931 -0.01682 117 2PY 0.00558 -0.08597 0.15987 0.07608 0.16982 118 2PZ -0.00230 0.09069 0.05008 -0.02312 -0.01942 119 3S -0.00749 -0.12132 0.20066 0.10955 0.12808 120 3PX 0.01376 -0.05965 -0.02667 -0.04964 -0.00890 121 3PY 0.00590 -0.03838 0.07640 0.03303 0.09620 122 3PZ -0.00209 0.05170 0.02972 -0.00973 -0.01020 123 4XX 0.00112 0.00044 -0.00239 -0.00285 0.00169 124 4YY -0.00054 0.00843 -0.01461 -0.00657 -0.01366 125 4ZZ 0.00046 0.00216 -0.00061 -0.00138 0.00162 126 4XY -0.00192 0.00806 0.00427 0.00762 0.00162 127 4XZ 0.00023 -0.00093 0.00165 -0.00012 -0.00054 128 4YZ 0.00038 -0.00771 -0.00391 0.00177 0.00184 129 13 C 1S -0.01540 -0.00161 -0.00540 -0.00399 -0.00211 130 2S 0.03194 0.00136 0.01047 0.01124 0.00551 131 2PX -0.04957 -0.01942 -0.05774 0.10935 0.01327 132 2PY -0.20979 -0.01431 -0.00242 -0.05501 0.00205 133 2PZ 0.03121 -0.00946 -0.02463 0.04459 0.02429 134 3S 0.04653 0.01827 0.02058 -0.00488 0.01008 135 3PX -0.01420 -0.00168 -0.01973 0.05169 0.00350 136 3PY -0.08114 0.00224 0.01569 -0.03079 -0.00071 137 3PZ 0.01498 -0.00261 -0.01152 0.02332 0.01778 138 4XX 0.00067 -0.00075 0.00026 -0.00132 0.00099 139 4YY -0.00097 -0.00027 0.00099 -0.00154 0.00057 140 4ZZ 0.00266 0.00118 -0.00154 0.00177 -0.00136 141 4XY -0.00387 -0.00202 -0.00472 0.00447 -0.00013 142 4XZ -0.00166 -0.00031 -0.00170 0.00133 -0.00159 143 4YZ -0.00029 -0.00077 -0.00302 0.00274 0.00034 144 14 C 1S -0.01477 0.00215 -0.00039 0.00230 -0.00674 145 2S 0.02924 -0.00586 0.00138 -0.00697 0.01675 146 2PX 0.13425 0.00300 0.00037 0.02087 0.01506 147 2PY -0.13765 -0.02228 -0.00398 -0.07838 -0.01067 148 2PZ -0.12417 -0.02893 -0.04407 0.05819 0.00250 149 3S 0.05236 -0.00453 -0.00174 -0.00108 0.00727 150 3PX 0.04100 -0.00035 0.00067 0.00884 0.01273 151 3PY -0.04201 -0.00791 -0.00362 -0.02246 -0.00938 152 3PZ -0.03958 -0.01565 -0.02107 0.02658 0.00252 153 4XX -0.00030 0.00121 0.00219 -0.00253 -0.00060 154 4YY 0.00216 -0.00056 0.00034 -0.00157 0.00006 155 4ZZ 0.00106 -0.00053 -0.00210 0.00436 0.00092 156 4XY 0.00331 -0.00025 -0.00090 0.00237 -0.00136 157 4XZ -0.00094 0.00064 0.00034 -0.00164 -0.00137 158 4YZ -0.00184 -0.00060 -0.00100 0.00072 0.00018 159 15 C 1S -0.01477 0.00215 -0.00039 0.00230 0.00674 160 2S 0.02924 -0.00586 0.00138 -0.00697 -0.01675 161 2PX 0.13425 0.00300 0.00037 0.02087 -0.01506 162 2PY 0.13765 0.02228 0.00398 0.07838 -0.01067 163 2PZ -0.12417 -0.02893 -0.04407 0.05819 -0.00250 164 3S 0.05236 -0.00453 -0.00174 -0.00108 -0.00727 165 3PX 0.04100 -0.00035 0.00067 0.00884 -0.01274 166 3PY 0.04201 0.00791 0.00362 0.02246 -0.00937 167 3PZ -0.03958 -0.01565 -0.02107 0.02658 -0.00252 168 4XX -0.00030 0.00121 0.00219 -0.00253 0.00060 169 4YY 0.00216 -0.00056 0.00034 -0.00157 -0.00006 170 4ZZ 0.00106 -0.00053 -0.00210 0.00436 -0.00092 171 4XY -0.00331 0.00025 0.00090 -0.00237 -0.00136 172 4XZ -0.00094 0.00064 0.00034 -0.00164 0.00137 173 4YZ 0.00184 0.00060 0.00100 -0.00072 0.00018 174 16 C 1S -0.01540 -0.00161 -0.00540 -0.00399 0.00211 175 2S 0.03194 0.00136 0.01047 0.01124 -0.00551 176 2PX -0.04957 -0.01942 -0.05774 0.10936 -0.01327 177 2PY 0.20979 0.01431 0.00242 0.05501 0.00205 178 2PZ 0.03121 -0.00946 -0.02463 0.04460 -0.02429 179 3S 0.04653 0.01827 0.02058 -0.00487 -0.01008 180 3PX -0.01420 -0.00168 -0.01973 0.05169 -0.00349 181 3PY 0.08114 -0.00224 -0.01569 0.03079 -0.00071 182 3PZ 0.01498 -0.00261 -0.01152 0.02332 -0.01778 183 4XX 0.00067 -0.00076 0.00026 -0.00132 -0.00099 184 4YY -0.00097 -0.00027 0.00099 -0.00154 -0.00057 185 4ZZ 0.00266 0.00118 -0.00154 0.00177 0.00136 186 4XY 0.00387 0.00202 0.00472 -0.00447 -0.00013 187 4XZ -0.00166 -0.00031 -0.00170 0.00133 0.00159 188 4YZ 0.00029 0.00077 0.00302 -0.00274 0.00034 189 17 H 1S 0.12117 0.00828 0.00809 0.02529 0.00327 190 2S 0.06485 0.00030 0.01573 0.01244 -0.00436 191 18 H 1S 0.12797 0.01430 0.01535 0.01114 0.01565 192 2S 0.07978 0.00930 0.00780 0.01067 0.00748 193 19 H 1S 0.12797 0.01430 0.01535 0.01114 -0.01565 194 2S 0.07978 0.00930 0.00780 0.01067 -0.00748 195 20 H 1S 0.12117 0.00828 0.00809 0.02528 -0.00327 196 2S 0.06485 0.00030 0.01573 0.01244 0.00436 197 21 C 1S -0.01110 -0.00229 0.00739 -0.00079 0.00000 198 2S 0.02235 0.00533 -0.01446 -0.00068 0.00000 199 2PX -0.10956 -0.03713 -0.14246 0.21923 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 -0.02049 201 2PZ 0.13997 0.00221 -0.08114 0.14621 0.00000 202 3S 0.03670 -0.00307 -0.03230 0.02134 0.00000 203 3PX -0.04822 -0.02949 -0.08028 0.10812 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 -0.00352 205 3PZ 0.04707 0.00432 -0.03503 0.06184 0.00000 206 4XX 0.00475 0.00007 -0.00013 0.00024 0.00000 207 4YY 0.00414 -0.00009 0.00110 0.00021 0.00000 208 4ZZ -0.00545 -0.00050 -0.00239 0.00277 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 -0.00067 210 4XZ 0.00617 0.00006 -0.00447 0.00991 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00021 212 22 H 1S 0.08618 0.01988 0.05858 -0.09428 0.00000 213 2S 0.04916 0.00631 0.03608 -0.06936 0.00000 214 23 H 1S 0.03583 -0.00902 -0.09276 0.14745 0.00000 215 2S 0.02937 -0.00296 -0.05633 0.10182 0.00000 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 0.01370 -0.00379 -0.00356 -0.00306 -0.00391 2 2S -0.02999 0.00696 0.00640 0.00771 0.01377 3 2PX -0.14415 0.09382 -0.04522 0.11235 0.01895 4 2PY 0.12931 -0.01107 0.00793 0.00438 -0.15715 5 2PZ 0.11729 -0.05661 0.05637 0.09553 0.03198 6 3S -0.06543 0.06952 0.00544 0.01212 -0.00981 7 3PX -0.05521 0.06298 -0.02157 0.05837 -0.01140 8 3PY 0.01354 -0.04482 -0.00226 0.00635 -0.03732 9 3PZ 0.04524 -0.03622 0.03089 0.05388 0.03255 10 4XX 0.00679 0.00301 0.00123 0.00413 -0.00380 11 4YY -0.00360 -0.00534 0.00096 0.00065 0.00574 12 4ZZ 0.00285 0.00005 -0.00166 -0.00489 -0.00400 13 4XY -0.00253 0.00572 -0.00340 -0.00100 0.00165 14 4XZ -0.00519 -0.00145 0.00022 0.00176 0.00491 15 4YZ 0.00221 -0.00278 0.00499 -0.00216 -0.00214 16 2 H 1S 0.12355 -0.05757 0.04642 -0.01305 -0.05184 17 2S 0.11015 -0.02656 0.03464 -0.01004 -0.06607 18 3 C 1S 0.01370 0.00379 0.00356 -0.00306 -0.00391 19 2S -0.02999 -0.00696 -0.00639 0.00771 0.01377 20 2PX -0.14416 -0.09382 0.04523 0.11235 0.01895 21 2PY -0.12931 -0.01106 0.00793 -0.00439 0.15715 22 2PZ 0.11728 0.05660 -0.05637 0.09554 0.03199 23 3S -0.06543 -0.06952 -0.00544 0.01212 -0.00981 24 3PX -0.05521 -0.06298 0.02158 0.05836 -0.01140 25 3PY -0.01353 -0.04482 -0.00226 -0.00635 0.03732 26 3PZ 0.04524 0.03622 -0.03088 0.05388 0.03255 27 4XX 0.00679 -0.00301 -0.00123 0.00413 -0.00380 28 4YY -0.00360 0.00534 -0.00096 0.00065 0.00574 29 4ZZ 0.00285 -0.00005 0.00166 -0.00489 -0.00400 30 4XY 0.00253 0.00572 -0.00340 0.00100 -0.00165 31 4XZ -0.00519 0.00145 -0.00022 0.00176 0.00491 32 4YZ -0.00221 -0.00278 0.00499 0.00216 0.00214 33 4 H 1S 0.12355 0.05757 -0.04642 -0.01305 -0.05184 34 2S 0.11014 0.02656 -0.03465 -0.01004 -0.06606 35 5 C 1S 0.00450 -0.00231 -0.00366 0.00069 -0.00773 36 2S -0.01058 0.00860 0.00955 -0.00101 0.02084 37 2PX 0.09790 -0.04582 -0.07960 0.10650 0.02514 38 2PY 0.04349 -0.25687 0.07255 0.00179 -0.17247 39 2PZ -0.03755 -0.04663 -0.03929 0.17920 0.04293 40 3S -0.01545 -0.01517 0.00914 -0.00564 -0.00086 41 3PX -0.00932 -0.01089 -0.03185 0.06260 0.02155 42 3PY 0.00301 0.00137 0.01293 -0.00263 0.02263 43 3PZ 0.01848 -0.01743 -0.03537 0.09219 0.02849 44 4XX 0.00156 -0.00586 0.00126 -0.00172 -0.00899 45 4YY 0.00055 0.00081 -0.00092 0.00048 0.01025 46 4ZZ -0.00039 -0.00445 0.00138 0.00264 -0.00732 47 4XY 0.00833 0.00159 0.00335 -0.00540 0.00041 48 4XZ 0.00008 0.00090 -0.00034 -0.00299 0.00416 49 4YZ -0.00645 0.00129 0.00321 -0.00497 -0.00075 50 6 C 1S -0.02008 0.00275 -0.00527 -0.00689 -0.00740 51 2S 0.04316 -0.00561 0.00646 0.01490 0.01966 52 2PX -0.14855 0.08178 -0.00935 0.05967 0.04894 53 2PY 0.14497 -0.01266 0.00451 -0.03251 0.15250 54 2PZ 0.15830 -0.09165 -0.01676 0.01231 0.05295 55 3S 0.08719 -0.05791 0.05285 0.01802 0.00447 56 3PX -0.07047 0.05029 0.00353 0.03399 0.04419 57 3PY 0.02431 -0.03923 0.03348 -0.01510 0.04129 58 3PZ 0.06548 -0.05800 -0.00856 0.00619 0.01196 59 4XX -0.00264 -0.00306 0.00283 -0.00477 -0.00534 60 4YY 0.00406 0.00436 -0.00280 0.00051 0.00628 61 4ZZ -0.00892 0.00059 -0.00123 0.00383 -0.00306 62 4XY 0.00050 -0.00326 0.00058 -0.00068 0.00268 63 4XZ 0.00215 0.00235 -0.00018 -0.00544 0.00369 64 4YZ -0.00249 0.00616 0.00315 -0.00091 -0.00085 65 7 H 1S -0.13257 0.06554 0.00852 0.02969 -0.05390 66 2S -0.10975 0.03442 0.00541 0.02059 -0.06105 67 8 C 1S -0.02008 -0.00275 0.00527 -0.00689 -0.00740 68 2S 0.04316 0.00561 -0.00646 0.01490 0.01966 69 2PX -0.14856 -0.08178 0.00936 0.05967 0.04894 70 2PY -0.14497 -0.01266 0.00451 0.03251 -0.15250 71 2PZ 0.15830 0.09165 0.01676 0.01231 0.05295 72 3S 0.08719 0.05791 -0.05285 0.01803 0.00448 73 3PX -0.07047 -0.05029 -0.00352 0.03399 0.04419 74 3PY -0.02431 -0.03923 0.03348 0.01509 -0.04129 75 3PZ 0.06548 0.05800 0.00856 0.00619 0.01196 76 4XX -0.00264 0.00306 -0.00283 -0.00477 -0.00534 77 4YY 0.00406 -0.00436 0.00280 0.00051 0.00628 78 4ZZ -0.00892 -0.00059 0.00123 0.00383 -0.00305 79 4XY -0.00050 -0.00326 0.00058 0.00068 -0.00268 80 4XZ 0.00215 -0.00235 0.00018 -0.00544 0.00369 81 4YZ 0.00249 0.00616 0.00315 0.00091 0.00085 82 9 H 1S -0.13257 -0.06554 -0.00852 0.02970 -0.05390 83 2S -0.10975 -0.03442 -0.00541 0.02059 -0.06105 84 10 C 1S 0.00451 0.00231 0.00366 0.00069 -0.00773 85 2S -0.01058 -0.00860 -0.00955 -0.00101 0.02084 86 2PX 0.09790 0.04581 0.07961 0.10649 0.02514 87 2PY -0.04349 -0.25687 0.07255 -0.00180 0.17247 88 2PZ -0.03755 0.04663 0.03931 0.17920 0.04293 89 3S -0.01545 0.01517 -0.00914 -0.00564 -0.00086 90 3PX -0.00932 0.01089 0.03186 0.06259 0.02154 91 3PY -0.00300 0.00137 0.01293 0.00263 -0.02263 92 3PZ 0.01848 0.01743 0.03538 0.09219 0.02849 93 4XX 0.00156 0.00586 -0.00126 -0.00172 -0.00899 94 4YY 0.00055 -0.00081 0.00092 0.00048 0.01025 95 4ZZ -0.00039 0.00445 -0.00138 0.00264 -0.00732 96 4XY -0.00833 0.00159 0.00335 0.00540 -0.00041 97 4XZ 0.00008 -0.00090 0.00034 -0.00299 0.00416 98 4YZ 0.00645 0.00129 0.00321 0.00497 0.00075 99 11 O 1S -0.01271 0.05104 -0.01170 -0.00398 0.02694 100 2S 0.02583 -0.10843 0.02446 0.00530 -0.05639 101 2PX 0.02246 0.00453 -0.09524 0.11804 0.05882 102 2PY -0.06720 0.32219 -0.05463 -0.05363 0.22688 103 2PZ -0.00217 -0.00685 -0.06147 0.17439 0.07143 104 3S 0.05514 -0.19917 0.04968 0.02769 -0.09549 105 3PX 0.01611 0.00121 -0.05868 0.07221 0.03502 106 3PY -0.03418 0.17923 -0.02722 -0.02737 0.13312 107 3PZ -0.00251 -0.00510 -0.03731 0.10559 0.04276 108 4XX 0.00019 -0.00118 -0.00156 0.00024 -0.00165 109 4YY -0.00532 0.02122 -0.00264 -0.00552 0.01291 110 4ZZ -0.00044 -0.00164 -0.00056 0.00093 -0.00124 111 4XY 0.00316 0.00077 -0.00643 0.00797 0.00445 112 4XZ 0.00030 -0.00109 -0.00092 0.00166 0.00106 113 4YZ -0.00138 -0.00006 -0.00414 0.01233 0.00517 114 12 O 1S -0.01271 -0.05104 0.01170 -0.00398 0.02694 115 2S 0.02583 0.10843 -0.02446 0.00530 -0.05639 116 2PX 0.02247 -0.00452 0.09525 0.11803 0.05881 117 2PY 0.06721 0.32219 -0.05463 0.05363 -0.22688 118 2PZ -0.00217 0.00685 0.06148 0.17439 0.07143 119 3S 0.05514 0.19917 -0.04968 0.02769 -0.09549 120 3PX 0.01611 -0.00121 0.05868 0.07221 0.03502 121 3PY 0.03418 0.17923 -0.02722 0.02737 -0.13312 122 3PZ -0.00251 0.00510 0.03732 0.10559 0.04276 123 4XX 0.00019 0.00118 0.00156 0.00024 -0.00165 124 4YY -0.00532 -0.02122 0.00264 -0.00552 0.01291 125 4ZZ -0.00044 0.00164 0.00057 0.00093 -0.00124 126 4XY -0.00316 0.00077 -0.00643 -0.00797 -0.00445 127 4XZ 0.00030 0.00109 0.00092 0.00166 0.00106 128 4YZ 0.00138 -0.00006 -0.00414 -0.01233 -0.00517 129 13 C 1S -0.00072 -0.00777 -0.02816 0.01594 0.00199 130 2S 0.00333 0.01612 0.06584 -0.03382 -0.00184 131 2PX 0.03353 0.02924 0.13593 0.06401 0.03568 132 2PY -0.01808 0.02763 0.21806 -0.06776 0.08006 133 2PZ 0.04605 -0.02790 -0.08077 -0.03467 -0.01790 134 3S -0.00953 0.03793 0.10648 -0.06615 -0.01883 135 3PX 0.01745 0.01626 0.06133 0.00921 0.02126 136 3PY -0.00778 0.00473 0.07980 -0.02831 0.01922 137 3PZ 0.02565 -0.00771 -0.02466 -0.00191 -0.01153 138 4XX 0.00117 -0.00041 0.00349 0.00322 0.00142 139 4YY 0.00052 -0.00183 -0.01374 -0.00302 -0.00518 140 4ZZ -0.00241 0.00052 0.00162 0.00357 0.00174 141 4XY 0.00177 0.00080 0.00194 0.00742 -0.00499 142 4XZ 0.00170 -0.00023 -0.00370 0.00298 0.00104 143 4YZ 0.00140 -0.00020 0.00273 -0.00366 0.00548 144 14 C 1S -0.00222 0.00273 -0.00960 -0.00959 0.01083 145 2S 0.00577 -0.00440 0.02804 0.02076 -0.02590 146 2PX 0.05100 -0.04847 -0.17799 -0.04652 0.01781 147 2PY -0.01150 0.01043 0.02254 0.09105 -0.20098 148 2PZ 0.03494 0.03604 0.15537 0.06305 -0.02323 149 3S 0.00526 -0.01319 0.00324 0.04659 -0.03005 150 3PX 0.02587 -0.01315 -0.03337 -0.01971 0.00484 151 3PY -0.00372 0.00571 0.01239 0.02238 -0.06555 152 3PZ 0.02158 0.00296 0.02965 0.02887 -0.00565 153 4XX -0.00223 0.00087 0.00298 -0.00410 0.00549 154 4YY 0.00065 -0.00174 -0.00995 0.00229 -0.00561 155 4ZZ 0.00226 -0.00030 0.00047 -0.00252 0.00506 156 4XY 0.00133 0.00343 0.01059 0.00299 -0.00309 157 4XZ -0.00190 0.00067 -0.00117 0.00424 -0.00524 158 4YZ 0.00131 -0.00269 -0.00969 -0.00193 0.00306 159 15 C 1S -0.00222 -0.00273 0.00960 -0.00959 0.01083 160 2S 0.00577 0.00440 -0.02803 0.02076 -0.02590 161 2PX 0.05100 0.04847 0.17799 -0.04653 0.01782 162 2PY 0.01150 0.01042 0.02252 -0.09105 0.20098 163 2PZ 0.03494 -0.03605 -0.15537 0.06306 -0.02324 164 3S 0.00526 0.01318 -0.00324 0.04659 -0.03005 165 3PX 0.02587 0.01315 0.03337 -0.01971 0.00484 166 3PY 0.00372 0.00571 0.01239 -0.02238 0.06555 167 3PZ 0.02158 -0.00296 -0.02965 0.02887 -0.00565 168 4XX -0.00223 -0.00087 -0.00298 -0.00410 0.00549 169 4YY 0.00065 0.00174 0.00995 0.00229 -0.00561 170 4ZZ 0.00226 0.00030 -0.00047 -0.00252 0.00506 171 4XY -0.00133 0.00343 0.01059 -0.00299 0.00309 172 4XZ -0.00190 -0.00067 0.00117 0.00424 -0.00524 173 4YZ -0.00131 -0.00269 -0.00969 0.00193 -0.00306 174 16 C 1S -0.00072 0.00777 0.02816 0.01594 0.00199 175 2S 0.00333 -0.01612 -0.06584 -0.03382 -0.00184 176 2PX 0.03353 -0.02925 -0.13593 0.06402 0.03568 177 2PY 0.01807 0.02763 0.21807 0.06775 -0.08006 178 2PZ 0.04605 0.02791 0.08077 -0.03468 -0.01789 179 3S -0.00953 -0.03793 -0.10649 -0.06614 -0.01883 180 3PX 0.01745 -0.01626 -0.06133 0.00921 0.02126 181 3PY 0.00778 0.00473 0.07980 0.02830 -0.01921 182 3PZ 0.02565 0.00771 0.02466 -0.00191 -0.01153 183 4XX 0.00117 0.00041 -0.00349 0.00322 0.00142 184 4YY 0.00052 0.00184 0.01374 -0.00302 -0.00518 185 4ZZ -0.00241 -0.00052 -0.00162 0.00357 0.00174 186 4XY -0.00177 0.00080 0.00194 -0.00742 0.00499 187 4XZ 0.00170 0.00023 0.00370 0.00298 0.00104 188 4YZ -0.00140 -0.00020 0.00273 0.00366 -0.00548 189 17 H 1S 0.01390 -0.01586 -0.13248 0.01572 -0.06304 190 2S 0.01402 -0.02909 -0.12913 0.02990 -0.05794 191 18 H 1S 0.01257 -0.03987 -0.12749 -0.06747 0.08309 192 2S 0.00861 -0.03552 -0.12829 -0.06588 0.08139 193 19 H 1S 0.01257 0.03987 0.12748 -0.06747 0.08309 194 2S 0.00861 0.03552 0.12829 -0.06589 0.08139 195 20 H 1S 0.01389 0.01586 0.13249 0.01571 -0.06304 196 2S 0.01402 0.02909 0.12914 0.02989 -0.05794 197 21 C 1S 0.00825 0.00000 0.00000 0.02008 -0.00871 198 2S -0.02020 0.00000 0.00000 -0.04641 0.01563 199 2PX 0.11685 0.00000 0.00001 0.07935 0.11687 200 2PY 0.00000 0.00510 -0.07117 0.00000 0.00000 201 2PZ 0.01890 0.00000 0.00001 0.20671 -0.04147 202 3S -0.01545 0.00000 0.00000 -0.07362 0.05356 203 3PX 0.05162 0.00000 0.00000 0.06759 0.04861 204 3PY 0.00000 0.01206 -0.01062 0.00000 0.00000 205 3PZ -0.00461 0.00000 0.00000 0.08121 -0.04052 206 4XX -0.00236 0.00000 0.00000 0.00622 -0.00487 207 4YY 0.00150 0.00000 0.00000 -0.00529 -0.00183 208 4ZZ 0.00025 0.00000 0.00000 0.00396 0.00368 209 4XY 0.00000 -0.00164 -0.00808 0.00000 0.00000 210 4XZ 0.00532 0.00000 0.00000 0.00833 0.00465 211 4YZ 0.00000 0.00075 0.00763 0.00000 0.00000 212 22 H 1S -0.07183 0.00000 0.00000 -0.00808 -0.06917 213 2S -0.05099 0.00000 0.00000 0.04040 -0.06093 214 23 H 1S 0.04581 0.00000 0.00001 0.12191 0.03556 215 2S 0.04286 0.00000 0.00000 0.10898 0.03570 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 -0.00412 0.00430 -0.00516 -0.01327 0.00737 2 2S 0.01208 -0.00970 0.00958 0.02126 -0.01426 3 2PX -0.00177 -0.05222 -0.04312 -0.12776 0.04880 4 2PY -0.08357 -0.07065 0.00623 0.00852 -0.00378 5 2PZ -0.02459 -0.00118 0.09494 0.06778 -0.02432 6 3S 0.00461 -0.02647 0.00820 0.10256 -0.03977 7 3PX -0.01427 -0.03552 -0.01562 -0.05067 0.02693 8 3PY -0.01751 -0.02161 -0.00940 -0.06122 0.02495 9 3PZ -0.00824 0.00745 0.05745 0.02083 -0.00935 10 4XX -0.00381 -0.00325 0.00464 0.00073 -0.00085 11 4YY 0.00341 0.00163 0.00009 -0.00227 0.00165 12 4ZZ -0.00128 0.00080 -0.00381 0.00235 -0.00134 13 4XY 0.00171 0.00036 -0.00331 -0.01274 0.00516 14 4XZ 0.00227 0.00225 0.00005 -0.00381 0.00217 15 4YZ -0.00041 -0.00065 0.00918 0.00645 -0.00269 16 2 H 1S -0.03386 -0.00981 0.06326 0.10724 -0.04444 17 2S -0.04077 -0.01748 0.05319 0.09861 -0.03888 18 3 C 1S -0.00412 0.00430 0.00516 0.01327 -0.00737 19 2S 0.01208 -0.00970 -0.00958 -0.02126 0.01426 20 2PX -0.00177 -0.05221 0.04314 0.12776 -0.04880 21 2PY 0.08357 0.07065 0.00620 0.00852 -0.00378 22 2PZ -0.02460 -0.00121 -0.09494 -0.06777 0.02432 23 3S 0.00461 -0.02647 -0.00819 -0.10256 0.03977 24 3PX -0.01427 -0.03551 0.01563 0.05067 -0.02693 25 3PY 0.01751 0.02161 -0.00941 -0.06122 0.02495 26 3PZ -0.00825 0.00743 -0.05745 -0.02083 0.00935 27 4XX -0.00381 -0.00325 -0.00464 -0.00074 0.00085 28 4YY 0.00341 0.00163 -0.00009 0.00227 -0.00165 29 4ZZ -0.00128 0.00080 0.00381 -0.00235 0.00134 30 4XY -0.00171 -0.00036 -0.00331 -0.01274 0.00516 31 4XZ 0.00227 0.00225 -0.00005 0.00381 -0.00217 32 4YZ 0.00041 0.00065 0.00918 0.00645 -0.00269 33 4 H 1S -0.03386 -0.00983 -0.06325 -0.10724 0.04444 34 2S -0.04077 -0.01749 -0.05318 -0.09861 0.03888 35 5 C 1S -0.00033 -0.00190 -0.00078 0.00108 -0.00619 36 2S -0.00074 0.00272 0.00298 -0.00454 0.01427 37 2PX -0.03019 -0.03658 -0.20801 -0.08523 0.05426 38 2PY -0.08854 -0.09281 0.04281 -0.01097 0.02812 39 2PZ 0.00809 -0.07713 -0.11705 0.19902 -0.08968 40 3S 0.00371 0.00327 -0.00630 0.01497 0.03036 41 3PX 0.00480 -0.02267 -0.08772 0.00263 0.01131 42 3PY 0.00424 0.02458 -0.00403 0.01335 0.01633 43 3PZ 0.00363 -0.03112 -0.08195 0.07488 -0.03846 44 4XX -0.00377 -0.00567 0.00153 -0.00011 0.00032 45 4YY 0.00496 0.00598 -0.00262 0.00121 0.00019 46 4ZZ -0.00436 -0.00460 0.00165 -0.00046 -0.00043 47 4XY -0.00043 0.00478 0.00682 -0.00170 -0.00084 48 4XZ 0.00270 0.00437 0.00102 -0.00142 0.00037 49 4YZ -0.00059 0.00159 0.00866 -0.00769 0.00361 50 6 C 1S -0.00471 -0.00377 -0.00346 -0.01253 0.01469 51 2S 0.01403 0.01247 0.00363 0.02424 -0.02265 52 2PX 0.02733 -0.04078 0.01430 0.12012 -0.07599 53 2PY 0.09190 0.14865 0.00192 -0.00840 0.01159 54 2PZ -0.01497 0.01849 -0.09999 -0.07648 0.06373 55 3S -0.00575 0.00155 0.03817 0.03492 -0.09522 56 3PX 0.01689 -0.00706 -0.01021 0.07780 -0.02414 57 3PY 0.02959 0.04096 0.03066 0.02277 -0.03366 58 3PZ -0.01886 -0.00913 -0.03193 -0.03945 0.00953 59 4XX -0.00409 -0.00077 0.00279 -0.00274 0.00326 60 4YY 0.00393 0.00502 -0.00166 -0.00192 0.00193 61 4ZZ -0.00070 -0.00672 -0.00108 0.00556 -0.00443 62 4XY 0.00009 0.00007 -0.00218 -0.01084 0.00553 63 4XZ 0.00225 0.00376 -0.00024 -0.00274 0.00135 64 4YZ -0.00094 -0.00131 0.00930 0.00619 -0.00598 65 7 H 1S -0.01359 -0.06533 0.05999 0.09678 -0.07603 66 2S -0.02451 -0.07017 0.06331 0.07598 -0.06864 67 8 C 1S -0.00471 -0.00377 0.00346 0.01253 -0.01469 68 2S 0.01403 0.01247 -0.00363 -0.02424 0.02265 69 2PX 0.02733 -0.04079 -0.01429 -0.12012 0.07599 70 2PY -0.09190 -0.14865 0.00197 -0.00840 0.01159 71 2PZ -0.01497 0.01853 0.09999 0.07648 -0.06373 72 3S -0.00575 0.00154 -0.03817 -0.03492 0.09522 73 3PX 0.01689 -0.00705 0.01021 -0.07780 0.02414 74 3PY -0.02959 -0.04095 0.03068 0.02277 -0.03366 75 3PZ -0.01885 -0.00913 0.03194 0.03945 -0.00953 76 4XX -0.00409 -0.00077 -0.00279 0.00274 -0.00326 77 4YY 0.00393 0.00502 0.00166 0.00192 -0.00193 78 4ZZ -0.00070 -0.00672 0.00108 -0.00556 0.00443 79 4XY -0.00009 -0.00007 -0.00218 -0.01084 0.00553 80 4XZ 0.00225 0.00376 0.00024 0.00274 -0.00135 81 4YZ 0.00094 0.00132 0.00930 0.00619 -0.00598 82 9 H 1S -0.01359 -0.06535 -0.05997 -0.09678 0.07603 83 2S -0.02452 -0.07019 -0.06329 -0.07599 0.06864 84 10 C 1S -0.00033 -0.00190 0.00078 -0.00108 0.00619 85 2S -0.00074 0.00272 -0.00298 0.00453 -0.01427 86 2PX -0.03017 -0.03652 0.20803 0.08523 -0.05426 87 2PY 0.08854 0.09282 0.04277 -0.01097 0.02812 88 2PZ 0.00810 -0.07709 0.11708 -0.19902 0.08968 89 3S 0.00371 0.00328 0.00630 -0.01497 -0.03036 90 3PX 0.00481 -0.02264 0.08773 -0.00263 -0.01131 91 3PY -0.00424 -0.02458 -0.00402 0.01335 0.01633 92 3PZ 0.00363 -0.03110 0.08196 -0.07487 0.03846 93 4XX -0.00377 -0.00568 -0.00153 0.00010 -0.00032 94 4YY 0.00496 0.00599 0.00262 -0.00121 -0.00019 95 4ZZ -0.00436 -0.00461 -0.00165 0.00046 0.00043 96 4XY 0.00044 -0.00478 0.00682 -0.00170 -0.00084 97 4XZ 0.00270 0.00437 -0.00102 0.00142 -0.00037 98 4YZ 0.00059 -0.00158 0.00866 -0.00769 0.00361 99 11 O 1S 0.01432 0.01440 -0.00137 0.00037 -0.00101 100 2S -0.02885 -0.03000 0.00486 -0.00248 0.00066 101 2PX 0.00285 -0.03264 -0.21609 -0.05119 0.05205 102 2PY 0.11640 0.14642 0.01174 -0.00880 -0.01361 103 2PZ 0.02496 -0.05884 -0.16059 0.21694 -0.10457 104 3S -0.05862 -0.04986 -0.00522 0.00744 0.00972 105 3PX 0.00039 -0.02006 -0.13496 -0.03054 0.03307 106 3PY 0.06475 0.08640 0.00502 -0.00476 -0.00725 107 3PZ 0.01580 -0.03624 -0.10065 0.13737 -0.06466 108 4XX -0.00024 -0.00157 -0.00131 -0.00098 0.00061 109 4YY 0.00683 0.00873 0.00307 -0.00184 -0.00119 110 4ZZ -0.00022 -0.00171 -0.00049 0.00146 -0.00127 111 4XY -0.00031 -0.00180 -0.01497 -0.00381 0.00313 112 4XZ 0.00060 -0.00008 -0.00200 0.00117 -0.00021 113 4YZ 0.00168 -0.00416 -0.01069 0.01464 -0.00681 114 12 O 1S 0.01432 0.01440 0.00137 -0.00037 0.00101 115 2S -0.02885 -0.03000 -0.00485 0.00248 -0.00066 116 2PX 0.00286 -0.03258 0.21610 0.05119 -0.05205 117 2PY -0.11640 -0.14642 0.01179 -0.00880 -0.01361 118 2PZ 0.02497 -0.05879 0.16061 -0.21694 0.10457 119 3S -0.05862 -0.04985 0.00524 -0.00744 -0.00972 120 3PX 0.00040 -0.02002 0.13497 0.03054 -0.03307 121 3PY -0.06475 -0.08640 0.00505 -0.00476 -0.00725 122 3PZ 0.01581 -0.03621 0.10066 -0.13737 0.06466 123 4XX -0.00024 -0.00157 0.00131 0.00098 -0.00061 124 4YY 0.00683 0.00873 -0.00308 0.00184 0.00119 125 4ZZ -0.00022 -0.00171 0.00049 -0.00146 0.00127 126 4XY 0.00031 0.00180 -0.01497 -0.00381 0.00313 127 4XZ 0.00060 -0.00008 0.00200 -0.00117 0.00021 128 4YZ -0.00168 0.00416 -0.01069 0.01464 -0.00681 129 13 C 1S -0.00922 0.00480 0.00447 0.00273 -0.00257 130 2S 0.01085 -0.01297 -0.01128 -0.00870 -0.00201 131 2PX -0.13819 0.08951 -0.04099 0.01878 0.11595 132 2PY -0.08442 -0.11475 -0.12579 -0.09484 -0.19341 133 2PZ 0.16833 -0.10289 0.05823 -0.11243 -0.16184 134 3S 0.07768 -0.00605 -0.00940 -0.00153 0.05800 135 3PX -0.04449 0.03130 0.01128 0.00326 0.05941 136 3PY -0.00246 -0.02230 -0.05117 -0.03035 -0.04332 137 3PZ 0.07269 -0.02622 0.01870 -0.05727 -0.07595 138 4XX -0.00754 0.00399 -0.00434 -0.00022 0.00009 139 4YY 0.01359 -0.00385 0.00862 0.00358 0.00830 140 4ZZ -0.00509 0.00079 -0.00091 -0.00144 -0.00777 141 4XY 0.00427 0.00477 -0.00041 0.00241 0.00544 142 4XZ 0.00578 -0.00562 0.00080 0.00181 0.00015 143 4YZ -0.00243 -0.00949 -0.00229 -0.00514 -0.01007 144 14 C 1S 0.00198 -0.02063 0.01116 0.00863 0.00894 145 2S -0.00108 0.04962 -0.02495 -0.01692 -0.00753 146 2PX 0.13350 -0.12193 0.07234 -0.06104 -0.10744 147 2PY 0.27877 0.08478 -0.00285 0.00607 -0.00240 148 2PZ -0.03769 0.08813 -0.05295 0.01553 0.08070 149 3S -0.02254 0.06026 -0.04831 -0.04389 -0.12356 150 3PX 0.06919 -0.04369 0.02321 -0.02425 -0.00232 151 3PY 0.10142 0.01392 -0.00407 -0.01216 -0.05005 152 3PZ -0.02060 0.02912 -0.02345 -0.00397 0.00310 153 4XX -0.00745 -0.00380 -0.00194 0.00109 -0.00027 154 4YY 0.00765 0.00372 0.00504 0.00115 0.00240 155 4ZZ -0.00143 -0.00665 0.00025 -0.00278 -0.00285 156 4XY 0.00315 0.00381 -0.00363 0.00617 0.01133 157 4XZ 0.00515 0.00528 0.00148 0.00323 0.00403 158 4YZ -0.00150 -0.00457 0.00262 -0.00285 -0.00900 159 15 C 1S 0.00198 -0.02063 -0.01115 -0.00863 -0.00894 160 2S -0.00108 0.04963 0.02494 0.01692 0.00753 161 2PX 0.13349 -0.12195 -0.07232 0.06104 0.10744 162 2PY -0.27877 -0.08478 -0.00280 0.00607 -0.00240 163 2PZ -0.03768 0.08814 0.05293 -0.01552 -0.08070 164 3S -0.02254 0.06027 0.04829 0.04389 0.12356 165 3PX 0.06918 -0.04369 -0.02320 0.02425 0.00232 166 3PY -0.10142 -0.01392 -0.00405 -0.01216 -0.05005 167 3PZ -0.02060 0.02912 0.02345 0.00397 -0.00310 168 4XX -0.00745 -0.00380 0.00194 -0.00109 0.00027 169 4YY 0.00765 0.00372 -0.00504 -0.00115 -0.00240 170 4ZZ -0.00143 -0.00665 -0.00025 0.00278 0.00285 171 4XY -0.00315 -0.00381 -0.00363 0.00617 0.01133 172 4XZ 0.00515 0.00528 -0.00148 -0.00323 -0.00403 173 4YZ 0.00150 0.00457 0.00262 -0.00285 -0.00900 174 16 C 1S -0.00922 0.00480 -0.00447 -0.00273 0.00257 175 2S 0.01085 -0.01297 0.01128 0.00870 0.00201 176 2PX -0.13819 0.08953 0.04097 -0.01878 -0.11595 177 2PY 0.08440 0.11471 -0.12584 -0.09484 -0.19340 178 2PZ 0.16833 -0.10291 -0.05821 0.11243 0.16184 179 3S 0.07769 -0.00605 0.00940 0.00153 -0.05800 180 3PX -0.04449 0.03129 -0.01129 -0.00326 -0.05941 181 3PY 0.00245 0.02229 -0.05118 -0.03035 -0.04332 182 3PZ 0.07269 -0.02622 -0.01870 0.05727 0.07595 183 4XX -0.00753 0.00400 0.00434 0.00022 -0.00009 184 4YY 0.01359 -0.00385 -0.00862 -0.00358 -0.00830 185 4ZZ -0.00509 0.00079 0.00091 0.00144 0.00777 186 4XY -0.00427 -0.00477 -0.00041 0.00241 0.00544 187 4XZ 0.00578 -0.00562 -0.00080 -0.00181 -0.00015 188 4YZ 0.00243 0.00949 -0.00229 -0.00514 -0.01007 189 17 H 1S 0.11137 0.03821 0.08531 0.04241 0.09674 190 2S 0.09829 0.03385 0.05940 0.04725 0.09825 191 18 H 1S -0.04767 -0.09441 0.03840 -0.04821 -0.09578 192 2S -0.04905 -0.10183 0.04085 -0.04563 -0.11135 193 19 H 1S -0.04767 -0.09443 -0.03836 0.04821 0.09578 194 2S -0.04906 -0.10184 -0.04081 0.04562 0.11135 195 20 H 1S 0.11135 0.03819 -0.08533 -0.04241 -0.09675 196 2S 0.09828 0.03383 -0.05942 -0.04725 -0.09825 197 21 C 1S 0.01190 0.01588 0.00000 0.00000 0.00000 198 2S -0.01829 -0.03813 0.00001 0.00000 0.00000 199 2PX 0.09807 -0.21480 0.00003 0.00000 0.00000 200 2PY 0.00000 0.00000 0.02922 0.17799 0.32841 201 2PZ -0.09380 0.23172 -0.00003 0.00000 0.00000 202 3S -0.08343 -0.08306 0.00002 0.00000 0.00000 203 3PX 0.03162 -0.10664 0.00002 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00135 0.08318 0.17473 205 3PZ -0.02242 0.11669 -0.00002 0.00000 0.00000 206 4XX -0.00943 0.01601 0.00000 0.00000 0.00000 207 4YY 0.01295 -0.00956 0.00000 0.00000 0.00000 208 4ZZ -0.00534 -0.00040 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00158 0.00476 0.00450 210 4XZ 0.00533 -0.00514 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 -0.00397 -0.00513 -0.01171 212 22 H 1S -0.10255 0.16998 -0.00002 0.00000 0.00000 213 2S -0.09309 0.14411 -0.00002 0.00000 0.00000 214 23 H 1S -0.02220 0.02047 0.00000 0.00000 0.00000 215 2S -0.01466 0.02542 0.00000 0.00000 0.00000 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 0.00149 -0.00126 -0.02467 -0.01620 -0.00579 2 2S -0.00502 0.00186 0.05213 0.03279 0.01322 3 2PX 0.06097 0.20298 0.08495 0.06557 -0.02640 4 2PY -0.00644 0.01328 0.03024 0.14137 0.01970 5 2PZ 0.08654 0.25865 -0.05947 -0.06102 -0.08578 6 3S -0.00166 0.01716 0.17526 0.11420 0.04007 7 3PX 0.03975 0.14217 0.04590 0.04286 -0.01923 8 3PY -0.00260 0.00899 -0.03229 0.06435 0.01425 9 3PZ 0.05521 0.18167 -0.02126 -0.03879 -0.05953 10 4XX 0.00049 0.00141 -0.00076 0.00188 0.00154 11 4YY 0.00006 -0.00037 -0.00238 -0.00376 0.00008 12 4ZZ -0.00068 -0.00041 -0.00035 0.00156 -0.00152 13 4XY -0.00226 -0.00956 0.00646 -0.00151 0.00165 14 4XZ 0.00137 0.00023 -0.00053 -0.00205 0.00103 15 4YZ -0.00308 -0.01268 -0.00368 0.00255 0.00197 16 2 H 1S -0.00382 0.00039 -0.03853 0.02169 -0.00483 17 2S -0.00291 -0.00253 -0.07254 -0.00570 -0.01360 18 3 C 1S 0.00149 -0.00126 0.02467 -0.01621 -0.00579 19 2S -0.00502 0.00186 -0.05211 0.03281 0.01322 20 2PX 0.06097 0.20297 -0.08493 0.06560 -0.02639 21 2PY 0.00644 -0.01328 0.03019 -0.14138 -0.01970 22 2PZ 0.08654 0.25865 0.05944 -0.06104 -0.08579 23 3S -0.00165 0.01716 -0.17521 0.11427 0.04009 24 3PX 0.03975 0.14217 -0.04588 0.04288 -0.01922 25 3PY 0.00260 -0.00900 -0.03231 -0.06434 -0.01425 26 3PZ 0.05521 0.18167 0.02124 -0.03880 -0.05953 27 4XX 0.00049 0.00141 0.00076 0.00188 0.00154 28 4YY 0.00006 -0.00037 0.00238 -0.00376 0.00008 29 4ZZ -0.00068 -0.00041 0.00035 0.00156 -0.00152 30 4XY 0.00226 0.00956 0.00646 0.00150 -0.00165 31 4XZ 0.00137 0.00023 0.00053 -0.00206 0.00103 32 4YZ 0.00308 0.01268 -0.00368 -0.00255 -0.00197 33 4 H 1S -0.00382 0.00039 0.03853 0.02167 -0.00483 34 2S -0.00291 -0.00253 0.07254 -0.00573 -0.01361 35 5 C 1S 0.00318 -0.00002 0.00346 0.00091 0.00289 36 2S -0.00752 0.00326 -0.00997 -0.00302 -0.00220 37 2PX 0.00748 -0.03055 0.05895 -0.05252 -0.00990 38 2PY -0.02021 0.00385 -0.01387 -0.00111 -0.00052 39 2PZ 0.02301 -0.03495 -0.04637 0.03388 0.02442 40 3S -0.01499 -0.00567 -0.01060 0.00294 -0.02758 41 3PX 0.00593 -0.02047 -0.00041 0.04549 0.00108 42 3PY -0.00848 -0.00628 -0.00782 0.00405 -0.02405 43 3PZ 0.02293 -0.03990 -0.00691 -0.03278 0.00343 44 4XX -0.00705 -0.00597 0.00681 -0.00476 0.01238 45 4YY 0.00204 -0.00205 -0.00225 0.00189 -0.00470 46 4ZZ 0.00528 0.00911 -0.00531 0.00272 -0.00542 47 4XY -0.00034 0.01204 0.02349 -0.02615 0.00189 48 4XZ -0.00199 -0.00028 0.00445 -0.00088 0.00304 49 4YZ -0.00295 0.01879 -0.00672 0.01587 0.01354 50 6 C 1S -0.00376 0.00171 -0.02202 0.01776 -0.01663 51 2S 0.01218 -0.00522 0.03694 -0.03350 0.02868 52 2PX -0.07545 0.01725 -0.00836 0.05848 0.23336 53 2PY 0.02551 0.00571 -0.01572 0.14459 -0.06183 54 2PZ -0.13453 0.01349 0.16650 -0.06613 0.17928 55 3S 0.00419 -0.00958 0.19024 -0.12729 0.09255 56 3PX -0.06372 0.01748 0.01695 0.03854 0.16103 57 3PY 0.00945 0.00717 0.04330 0.07395 -0.05134 58 3PZ -0.08007 0.02569 0.11864 -0.04696 0.14855 59 4XX -0.00481 0.00006 0.00249 -0.00125 -0.00582 60 4YY 0.00159 -0.00055 -0.00324 0.00460 0.00031 61 4ZZ 0.00309 0.00049 -0.00191 -0.00166 0.00260 62 4XY -0.00345 0.00173 0.00110 0.00068 0.00823 63 4XZ -0.00257 0.00017 0.00520 0.00153 -0.00221 64 4YZ -0.00159 0.00186 -0.01135 -0.00193 0.00808 65 7 H 1S 0.03793 -0.00391 -0.08173 -0.01822 0.01596 66 2S 0.02331 0.01345 -0.10516 0.01158 0.00397 67 8 C 1S -0.00376 0.00171 0.02202 0.01775 -0.01663 68 2S 0.01219 -0.00522 -0.03695 -0.03348 0.02868 69 2PX -0.07545 0.01725 0.00840 0.05848 0.23336 70 2PY -0.02551 -0.00571 -0.01577 -0.14459 0.06183 71 2PZ -0.13453 0.01349 -0.16651 -0.06607 0.17929 72 3S 0.00419 -0.00959 -0.19027 -0.12722 0.09257 73 3PX -0.06372 0.01748 -0.01692 0.03855 0.16103 74 3PY -0.00945 -0.00717 0.04328 -0.07397 0.05133 75 3PZ -0.08007 0.02568 -0.11865 -0.04692 0.14856 76 4XX -0.00481 0.00006 -0.00249 -0.00125 -0.00582 77 4YY 0.00159 -0.00055 0.00324 0.00460 0.00031 78 4ZZ 0.00309 0.00049 0.00191 -0.00167 0.00260 79 4XY 0.00345 -0.00173 0.00110 -0.00068 -0.00823 80 4XZ -0.00257 0.00017 -0.00520 0.00154 -0.00221 81 4YZ 0.00159 -0.00186 -0.01135 0.00194 -0.00808 82 9 H 1S 0.03793 -0.00391 0.08172 -0.01825 0.01596 83 2S 0.02331 0.01345 0.10516 0.01154 0.00396 84 10 C 1S 0.00318 -0.00002 -0.00346 0.00091 0.00289 85 2S -0.00752 0.00325 0.00997 -0.00302 -0.00220 86 2PX 0.00748 -0.03055 -0.05897 -0.05250 -0.00989 87 2PY 0.02021 -0.00385 -0.01387 0.00111 0.00052 88 2PZ 0.02301 -0.03495 0.04638 0.03387 0.02441 89 3S -0.01499 -0.00567 0.01060 0.00293 -0.02758 90 3PX 0.00593 -0.02047 0.00042 0.04549 0.00108 91 3PY 0.00848 0.00628 -0.00782 -0.00405 0.02405 92 3PZ 0.02293 -0.03990 0.00690 -0.03279 0.00343 93 4XX -0.00705 -0.00597 -0.00681 -0.00476 0.01238 94 4YY 0.00204 -0.00205 0.00225 0.00189 -0.00470 95 4ZZ 0.00528 0.00911 0.00531 0.00271 -0.00542 96 4XY 0.00034 -0.01204 0.02350 0.02614 -0.00189 97 4XZ -0.00199 -0.00028 -0.00445 -0.00087 0.00304 98 4YZ 0.00295 -0.01879 -0.00673 -0.01586 -0.01354 99 11 O 1S 0.00079 -0.00005 -0.00015 0.00007 0.00089 100 2S -0.00008 0.00233 0.00162 -0.00100 -0.00097 101 2PX 0.02115 -0.13855 -0.28100 0.36090 -0.04744 102 2PY 0.01200 0.03451 0.02932 -0.01507 -0.00191 103 2PZ 0.05081 -0.22520 0.06644 -0.22533 -0.13314 104 3S -0.00767 -0.00809 -0.00409 0.00331 -0.01281 105 3PX 0.01301 -0.09986 -0.20405 0.25759 -0.03767 106 3PY 0.00581 0.02215 0.01937 -0.01011 -0.00227 107 3PZ 0.03192 -0.15989 0.04764 -0.15897 -0.10230 108 4XX -0.00029 -0.00124 -0.00068 0.00176 0.00143 109 4YY 0.00058 0.00303 0.00203 -0.00121 0.00077 110 4ZZ 0.00133 -0.00009 -0.00017 -0.00134 -0.00090 111 4XY 0.00123 -0.00684 -0.00981 0.01260 -0.00255 112 4XZ 0.00018 -0.00183 -0.00025 0.00026 -0.00081 113 4YZ 0.00270 -0.01074 0.00133 -0.00776 -0.00515 114 12 O 1S 0.00079 -0.00005 0.00015 0.00007 0.00089 115 2S -0.00008 0.00233 -0.00162 -0.00100 -0.00097 116 2PX 0.02115 -0.13855 0.28113 0.36080 -0.04748 117 2PY -0.01200 -0.03451 0.02932 0.01504 0.00191 118 2PZ 0.05081 -0.22520 -0.06654 -0.22531 -0.13312 119 3S -0.00766 -0.00809 0.00410 0.00331 -0.01281 120 3PX 0.01301 -0.09986 0.20414 0.25752 -0.03769 121 3PY -0.00581 -0.02215 0.01937 0.01010 0.00227 122 3PZ 0.03192 -0.15989 -0.04771 -0.15896 -0.10229 123 4XX -0.00029 -0.00124 0.00068 0.00176 0.00143 124 4YY 0.00058 0.00303 -0.00203 -0.00121 0.00077 125 4ZZ 0.00133 -0.00009 0.00016 -0.00134 -0.00090 126 4XY -0.00123 0.00684 -0.00981 -0.01260 0.00255 127 4XZ 0.00018 -0.00183 0.00025 0.00027 -0.00081 128 4YZ -0.00270 0.01074 0.00134 0.00776 0.00515 129 13 C 1S -0.00224 -0.00310 -0.01208 -0.00010 0.01469 130 2S 0.01421 0.00728 0.02581 0.00118 -0.03278 131 2PX 0.10494 -0.02257 -0.16669 0.00661 0.01495 132 2PY 0.02170 -0.00794 0.03033 0.00403 -0.01722 133 2PZ 0.10358 0.00533 -0.14453 0.01382 -0.01561 134 3S -0.04558 0.01530 0.05106 -0.00918 -0.07308 135 3PX 0.05190 0.00341 -0.14302 0.00764 0.01331 136 3PY -0.02446 -0.01533 -0.01447 0.01607 -0.04168 137 3PZ 0.06368 0.00979 -0.08556 -0.00231 -0.00975 138 4XX 0.00929 -0.00292 -0.00178 -0.00191 0.01477 139 4YY -0.00009 0.00170 -0.00177 0.00109 -0.00687 140 4ZZ -0.01133 0.00192 0.00317 0.00013 -0.00263 141 4XY -0.00003 0.00053 -0.00161 -0.00035 0.00042 142 4XZ -0.00332 0.00154 0.00062 -0.00140 0.00968 143 4YZ 0.00397 -0.00065 -0.00034 -0.00028 0.00033 144 14 C 1S -0.00620 0.00380 0.00257 0.00143 -0.00152 145 2S 0.01259 -0.00786 -0.00830 -0.00214 -0.00386 146 2PX 0.13627 -0.01019 -0.05243 -0.01117 0.16238 147 2PY -0.05207 0.01510 0.00851 -0.00320 -0.01330 148 2PZ 0.20496 -0.04186 -0.09455 -0.01609 0.19272 149 3S 0.03474 -0.01758 0.04075 -0.01396 0.03320 150 3PX 0.07965 -0.01086 -0.06271 -0.00526 0.11111 151 3PY -0.02173 0.01153 0.01859 0.00096 -0.00665 152 3PZ 0.13247 -0.03007 -0.04920 -0.01311 0.14648 153 4XX -0.00499 0.00089 0.00716 -0.00023 -0.00036 154 4YY -0.00055 0.00010 -0.00064 -0.00006 -0.00136 155 4ZZ 0.00521 -0.00007 -0.00524 0.00073 -0.00062 156 4XY 0.00458 -0.00084 0.00270 -0.00108 0.00738 157 4XZ -0.00450 0.00063 0.00082 0.00001 0.00263 158 4YZ 0.00671 -0.00098 0.00649 -0.00074 0.00699 159 15 C 1S -0.00620 0.00380 -0.00257 0.00143 -0.00152 160 2S 0.01259 -0.00786 0.00830 -0.00215 -0.00386 161 2PX 0.13627 -0.01019 0.05244 -0.01119 0.16238 162 2PY 0.05207 -0.01510 0.00851 0.00320 0.01330 163 2PZ 0.20496 -0.04186 0.09456 -0.01612 0.19272 164 3S 0.03473 -0.01758 -0.04076 -0.01395 0.03320 165 3PX 0.07965 -0.01086 0.06271 -0.00528 0.11111 166 3PY 0.02174 -0.01153 0.01859 -0.00096 0.00665 167 3PZ 0.13247 -0.03007 0.04920 -0.01313 0.14648 168 4XX -0.00499 0.00089 -0.00716 -0.00023 -0.00036 169 4YY -0.00055 0.00010 0.00064 -0.00006 -0.00136 170 4ZZ 0.00521 -0.00007 0.00524 0.00073 -0.00062 171 4XY -0.00458 0.00084 0.00270 0.00107 -0.00738 172 4XZ -0.00450 0.00063 -0.00082 0.00001 0.00263 173 4YZ -0.00671 0.00098 0.00649 0.00074 -0.00699 174 16 C 1S -0.00224 -0.00310 0.01208 -0.00010 0.01469 175 2S 0.01421 0.00728 -0.02581 0.00119 -0.03278 176 2PX 0.10494 -0.02257 0.16669 0.00655 0.01494 177 2PY -0.02170 0.00794 0.03033 -0.00404 0.01722 178 2PZ 0.10358 0.00533 0.14454 0.01376 -0.01562 179 3S -0.04558 0.01530 -0.05107 -0.00916 -0.07308 180 3PX 0.05190 0.00341 0.14302 0.00759 0.01331 181 3PY 0.02446 0.01533 -0.01447 -0.01607 0.04168 182 3PZ 0.06368 0.00979 0.08556 -0.00235 -0.00975 183 4XX 0.00929 -0.00292 0.00178 -0.00191 0.01477 184 4YY -0.00009 0.00170 0.00177 0.00108 -0.00687 185 4ZZ -0.01133 0.00192 -0.00317 0.00013 -0.00263 186 4XY 0.00003 -0.00053 -0.00161 0.00035 -0.00042 187 4XZ -0.00332 0.00154 -0.00061 -0.00140 0.00968 188 4YZ -0.00397 0.00065 -0.00034 0.00028 -0.00033 189 17 H 1S -0.00734 0.01187 -0.01804 0.00419 -0.02233 190 2S -0.01585 -0.01429 -0.06852 0.03521 -0.04382 191 18 H 1S 0.00655 0.00182 0.01348 0.00265 -0.00874 192 2S 0.01245 0.00354 0.02182 0.00432 -0.00909 193 19 H 1S 0.00655 0.00182 -0.01348 0.00265 -0.00874 194 2S 0.01245 0.00354 -0.02182 0.00433 -0.00908 195 20 H 1S -0.00734 0.01187 0.01804 0.00418 -0.02233 196 2S -0.01585 -0.01430 0.06853 0.03518 -0.04383 197 21 C 1S -0.00274 0.00847 0.00000 -0.00334 0.01662 198 2S 0.00118 -0.01607 0.00000 0.00668 -0.05136 199 2PX -0.16281 0.08121 0.00000 -0.00356 -0.01670 200 2PY 0.00000 0.00000 0.02129 0.00000 0.00000 201 2PZ -0.14229 -0.00200 0.00000 -0.01586 0.06220 202 3S 0.03592 -0.05125 0.00000 0.01393 -0.01111 203 3PX -0.04669 0.04566 0.00000 -0.00054 -0.00422 204 3PY 0.00000 0.00000 0.02629 0.00000 0.00000 205 3PZ -0.11016 -0.03205 0.00000 0.00025 -0.03602 206 4XX 0.00742 -0.00392 0.00000 -0.00066 0.00434 207 4YY 0.00390 0.00187 0.00000 0.00092 -0.00505 208 4ZZ -0.01369 0.00183 0.00000 -0.00141 0.00073 209 4XY 0.00000 0.00000 0.01059 0.00000 0.00000 210 4XZ -0.01986 0.00526 0.00000 -0.00144 0.00370 211 4YZ 0.00000 0.00000 0.00694 0.00000 0.00000 212 22 H 1S 0.10083 -0.04449 0.00000 0.00417 0.00708 213 2S 0.14072 0.01803 0.00000 0.00167 0.02450 214 23 H 1S -0.16757 0.03076 0.00000 -0.01162 0.02253 215 2S -0.16394 0.04603 0.00000 -0.02096 0.08077 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 0.02583 -0.00162 0.00340 0.00476 -0.00123 2 2S -0.05208 -0.00068 -0.00780 -0.01564 0.00458 3 2PX -0.08510 0.14137 -0.05273 0.13641 -0.08409 4 2PY -0.03269 0.00614 -0.00726 -0.01407 -0.01185 5 2PZ 0.05946 0.17839 -0.05798 0.20976 -0.08534 6 3S -0.19544 0.02021 -0.01505 0.01570 0.03481 7 3PX -0.04091 0.15903 -0.05835 0.22541 -0.10740 8 3PY 0.03914 0.01920 0.00543 -0.04874 0.00705 9 3PZ 0.02354 0.19071 -0.04499 0.27381 -0.10901 10 4XX 0.00102 0.00574 0.00727 0.00114 0.01503 11 4YY 0.00224 0.00068 -0.00043 -0.00138 0.00200 12 4ZZ 0.00139 -0.00800 -0.00608 0.00015 -0.01653 13 4XY -0.00621 0.00988 0.00372 0.00739 0.01198 14 4XZ -0.00050 0.00313 0.00249 -0.00107 0.00560 15 4YZ 0.00458 0.01089 0.00440 0.01284 0.01101 16 2 H 1S 0.04006 -0.00753 -0.00061 0.00818 -0.00902 17 2S 0.08149 -0.01741 -0.00062 0.05050 -0.05786 18 3 C 1S -0.02583 0.00162 0.00340 -0.00476 -0.00123 19 2S 0.05208 0.00068 -0.00780 0.01564 0.00458 20 2PX 0.08511 -0.14137 -0.05272 -0.13641 -0.08409 21 2PY -0.03269 0.00614 0.00726 -0.01406 0.01185 22 2PZ -0.05946 -0.17839 -0.05797 -0.20976 -0.08535 23 3S 0.19544 -0.02021 -0.01505 -0.01570 0.03481 24 3PX 0.04092 -0.15903 -0.05835 -0.22541 -0.10740 25 3PY 0.03914 0.01920 -0.00543 -0.04873 -0.00704 26 3PZ -0.02354 -0.19071 -0.04499 -0.27381 -0.10901 27 4XX -0.00102 -0.00574 0.00727 -0.00114 0.01503 28 4YY -0.00224 -0.00068 -0.00043 0.00137 0.00200 29 4ZZ -0.00139 0.00800 -0.00608 -0.00015 -0.01653 30 4XY -0.00621 0.00988 -0.00372 0.00739 -0.01198 31 4XZ 0.00050 -0.00313 0.00249 0.00107 0.00560 32 4YZ 0.00458 0.01089 -0.00440 0.01284 -0.01101 33 4 H 1S -0.04006 0.00753 -0.00061 -0.00818 -0.00902 34 2S -0.08149 0.01741 -0.00062 -0.05050 -0.05786 35 5 C 1S 0.00396 -0.00331 -0.00756 0.00921 0.00142 36 2S -0.01351 0.00856 0.02408 -0.02331 -0.01040 37 2PX -0.08417 -0.11935 0.10297 -0.03183 0.19127 38 2PY -0.00942 0.03387 0.00508 -0.02338 -0.04192 39 2PZ 0.06257 -0.19230 0.08898 0.03247 0.31040 40 3S 0.00739 0.03157 0.03797 -0.04168 0.02995 41 3PX -0.01024 -0.09621 0.09623 0.00147 0.25212 42 3PY 0.00459 0.02047 0.04887 0.04227 -0.07915 43 3PZ 0.00543 -0.13230 0.08533 0.01964 0.33904 44 4XX 0.00053 0.00322 0.00449 0.02231 -0.00185 45 4YY -0.00045 0.00456 -0.00091 -0.00260 -0.00033 46 4ZZ -0.00030 -0.00673 -0.00326 -0.01807 0.00289 47 4XY -0.01701 -0.01336 0.00626 -0.00339 0.00773 48 4XZ 0.00266 -0.00034 0.00033 0.00445 0.00304 49 4YZ 0.01994 -0.02037 0.00700 0.00210 0.00864 50 6 C 1S 0.02793 0.01035 -0.01065 -0.02833 0.01537 51 2S -0.05709 -0.01704 0.03660 0.05547 -0.02300 52 2PX 0.14244 -0.09309 0.06776 0.20338 -0.14225 53 2PY 0.04083 0.02113 -0.01030 -0.03902 0.05005 54 2PZ 0.02138 -0.06579 0.08548 0.16821 -0.11652 55 3S -0.20125 -0.06006 -0.02752 0.12549 -0.17796 56 3PX 0.09681 -0.07875 0.11623 0.28371 -0.19109 57 3PY -0.03321 -0.00035 0.01368 -0.11861 0.09249 58 3PZ 0.03697 -0.08737 0.10114 0.16479 -0.11830 59 4XX 0.00308 0.01076 -0.00866 -0.00665 -0.01327 60 4YY 0.00159 -0.00087 0.00268 -0.00207 0.00072 61 4ZZ 0.00344 -0.00574 0.00209 0.00099 0.01818 62 4XY -0.00889 0.00456 0.00618 -0.01023 -0.01367 63 4XZ 0.00529 0.00589 -0.01586 -0.00012 -0.00147 64 4YZ -0.00166 0.00369 0.00424 -0.00828 -0.01496 65 7 H 1S -0.00219 -0.01966 0.03005 -0.01441 0.01398 66 2S 0.04368 -0.03537 0.10961 -0.14036 0.13980 67 8 C 1S -0.02793 -0.01035 -0.01065 0.02832 0.01537 68 2S 0.05709 0.01704 0.03660 -0.05547 -0.02300 69 2PX -0.14245 0.09309 0.06777 -0.20338 -0.14225 70 2PY 0.04083 0.02112 0.01030 -0.03901 -0.05005 71 2PZ -0.02139 0.06579 0.08548 -0.16821 -0.11653 72 3S 0.20124 0.06006 -0.02752 -0.12548 -0.17797 73 3PX -0.09681 0.07875 0.11623 -0.28371 -0.19109 74 3PY -0.03321 -0.00035 -0.01368 -0.11861 -0.09249 75 3PZ -0.03698 0.08737 0.10114 -0.16478 -0.11832 76 4XX -0.00308 -0.01076 -0.00866 0.00665 -0.01327 77 4YY -0.00159 0.00087 0.00268 0.00207 0.00072 78 4ZZ -0.00344 0.00574 0.00209 -0.00099 0.01818 79 4XY -0.00889 0.00457 -0.00618 -0.01023 0.01367 80 4XZ -0.00529 -0.00589 -0.01586 0.00012 -0.00147 81 4YZ -0.00166 0.00369 -0.00424 -0.00828 0.01496 82 9 H 1S 0.00219 0.01967 0.03005 0.01440 0.01398 83 2S -0.04368 0.03537 0.10961 0.14036 0.13979 84 10 C 1S -0.00396 0.00331 -0.00756 -0.00921 0.00142 85 2S 0.01351 -0.00856 0.02408 0.02331 -0.01040 86 2PX 0.08417 0.11935 0.10297 0.03183 0.19127 87 2PY -0.00942 0.03386 -0.00508 -0.02338 0.04192 88 2PZ -0.06257 0.19230 0.08898 -0.03247 0.31040 89 3S -0.00738 -0.03157 0.03797 0.04168 0.02996 90 3PX 0.01024 0.09621 0.09623 -0.00147 0.25213 91 3PY 0.00459 0.02047 -0.04887 0.04227 0.07914 92 3PZ -0.00544 0.13230 0.08533 -0.01964 0.33903 93 4XX -0.00053 -0.00322 0.00449 -0.02231 -0.00186 94 4YY 0.00045 -0.00456 -0.00091 0.00260 -0.00033 95 4ZZ 0.00030 0.00673 -0.00326 0.01807 0.00289 96 4XY -0.01701 -0.01336 -0.00626 -0.00339 -0.00773 97 4XZ -0.00266 0.00033 0.00033 -0.00445 0.00304 98 4YZ 0.01994 -0.02037 -0.00700 0.00210 -0.00864 99 11 O 1S -0.00021 0.00108 -0.00186 -0.00105 0.00085 100 2S 0.00018 -0.00366 -0.00124 -0.00449 0.00442 101 2PX 0.18340 0.15889 -0.06168 0.02290 -0.12816 102 2PY 0.00333 -0.03589 0.00875 -0.00359 0.02873 103 2PZ -0.23347 0.22948 -0.07217 -0.01491 -0.20055 104 3S 0.00171 -0.00630 0.04387 0.04251 -0.03715 105 3PX 0.13570 0.14006 -0.06910 0.01675 -0.14829 106 3PY 0.00160 -0.03284 0.02379 0.00994 0.01857 107 3PZ -0.17190 0.20255 -0.07469 -0.01507 -0.22487 108 4XX 0.00129 0.00121 -0.00219 0.00142 0.00232 109 4YY 0.00008 -0.00168 -0.00076 -0.00138 -0.00005 110 4ZZ -0.00177 -0.00065 -0.00216 -0.00578 0.00284 111 4XY 0.00501 0.00203 0.00049 -0.00087 0.00163 112 4XZ 0.00004 0.00106 -0.00044 0.00078 0.00083 113 4YZ -0.00772 0.00269 0.00023 0.00084 0.00394 114 12 O 1S 0.00021 -0.00108 -0.00186 0.00105 0.00084 115 2S -0.00018 0.00366 -0.00124 0.00449 0.00442 116 2PX -0.18339 -0.15889 -0.06168 -0.02290 -0.12816 117 2PY 0.00334 -0.03589 -0.00874 -0.00359 -0.02873 118 2PZ 0.23347 -0.22948 -0.07217 0.01491 -0.20055 119 3S -0.00171 0.00630 0.04388 -0.04251 -0.03715 120 3PX -0.13570 -0.14006 -0.06910 -0.01675 -0.14829 121 3PY 0.00161 -0.03283 -0.02379 0.00994 -0.01857 122 3PZ 0.17190 -0.20255 -0.07469 0.01507 -0.22486 123 4XX -0.00129 -0.00121 -0.00219 -0.00142 0.00232 124 4YY -0.00008 0.00168 -0.00076 0.00138 -0.00005 125 4ZZ 0.00177 0.00065 -0.00216 0.00578 0.00284 126 4XY 0.00501 0.00203 -0.00049 -0.00087 -0.00163 127 4XZ -0.00004 -0.00106 -0.00044 -0.00078 0.00083 128 4YZ -0.00772 0.00269 -0.00023 0.00084 -0.00394 129 13 C 1S -0.01316 -0.01390 0.02131 0.00321 -0.00742 130 2S 0.02755 0.03288 -0.02875 -0.02803 0.01996 131 2PX -0.17753 -0.07995 0.24441 0.00141 -0.08075 132 2PY 0.04977 0.02594 -0.01174 0.00175 0.01229 133 2PZ -0.13864 -0.05535 0.25754 0.03077 -0.09107 134 3S 0.03357 0.06084 -0.19709 0.12221 0.01357 135 3PX -0.14708 -0.06518 0.26250 0.01339 -0.16685 136 3PY 0.00999 0.03700 -0.06399 0.04296 -0.07452 137 3PZ -0.11112 -0.06366 0.33403 0.03223 -0.07942 138 4XX -0.00419 -0.00840 0.00067 0.01520 0.00128 139 4YY -0.00250 0.00105 -0.00011 -0.00329 -0.00039 140 4ZZ 0.00538 0.00410 0.00748 -0.00894 -0.00449 141 4XY -0.00152 -0.00040 -0.00062 0.00034 0.00522 142 4XZ -0.00040 -0.00508 0.00092 0.01201 -0.00565 143 4YZ 0.00042 0.00090 -0.00201 0.00057 0.00267 144 14 C 1S 0.00353 0.00160 -0.00189 -0.00013 -0.00465 145 2S -0.01342 -0.00254 -0.00190 -0.00036 0.01964 146 2PX -0.06421 -0.06813 -0.11783 0.18000 -0.00698 147 2PY 0.01348 0.00616 0.00592 0.00523 -0.00857 148 2PZ -0.11088 -0.08721 -0.11501 0.17855 0.02664 149 3S 0.04398 -0.00880 0.05276 -0.04838 0.05849 150 3PX -0.07773 -0.06802 -0.17776 0.26315 -0.00541 151 3PY 0.03724 0.02285 0.00394 -0.03310 -0.00497 152 3PZ -0.06105 -0.09092 -0.14431 0.20479 0.07217 153 4XX 0.00713 0.00348 -0.01530 -0.00068 0.00445 154 4YY -0.00096 0.00000 -0.00014 -0.00197 0.00185 155 4ZZ -0.00538 -0.00258 0.01462 0.00121 -0.00340 156 4XY 0.00310 0.00330 -0.00816 -0.00925 0.00139 157 4XZ 0.00129 -0.00021 -0.00266 0.00140 -0.00185 158 4YZ 0.00770 0.00541 -0.01048 -0.00920 0.00419 159 15 C 1S -0.00353 -0.00160 -0.00189 0.00013 -0.00465 160 2S 0.01342 0.00254 -0.00190 0.00036 0.01964 161 2PX 0.06420 0.06813 -0.11783 -0.18001 -0.00698 162 2PY 0.01348 0.00616 -0.00592 0.00523 0.00858 163 2PZ 0.11087 0.08721 -0.11500 -0.17856 0.02664 164 3S -0.04398 0.00880 0.05276 0.04838 0.05849 165 3PX 0.07773 0.06802 -0.17776 -0.26316 -0.00540 166 3PY 0.03724 0.02285 -0.00394 -0.03310 0.00497 167 3PZ 0.06104 0.09092 -0.14430 -0.20479 0.07217 168 4XX -0.00713 -0.00348 -0.01530 0.00068 0.00445 169 4YY 0.00096 0.00000 -0.00014 0.00197 0.00185 170 4ZZ 0.00538 0.00258 0.01462 -0.00121 -0.00340 171 4XY 0.00310 0.00330 0.00816 -0.00925 -0.00139 172 4XZ -0.00129 0.00021 -0.00266 -0.00140 -0.00185 173 4YZ 0.00770 0.00541 0.01048 -0.00920 -0.00419 174 16 C 1S 0.01316 0.01390 0.02131 -0.00321 -0.00742 175 2S -0.02755 -0.03288 -0.02875 0.02803 0.01995 176 2PX 0.17753 0.07995 0.24442 -0.00140 -0.08075 177 2PY 0.04977 0.02594 0.01174 0.00175 -0.01229 178 2PZ 0.13864 0.05535 0.25754 -0.03076 -0.09108 179 3S -0.03357 -0.06083 -0.19708 -0.12221 0.01358 180 3PX 0.14708 0.06518 0.26250 -0.01338 -0.16685 181 3PY 0.00999 0.03700 0.06399 0.04296 0.07452 182 3PZ 0.11112 0.06366 0.33403 -0.03222 -0.07942 183 4XX 0.00419 0.00840 0.00067 -0.01520 0.00128 184 4YY 0.00250 -0.00105 -0.00011 0.00329 -0.00039 185 4ZZ -0.00538 -0.00410 0.00748 0.00894 -0.00449 186 4XY -0.00152 -0.00040 0.00062 0.00034 -0.00522 187 4XZ 0.00040 0.00508 0.00092 -0.01201 -0.00565 188 4YZ 0.00042 0.00090 0.00201 0.00058 -0.00267 189 17 H 1S -0.02464 0.00210 0.00857 -0.01995 -0.00748 190 2S -0.03605 0.02912 0.00571 -0.03267 -0.10094 191 18 H 1S 0.01306 0.00824 -0.00312 -0.00452 0.00327 192 2S 0.03171 0.01571 0.00729 -0.02969 0.02082 193 19 H 1S -0.01306 -0.00824 -0.00312 0.00452 0.00327 194 2S -0.03171 -0.01571 0.00729 0.02969 0.02082 195 20 H 1S 0.02464 -0.00210 0.00857 0.01995 -0.00748 196 2S 0.03605 -0.02912 0.00570 0.03267 -0.10094 197 21 C 1S 0.00000 0.00000 -0.00486 0.00000 0.00299 198 2S 0.00000 0.00000 0.00512 0.00000 -0.01612 199 2PX 0.00000 0.00000 0.01060 0.00000 0.01727 200 2PY -0.01336 -0.04313 0.00000 0.07452 0.00000 201 2PZ 0.00000 0.00000 -0.03263 0.00000 -0.00500 202 3S 0.00000 0.00000 0.06174 0.00000 0.01444 203 3PX 0.00000 0.00000 0.04226 0.00000 0.01304 204 3PY -0.01312 0.00604 0.00000 0.15169 0.00000 205 3PZ 0.00000 0.00000 -0.05143 0.00000 -0.08093 206 4XX 0.00000 0.00000 0.00982 0.00000 -0.00389 207 4YY 0.00000 0.00000 0.01013 0.00000 -0.00274 208 4ZZ 0.00000 0.00000 -0.02193 0.00000 0.00520 209 4XY 0.00985 0.00171 0.00000 -0.00045 0.00000 210 4XZ 0.00000 0.00000 -0.01531 0.00000 0.00431 211 4YZ 0.00798 0.00336 0.00000 0.00110 0.00000 212 22 H 1S 0.00000 0.00000 0.05437 0.00000 -0.03616 213 2S 0.00000 0.00000 0.15786 0.00000 -0.02058 214 23 H 1S 0.00000 0.00000 -0.11571 0.00000 0.04516 215 2S 0.00000 0.00000 -0.28991 0.00000 0.15011 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 0.00382 0.02084 0.04527 -0.02700 -0.00196 2 2S -0.00245 -0.05818 -0.06621 0.04138 0.03845 3 2PX -0.11476 0.00958 0.12309 -0.12937 0.04312 4 2PY -0.00414 -0.03198 -0.08881 0.07674 -0.01125 5 2PZ -0.14852 -0.03596 -0.07563 0.12402 0.01428 6 3S -0.07903 -0.25380 -0.76638 0.61591 -0.04130 7 3PX -0.19554 0.08479 0.26289 -0.26705 0.04373 8 3PY 0.01124 -0.14275 -0.32238 0.27908 0.00055 9 3PZ -0.22026 -0.06754 -0.18291 0.22554 -0.02241 10 4XX 0.00627 0.00342 0.00866 -0.00173 -0.00022 11 4YY 0.00036 -0.00584 -0.00258 0.00140 0.00610 12 4ZZ -0.00506 0.00166 0.00300 -0.00019 0.00027 13 4XY -0.00535 -0.00522 -0.01484 0.00945 -0.00051 14 4XZ 0.00126 0.00067 -0.00924 -0.00418 -0.00702 15 4YZ -0.00704 0.00323 0.00997 -0.01129 0.00019 16 2 H 1S 0.00502 0.01912 0.08317 -0.04212 0.01504 17 2S 0.01425 0.33635 1.00155 -0.89592 0.08051 18 3 C 1S -0.00382 0.02084 0.04527 -0.02700 -0.00197 19 2S 0.00245 -0.05818 -0.06621 0.04137 0.03845 20 2PX 0.11476 0.00958 0.12309 -0.12938 0.04313 21 2PY -0.00414 0.03197 0.08881 -0.07673 0.01125 22 2PZ 0.14851 -0.03596 -0.07563 0.12400 0.01429 23 3S 0.07902 -0.25380 -0.76639 0.61592 -0.04133 24 3PX 0.19554 0.08480 0.26289 -0.26706 0.04370 25 3PY 0.01123 0.14274 0.32237 -0.27905 -0.00059 26 3PZ 0.22025 -0.06754 -0.18291 0.22550 -0.02236 27 4XX -0.00627 0.00342 0.00866 -0.00173 -0.00022 28 4YY -0.00036 -0.00584 -0.00258 0.00140 0.00610 29 4ZZ 0.00506 0.00166 0.00300 -0.00019 0.00027 30 4XY -0.00535 0.00522 0.01484 -0.00945 0.00051 31 4XZ -0.00126 0.00067 -0.00924 -0.00418 -0.00702 32 4YZ -0.00704 -0.00323 -0.00996 0.01129 -0.00019 33 4 H 1S -0.00502 0.01912 0.08317 -0.04211 0.01504 34 2S -0.01424 0.33635 1.00156 -0.89589 0.08046 35 5 C 1S 0.00607 0.00524 0.01160 0.00399 0.00249 36 2S -0.02998 -0.02947 -0.02827 -0.00118 0.02051 37 2PX -0.11008 -0.02103 -0.00269 -0.09536 0.00754 38 2PY -0.00244 0.00400 0.02340 0.00838 0.00921 39 2PZ -0.11423 -0.02688 -0.00169 0.01414 0.03307 40 3S 0.02893 0.07253 -0.04924 -0.09442 -0.13933 41 3PX -0.05692 -0.05445 -0.03410 0.00263 0.02215 42 3PY -0.05222 -0.13328 0.06595 0.04703 0.00377 43 3PZ -0.11277 -0.01211 0.01578 -0.09891 0.01682 44 4XX -0.01204 -0.00579 -0.01263 0.00094 0.00116 45 4YY 0.00037 0.01309 0.02537 0.00063 0.00266 46 4ZZ 0.01040 -0.00472 -0.00992 -0.00169 -0.00223 47 4XY -0.00171 0.00297 0.00040 0.00898 -0.00105 48 4XZ -0.00238 0.00726 0.00489 -0.00045 -0.00516 49 4YZ -0.00365 0.00228 0.00412 -0.00441 -0.00046 50 6 C 1S 0.00168 0.02556 0.03433 0.02975 -0.00382 51 2S -0.00769 -0.04303 -0.07355 -0.03511 0.03327 52 2PX -0.06343 -0.02105 -0.02896 -0.10614 -0.00196 53 2PY 0.01930 0.04268 0.04527 0.06810 0.01968 54 2PZ -0.10755 0.06317 0.06857 0.17202 0.02669 55 3S 0.06883 -0.35162 -0.44036 -0.67093 -0.04471 56 3PX -0.12879 -0.13320 -0.08301 -0.22626 -0.04976 57 3PY 0.03861 0.14920 0.17366 0.26784 0.01259 58 3PZ -0.24971 0.19104 0.18889 0.38520 0.06730 59 4XX 0.00526 0.00353 0.00422 0.00085 0.00178 60 4YY -0.00202 -0.00159 -0.00624 -0.00019 0.00658 61 4ZZ 0.00082 0.00444 0.00569 0.00486 -0.00548 62 4XY 0.00145 -0.00259 -0.00987 -0.01033 -0.00241 63 4XZ 0.01114 -0.00171 -0.00597 0.00132 -0.00276 64 4YZ 0.00627 0.00668 0.00876 0.01425 -0.00279 65 7 H 1S -0.01141 0.02980 0.05758 0.06096 -0.00155 66 2S -0.17389 0.54400 0.61754 1.02389 0.08681 67 8 C 1S -0.00168 0.02556 0.03433 0.02975 -0.00382 68 2S 0.00768 -0.04303 -0.07355 -0.03510 0.03326 69 2PX 0.06342 -0.02105 -0.02896 -0.10612 -0.00198 70 2PY 0.01929 -0.04268 -0.04527 -0.06810 -0.01968 71 2PZ 0.10755 0.06317 0.06856 0.17203 0.02669 72 3S -0.06884 -0.35161 -0.44035 -0.67090 -0.04474 73 3PX 0.12878 -0.13321 -0.08301 -0.22624 -0.04983 74 3PY 0.03861 -0.14920 -0.17366 -0.26782 -0.01263 75 3PZ 0.24971 0.19105 0.18888 0.38519 0.06733 76 4XX -0.00526 0.00353 0.00422 0.00085 0.00178 77 4YY 0.00202 -0.00159 -0.00624 -0.00020 0.00658 78 4ZZ -0.00082 0.00444 0.00569 0.00486 -0.00548 79 4XY 0.00145 0.00259 0.00987 0.01033 0.00241 80 4XZ -0.01114 -0.00171 -0.00597 0.00132 -0.00276 81 4YZ 0.00627 -0.00668 -0.00876 -0.01425 0.00279 82 9 H 1S 0.01142 0.02980 0.05758 0.06095 -0.00155 83 2S 0.17391 0.54401 0.61753 1.02383 0.08690 84 10 C 1S -0.00607 0.00524 0.01160 0.00399 0.00248 85 2S 0.02998 -0.02947 -0.02827 -0.00118 0.02051 86 2PX 0.11008 -0.02102 -0.00270 -0.09537 0.00755 87 2PY -0.00245 -0.00400 -0.02340 -0.00838 -0.00921 88 2PZ 0.11424 -0.02688 -0.00169 0.01412 0.03308 89 3S -0.02894 0.07252 -0.04924 -0.09442 -0.13933 90 3PX 0.05692 -0.05445 -0.03411 0.00261 0.02216 91 3PY -0.05223 0.13328 -0.06595 -0.04706 -0.00370 92 3PZ 0.11277 -0.01211 0.01578 -0.09892 0.01684 93 4XX 0.01204 -0.00579 -0.01263 0.00094 0.00115 94 4YY -0.00037 0.01309 0.02537 0.00063 0.00266 95 4ZZ -0.01040 -0.00472 -0.00992 -0.00169 -0.00223 96 4XY -0.00171 -0.00296 -0.00040 -0.00898 0.00105 97 4XZ 0.00238 0.00726 0.00489 -0.00046 -0.00515 98 4YZ -0.00365 -0.00228 -0.00412 0.00441 0.00046 99 11 O 1S 0.00165 0.00457 -0.01166 -0.00356 -0.00305 100 2S 0.00575 0.00065 0.02743 0.00190 -0.00296 101 2PX 0.04350 -0.01199 0.02480 0.02926 -0.01119 102 2PY -0.00733 0.03404 0.07198 0.00353 0.01036 103 2PZ 0.05820 0.00944 0.01727 0.03267 -0.01109 104 3S -0.06244 -0.12078 0.10006 0.06440 0.06247 105 3PX 0.04624 0.00518 0.01689 0.04022 -0.00793 106 3PY -0.02882 -0.02772 0.07842 0.02403 0.03291 107 3PZ 0.06612 0.00779 0.01099 0.02562 -0.01215 108 4XX 0.00066 0.00573 -0.00174 -0.00403 -0.00306 109 4YY 0.00224 -0.00433 -0.00370 -0.00025 -0.00251 110 4ZZ 0.00524 0.00436 -0.00082 -0.00163 -0.00470 111 4XY -0.00256 -0.00214 0.00104 -0.00456 0.00022 112 4XZ -0.00035 0.00089 -0.00240 -0.00094 -0.00109 113 4YZ -0.00270 -0.00201 -0.00042 0.00277 0.00136 114 12 O 1S -0.00165 0.00457 -0.01166 -0.00356 -0.00305 115 2S -0.00575 0.00065 0.02743 0.00190 -0.00296 116 2PX -0.04351 -0.01199 0.02480 0.02927 -0.01119 117 2PY -0.00733 -0.03404 -0.07198 -0.00353 -0.01036 118 2PZ -0.05820 0.00944 0.01727 0.03268 -0.01110 119 3S 0.06244 -0.12078 0.10006 0.06442 0.06242 120 3PX -0.04624 0.00518 0.01689 0.04023 -0.00794 121 3PY -0.02883 0.02772 -0.07842 -0.02404 -0.03289 122 3PZ -0.06612 0.00779 0.01100 0.02563 -0.01216 123 4XX -0.00066 0.00573 -0.00174 -0.00403 -0.00305 124 4YY -0.00224 -0.00433 -0.00370 -0.00025 -0.00251 125 4ZZ -0.00524 0.00436 -0.00082 -0.00163 -0.00469 126 4XY -0.00256 0.00214 -0.00104 0.00456 -0.00022 127 4XZ 0.00035 0.00089 -0.00240 -0.00094 -0.00109 128 4YZ -0.00270 0.00201 0.00042 -0.00277 -0.00136 129 13 C 1S -0.03648 0.03888 -0.01203 0.00604 0.00186 130 2S 0.05726 -0.08129 0.03347 -0.00416 0.02907 131 2PX -0.20315 0.00680 -0.01826 0.00613 0.00918 132 2PY 0.03054 0.10728 -0.06730 -0.03745 -0.02803 133 2PZ -0.12262 -0.04612 0.00083 -0.00608 -0.03941 134 3S 0.44188 -0.48560 0.06812 -0.15403 -0.12731 135 3PX -0.33131 0.06993 -0.01632 0.05715 0.00651 136 3PY 0.10236 0.24069 -0.28329 -0.23049 -0.21716 137 3PZ -0.17263 -0.11735 -0.01259 -0.09552 -0.34166 138 4XX 0.00836 -0.00203 0.00322 0.00362 -0.00322 139 4YY 0.00088 0.01470 -0.00688 -0.00263 0.00609 140 4ZZ -0.01834 -0.00753 0.00228 -0.00043 0.00217 141 4XY 0.00329 0.00765 -0.00637 -0.00549 0.00948 142 4XZ -0.00067 0.00465 -0.00112 0.00010 -0.00287 143 4YZ 0.00182 -0.00444 0.00363 0.00359 0.00430 144 14 C 1S -0.00924 0.03758 -0.01826 -0.00739 0.02399 145 2S 0.02598 -0.07609 0.01461 -0.00145 -0.00289 146 2PX 0.19550 -0.08070 0.06238 0.03162 -0.02300 147 2PY 0.00576 0.09204 -0.03612 0.00159 0.08138 148 2PZ 0.20152 0.09867 -0.01983 0.01017 0.09576 149 3S 0.04503 -0.60423 0.33565 0.11503 -0.54052 150 3PX 0.38426 -0.18901 0.06968 0.00733 -0.08469 151 3PY -0.02127 0.21484 -0.07996 -0.00450 0.25887 152 3PZ 0.30506 0.20897 -0.07007 -0.01164 0.15817 153 4XX 0.00885 0.00108 -0.00314 -0.00546 0.00441 154 4YY -0.00308 -0.00233 -0.00058 0.00065 0.00599 155 4ZZ -0.00647 0.00118 -0.00150 0.00022 0.00021 156 4XY -0.00958 -0.01127 0.01033 0.00778 0.00115 157 4XZ -0.00096 -0.00172 0.00543 0.00522 -0.00281 158 4YZ -0.00814 0.01239 -0.00430 -0.00101 0.00726 159 15 C 1S 0.00924 0.03758 -0.01826 -0.00739 0.02399 160 2S -0.02598 -0.07609 0.01461 -0.00146 -0.00289 161 2PX -0.19550 -0.08070 0.06238 0.03162 -0.02300 162 2PY 0.00576 -0.09204 0.03612 -0.00159 -0.08138 163 2PZ -0.20152 0.09867 -0.01983 0.01017 0.09577 164 3S -0.04502 -0.60423 0.33564 0.11499 -0.54052 165 3PX -0.38426 -0.18902 0.06969 0.00733 -0.08470 166 3PY -0.02127 -0.21485 0.07996 0.00450 -0.25886 167 3PZ -0.30506 0.20897 -0.07007 -0.01164 0.15820 168 4XX -0.00886 0.00108 -0.00314 -0.00546 0.00441 169 4YY 0.00308 -0.00233 -0.00058 0.00065 0.00599 170 4ZZ 0.00647 0.00118 -0.00150 0.00022 0.00021 171 4XY -0.00958 0.01127 -0.01033 -0.00778 -0.00115 172 4XZ 0.00097 -0.00172 0.00543 0.00522 -0.00281 173 4YZ -0.00814 -0.01239 0.00430 0.00101 -0.00726 174 16 C 1S 0.03648 0.03888 -0.01203 0.00604 0.00186 175 2S -0.05726 -0.08129 0.03347 -0.00416 0.02906 176 2PX 0.20314 0.00680 -0.01826 0.00613 0.00918 177 2PY 0.03054 -0.10728 0.06730 0.03746 0.02802 178 2PZ 0.12262 -0.04612 0.00083 -0.00607 -0.03942 179 3S -0.44187 -0.48559 0.06813 -0.15401 -0.12736 180 3PX 0.33131 0.06994 -0.01633 0.05717 0.00648 181 3PY 0.10237 -0.24069 0.28328 0.23049 0.21714 182 3PZ 0.17264 -0.11735 -0.01260 -0.09552 -0.34168 183 4XX -0.00836 -0.00203 0.00322 0.00362 -0.00322 184 4YY -0.00088 0.01470 -0.00688 -0.00263 0.00609 185 4ZZ 0.01834 -0.00753 0.00228 -0.00043 0.00217 186 4XY 0.00329 -0.00765 0.00637 0.00549 -0.00948 187 4XZ 0.00067 0.00465 -0.00112 0.00010 -0.00287 188 4YZ 0.00182 0.00444 -0.00363 -0.00358 -0.00430 189 17 H 1S -0.00152 0.05640 -0.02690 -0.00973 0.02350 190 2S -0.11216 0.69983 -0.38647 -0.12823 -0.06942 191 18 H 1S 0.00234 0.04650 -0.05029 -0.04376 0.01725 192 2S -0.07387 0.84359 -0.39947 -0.12798 0.58753 193 19 H 1S -0.00234 0.04650 -0.05029 -0.04376 0.01725 194 2S 0.07387 0.84360 -0.39947 -0.12796 0.58754 195 20 H 1S 0.00152 0.05640 -0.02690 -0.00973 0.02350 196 2S 0.11213 0.69982 -0.38647 -0.12824 -0.06937 197 21 C 1S 0.00000 0.03823 -0.02321 -0.02959 -0.10779 198 2S 0.00000 -0.05506 0.01454 0.02028 0.10203 199 2PX 0.00000 0.04319 -0.04236 -0.05403 0.09212 200 2PY 0.07587 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 -0.08956 -0.00636 -0.02462 0.28609 202 3S 0.00000 -0.56216 0.51844 0.63973 2.10544 203 3PX 0.00000 0.03705 -0.03275 -0.06332 0.41613 204 3PY 0.25836 0.00000 0.00000 0.00000 0.00001 205 3PZ 0.00000 -0.17410 -0.15971 -0.20806 0.66826 206 4XX 0.00000 0.00912 -0.00278 -0.00155 -0.00729 207 4YY 0.00000 -0.01246 0.00367 -0.00180 -0.01058 208 4ZZ 0.00000 0.01032 -0.00311 -0.00151 -0.00388 209 4XY 0.01441 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 -0.00468 0.00900 0.00651 -0.00859 211 4YZ 0.01510 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.03406 -0.02543 -0.01850 -0.00279 213 2S 0.00000 0.44377 -0.30007 -0.32055 -0.59371 214 23 H 1S 0.00000 0.02689 0.01459 0.01706 -0.05336 215 2S 0.00000 0.41847 0.02264 0.06658 -1.75156 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 0.02711 0.00853 -0.00020 0.00668 0.00406 2 2S -0.09032 -0.02210 -0.02114 -0.02664 -0.09169 3 2PX -0.11436 0.05353 -0.01820 0.03949 -0.05658 4 2PY -0.03290 -0.01208 0.01809 -0.00467 0.01708 5 2PZ -0.15835 0.04854 -0.01241 0.04230 -0.05910 6 3S 0.16803 0.03369 0.10667 0.03399 0.15399 7 3PX 0.16098 0.20431 -0.03678 0.16256 0.02105 8 3PY -0.35253 -0.13669 0.05965 -0.15839 -0.00783 9 3PZ -0.50816 0.02208 0.02068 0.05219 -0.04168 10 4XX 0.00861 -0.00230 0.00036 -0.00715 -0.00304 11 4YY 0.00452 0.00098 -0.00354 -0.00011 -0.01322 12 4ZZ -0.01141 0.00376 0.00088 0.00338 0.00053 13 4XY -0.00384 0.00154 -0.00088 -0.00045 -0.00065 14 4XZ -0.00002 -0.00234 0.00298 0.00079 0.01512 15 4YZ -0.00556 0.00200 0.00072 0.00155 0.00205 16 2 H 1S 0.02251 0.00654 -0.00527 -0.00415 -0.03359 17 2S 0.49958 0.19389 -0.08851 0.14129 -0.02170 18 3 C 1S -0.02712 -0.00853 -0.00019 -0.00668 0.00408 19 2S 0.09032 0.02210 -0.02114 0.02664 -0.09175 20 2PX 0.11434 -0.05353 -0.01820 -0.03949 -0.05652 21 2PY -0.03291 -0.01208 -0.01809 -0.00467 -0.01705 22 2PZ 0.15836 -0.04854 -0.01241 -0.04231 -0.05911 23 3S -0.16800 -0.03368 0.10666 -0.03400 0.15380 24 3PX -0.16101 -0.20431 -0.03676 -0.16256 0.02138 25 3PY -0.35254 -0.13669 -0.05964 -0.15837 0.00805 26 3PZ 0.50818 -0.02208 0.02067 -0.05219 -0.04184 27 4XX -0.00861 0.00230 0.00036 0.00715 -0.00304 28 4YY -0.00452 -0.00098 -0.00354 0.00011 -0.01321 29 4ZZ 0.01141 -0.00376 0.00088 -0.00338 0.00054 30 4XY -0.00384 0.00154 0.00088 -0.00045 0.00065 31 4XZ 0.00002 0.00235 0.00298 -0.00079 0.01512 32 4YZ -0.00556 0.00200 -0.00072 0.00155 -0.00205 33 4 H 1S -0.02252 -0.00654 -0.00527 0.00415 -0.03357 34 2S -0.49964 -0.19388 -0.08849 -0.14128 -0.02113 35 5 C 1S 0.01623 0.00156 0.00447 0.00091 0.01036 36 2S -0.03532 -0.01486 -0.01240 0.02793 -0.05966 37 2PX -0.14305 0.05604 -0.00575 0.08260 -0.01554 38 2PY -0.00299 -0.01860 -0.00247 0.00714 -0.03332 39 2PZ -0.18552 0.07253 -0.00977 0.10582 -0.04356 40 3S 0.01705 0.11813 -0.01835 -0.16068 0.06985 41 3PX -0.13565 0.15929 0.05731 0.16575 -0.02577 42 3PY 0.58438 0.19060 0.08936 0.21781 -0.29326 43 3PZ -0.20843 0.09889 -0.06612 0.04809 -0.06025 44 4XX 0.00468 0.00164 0.00035 -0.00039 -0.00032 45 4YY -0.00075 -0.00279 0.00016 -0.00175 0.00413 46 4ZZ -0.00036 -0.00002 -0.00016 0.00216 -0.00223 47 4XY -0.00072 -0.00009 -0.00079 -0.00196 0.00151 48 4XZ -0.01240 -0.00282 0.00055 -0.00394 0.00946 49 4YZ 0.00064 -0.00099 -0.00150 -0.00086 -0.00032 50 6 C 1S -0.05873 -0.00889 0.00707 0.00882 0.00903 51 2S 0.12947 0.02399 -0.00448 -0.00955 -0.01322 52 2PX 0.16932 -0.04236 -0.01238 -0.07985 -0.01105 53 2PY -0.04969 -0.00655 -0.00341 0.01849 0.03763 54 2PZ 0.11199 -0.08264 0.01532 -0.04824 0.03950 55 3S 0.26543 0.05084 -0.19363 -0.13054 -0.16529 56 3PX 0.63807 0.11512 0.00100 -0.12281 -0.14167 57 3PY -0.35852 -0.05178 0.08999 0.15709 0.12242 58 3PZ -0.18910 -0.39070 0.00462 -0.05663 0.10501 59 4XX 0.00438 -0.00488 0.00185 -0.00263 0.00232 60 4YY -0.01053 -0.00234 -0.00182 0.00222 0.00189 61 4ZZ -0.00927 0.00511 0.00338 0.00576 -0.00172 62 4XY -0.00404 0.00130 -0.00374 0.00308 -0.00560 63 4XZ 0.00372 -0.00117 0.00310 -0.00086 0.00209 64 4YZ -0.00054 0.00266 0.00007 0.00074 -0.00018 65 7 H 1S -0.05561 0.00993 0.00437 0.02212 -0.00230 66 2S -0.77673 -0.38657 0.12980 0.17885 0.25780 67 8 C 1S 0.05873 0.00889 0.00707 -0.00882 0.00903 68 2S -0.12947 -0.02399 -0.00448 0.00954 -0.01321 69 2PX -0.16933 0.04236 -0.01238 0.07985 -0.01110 70 2PY -0.04969 -0.00655 0.00342 0.01849 -0.03761 71 2PZ -0.11198 0.08264 0.01532 0.04824 0.03947 72 3S -0.26548 -0.05084 -0.19363 0.13056 -0.16540 73 3PX -0.63809 -0.11512 0.00102 0.12281 -0.14169 74 3PY -0.35853 -0.05178 -0.08997 0.15710 -0.12230 75 3PZ 0.18912 0.39070 0.00459 0.05664 0.10488 76 4XX -0.00438 0.00488 0.00185 0.00263 0.00232 77 4YY 0.01053 0.00234 -0.00182 -0.00222 0.00189 78 4ZZ 0.00927 -0.00511 0.00338 -0.00576 -0.00172 79 4XY -0.00404 0.00130 0.00374 0.00308 0.00559 80 4XZ -0.00372 0.00117 0.00310 0.00086 0.00209 81 4YZ -0.00054 0.00266 -0.00007 0.00074 0.00018 82 9 H 1S 0.05562 -0.00993 0.00437 -0.02211 -0.00230 83 2S 0.77681 0.38656 0.12976 -0.17886 0.25768 84 10 C 1S -0.01623 -0.00156 0.00447 -0.00091 0.01036 85 2S 0.03532 0.01485 -0.01241 -0.02793 -0.05969 86 2PX 0.14304 -0.05604 -0.00576 -0.08259 -0.01550 87 2PY -0.00300 -0.01860 0.00248 0.00715 0.03335 88 2PZ 0.18552 -0.07253 -0.00978 -0.10582 -0.04354 89 3S -0.01703 -0.11813 -0.01832 0.16070 0.06988 90 3PX 0.13566 -0.15928 0.05731 -0.16576 -0.02571 91 3PY 0.58437 0.19061 -0.08937 0.21783 0.29313 92 3PZ 0.20842 -0.09889 -0.06611 -0.04809 -0.06019 93 4XX -0.00468 -0.00164 0.00035 0.00039 -0.00031 94 4YY 0.00075 0.00279 0.00016 0.00175 0.00413 95 4ZZ 0.00036 0.00003 -0.00016 -0.00216 -0.00223 96 4XY -0.00072 -0.00009 0.00079 -0.00196 -0.00151 97 4XZ 0.01240 0.00282 0.00055 0.00394 0.00945 98 4YZ 0.00064 -0.00099 0.00150 -0.00086 0.00032 99 11 O 1S -0.02002 -0.00641 -0.00724 -0.01461 0.01095 100 2S 0.01288 0.00973 0.02668 0.02298 0.00513 101 2PX 0.07991 -0.00441 0.04028 0.01019 -0.00259 102 2PY 0.00300 -0.00304 -0.00240 0.00559 0.00189 103 2PZ 0.08487 -0.03150 0.02425 -0.01383 0.01231 104 3S 0.41750 0.11993 0.06521 0.23753 -0.26952 105 3PX 0.10161 -0.03492 0.01113 -0.02663 0.00315 106 3PY 0.12031 0.04091 0.03209 0.10556 -0.09415 107 3PZ 0.12135 -0.04344 0.02381 -0.02809 0.01151 108 4XX -0.01455 -0.00331 -0.00030 -0.00826 0.01260 109 4YY 0.00010 0.00217 0.00751 0.00550 0.00110 110 4ZZ -0.01338 -0.00181 0.00337 -0.00442 0.01165 111 4XY -0.00171 0.00193 0.00102 0.00467 -0.00173 112 4XZ -0.00156 -0.00006 -0.00201 -0.00248 0.00114 113 4YZ -0.00368 0.00266 0.00170 0.00610 -0.00189 114 12 O 1S 0.02002 0.00641 -0.00724 0.01461 0.01095 115 2S -0.01288 -0.00973 0.02668 -0.02298 0.00513 116 2PX -0.07991 0.00441 0.04028 -0.01020 -0.00262 117 2PY 0.00300 -0.00304 0.00241 0.00559 -0.00189 118 2PZ -0.08486 0.03151 0.02425 0.01383 0.01230 119 3S -0.41750 -0.11994 0.06521 -0.23755 -0.26943 120 3PX -0.10161 0.03492 0.01113 0.02664 0.00313 121 3PY 0.12032 0.04091 -0.03209 0.10557 0.09413 122 3PZ -0.12134 0.04344 0.02381 0.02808 0.01150 123 4XX 0.01455 0.00331 -0.00030 0.00827 0.01260 124 4YY -0.00010 -0.00216 0.00751 -0.00551 0.00110 125 4ZZ 0.01338 0.00181 0.00337 0.00442 0.01165 126 4XY -0.00171 0.00193 -0.00102 0.00467 0.00173 127 4XZ 0.00156 0.00006 -0.00201 0.00248 0.00114 128 4YZ -0.00368 0.00266 -0.00170 0.00610 0.00189 129 13 C 1S -0.00734 -0.00070 -0.08299 -0.08103 -0.00909 130 2S -0.00781 -0.02052 0.12238 0.14071 0.02408 131 2PX 0.08096 -0.04830 -0.03183 -0.02075 -0.01807 132 2PY -0.07019 -0.15077 -0.10074 -0.14748 0.01348 133 2PZ 0.09474 0.02291 0.07263 0.07278 -0.03849 134 3S 0.33958 0.47322 1.21576 1.19125 -0.01397 135 3PX 0.28176 -0.13395 -0.13418 -0.11737 -0.30866 136 3PY -0.08596 -0.18683 -0.42890 -0.65417 -0.04661 137 3PZ 0.16286 0.15416 0.23525 0.23219 -0.15152 138 4XX -0.00554 0.00055 -0.00257 -0.00946 -0.00507 139 4YY 0.00012 -0.00104 -0.01326 0.00583 0.00115 140 4ZZ 0.00959 0.00313 -0.00166 -0.00897 -0.00063 141 4XY -0.00680 0.00070 0.00773 -0.00451 0.01055 142 4XZ 0.01050 -0.00948 0.00342 0.00311 0.00841 143 4YZ -0.00389 -0.00207 -0.00988 0.00187 0.01135 144 14 C 1S 0.01470 -0.07278 0.03720 0.05210 -0.00495 145 2S -0.02752 0.13639 -0.06408 -0.10539 -0.00572 146 2PX -0.02447 0.08735 -0.06528 -0.01453 0.08735 147 2PY 0.00774 -0.09778 0.08682 0.02336 -0.05723 148 2PZ -0.10818 -0.13049 0.05957 -0.00059 -0.05852 149 3S -0.19985 0.99866 -0.65273 -0.30504 0.36026 150 3PX 0.03738 0.54078 -0.17288 -0.23708 0.16450 151 3PY 0.03551 -0.32460 0.41513 0.40575 -0.16576 152 3PZ -0.28032 -0.59517 0.14171 0.16767 -0.11798 153 4XX -0.00335 -0.00432 0.00155 -0.00045 0.00214 154 4YY 0.00222 -0.00163 -0.00471 0.01329 -0.00470 155 4ZZ 0.00379 -0.00206 0.00578 0.00220 0.00599 156 4XY 0.00163 -0.00167 0.00226 0.00332 0.00721 157 4XZ 0.00176 0.00274 -0.00277 -0.00395 -0.00486 158 4YZ 0.00280 0.00451 -0.00288 -0.00227 0.00341 159 15 C 1S -0.01470 0.07279 0.03719 -0.05210 -0.00495 160 2S 0.02752 -0.13640 -0.06406 0.10540 -0.00572 161 2PX 0.02447 -0.08735 -0.06527 0.01454 0.08733 162 2PY 0.00775 -0.09778 -0.08681 0.02337 0.05722 163 2PZ 0.10818 0.13049 0.05956 0.00058 -0.05852 164 3S 0.19992 -0.99870 -0.65263 0.30511 0.36019 165 3PX -0.03737 -0.54079 -0.17281 0.23711 0.16448 166 3PY 0.03554 -0.32463 -0.41507 0.40580 0.16573 167 3PZ 0.28030 0.59517 0.14166 -0.16769 -0.11794 168 4XX 0.00334 0.00432 0.00155 0.00045 0.00214 169 4YY -0.00222 0.00163 -0.00471 -0.01329 -0.00470 170 4ZZ -0.00379 0.00206 0.00578 -0.00220 0.00599 171 4XY 0.00163 -0.00167 -0.00226 0.00332 -0.00721 172 4XZ -0.00176 -0.00275 -0.00277 0.00395 -0.00486 173 4YZ 0.00281 0.00451 0.00288 -0.00227 -0.00341 174 16 C 1S 0.00734 0.00069 -0.08299 0.08104 -0.00909 175 2S 0.00780 0.02053 0.12237 -0.14072 0.02409 176 2PX -0.08096 0.04830 -0.03184 0.02076 -0.01807 177 2PY -0.07019 -0.15076 0.10073 -0.14749 -0.01351 178 2PZ -0.09473 -0.02290 0.07262 -0.07278 -0.03850 179 3S -0.33958 -0.47313 1.21569 -1.19136 -0.01395 180 3PX -0.28175 0.13394 -0.13420 0.11739 -0.30868 181 3PY -0.08596 -0.18680 0.42884 -0.65422 0.04654 182 3PZ -0.16283 -0.15413 0.23523 -0.23221 -0.15154 183 4XX 0.00554 -0.00055 -0.00256 0.00945 -0.00507 184 4YY -0.00013 0.00104 -0.01326 -0.00582 0.00115 185 4ZZ -0.00959 -0.00313 -0.00166 0.00897 -0.00063 186 4XY -0.00680 0.00070 -0.00773 -0.00451 -0.01056 187 4XZ -0.01050 0.00948 0.00342 -0.00311 0.00841 188 4YZ -0.00389 -0.00207 0.00988 0.00187 -0.01135 189 17 H 1S -0.00432 0.00465 -0.06321 -0.02491 -0.00570 190 2S -0.24661 -0.52826 -1.17304 -1.34035 -0.05600 191 18 H 1S 0.01593 -0.03643 0.02329 0.04095 -0.00724 192 2S -0.06086 -1.44128 0.82662 0.68835 -0.48980 193 19 H 1S -0.01594 0.03643 0.02329 -0.04095 -0.00723 194 2S 0.06078 1.44133 0.82645 -0.68845 -0.48970 195 20 H 1S 0.00432 -0.00466 -0.06320 0.02491 -0.00569 196 2S 0.24660 0.52818 -1.17294 1.34046 -0.05592 197 21 C 1S 0.00000 0.00000 0.08663 0.00000 0.02973 198 2S 0.00000 -0.00001 -0.13080 0.00000 -0.05464 199 2PX -0.00001 0.00000 -0.00618 0.00001 0.40720 200 2PY 0.01512 -0.01949 0.00000 0.08923 0.00000 201 2PZ -0.00001 0.00000 0.07714 -0.00001 0.01162 202 3S -0.00007 -0.00006 -1.06130 0.00002 -0.48776 203 3PX -0.00003 0.00000 0.03694 0.00002 1.43372 204 3PY 0.09941 0.06147 0.00002 0.53009 -0.00003 205 3PZ -0.00004 0.00000 0.05594 -0.00001 0.04880 206 4XX 0.00000 0.00000 0.00129 0.00000 0.00669 207 4YY 0.00000 0.00000 0.02099 0.00000 -0.00288 208 4ZZ 0.00000 0.00000 -0.00252 0.00000 -0.00227 209 4XY -0.01213 0.00989 0.00000 -0.00807 0.00000 210 4XZ 0.00000 0.00000 -0.00338 0.00000 -0.00574 211 4YZ -0.00749 -0.01180 0.00000 0.01190 0.00000 212 22 H 1S 0.00000 0.00000 0.02339 0.00000 0.07511 213 2S 0.00001 0.00003 0.47273 0.00002 1.89927 214 23 H 1S 0.00000 0.00000 -0.01540 0.00000 -0.03502 215 2S 0.00009 0.00002 0.28600 -0.00002 -0.91281 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 -0.07486 0.04666 -0.02315 0.01844 0.02775 2 2S 0.16110 -0.06446 0.02665 -0.03428 -0.05147 3 2PX -0.15528 -0.10498 -0.02016 0.00834 -0.07759 4 2PY 0.09743 -0.07502 0.00058 0.00623 -0.00742 5 2PZ 0.03092 0.10297 0.06688 -0.09174 0.02699 6 3S 0.58494 -0.81876 0.43922 -0.40477 -0.49485 7 3PX -0.89842 -0.39954 -0.10171 0.13408 -0.33127 8 3PY 0.58977 -0.38037 -0.00719 0.05106 -0.19627 9 3PZ 0.49295 0.31827 0.22737 -0.22789 0.23131 10 4XX 0.00021 0.00761 -0.00261 -0.00155 0.01159 11 4YY -0.00980 -0.01067 -0.00814 0.00591 -0.00959 12 4ZZ -0.00393 0.00921 0.00383 -0.00553 0.00173 13 4XY -0.00758 0.02133 -0.00334 0.00207 0.01407 14 4XZ 0.00784 -0.01168 -0.00131 0.00482 -0.00626 15 4YZ 0.00283 -0.01608 0.00269 -0.00453 -0.00766 16 2 H 1S -0.05951 -0.03166 -0.00969 -0.00407 -0.01643 17 2S -1.58536 -0.00709 -0.39491 0.36426 -0.08097 18 3 C 1S 0.07486 0.04665 0.02316 -0.01844 0.02775 19 2S -0.16107 -0.06445 -0.02665 0.03428 -0.05147 20 2PX 0.15530 -0.10498 0.02015 -0.00833 -0.07759 21 2PY 0.09744 0.07502 0.00059 0.00623 0.00742 22 2PZ -0.03090 0.10298 -0.06687 0.09174 0.02699 23 3S -0.58502 -0.81871 -0.43929 0.40479 -0.49483 24 3PX 0.89842 -0.39956 0.10167 -0.13406 -0.33130 25 3PY 0.58976 0.38037 -0.00715 0.05105 0.19630 26 3PZ -0.49293 0.31830 -0.22734 0.22788 0.23133 27 4XX -0.00021 0.00761 0.00261 0.00155 0.01159 28 4YY 0.00981 -0.01067 0.00814 -0.00591 -0.00959 29 4ZZ 0.00393 0.00921 -0.00383 0.00553 0.00173 30 4XY -0.00758 -0.02133 -0.00334 0.00207 -0.01407 31 4XZ -0.00784 -0.01168 0.00131 -0.00482 -0.00626 32 4YZ 0.00283 0.01608 0.00269 -0.00453 0.00766 33 4 H 1S 0.05952 -0.03166 0.00969 0.00407 -0.01643 34 2S 1.58536 -0.00716 0.39490 -0.36425 -0.08100 35 5 C 1S -0.01967 -0.10312 0.00129 -0.00647 -0.05494 36 2S 0.07945 0.14531 0.00142 0.02385 0.10514 37 2PX -0.10609 -0.02723 0.01528 0.00068 -0.00155 38 2PY 0.08910 0.16137 -0.01015 0.03667 0.10190 39 2PZ -0.03213 0.00866 0.11461 -0.08196 0.05718 40 3S -0.12835 1.76602 0.04080 0.00758 0.76931 41 3PX -0.12540 -0.05532 0.10453 -0.07721 -0.01839 42 3PY -0.32307 0.37170 0.07237 -0.07624 0.60429 43 3PZ -0.12611 0.05603 0.15534 -0.16982 0.12243 44 4XX -0.00892 -0.00643 -0.00055 -0.00050 -0.00526 45 4YY 0.01064 -0.01101 0.00063 0.00577 -0.00800 46 4ZZ -0.00305 -0.00013 0.00286 -0.00417 0.00067 47 4XY 0.00114 -0.00157 0.00139 0.00131 -0.00114 48 4XZ 0.01162 0.01505 -0.00331 0.00497 0.00180 49 4YZ 0.00066 -0.00255 -0.00105 0.00319 -0.00066 50 6 C 1S 0.00350 0.05054 -0.04582 0.04989 0.01342 51 2S -0.03509 -0.07478 0.07532 -0.07329 -0.02677 52 2PX 0.10019 0.11036 -0.00437 0.01027 0.05750 53 2PY 0.05337 0.07125 -0.00141 0.04416 0.00413 54 2PZ 0.07722 -0.04000 -0.15002 0.19283 -0.09272 55 3S 0.32479 -0.82648 0.71075 -0.75983 -0.16079 56 3PX 0.02524 0.35057 0.19547 -0.27506 0.32751 57 3PY 0.33534 0.35594 0.00374 0.23671 0.00128 58 3PZ 0.29458 -0.23268 -0.58440 0.68622 -0.24417 59 4XX 0.00907 0.01568 -0.00532 0.00708 0.00588 60 4YY -0.00531 -0.01173 -0.01071 0.00703 -0.00628 61 4ZZ -0.00245 0.00309 0.00727 -0.00309 0.00285 62 4XY -0.00590 0.01578 0.00045 0.00059 0.00395 63 4XZ -0.00686 -0.00741 -0.00209 -0.00133 -0.00756 64 4YZ -0.00134 -0.01545 0.00625 -0.00787 -0.00749 65 7 H 1S 0.01831 -0.02341 -0.00483 0.02684 -0.00864 66 2S 0.29101 0.15416 -0.85439 1.17953 -0.31475 67 8 C 1S -0.00350 0.05054 0.04582 -0.04989 0.01342 68 2S 0.03509 -0.07477 -0.07533 0.07329 -0.02677 69 2PX -0.10018 0.11036 0.00438 -0.01026 0.05750 70 2PY 0.05338 -0.07125 -0.00142 0.04416 -0.00413 71 2PZ -0.07723 -0.04001 0.15002 -0.19282 -0.09273 72 3S -0.32475 -0.82641 -0.71084 0.75984 -0.16076 73 3PX -0.02518 0.35057 -0.19545 0.27505 0.32753 74 3PY 0.33537 -0.35595 0.00371 0.23670 -0.00126 75 3PZ -0.29462 -0.23274 0.58437 -0.68621 -0.24420 76 4XX -0.00907 0.01567 0.00532 -0.00708 0.00588 77 4YY 0.00531 -0.01173 0.01071 -0.00703 -0.00628 78 4ZZ 0.00245 0.00309 -0.00727 0.00309 0.00285 79 4XY -0.00590 -0.01578 0.00045 0.00059 -0.00395 80 4XZ 0.00686 -0.00741 0.00208 0.00133 -0.00756 81 4YZ -0.00134 0.01545 0.00625 -0.00787 0.00749 82 9 H 1S -0.01831 -0.02341 0.00483 -0.02684 -0.00864 83 2S -0.29110 0.15408 0.85441 -1.17951 -0.31482 84 10 C 1S 0.01966 -0.10312 -0.00130 0.00647 -0.05494 85 2S -0.07943 0.14531 -0.00140 -0.02386 0.10514 86 2PX 0.10610 -0.02724 -0.01528 -0.00067 -0.00155 87 2PY 0.08909 -0.16137 -0.01016 0.03668 -0.10190 88 2PZ 0.03214 0.00867 -0.11460 0.08196 0.05719 89 3S 0.12836 1.76602 -0.04063 -0.00761 0.76930 90 3PX 0.12540 -0.05533 -0.10453 0.07720 -0.01839 91 3PY -0.32318 -0.37171 0.07234 -0.07621 -0.60428 92 3PZ 0.12613 0.05604 -0.15533 0.16981 0.12243 93 4XX 0.00892 -0.00643 0.00055 0.00050 -0.00525 94 4YY -0.01064 -0.01101 -0.00063 -0.00577 -0.00800 95 4ZZ 0.00305 -0.00013 -0.00286 0.00417 0.00067 96 4XY 0.00114 0.00157 0.00139 0.00131 0.00114 97 4XZ -0.01162 0.01505 0.00331 -0.00497 0.00180 98 4YZ 0.00066 0.00255 -0.00105 0.00319 0.00066 99 11 O 1S 0.00470 0.01436 -0.00282 0.00160 -0.01003 100 2S 0.01128 -0.02188 -0.00146 -0.00030 0.00087 101 2PX 0.07923 -0.00367 0.00823 -0.01892 0.00327 102 2PY 0.01129 -0.07592 0.00745 0.00785 -0.02662 103 2PZ 0.01082 -0.00541 -0.08016 0.06626 -0.00570 104 3S -0.19009 -0.19959 0.06696 -0.05638 0.26535 105 3PX 0.05713 0.01041 -0.01543 0.00993 0.01317 106 3PY -0.04043 -0.15261 0.02728 -0.01663 0.05925 107 3PZ 0.03130 -0.01148 -0.07377 0.06811 -0.01865 108 4XX 0.00562 0.00267 -0.00312 0.00080 -0.01061 109 4YY 0.00313 0.00276 -0.00187 -0.00194 0.00389 110 4ZZ 0.00749 0.00689 -0.00284 0.00147 -0.00892 111 4XY -0.00299 -0.00120 0.00001 -0.00068 0.00177 112 4XZ -0.00202 0.00788 0.00193 -0.00023 0.00216 113 4YZ -0.00140 -0.00154 0.00323 -0.00222 0.00207 114 12 O 1S -0.00470 0.01436 0.00282 -0.00160 -0.01003 115 2S -0.01129 -0.02188 0.00146 0.00030 0.00087 116 2PX -0.07923 -0.00366 -0.00823 0.01892 0.00327 117 2PY 0.01129 0.07592 0.00746 0.00784 0.02663 118 2PZ -0.01083 -0.00542 0.08016 -0.06626 -0.00570 119 3S 0.19018 -0.19958 -0.06698 0.05636 0.26534 120 3PX -0.05713 0.01042 0.01543 -0.00992 0.01316 121 3PY -0.04045 0.15261 0.02729 -0.01662 -0.05925 122 3PZ -0.03131 -0.01148 0.07377 -0.06811 -0.01866 123 4XX -0.00563 0.00267 0.00312 -0.00080 -0.01061 124 4YY -0.00313 0.00276 0.00187 0.00194 0.00389 125 4ZZ -0.00749 0.00689 0.00284 -0.00147 -0.00892 126 4XY -0.00299 0.00120 0.00001 -0.00068 -0.00177 127 4XZ 0.00202 0.00788 -0.00193 0.00023 0.00216 128 4YZ -0.00140 0.00154 0.00323 -0.00222 -0.00207 129 13 C 1S -0.00503 0.00014 -0.03731 -0.03488 -0.00090 130 2S -0.00210 -0.01406 0.06337 0.02273 0.02507 131 2PX 0.00798 -0.08600 0.00707 -0.01744 0.13016 132 2PY -0.07427 0.04599 0.17757 0.11196 -0.10215 133 2PZ 0.04479 0.05150 0.07619 0.14917 -0.14908 134 3S 0.19798 0.01260 0.66020 0.85395 -0.05676 135 3PX 0.05068 -0.44151 -0.03658 0.04192 0.68205 136 3PY -0.22227 0.26617 0.59711 0.42548 -0.65402 137 3PZ 0.07760 0.32552 0.31562 0.27217 -0.68199 138 4XX 0.00015 0.00311 -0.00779 -0.00230 -0.00711 139 4YY -0.00188 -0.00757 0.00860 0.00255 0.01689 140 4ZZ 0.00231 0.00475 -0.00672 -0.00713 -0.00944 141 4XY -0.00285 0.00478 0.01100 0.01062 -0.01103 142 4XZ 0.00421 -0.00578 0.00239 0.00719 0.01167 143 4YZ -0.00003 -0.00640 -0.01417 -0.00818 0.01175 144 14 C 1S -0.00471 -0.01832 -0.02133 -0.04232 0.04283 145 2S -0.00970 -0.00780 0.05228 0.05414 -0.08298 146 2PX 0.04232 -0.00517 -0.05960 0.06563 0.07793 147 2PY -0.01699 -0.06417 0.12047 0.09635 0.07727 148 2PZ -0.02524 0.07963 -0.07318 -0.05017 -0.07048 149 3S 0.17795 0.52568 0.37404 0.67454 -0.87483 150 3PX 0.06884 -0.12896 0.07567 0.29866 0.30307 151 3PY -0.01302 -0.20419 0.51167 0.37163 0.42021 152 3PZ -0.11976 0.13547 -0.21961 -0.42533 -0.20098 153 4XX -0.00374 0.00246 0.00837 -0.00138 0.00381 154 4YY 0.00107 -0.00607 -0.01755 -0.02212 -0.00307 155 4ZZ -0.00009 -0.00457 0.00919 0.01055 0.00227 156 4XY -0.00071 -0.00720 -0.00394 -0.00727 0.01812 157 4XZ 0.00286 0.00672 -0.01255 -0.00321 -0.00026 158 4YZ -0.00010 0.00702 0.00516 0.00442 -0.01264 159 15 C 1S 0.00471 -0.01833 0.02133 0.04231 0.04283 160 2S 0.00970 -0.00779 -0.05228 -0.05414 -0.08299 161 2PX -0.04236 -0.00517 0.05960 -0.06564 0.07792 162 2PY -0.01701 0.06416 0.12048 0.09635 -0.07726 163 2PZ 0.02526 0.07962 0.07319 0.05017 -0.07048 164 3S -0.17806 0.52572 -0.37398 -0.67451 -0.87486 165 3PX -0.06890 -0.12894 -0.07567 -0.29867 0.30304 166 3PY -0.01307 0.20413 0.51169 0.37165 -0.42020 167 3PZ 0.11980 0.13545 0.21962 0.42533 -0.20096 168 4XX 0.00374 0.00246 -0.00837 0.00138 0.00381 169 4YY -0.00107 -0.00607 0.01754 0.02212 -0.00307 170 4ZZ 0.00009 -0.00456 -0.00919 -0.01055 0.00227 171 4XY -0.00071 0.00720 -0.00394 -0.00726 -0.01812 172 4XZ -0.00286 0.00672 0.01256 0.00321 -0.00026 173 4YZ -0.00010 -0.00702 0.00515 0.00442 0.01264 174 16 C 1S 0.00504 0.00013 0.03731 0.03488 -0.00089 175 2S 0.00209 -0.01405 -0.06337 -0.02273 0.02507 176 2PX -0.00797 -0.08600 -0.00708 0.01744 0.13016 177 2PY -0.07427 -0.04601 0.17757 0.11196 0.10215 178 2PZ -0.04477 0.05151 -0.07619 -0.14917 -0.14909 179 3S -0.19800 0.01269 -0.66019 -0.85394 -0.05681 180 3PX -0.05057 -0.44152 0.03653 -0.04195 0.68205 181 3PY -0.22229 -0.26622 0.59708 0.42544 0.65405 182 3PZ -0.07754 0.32555 -0.31559 -0.27213 -0.68200 183 4XX -0.00015 0.00311 0.00779 0.00230 -0.00711 184 4YY 0.00188 -0.00756 -0.00860 -0.00255 0.01689 185 4ZZ -0.00231 0.00475 0.00672 0.00713 -0.00944 186 4XY -0.00284 -0.00479 0.01100 0.01061 0.01103 187 4XZ -0.00421 -0.00578 -0.00239 -0.00719 0.01167 188 4YZ -0.00002 0.00640 -0.01417 -0.00818 -0.01175 189 17 H 1S -0.01677 -0.01440 0.07980 0.04192 0.03588 190 2S -0.35842 0.08366 0.44153 0.14882 -0.25660 191 18 H 1S -0.01267 0.01143 0.05891 -0.00201 -0.06235 192 2S -0.22896 -0.08194 0.11139 -0.43478 0.15250 193 19 H 1S 0.01267 0.01144 -0.05891 0.00201 -0.06235 194 2S 0.22912 -0.08193 -0.11142 0.43477 0.15253 195 20 H 1S 0.01677 -0.01439 -0.07980 -0.04192 0.03588 196 2S 0.35846 0.08369 -0.44153 -0.14880 -0.25662 197 21 C 1S -0.00001 0.02651 0.00000 0.00000 -0.06384 198 2S 0.00001 -0.00938 0.00000 0.00000 0.04526 199 2PX -0.00007 -0.00162 0.00001 0.00000 0.04466 200 2PY 0.00349 -0.00001 0.23477 0.20613 0.00000 201 2PZ 0.00000 0.11193 0.00001 0.00001 -0.18918 202 3S 0.00010 -0.66064 -0.00004 -0.00004 1.49240 203 3PX -0.00026 -0.01611 0.00002 0.00000 0.28213 204 3PY 0.00434 -0.00005 0.96164 0.90389 0.00002 205 3PZ -0.00001 0.56068 0.00003 0.00003 -1.08940 206 4XX 0.00000 -0.00858 0.00000 0.00000 0.01916 207 4YY 0.00000 0.01247 0.00000 0.00000 -0.02696 208 4ZZ 0.00000 0.00172 0.00000 0.00000 -0.00044 209 4XY -0.00182 0.00000 -0.01324 -0.01374 0.00000 210 4XZ 0.00000 -0.00030 0.00000 0.00000 -0.00212 211 4YZ -0.00256 0.00000 0.01854 0.01894 0.00000 212 22 H 1S -0.00001 -0.05217 0.00000 0.00000 0.10394 213 2S -0.00035 -0.06301 0.00002 -0.00001 0.28149 214 23 H 1S 0.00001 -0.02493 0.00000 0.00000 0.04907 215 2S 0.00016 -0.28703 -0.00003 -0.00001 0.30645 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 0.01627 0.00503 0.02453 0.03473 0.00634 2 2S -0.06663 0.03807 -0.01617 -0.03656 -0.09752 3 2PX 0.06993 0.01725 -0.04612 -0.02213 -0.13829 4 2PY 0.13369 -0.01323 0.07353 -0.12542 -0.06496 5 2PZ -0.02142 0.01228 -0.00855 0.03243 0.07496 6 3S -0.07895 -0.16712 -0.82236 -1.05203 0.67725 7 3PX 0.74214 -0.06990 -0.49790 -0.01394 -0.17270 8 3PY 0.52276 -0.05068 -0.28343 -0.73021 -0.65302 9 3PZ -0.46583 0.04120 0.38407 0.06188 0.24261 10 4XX -0.01804 0.00444 0.01424 -0.00890 -0.00827 11 4YY 0.02353 0.00610 -0.00947 0.00676 -0.01172 12 4ZZ -0.00791 0.00046 0.00635 -0.00094 0.00014 13 4XY 0.00473 0.00518 0.00428 0.03486 -0.00780 14 4XZ 0.01220 -0.00831 -0.01545 0.00557 0.00047 15 4YZ -0.00158 -0.00100 -0.00394 -0.02813 0.00280 16 2 H 1S -0.06403 0.00231 0.01293 -0.12396 0.00918 17 2S 0.27396 0.01333 -0.17943 0.52304 -0.15941 18 3 C 1S -0.01627 0.00503 0.02453 0.03473 -0.00634 19 2S 0.06663 0.03807 -0.01616 -0.03656 0.09751 20 2PX -0.06992 0.01726 -0.04612 -0.02213 0.13829 21 2PY 0.13369 0.01322 -0.07352 0.12542 -0.06496 22 2PZ 0.02142 0.01227 -0.00855 0.03243 -0.07496 23 3S 0.07899 -0.16713 -0.82237 -1.05199 -0.67726 24 3PX -0.74212 -0.06988 -0.49789 -0.01394 0.17270 25 3PY 0.52276 0.05066 0.28344 0.73025 -0.65301 26 3PZ 0.46582 0.04118 0.38406 0.06189 -0.24262 27 4XX 0.01804 0.00444 0.01424 -0.00890 0.00827 28 4YY -0.02353 0.00610 -0.00947 0.00676 0.01172 29 4ZZ 0.00791 0.00046 0.00635 -0.00094 -0.00014 30 4XY 0.00473 -0.00518 -0.00428 -0.03485 -0.00781 31 4XZ -0.01220 -0.00831 -0.01545 0.00558 -0.00047 32 4YZ -0.00158 0.00100 0.00394 0.02813 0.00280 33 4 H 1S 0.06404 0.00231 0.01293 -0.12395 -0.00919 34 2S -0.27396 0.01335 -0.17942 0.52303 0.15943 35 5 C 1S -0.01128 0.00174 0.03058 -0.01432 0.05017 36 2S 0.01209 0.02927 -0.03124 0.00053 0.03616 37 2PX -0.00750 -0.02433 -0.24314 -0.29377 0.03899 38 2PY 0.15684 0.02490 0.09349 -0.07664 0.02246 39 2PZ 0.03777 0.08927 0.13630 0.20724 0.09379 40 3S 0.58387 -0.10349 -0.73619 0.43753 -1.56875 41 3PX 0.06616 -0.07208 -0.64302 -1.07671 0.02055 42 3PY 1.23719 0.07433 1.34666 -1.15883 0.58877 43 3PZ 0.18516 0.11613 0.63048 0.57959 0.07447 44 4XX -0.01910 -0.00132 -0.00317 0.00644 0.00700 45 4YY 0.02639 0.00692 0.00633 -0.00420 0.00716 46 4ZZ -0.01598 -0.00089 -0.01243 0.00758 0.00249 47 4XY 0.00699 0.00249 0.00405 0.00332 -0.00016 48 4XZ 0.00847 -0.00772 -0.00862 0.00683 -0.02972 49 4YZ 0.00105 -0.00134 -0.00112 -0.00206 0.00272 50 6 C 1S -0.03488 0.00057 -0.03548 -0.04002 -0.00252 51 2S 0.07508 0.01869 0.02441 0.04007 0.06222 52 2PX -0.01162 -0.03047 -0.07099 -0.00011 -0.16065 53 2PY 0.21390 -0.02324 -0.12460 0.01857 -0.07321 54 2PZ -0.01800 0.05927 -0.00971 0.04616 0.02812 55 3S 0.30090 -0.06265 0.90695 1.20348 -0.76371 56 3PX 0.46547 -0.15062 0.00342 -0.61015 -0.31332 57 3PY 0.73192 -0.02064 -0.67049 -0.45185 -1.00095 58 3PZ -0.30716 0.04336 -0.04647 0.37071 0.16144 59 4XX 0.01027 0.00104 -0.00048 -0.01760 -0.00174 60 4YY -0.03441 -0.00164 -0.00902 0.00989 0.00221 61 4ZZ 0.01562 -0.00018 0.00676 0.00109 -0.00223 62 4XY -0.00263 -0.00190 -0.03439 -0.01117 0.00608 63 4XZ -0.01035 0.00131 -0.00940 0.01462 0.00072 64 4YZ 0.00219 0.00780 0.02683 0.01430 0.00067 65 7 H 1S 0.05374 0.02441 0.11556 0.02116 -0.01907 66 2S 0.05197 0.20541 -0.49045 -0.01099 0.02978 67 8 C 1S 0.03488 0.00057 -0.03549 -0.04002 0.00252 68 2S -0.07508 0.01869 0.02441 0.04007 -0.06221 69 2PX 0.01163 -0.03046 -0.07099 -0.00011 0.16065 70 2PY 0.21389 0.02324 0.12460 -0.01856 -0.07322 71 2PZ 0.01800 0.05927 -0.00971 0.04616 -0.02812 72 3S -0.30092 -0.06263 0.90700 1.20341 0.76373 73 3PX -0.46546 -0.15060 0.00345 -0.61014 0.31328 74 3PY 0.73192 0.02061 0.67046 0.45193 -1.00096 75 3PZ 0.30716 0.04335 -0.04645 0.37072 -0.16142 76 4XX -0.01027 0.00104 -0.00048 -0.01760 0.00174 77 4YY 0.03441 -0.00164 -0.00902 0.00989 -0.00221 78 4ZZ -0.01562 -0.00018 0.00676 0.00109 0.00223 79 4XY -0.00263 0.00190 0.03439 0.01117 0.00608 80 4XZ 0.01035 0.00131 -0.00940 0.01462 -0.00072 81 4YZ 0.00219 -0.00780 -0.02683 -0.01430 0.00067 82 9 H 1S -0.05374 0.02442 0.11556 0.02115 0.01907 83 2S -0.05195 0.20541 -0.49045 -0.01098 -0.02977 84 10 C 1S 0.01128 0.00174 0.03058 -0.01432 -0.05017 85 2S -0.01209 0.02926 -0.03124 0.00053 -0.03616 86 2PX 0.00752 -0.02434 -0.24314 -0.29376 -0.03899 87 2PY 0.15684 -0.02490 -0.09348 0.07665 0.02247 88 2PZ -0.03778 0.08927 0.13630 0.20724 -0.09379 89 3S -0.58391 -0.10344 -0.73616 0.43748 1.56879 90 3PX -0.06611 -0.07208 -0.64306 -1.07667 -0.02056 91 3PY 1.23720 -0.07433 -1.34661 1.15885 0.58884 92 3PZ -0.18517 0.11614 0.63048 0.57959 -0.07448 93 4XX 0.01910 -0.00132 -0.00317 0.00644 -0.00699 94 4YY -0.02639 0.00692 0.00633 -0.00420 -0.00716 95 4ZZ 0.01598 -0.00089 -0.01243 0.00758 -0.00249 96 4XY 0.00699 -0.00249 -0.00405 -0.00332 -0.00016 97 4XZ -0.00848 -0.00772 -0.00861 0.00683 0.02972 98 4YZ 0.00105 0.00134 0.00112 0.00206 0.00272 99 11 O 1S -0.05617 -0.00604 -0.06377 0.05179 -0.03605 100 2S 0.09805 0.00731 0.06417 -0.04681 -0.00086 101 2PX 0.01099 0.00273 0.04958 0.06662 -0.01298 102 2PY 0.11814 0.02208 0.09649 -0.07400 0.06745 103 2PZ -0.00757 -0.02139 -0.03324 -0.04628 -0.00562 104 3S 0.89303 0.10039 1.26613 -1.07137 0.87919 105 3PX 0.04460 0.01832 0.20761 0.16654 0.01983 106 3PY 0.37647 0.04894 0.51920 -0.43947 0.36821 107 3PZ -0.00313 -0.03261 -0.07355 -0.17020 0.01176 108 4XX -0.02149 -0.00476 -0.03494 0.02957 -0.02628 109 4YY 0.00524 -0.00235 0.00234 -0.00073 -0.01407 110 4ZZ -0.01892 -0.00207 -0.03778 0.03167 -0.03233 111 4XY 0.00079 -0.00148 -0.00090 -0.00750 0.00387 112 4XZ 0.00744 -0.00094 0.00029 -0.00021 -0.01058 113 4YZ 0.00186 0.00327 0.00428 0.00118 0.00668 114 12 O 1S 0.05617 -0.00604 -0.06377 0.05179 0.03605 115 2S -0.09805 0.00731 0.06416 -0.04682 0.00085 116 2PX -0.01099 0.00273 0.04957 0.06662 0.01299 117 2PY 0.11814 -0.02208 -0.09649 0.07400 0.06746 118 2PZ 0.00757 -0.02139 -0.03324 -0.04628 0.00562 119 3S -0.89302 0.10038 1.26609 -1.07135 -0.87926 120 3PX -0.04459 0.01832 0.20759 0.16655 -0.01982 121 3PY 0.37646 -0.04893 -0.51919 0.43946 0.36823 122 3PZ 0.00313 -0.03261 -0.07355 -0.17020 -0.01176 123 4XX 0.02149 -0.00476 -0.03494 0.02957 0.02628 124 4YY -0.00524 -0.00235 0.00234 -0.00073 0.01407 125 4ZZ 0.01892 -0.00207 -0.03778 0.03167 0.03234 126 4XY 0.00079 0.00148 0.00090 0.00749 0.00386 127 4XZ -0.00744 -0.00094 0.00029 -0.00021 0.01059 128 4YZ 0.00186 -0.00327 -0.00428 -0.00118 0.00668 129 13 C 1S 0.01674 -0.07957 0.01565 -0.00356 -0.03478 130 2S -0.01896 0.03621 0.00342 0.00149 -0.00491 131 2PX -0.05520 0.13404 -0.09963 0.08646 -0.09892 132 2PY 0.02103 0.16174 0.02497 -0.02840 0.13431 133 2PZ -0.06588 -0.08684 0.02374 0.02886 0.03426 134 3S -0.30630 2.45631 -0.46512 -0.00144 1.46038 135 3PX 0.00589 0.68244 -0.16517 0.02154 0.84691 136 3PY 0.14511 1.68609 0.14613 -0.17926 1.15688 137 3PZ -0.03698 -0.20614 0.20201 -0.02562 -0.59626 138 4XX 0.00217 -0.01071 -0.00186 0.00526 -0.01010 139 4YY 0.00272 0.00487 0.00141 -0.00996 0.01178 140 4ZZ 0.00111 -0.00165 0.00669 -0.00270 0.00187 141 4XY -0.00673 -0.00546 0.00479 0.00049 -0.01301 142 4XZ -0.00404 -0.00815 -0.00080 0.00227 -0.00704 143 4YZ -0.00417 -0.00537 -0.00507 0.00612 0.02233 144 14 C 1S 0.00305 0.04146 -0.01358 0.00020 0.06234 145 2S 0.00313 -0.01191 0.04739 0.06473 0.01351 146 2PX 0.01433 0.07736 -0.03190 -0.04309 0.09867 147 2PY -0.00196 -0.07593 0.01388 0.04575 -0.05903 148 2PZ 0.04878 -0.04044 -0.01043 -0.05584 -0.09417 149 3S -0.21934 -1.33483 0.34701 -0.10959 -2.90024 150 3PX 0.04912 1.01289 -0.17863 -0.04952 1.22174 151 3PY -0.25246 0.20658 -0.20204 0.03493 -1.48823 152 3PZ 0.06859 -0.76864 0.12884 0.01153 -1.01367 153 4XX 0.00556 0.02545 0.00071 -0.00806 -0.00306 154 4YY -0.00270 -0.01917 0.00819 0.01233 -0.00022 155 4ZZ -0.00382 0.00061 -0.00246 0.00828 -0.00065 156 4XY -0.00060 0.00833 -0.01021 0.00434 -0.00752 157 4XZ 0.00683 -0.01547 0.00016 -0.01220 0.01307 158 4YZ -0.00162 -0.01578 0.01058 -0.00590 0.00793 159 15 C 1S -0.00305 0.04146 -0.01359 0.00020 -0.06235 160 2S -0.00313 -0.01191 0.04739 0.06473 -0.01351 161 2PX -0.01433 0.07736 -0.03190 -0.04309 -0.09867 162 2PY -0.00196 0.07593 -0.01388 -0.04575 -0.05903 163 2PZ -0.04878 -0.04043 -0.01043 -0.05585 0.09417 164 3S 0.21934 -1.33477 0.34708 -0.10969 2.90027 165 3PX -0.04911 1.01286 -0.17866 -0.04947 -1.22176 166 3PY -0.25245 -0.20661 0.20201 -0.03489 -1.48822 167 3PZ -0.06859 -0.76862 0.12887 0.01148 1.01369 168 4XX -0.00556 0.02545 0.00071 -0.00806 0.00306 169 4YY 0.00269 -0.01917 0.00819 0.01233 0.00022 170 4ZZ 0.00382 0.00061 -0.00246 0.00828 0.00065 171 4XY -0.00060 -0.00833 0.01021 -0.00434 -0.00752 172 4XZ -0.00683 -0.01547 0.00016 -0.01220 -0.01307 173 4YZ -0.00162 0.01578 -0.01058 0.00590 0.00793 174 16 C 1S -0.01674 -0.07957 0.01565 -0.00356 0.03478 175 2S 0.01896 0.03621 0.00342 0.00149 0.00491 176 2PX 0.05519 0.13404 -0.09963 0.08646 0.09892 177 2PY 0.02102 -0.16174 -0.02497 0.02840 0.13431 178 2PZ 0.06588 -0.08684 0.02374 0.02887 -0.03425 179 3S 0.30634 2.45629 -0.46516 -0.00137 -1.46044 180 3PX -0.00590 0.68242 -0.16518 0.02158 -0.84693 181 3PY 0.14508 -1.68608 -0.14611 0.17922 1.15694 182 3PZ 0.03700 -0.20612 0.20203 -0.02565 0.59626 183 4XX -0.00217 -0.01071 -0.00186 0.00526 0.01010 184 4YY -0.00272 0.00487 0.00141 -0.00996 -0.01178 185 4ZZ -0.00111 -0.00165 0.00669 -0.00270 -0.00187 186 4XY -0.00673 0.00546 -0.00479 -0.00049 -0.01301 187 4XZ 0.00404 -0.00815 -0.00080 0.00227 0.00704 188 4YZ -0.00417 0.00537 0.00507 -0.00612 0.02233 189 17 H 1S 0.02335 -0.00005 0.01863 -0.04654 -0.00175 190 2S 0.31470 0.81110 0.24045 -0.17684 0.73473 191 18 H 1S -0.02432 -0.02286 0.04984 0.01438 0.00802 192 2S -0.03049 -0.45311 -0.02979 0.07790 -0.96520 193 19 H 1S 0.02432 -0.02286 0.04984 0.01438 -0.00802 194 2S 0.03048 -0.45309 -0.02977 0.07786 0.96521 195 20 H 1S -0.02335 -0.00005 0.01863 -0.04654 0.00175 196 2S -0.31470 0.81110 0.24045 -0.17683 -0.73477 197 21 C 1S 0.00000 0.06604 0.01791 -0.00953 0.00000 198 2S 0.00000 0.05007 -0.05721 -0.00735 0.00000 199 2PX 0.00000 -0.03235 0.07814 -0.04111 0.00000 200 2PY -0.02732 0.00000 0.00000 0.00000 -0.19964 201 2PZ 0.00000 0.09254 0.03750 -0.00443 0.00000 202 3S -0.00003 -2.22491 -0.23778 0.22341 0.00004 203 3PX -0.00001 -0.96544 0.13660 0.00327 0.00002 204 3PY -0.10079 0.00000 0.00000 -0.00001 0.49378 205 3PZ 0.00002 1.67988 0.11755 -0.21941 -0.00003 206 4XX 0.00000 -0.01182 -0.00281 0.00247 0.00000 207 4YY 0.00000 -0.00324 0.00358 0.00096 0.00000 208 4ZZ 0.00000 0.02348 -0.00177 -0.00995 0.00000 209 4XY 0.01298 0.00000 0.00000 0.00000 -0.01202 210 4XZ 0.00000 -0.01293 0.00432 -0.00008 0.00000 211 4YZ -0.00083 0.00000 0.00000 0.00000 0.02197 212 22 H 1S 0.00000 -0.02312 0.00581 -0.01284 0.00000 213 2S 0.00000 -0.47070 0.20613 -0.02115 0.00001 214 23 H 1S 0.00000 -0.05365 -0.00955 0.00062 0.00000 215 2S 0.00000 -0.16619 -0.16612 0.12278 0.00000 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 -0.06699 -0.00466 0.06021 0.10037 0.00183 2 2S 0.12629 -0.02928 -0.10674 -0.00702 0.20319 3 2PX 0.12079 -0.07253 -0.16676 -0.04270 0.09138 4 2PY -0.15572 -0.11037 -0.00323 0.18688 -0.06194 5 2PZ -0.09076 0.07899 0.14848 0.03277 -0.10157 6 3S 1.36539 0.76259 -0.92487 -3.94930 -0.25522 7 3PX 0.09579 -0.36941 -0.81302 -1.22565 -0.08205 8 3PY -1.27051 -1.09383 0.05549 2.31191 0.06705 9 3PZ -0.12232 0.29695 0.59866 0.86910 0.10433 10 4XX 0.01417 0.00361 0.00434 -0.00555 0.00375 11 4YY -0.03402 -0.01562 0.01215 0.03809 0.03344 12 4ZZ 0.01124 0.00419 -0.00662 -0.00323 0.00032 13 4XY 0.00123 -0.00183 0.00167 0.00224 0.02003 14 4XZ -0.00311 -0.00366 -0.01013 -0.01600 -0.00553 15 4YZ -0.00084 0.00400 0.00370 -0.00493 -0.01406 16 2 H 1S 0.00159 0.02620 0.06410 0.11562 -0.05028 17 2S 0.45216 -0.03325 -0.48674 -0.85268 0.08702 18 3 C 1S 0.06699 0.00466 -0.06021 -0.10037 0.00182 19 2S -0.12628 0.02928 0.10674 0.00700 0.20319 20 2PX -0.12080 0.07253 0.16677 0.04269 0.09139 21 2PY -0.15572 -0.11038 -0.00324 0.18688 0.06195 22 2PZ 0.09076 -0.07899 -0.14848 -0.03277 -0.10158 23 3S -1.36540 -0.76259 0.92488 3.94931 -0.25484 24 3PX -0.09583 0.36938 0.81302 1.22573 -0.08189 25 3PY -1.27050 -1.09384 0.05547 2.31188 -0.06689 26 3PZ 0.12233 -0.29695 -0.59866 -0.86910 0.10422 27 4XX -0.01417 -0.00361 -0.00434 0.00555 0.00375 28 4YY 0.03402 0.01562 -0.01215 -0.03809 0.03343 29 4ZZ -0.01124 -0.00419 0.00662 0.00323 0.00032 30 4XY 0.00123 -0.00183 0.00167 0.00224 -0.02003 31 4XZ 0.00311 0.00366 0.01013 0.01600 -0.00552 32 4YZ -0.00084 0.00400 0.00370 -0.00493 0.01406 33 4 H 1S -0.00159 -0.02620 -0.06410 -0.11561 -0.05030 34 2S -0.45216 0.03325 0.48673 0.85267 0.08711 35 5 C 1S 0.00710 0.06712 0.08853 0.05193 -0.00339 36 2S -0.03741 -0.04023 -0.15357 -0.21816 0.29566 37 2PX -0.14717 -0.03777 0.00458 0.11249 0.03011 38 2PY -0.05073 0.01267 -0.01987 -0.15064 0.09123 39 2PZ 0.09088 0.02311 -0.13707 0.04712 0.03513 40 3S -0.09009 -1.71667 -1.79443 -0.57386 -0.57999 41 3PX -0.15607 0.07775 0.17983 -0.15271 -0.20785 42 3PY -0.55181 0.15338 -0.26691 -2.62191 0.15974 43 3PZ -0.01559 -0.04373 -0.09768 -0.21496 0.05623 44 4XX -0.00105 0.00637 0.00706 -0.03166 0.03130 45 4YY -0.00156 0.01076 0.01232 0.04058 -0.00058 46 4ZZ 0.00261 -0.00460 -0.01329 -0.01354 0.02082 47 4XY 0.02673 0.01170 -0.00462 0.00049 -0.00345 48 4XZ 0.00408 -0.02330 -0.01325 0.02861 -0.04173 49 4YZ -0.01720 -0.00436 0.01073 0.01048 -0.00547 50 6 C 1S -0.08550 -0.04197 -0.02570 -0.07423 -0.00691 51 2S 0.10726 0.09333 0.05437 0.00813 0.16163 52 2PX -0.08131 -0.18519 -0.08468 0.09544 -0.26377 53 2PY 0.17687 0.00755 -0.06498 0.17719 0.14655 54 2PZ 0.11934 0.12391 0.08264 0.05214 -0.01755 55 3S 1.93756 0.42933 0.39032 2.96670 0.18839 56 3PX -0.48164 -0.45062 -0.43629 -1.17640 0.20508 57 3PY 1.46715 0.02734 -0.08343 1.83485 -0.32493 58 3PZ 0.46279 0.42843 0.29371 0.72283 0.15872 59 4XX 0.00432 0.00559 -0.00565 -0.00094 0.02113 60 4YY -0.03001 -0.00624 0.00914 -0.01660 0.03850 61 4ZZ 0.01165 0.00074 0.00303 0.01201 -0.03908 62 4XY -0.00229 0.00324 0.00366 -0.00717 0.00223 63 4XZ 0.00501 0.00372 0.00511 0.00914 -0.01324 64 4YZ -0.00180 -0.00073 0.00075 -0.00351 -0.02772 65 7 H 1S -0.02462 -0.02479 -0.00914 -0.07178 -0.07407 66 2S 0.57646 0.37978 0.17688 0.62820 0.06201 67 8 C 1S 0.08550 0.04197 0.02570 0.07423 -0.00690 68 2S -0.10726 -0.09333 -0.05437 -0.00815 0.16163 69 2PX 0.08131 0.18519 0.08468 -0.09540 -0.26379 70 2PY 0.17687 0.00755 -0.06498 0.17721 -0.14651 71 2PZ -0.11934 -0.12391 -0.08264 -0.05214 -0.01757 72 3S -1.93756 -0.42935 -0.39037 -2.96672 0.18811 73 3PX 0.48166 0.45063 0.43630 1.17640 0.20516 74 3PY 1.46714 0.02733 -0.08346 1.83479 0.32517 75 3PZ -0.46280 -0.42843 -0.29372 -0.72286 0.15869 76 4XX -0.00432 -0.00559 0.00565 0.00094 0.02113 77 4YY 0.03001 0.00624 -0.00914 0.01660 0.03850 78 4ZZ -0.01165 -0.00074 -0.00303 -0.01200 -0.03908 79 4XY -0.00229 0.00324 0.00366 -0.00717 -0.00223 80 4XZ -0.00501 -0.00372 -0.00511 -0.00914 -0.01324 81 4YZ -0.00180 -0.00073 0.00075 -0.00352 0.02771 82 9 H 1S 0.02462 0.02479 0.00913 0.07179 -0.07406 83 2S -0.57647 -0.37978 -0.17688 -0.62821 0.06194 84 10 C 1S -0.00710 -0.06712 -0.08853 -0.05193 -0.00339 85 2S 0.03741 0.04023 0.15357 0.21813 0.29569 86 2PX 0.14716 0.03777 -0.00458 -0.11250 0.03008 87 2PY -0.05074 0.01266 -0.01987 -0.15063 -0.09125 88 2PZ -0.09088 -0.02311 0.13706 -0.04714 0.03513 89 3S 0.09008 1.71667 1.79446 0.57390 -0.57995 90 3PX 0.15605 -0.07774 -0.17981 0.15266 -0.20789 91 3PY -0.55184 0.15337 -0.26693 -2.62190 -0.15999 92 3PZ 0.01560 0.04372 0.09766 0.21497 0.05630 93 4XX 0.00105 -0.00636 -0.00706 0.03166 0.03131 94 4YY 0.00156 -0.01076 -0.01232 -0.04058 -0.00059 95 4ZZ -0.00261 0.00460 0.01329 0.01354 0.02082 96 4XY 0.02673 0.01170 -0.00462 0.00048 0.00345 97 4XZ -0.00408 0.02330 0.01325 -0.02861 -0.04173 98 4YZ -0.01720 -0.00436 0.01073 0.01048 0.00547 99 11 O 1S 0.01822 -0.03026 -0.02724 0.04388 -0.00793 100 2S -0.01273 0.03292 0.06755 0.06095 -0.04078 101 2PX 0.13243 0.05155 -0.00839 -0.00399 -0.00923 102 2PY -0.01610 0.07819 0.10643 0.10066 -0.04024 103 2PZ -0.08252 -0.01980 0.02275 0.04284 -0.00585 104 3S -0.41471 0.58753 0.32833 -1.66913 0.33700 105 3PX 0.10959 0.05466 -0.01929 -0.09444 0.04623 106 3PY -0.15981 0.29992 0.25095 -0.52480 0.13171 107 3PZ -0.08384 0.00264 0.05300 -0.03157 -0.00005 108 4XX 0.00704 -0.01179 0.00266 0.04916 -0.01794 109 4YY 0.00031 -0.00680 -0.00122 -0.00366 -0.00658 110 4ZZ 0.01620 -0.01573 -0.00409 0.06016 -0.02585 111 4XY -0.01358 -0.00343 0.00067 0.00095 0.00567 112 4XZ 0.00003 -0.01170 -0.00657 0.01029 -0.00943 113 4YZ 0.00722 0.00495 -0.00709 -0.00482 0.00380 114 12 O 1S -0.01822 0.03026 0.02724 -0.04388 -0.00794 115 2S 0.01274 -0.03292 -0.06755 -0.06094 -0.04079 116 2PX -0.13243 -0.05154 0.00839 0.00400 -0.00923 117 2PY -0.01610 0.07820 0.10643 0.10066 0.04025 118 2PZ 0.08252 0.01980 -0.02275 -0.04284 -0.00586 119 3S 0.41474 -0.58752 -0.32831 1.66911 0.33717 120 3PX -0.10959 -0.05465 0.01929 0.09442 0.04625 121 3PY -0.15982 0.29992 0.25094 -0.52479 -0.13176 122 3PZ 0.08384 -0.00263 -0.05300 0.03157 -0.00005 123 4XX -0.00704 0.01179 -0.00266 -0.04916 -0.01795 124 4YY -0.00030 0.00680 0.00122 0.00367 -0.00658 125 4ZZ -0.01620 0.01573 0.00409 -0.06015 -0.02586 126 4XY -0.01358 -0.00343 0.00067 0.00095 -0.00567 127 4XZ -0.00003 0.01170 0.00657 -0.01029 -0.00943 128 4YZ 0.00722 0.00495 -0.00709 -0.00482 -0.00380 129 13 C 1S -0.00017 0.01701 0.03391 -0.02705 -0.00949 130 2S -0.02659 -0.00245 0.00202 -0.01382 0.02311 131 2PX -0.03573 0.07222 -0.08024 0.15240 -0.27912 132 2PY 0.00624 -0.10131 0.00158 -0.03390 0.10424 133 2PZ 0.05917 -0.19765 0.14156 -0.04539 0.08923 134 3S 0.01841 -0.38538 -1.38105 0.87158 0.07048 135 3PX -0.15124 0.40562 -1.13138 0.42566 0.26911 136 3PY 0.23220 -0.68846 -0.28310 0.20327 0.10651 137 3PZ 0.22973 -0.50908 1.04778 -0.55608 -0.09401 138 4XX 0.00666 -0.00532 0.02036 -0.00362 -0.02002 139 4YY -0.00563 0.00351 -0.01067 -0.00336 0.01417 140 4ZZ -0.00345 0.00438 -0.00398 -0.00729 0.01807 141 4XY -0.01228 0.00955 0.00551 -0.01056 -0.01010 142 4XZ 0.00034 0.00556 -0.01042 0.01159 0.01354 143 4YZ -0.00358 -0.00917 -0.01782 0.00585 0.01886 144 14 C 1S 0.01817 -0.04884 -0.03266 0.03234 -0.00383 145 2S -0.01965 0.02652 0.02575 -0.02836 -0.16971 146 2PX -0.02318 0.05911 -0.16494 0.05329 0.12868 147 2PY -0.09314 0.19696 -0.15450 -0.00844 0.11682 148 2PZ -0.01060 0.03742 0.09690 -0.10198 -0.07676 149 3S -0.67455 1.76892 1.20286 -0.89651 0.16744 150 3PX -0.10128 0.08351 -1.34898 0.68698 -0.14364 151 3PY -0.89467 2.07399 -0.59275 0.06514 -0.19070 152 3PZ 0.01306 0.03494 0.91171 -0.45675 0.11454 153 4XX -0.00712 0.01367 -0.01145 -0.00296 -0.01492 154 4YY 0.00719 -0.01528 0.01448 0.00898 -0.00597 155 4ZZ -0.00124 -0.00070 0.00033 0.00133 -0.01771 156 4XY -0.00038 0.00244 0.00160 0.00089 0.00379 157 4XZ 0.00630 -0.00715 0.00039 -0.01270 0.03293 158 4YZ -0.00069 -0.00360 -0.00180 -0.00152 0.00800 159 15 C 1S -0.01817 0.04884 0.03267 -0.03234 -0.00384 160 2S 0.01965 -0.02652 -0.02575 0.02839 -0.16970 161 2PX 0.02318 -0.05911 0.16494 -0.05331 0.12867 162 2PY -0.09314 0.19696 -0.15449 -0.00843 -0.11682 163 2PZ 0.01060 -0.03742 -0.09690 0.10199 -0.07675 164 3S 0.67455 -1.76892 -1.20288 0.89648 0.16754 165 3PX 0.10128 -0.08351 1.34899 -0.68696 -0.14370 166 3PY -0.89466 2.07399 -0.59277 0.06513 0.19069 167 3PZ -0.01305 -0.03494 -0.91172 0.45674 0.11459 168 4XX 0.00712 -0.01367 0.01145 0.00296 -0.01492 169 4YY -0.00719 0.01528 -0.01448 -0.00898 -0.00597 170 4ZZ 0.00124 0.00070 -0.00033 -0.00132 -0.01771 171 4XY -0.00038 0.00244 0.00160 0.00089 -0.00379 172 4XZ -0.00630 0.00715 -0.00039 0.01270 0.03293 173 4YZ -0.00069 -0.00360 -0.00180 -0.00152 -0.00800 174 16 C 1S 0.00017 -0.01701 -0.03391 0.02705 -0.00949 175 2S 0.02659 0.00245 -0.00202 0.01382 0.02312 176 2PX 0.03573 -0.07222 0.08024 -0.15238 -0.27914 177 2PY 0.00624 -0.10131 0.00158 -0.03388 -0.10425 178 2PZ -0.05917 0.19765 -0.14157 0.04537 0.08922 179 3S -0.01841 0.38540 1.38106 -0.87158 0.07038 180 3PX 0.15124 -0.40562 1.13138 -0.42568 0.26907 181 3PY 0.23218 -0.68847 -0.28309 0.20325 -0.10648 182 3PZ -0.22973 0.50909 -1.04780 0.55610 -0.09395 183 4XX -0.00666 0.00532 -0.02036 0.00362 -0.02002 184 4YY 0.00563 -0.00351 0.01066 0.00337 0.01417 185 4ZZ 0.00345 -0.00438 0.00398 0.00729 0.01807 186 4XY -0.01228 0.00955 0.00551 -0.01056 0.01010 187 4XZ -0.00034 -0.00556 0.01042 -0.01160 0.01354 188 4YZ -0.00358 -0.00917 -0.01782 0.00585 -0.01886 189 17 H 1S -0.02442 0.05841 -0.00376 -0.02496 -0.08676 190 2S 0.09581 -0.19491 -0.20926 0.05107 0.10657 191 18 H 1S -0.01525 -0.00434 -0.02460 0.05771 -0.06675 192 2S -0.20449 0.48711 0.40613 -0.28733 0.01451 193 19 H 1S 0.01525 0.00434 0.02460 -0.05770 -0.06676 194 2S 0.20449 -0.48711 -0.40613 0.28733 0.01455 195 20 H 1S 0.02443 -0.05841 0.00376 0.02498 -0.08675 196 2S -0.09581 0.19491 0.20926 -0.05107 0.10656 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.03494 198 2S 0.00000 0.00000 0.00000 0.00000 0.03942 199 2PX 0.00000 0.00000 0.00000 0.00001 -0.06698 200 2PY 0.06163 -0.08861 0.24484 -0.04659 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00001 -0.23739 202 3S 0.00000 -0.00001 0.00001 0.00000 -0.36165 203 3PX 0.00000 -0.00001 0.00000 -0.00001 0.08858 204 3PY 0.34038 -1.10121 0.53083 -0.25468 -0.00001 205 3PZ 0.00000 0.00000 -0.00001 -0.00003 0.76368 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00996 207 4YY 0.00000 0.00000 0.00000 0.00000 0.03711 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.01493 209 4XY 0.00662 0.00313 0.02113 -0.00987 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 -0.04963 211 4YZ 0.00723 -0.02806 0.00791 -0.00635 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.10566 213 2S 0.00000 0.00000 0.00000 -0.00001 0.11987 214 23 H 1S 0.00000 0.00000 0.00000 0.00002 -0.23846 215 2S 0.00000 0.00000 0.00000 0.00000 -0.08463 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 -0.01833 -0.00974 0.01022 -0.02311 0.00931 2 2S 0.06070 -0.16646 -0.01679 -0.14051 0.01791 3 2PX 0.12341 0.21471 -0.03112 0.24440 0.04815 4 2PY 0.09227 0.18318 -0.20383 0.30735 0.06273 5 2PZ -0.08877 0.22692 0.15671 -0.06053 0.02340 6 3S -0.89193 0.07204 0.11581 -0.22675 -0.62435 7 3PX 0.75155 -0.19759 0.07322 -0.37985 0.04673 8 3PY 2.36074 -0.30150 0.33767 -0.56321 0.89445 9 3PZ -0.64956 -0.11192 -0.14191 0.16824 -0.18449 10 4XX -0.00299 0.00552 -0.01850 -0.00878 0.00008 11 4YY -0.01881 -0.04271 0.03060 -0.04929 0.00544 12 4ZZ 0.00141 0.00010 -0.01579 0.00691 0.00060 13 4XY -0.00876 -0.01625 0.00520 -0.00855 -0.00135 14 4XZ 0.02186 0.00899 0.01304 0.03870 -0.00348 15 4YZ 0.00810 0.00215 -0.00776 -0.00343 0.00327 16 2 H 1S -0.07181 -0.01988 -0.02643 -0.16659 0.02052 17 2S -0.09609 -0.05747 0.04021 0.01182 -0.12679 18 3 C 1S 0.01833 -0.00974 0.01022 -0.02311 -0.00932 19 2S -0.06068 -0.16647 -0.01679 -0.14051 -0.01790 20 2PX -0.12340 0.21470 -0.03112 0.24440 -0.04811 21 2PY 0.09227 -0.18318 0.20383 -0.30736 0.06271 22 2PZ 0.08875 0.22692 0.15672 -0.06053 -0.02342 23 3S 0.89191 0.07221 0.11588 -0.22676 0.62432 24 3PX -0.75149 -0.19760 0.07323 -0.37980 -0.04676 25 3PY 2.36075 0.30175 -0.33761 0.56313 0.89449 26 3PZ 0.64957 -0.11189 -0.14192 0.16820 0.18453 27 4XX 0.00299 0.00552 -0.01850 -0.00878 -0.00008 28 4YY 0.01882 -0.04271 0.03060 -0.04929 -0.00544 29 4ZZ -0.00141 0.00010 -0.01579 0.00691 -0.00060 30 4XY -0.00876 0.01624 -0.00519 0.00854 -0.00136 31 4XZ -0.02186 0.00899 0.01304 0.03870 0.00348 32 4YZ 0.00810 -0.00215 0.00776 0.00343 0.00327 33 4 H 1S 0.07181 -0.01988 -0.02643 -0.16659 -0.02055 34 2S 0.09609 -0.05744 0.04023 0.01182 0.12681 35 5 C 1S 0.01114 0.00684 0.01323 0.01835 0.00340 36 2S -0.04056 -0.13558 -0.13376 -0.21670 -0.03361 37 2PX -0.44436 0.25141 -0.02041 0.00471 -0.07008 38 2PY 0.01866 -0.07238 -0.10031 -0.15209 -0.06157 39 2PZ 0.28992 0.29612 0.22000 -0.04792 0.06346 40 3S -0.14334 0.21051 0.24036 0.67834 0.06303 41 3PX -1.60209 -0.24911 -0.00697 -0.17271 -0.59111 42 3PY -0.09891 -0.06900 -0.00443 0.13552 -0.30538 43 3PZ 1.18806 -0.23450 -0.18634 0.15276 0.24680 44 4XX 0.00661 -0.02111 0.00003 0.01242 -0.01102 45 4YY 0.00099 0.00983 -0.00526 -0.01160 0.00063 46 4ZZ -0.00790 -0.00708 -0.00209 -0.00453 0.00432 47 4XY 0.02186 -0.01601 0.03583 -0.01543 0.00075 48 4XZ 0.00238 0.01240 -0.01048 -0.02480 -0.00450 49 4YZ -0.01225 0.00771 -0.02932 0.01226 -0.00894 50 6 C 1S -0.02360 0.00360 -0.03035 -0.01056 -0.01649 51 2S 0.12514 -0.10265 -0.12873 -0.02962 -0.14678 52 2PX -0.10254 0.23621 -0.16722 -0.13898 -0.21550 53 2PY -0.12464 0.01975 -0.37941 0.03139 -0.01383 54 2PZ 0.12856 0.11512 0.19061 -0.02916 -0.09016 55 3S -0.37673 0.09691 0.09994 0.20395 0.74151 56 3PX -1.23537 -0.25594 0.22607 0.23067 0.09312 57 3PY -2.04891 -0.04356 0.45624 -0.16175 -0.40211 58 3PZ 0.42212 -0.06544 -0.25022 -0.04146 0.50136 59 4XX -0.00446 0.00081 0.01889 -0.01471 -0.00896 60 4YY -0.00838 -0.00575 -0.06536 0.01127 -0.01298 61 4ZZ 0.01301 -0.01310 0.00184 -0.01349 -0.01464 62 4XY -0.01430 -0.00147 -0.02097 -0.02040 0.00518 63 4XZ 0.01654 0.01242 0.03086 0.02456 0.02123 64 4YZ 0.00692 -0.00652 -0.00317 -0.01121 0.00641 65 7 H 1S -0.03971 -0.05556 -0.14551 -0.10865 -0.04486 66 2S -0.04932 0.01688 -0.14453 -0.11319 -0.00718 67 8 C 1S 0.02360 0.00360 -0.03035 -0.01056 0.01648 68 2S -0.12512 -0.10266 -0.12875 -0.02963 0.14682 69 2PX 0.10251 0.23622 -0.16722 -0.13899 0.21547 70 2PY -0.12466 -0.01976 0.37941 -0.03137 -0.01381 71 2PZ -0.12857 0.11511 0.19060 -0.02916 0.09020 72 3S 0.37668 0.09684 0.09992 0.20395 -0.74158 73 3PX 1.23536 -0.25581 0.22611 0.23064 -0.09310 74 3PY -2.04893 0.04345 -0.45623 0.16186 -0.40216 75 3PZ -0.42211 -0.06550 -0.25022 -0.04142 -0.50140 76 4XX 0.00446 0.00081 0.01889 -0.01471 0.00896 77 4YY 0.00839 -0.00575 -0.06536 0.01127 0.01298 78 4ZZ -0.01301 -0.01310 0.00184 -0.01349 0.01464 79 4XY -0.01430 0.00147 0.02097 0.02040 0.00518 80 4XZ -0.01654 0.01242 0.03086 0.02456 -0.02122 81 4YZ 0.00693 0.00652 0.00317 0.01121 0.00641 82 9 H 1S 0.03971 -0.05555 -0.14551 -0.10865 0.04484 83 2S 0.04933 0.01687 -0.14455 -0.11320 0.00720 84 10 C 1S -0.01114 0.00684 0.01323 0.01835 -0.00340 85 2S 0.04058 -0.13557 -0.13376 -0.21669 0.03362 86 2PX 0.44434 0.25144 -0.02040 0.00470 0.07007 87 2PY 0.01864 0.07236 0.10030 0.15209 -0.06156 88 2PZ -0.28995 0.29609 0.21999 -0.04791 -0.06345 89 3S 0.14335 0.21054 0.24037 0.67832 -0.06298 90 3PX 1.60211 -0.24896 -0.00695 -0.17280 0.59110 91 3PY -0.09899 0.06893 0.00439 -0.13554 -0.30542 92 3PZ -1.18805 -0.23458 -0.18635 0.15281 -0.24681 93 4XX -0.00661 -0.02111 0.00003 0.01242 0.01103 94 4YY -0.00099 0.00983 -0.00526 -0.01160 -0.00064 95 4ZZ 0.00790 -0.00708 -0.00209 -0.00453 -0.00432 96 4XY 0.02187 0.01601 -0.03583 0.01543 0.00075 97 4XZ -0.00238 0.01240 -0.01048 -0.02480 0.00449 98 4YZ -0.01225 -0.00772 0.02932 -0.01225 -0.00894 99 11 O 1S -0.00303 0.00222 0.00358 0.00288 0.00981 100 2S 0.01810 0.02891 0.00890 0.00424 0.00299 101 2PX -0.01884 -0.04166 0.13027 -0.07618 0.00419 102 2PY 0.01832 0.03477 0.00449 0.00599 -0.00006 103 2PZ 0.00852 0.05003 -0.08249 0.03596 0.00762 104 3S -0.04334 -0.16501 -0.10977 -0.09481 -0.27030 105 3PX 0.25883 0.00900 0.01664 0.02145 0.06724 106 3PY 0.00255 -0.06096 -0.05877 -0.07123 -0.11464 107 3PZ -0.18949 0.01958 -0.00346 -0.01276 -0.05371 108 4XX 0.00038 0.01646 0.00359 0.00879 0.00890 109 4YY 0.00155 -0.00426 0.00142 0.00339 0.00495 110 4ZZ 0.00304 0.01471 0.01066 -0.00242 0.00866 111 4XY -0.01526 0.01864 -0.01307 0.00863 0.00026 112 4XZ 0.00185 0.00654 0.00008 0.00270 -0.00088 113 4YZ 0.00836 0.01373 0.02270 -0.00718 0.00197 114 12 O 1S 0.00303 0.00222 0.00358 0.00288 -0.00981 115 2S -0.01810 0.02890 0.00890 0.00424 -0.00298 116 2PX 0.01884 -0.04166 0.13027 -0.07619 -0.00419 117 2PY 0.01832 -0.03477 -0.00449 -0.00599 -0.00006 118 2PZ -0.00852 0.05003 -0.08249 0.03597 -0.00762 119 3S 0.04337 -0.16496 -0.10975 -0.09479 0.27031 120 3PX -0.25883 0.00899 0.01664 0.02146 -0.06725 121 3PY 0.00254 0.06095 0.05876 0.07122 -0.11464 122 3PZ 0.18949 0.01960 -0.00346 -0.01277 0.05371 123 4XX -0.00038 0.01646 0.00359 0.00879 -0.00890 124 4YY -0.00155 -0.00426 0.00142 0.00339 -0.00495 125 4ZZ -0.00304 0.01471 0.01066 -0.00242 -0.00866 126 4XY -0.01526 -0.01865 0.01307 -0.00863 0.00026 127 4XZ -0.00185 0.00654 0.00008 0.00270 0.00088 128 4YZ 0.00836 -0.01373 -0.02270 0.00718 0.00197 129 13 C 1S -0.00057 -0.01829 0.01358 0.01278 -0.02843 130 2S -0.01501 -0.02351 -0.15878 -0.07223 -0.02627 131 2PX 0.14516 -0.00582 -0.11338 -0.05408 -0.28197 132 2PY -0.03022 0.01091 -0.03537 0.11415 0.08092 133 2PZ 0.08111 0.14885 0.02528 -0.01885 -0.19995 134 3S 0.02395 0.44906 -0.17523 -0.42920 -0.20491 135 3PX -0.26016 0.01993 0.02333 -0.04721 0.60813 136 3PY 0.06755 0.36616 -0.20904 -0.60681 -0.17625 137 3PZ -0.05670 -0.30536 0.08196 0.15374 0.30746 138 4XX 0.00717 -0.02607 -0.00604 0.02802 -0.00137 139 4YY -0.00480 0.01982 -0.00839 -0.06722 -0.04391 140 4ZZ -0.00668 -0.00636 0.00088 0.02505 0.00855 141 4XY 0.00731 -0.00841 -0.01064 0.00268 -0.00842 142 4XZ -0.00434 0.01228 0.02610 -0.00005 0.05421 143 4YZ 0.00802 0.00935 -0.01764 -0.00166 -0.03808 144 14 C 1S -0.00330 0.00717 -0.01243 -0.01463 0.00021 145 2S 0.04596 0.08231 -0.30240 -0.26082 -0.14954 146 2PX -0.03549 0.11310 0.06318 -0.16298 0.01962 147 2PY -0.07089 0.16164 -0.09293 -0.15417 0.16705 148 2PZ 0.00602 -0.09439 0.07069 0.02863 -0.21522 149 3S 0.16898 -0.25484 0.47178 0.50701 0.06603 150 3PX -0.13072 -0.01208 -0.15464 0.05067 -0.00160 151 3PY 0.16303 -0.23293 0.05880 0.21031 -0.13806 152 3PZ 0.05541 0.08060 0.01800 -0.01369 0.03460 153 4XX -0.01099 -0.00718 -0.01188 -0.01218 0.01333 154 4YY 0.01698 0.03186 -0.04512 -0.05411 -0.03791 155 4ZZ 0.00777 -0.00340 -0.00925 0.00069 -0.01127 156 4XY 0.00264 -0.00907 -0.00667 0.01824 -0.00108 157 4XZ -0.01662 -0.00856 0.04423 0.03800 0.01695 158 4YZ -0.00017 0.00926 0.00043 -0.02307 0.00381 159 15 C 1S 0.00330 0.00717 -0.01242 -0.01463 -0.00021 160 2S -0.04597 0.08231 -0.30241 -0.26082 0.14954 161 2PX 0.03548 0.11311 0.06318 -0.16299 -0.01962 162 2PY -0.07087 -0.16165 0.09292 0.15417 0.16711 163 2PZ -0.00602 -0.09439 0.07067 0.02862 0.21526 164 3S -0.16896 -0.25482 0.47177 0.50703 -0.06599 165 3PX 0.13073 -0.01209 -0.15463 0.05065 0.00158 166 3PY 0.16300 0.23293 -0.05879 -0.21030 -0.13813 167 3PZ -0.05541 0.08061 0.01800 -0.01367 -0.03460 168 4XX 0.01099 -0.00718 -0.01188 -0.01218 -0.01334 169 4YY -0.01698 0.03186 -0.04513 -0.05411 0.03790 170 4ZZ -0.00777 -0.00340 -0.00925 0.00068 0.01127 171 4XY 0.00264 0.00907 0.00667 -0.01824 -0.00107 172 4XZ 0.01663 -0.00856 0.04423 0.03800 -0.01695 173 4YZ -0.00017 -0.00926 -0.00043 0.02307 0.00381 174 16 C 1S 0.00057 -0.01829 0.01357 0.01278 0.02844 175 2S 0.01501 -0.02351 -0.15878 -0.07223 0.02627 176 2PX -0.14516 -0.00583 -0.11339 -0.05410 0.28198 177 2PY -0.03023 -0.01091 0.03537 -0.11415 0.08094 178 2PZ -0.08112 0.14885 0.02527 -0.01887 0.19996 179 3S -0.02398 0.44905 -0.17522 -0.42924 0.20484 180 3PX 0.26015 0.01994 0.02336 -0.04721 -0.60820 181 3PY 0.06759 -0.36614 0.20905 0.60682 -0.17621 182 3PZ 0.05671 -0.30536 0.08197 0.15378 -0.30746 183 4XX -0.00717 -0.02607 -0.00604 0.02802 0.00137 184 4YY 0.00480 0.01982 -0.00839 -0.06723 0.04392 185 4ZZ 0.00668 -0.00636 0.00088 0.02505 -0.00855 186 4XY 0.00731 0.00841 0.01064 -0.00268 -0.00843 187 4XZ 0.00433 0.01228 0.02611 -0.00005 -0.05421 188 4YZ 0.00802 -0.00935 0.01764 0.00166 -0.03808 189 17 H 1S -0.00427 0.00494 0.03753 -0.15804 -0.23583 190 2S 0.01284 0.13306 -0.10663 -0.10744 -0.00935 191 18 H 1S 0.05439 0.09145 -0.10147 -0.24050 -0.06345 192 2S 0.07285 -0.05231 0.02577 0.08174 -0.07403 193 19 H 1S -0.05440 0.09145 -0.10147 -0.24050 0.06346 194 2S -0.07284 -0.05230 0.02576 0.08175 0.07403 195 20 H 1S 0.00426 0.00494 0.03752 -0.15805 0.23588 196 2S -0.01285 0.13305 -0.10663 -0.10744 0.00930 197 21 C 1S 0.00000 0.01620 -0.00021 -0.01261 0.00000 198 2S 0.00000 0.06676 -0.02813 -0.06177 0.00001 199 2PX 0.00000 -0.01742 0.01278 -0.14531 -0.00002 200 2PY -0.01472 0.00000 -0.00002 -0.00002 0.62155 201 2PZ 0.00000 -0.12431 0.09079 0.19703 -0.00001 202 3S 0.00003 -0.56109 0.13082 0.69586 0.00000 203 3PX 0.00001 -0.10393 0.18415 0.37564 0.00007 204 3PY 0.07195 0.00000 0.00002 0.00001 -0.73913 205 3PZ -0.00001 0.57860 -0.26315 -0.65144 -0.00003 206 4XX 0.00000 -0.01144 0.01735 0.00099 0.00000 207 4YY 0.00000 0.01285 -0.01315 0.03408 0.00000 208 4ZZ 0.00000 0.01189 0.00054 -0.02602 0.00000 209 4XY -0.00180 0.00000 0.00000 0.00000 -0.00888 210 4XZ 0.00000 -0.03670 -0.00182 0.01393 0.00000 211 4YZ -0.00675 0.00000 0.00000 0.00000 0.00430 212 22 H 1S 0.00000 0.02159 0.08584 -0.05007 0.00002 213 2S 0.00000 0.06038 0.18743 0.12365 0.00004 214 23 H 1S 0.00000 -0.10310 -0.03406 -0.05253 0.00000 215 2S 0.00000 0.06013 -0.03610 0.01240 0.00001 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 -0.01378 0.01076 0.01178 -0.01085 0.00042 2 2S 0.09154 0.08938 0.14401 0.02389 0.18023 3 2PX 0.19076 0.02479 0.01912 0.17961 -0.13801 4 2PY 0.13204 -0.08978 -0.06713 -0.01982 0.07872 5 2PZ -0.18986 0.18623 0.04181 0.23423 -0.44528 6 3S -0.13742 0.07287 -0.03089 0.74347 -0.13790 7 3PX -0.21878 0.06045 -0.03868 -0.09603 0.13402 8 3PY -0.19676 0.19922 0.18149 -0.74002 -0.08592 9 3PZ 0.21770 -0.21784 -0.06170 -0.25989 0.45843 10 4XX -0.00974 0.01366 0.01075 0.01225 0.00177 11 4YY 0.00137 0.01874 0.02210 0.00807 0.01346 12 4ZZ 0.00790 -0.00213 0.00868 -0.00861 0.02574 13 4XY 0.01938 -0.00461 -0.00507 0.01353 0.01573 14 4XZ 0.01824 -0.02752 -0.03366 0.00312 -0.02668 15 4YZ -0.01010 -0.01092 0.00131 0.00442 0.03238 16 2 H 1S -0.16009 0.11742 0.12796 -0.01622 0.05258 17 2S 0.06162 -0.00384 -0.07024 0.18837 -0.03583 18 3 C 1S -0.01378 0.01076 0.01178 0.01085 0.00042 19 2S 0.09154 0.08938 0.14401 -0.02389 0.18023 20 2PX 0.19077 0.02479 0.01912 -0.17960 -0.13801 21 2PY -0.13206 0.08978 0.06713 -0.01982 -0.07872 22 2PZ -0.18985 0.18622 0.04181 -0.23422 -0.44528 23 3S -0.13754 0.07283 -0.03093 -0.74346 -0.13787 24 3PX -0.21878 0.06045 -0.03867 0.09599 0.13403 25 3PY 0.19661 -0.19926 -0.18156 -0.74002 0.08595 26 3PZ 0.21768 -0.21784 -0.06172 0.25988 0.45844 27 4XX -0.00974 0.01366 0.01075 -0.01225 0.00177 28 4YY 0.00137 0.01874 0.02210 -0.00807 0.01346 29 4ZZ 0.00790 -0.00213 0.00868 0.00861 0.02574 30 4XY -0.01938 0.00461 0.00507 0.01353 -0.01573 31 4XZ 0.01824 -0.02751 -0.03366 -0.00312 -0.02668 32 4YZ 0.01009 0.01092 -0.00130 0.00442 -0.03238 33 4 H 1S -0.16009 0.11742 0.12796 0.01621 0.05258 34 2S 0.06159 -0.00385 -0.07025 -0.18837 -0.03583 35 5 C 1S 0.01710 -0.01238 0.00732 -0.00302 0.00398 36 2S 0.12948 0.10142 -0.03684 -0.04147 0.01108 37 2PX 0.03360 0.00497 -0.18108 -0.13041 -0.08018 38 2PY -0.03231 0.08962 0.10782 0.10890 -0.07228 39 2PZ 0.02853 0.11377 0.02271 -0.32965 0.06522 40 3S 0.04458 -0.34988 -0.11558 -0.07165 0.36433 41 3PX -0.03662 0.14941 0.40471 0.42659 0.29125 42 3PY -0.00903 0.09803 0.27553 0.44786 0.01422 43 3PZ -0.01291 -0.22425 -0.03128 0.31721 -0.23165 44 4XX 0.04661 -0.00583 0.01159 -0.00108 0.02567 45 4YY -0.00624 0.00279 -0.00271 -0.00368 -0.00625 46 4ZZ 0.01326 -0.00323 -0.01608 -0.01141 0.00243 47 4XY -0.00702 -0.00065 0.00090 -0.00411 -0.01351 48 4XZ -0.05396 0.01351 0.00450 0.01268 -0.01914 49 4YZ 0.00519 -0.00160 -0.00336 0.00208 0.00532 50 6 C 1S -0.00613 0.00890 -0.00495 0.02743 -0.00587 51 2S 0.21131 0.02576 0.10147 -0.03088 -0.11695 52 2PX -0.08968 0.06493 0.13454 0.06638 0.13949 53 2PY -0.06222 0.13912 -0.03155 0.02046 -0.11858 54 2PZ 0.18171 0.00080 0.14289 0.01701 0.22141 55 3S -0.32454 -0.11990 -0.37847 -0.71393 -0.27179 56 3PX -0.00302 0.01948 -0.11218 -0.07064 -0.11326 57 3PY 0.12371 -0.12322 0.08023 -0.22746 0.30749 58 3PZ -0.12439 0.05072 -0.33003 -0.35094 -0.36036 59 4XX 0.00116 -0.01287 0.00232 0.00334 -0.02529 60 4YY 0.02603 0.01658 0.01264 -0.00230 -0.02521 61 4ZZ -0.00249 -0.00427 -0.01012 0.00789 0.01369 62 4XY 0.02577 -0.00418 -0.01141 -0.00144 0.02194 63 4XZ 0.00366 -0.01552 0.00729 -0.00389 0.05575 64 4YZ -0.00076 0.00579 -0.01774 0.00363 -0.00717 65 7 H 1S -0.05489 0.08207 -0.12663 0.09052 -0.17628 66 2S 0.16105 0.03890 -0.03380 -0.05012 0.10961 67 8 C 1S -0.00613 0.00890 -0.00495 -0.02743 -0.00587 68 2S 0.21129 0.02576 0.10147 0.03088 -0.11694 69 2PX -0.08972 0.06491 0.13454 -0.06639 0.13949 70 2PY 0.06223 -0.13912 0.03157 0.02047 0.11856 71 2PZ 0.18170 0.00080 0.14290 -0.01701 0.22141 72 3S -0.32442 -0.11988 -0.37844 0.71393 -0.27184 73 3PX -0.00300 0.01949 -0.11221 0.07064 -0.11323 74 3PY -0.12365 0.12322 -0.08020 -0.22748 -0.30748 75 3PZ -0.12432 0.05073 -0.33000 0.35094 -0.36042 76 4XX 0.00115 -0.01287 0.00232 -0.00334 -0.02529 77 4YY 0.02603 0.01658 0.01265 0.00230 -0.02521 78 4ZZ -0.00250 -0.00427 -0.01013 -0.00789 0.01369 79 4XY -0.02577 0.00419 0.01141 -0.00144 -0.02193 80 4XZ 0.00367 -0.01552 0.00729 0.00389 0.05575 81 4YZ 0.00076 -0.00579 0.01774 0.00363 0.00717 82 9 H 1S -0.05490 0.08207 -0.12662 -0.09052 -0.17629 83 2S 0.16105 0.03891 -0.03379 0.05012 0.10959 84 10 C 1S 0.01710 -0.01238 0.00732 0.00302 0.00398 85 2S 0.12946 0.10142 -0.03683 0.04147 0.01106 86 2PX 0.03358 0.00496 -0.18108 0.13041 -0.08017 87 2PY 0.03231 -0.08961 -0.10781 0.10890 0.07228 88 2PZ 0.02854 0.11378 0.02272 0.32965 0.06522 89 3S 0.04461 -0.34987 -0.11561 0.07166 0.36439 90 3PX -0.03671 0.14939 0.40465 -0.42658 0.29128 91 3PY 0.00910 -0.09802 -0.27554 0.44788 -0.01426 92 3PZ -0.01286 -0.22425 -0.03127 -0.31720 -0.23166 93 4XX 0.04660 -0.00583 0.01159 0.00108 0.02567 94 4YY -0.00624 0.00279 -0.00272 0.00368 -0.00625 95 4ZZ 0.01326 -0.00323 -0.01608 0.01141 0.00243 96 4XY 0.00702 0.00065 -0.00090 -0.00411 0.01351 97 4XZ -0.05397 0.01351 0.00450 -0.01268 -0.01914 98 4YZ -0.00518 0.00160 0.00335 0.00208 -0.00532 99 11 O 1S -0.00183 -0.00565 -0.01638 -0.01346 0.00337 100 2S 0.03130 -0.01733 0.02927 0.02113 0.02652 101 2PX 0.00163 -0.01152 -0.06053 -0.04760 -0.06663 102 2PY -0.02866 -0.00897 0.02622 0.02032 -0.01177 103 2PZ 0.01378 0.02836 -0.01805 -0.05792 0.02695 104 3S -0.02789 0.19399 0.28709 0.34118 -0.12218 105 3PX -0.00905 -0.01361 0.00888 -0.01377 -0.03780 106 3PY 0.01415 0.09234 0.16834 0.15738 -0.05732 107 3PZ -0.00188 0.03027 0.02863 0.00702 0.03283 108 4XX 0.00222 -0.00568 -0.00173 -0.00667 -0.00317 109 4YY 0.01816 -0.00845 -0.00248 0.00271 0.01842 110 4ZZ 0.00393 -0.01124 -0.00570 0.00079 0.01655 111 4XY 0.00486 0.00079 -0.01162 -0.00783 0.00267 112 4XZ -0.00635 0.00004 0.00212 -0.00584 -0.00166 113 4YZ 0.00363 0.00623 0.00186 -0.01988 0.00236 114 12 O 1S -0.00183 -0.00565 -0.01638 0.01346 0.00337 115 2S 0.03131 -0.01733 0.02927 -0.02112 0.02651 116 2PX 0.00163 -0.01152 -0.06053 0.04761 -0.06664 117 2PY 0.02865 0.00897 -0.02622 0.02032 0.01177 118 2PZ 0.01378 0.02836 -0.01804 0.05792 0.02695 119 3S -0.02796 0.19397 0.28710 -0.34119 -0.12217 120 3PX -0.00904 -0.01362 0.00888 0.01378 -0.03780 121 3PY -0.01413 -0.09233 -0.16834 0.15738 0.05732 122 3PZ -0.00189 0.03027 0.02863 -0.00702 0.03283 123 4XX 0.00223 -0.00568 -0.00173 0.00667 -0.00317 124 4YY 0.01816 -0.00845 -0.00247 -0.00271 0.01841 125 4ZZ 0.00393 -0.01124 -0.00570 -0.00079 0.01655 126 4XY -0.00486 -0.00079 0.01162 -0.00783 -0.00267 127 4XZ -0.00635 0.00004 0.00212 0.00584 -0.00166 128 4YZ -0.00363 -0.00623 -0.00187 -0.01988 -0.00236 129 13 C 1S 0.02914 0.01519 0.03250 -0.04737 -0.02595 130 2S 0.03427 -0.01775 -0.12901 0.16028 -0.09137 131 2PX 0.06961 -0.11406 0.21552 0.30671 -0.00177 132 2PY -0.16984 -0.01790 -0.04457 0.04796 -0.00525 133 2PZ 0.03340 -0.01622 0.19138 -0.15001 0.07801 134 3S -0.20755 -0.39344 0.25250 0.78174 0.48810 135 3PX -0.30354 -0.23325 -0.60229 0.11293 0.06183 136 3PY 0.09828 -0.30705 -0.17169 0.49465 0.35793 137 3PZ -0.04231 -0.03485 -0.37166 -0.28320 -0.22675 138 4XX -0.00767 -0.01575 0.00434 0.01391 -0.01813 139 4YY 0.06472 0.00273 -0.00262 -0.00574 -0.01748 140 4ZZ -0.02506 0.00982 0.00965 -0.01246 0.00135 141 4XY 0.02863 0.04566 0.00457 -0.00491 -0.01174 142 4XZ -0.02343 -0.00042 -0.04510 0.01813 0.02226 143 4YZ -0.01519 -0.01894 0.05151 -0.00077 -0.01357 144 14 C 1S -0.00923 -0.01322 -0.02651 0.08125 0.01225 145 2S 0.14178 -0.14230 -0.00112 -0.10004 -0.04300 146 2PX 0.03447 -0.35595 -0.17119 0.07542 -0.10676 147 2PY -0.20636 -0.22910 -0.12293 -0.18683 0.13942 148 2PZ 0.19967 -0.30812 0.09085 -0.06068 -0.27205 149 3S -0.08599 0.28960 0.16797 -1.26332 -0.12627 150 3PX -0.11751 0.18702 0.09855 0.80343 0.30625 151 3PY 0.24781 0.31396 0.16883 -0.36706 -0.25352 152 3PZ -0.05733 0.39194 0.12640 -0.61161 0.15702 153 4XX 0.00838 0.00617 -0.02343 0.00145 0.00335 154 4YY -0.00527 -0.05102 -0.00461 0.04183 0.01139 155 4ZZ 0.02242 0.00498 -0.00119 -0.00584 -0.01744 156 4XY -0.02591 -0.03963 0.03268 0.00091 -0.02382 157 4XZ -0.01672 0.00790 0.02780 -0.05673 0.00459 158 4YZ 0.04521 0.01410 -0.01935 -0.00053 -0.01439 159 15 C 1S -0.00923 -0.01322 -0.02651 -0.08125 0.01225 160 2S 0.14175 -0.14230 -0.00112 0.10004 -0.04300 161 2PX 0.03448 -0.35594 -0.17121 -0.07540 -0.10675 162 2PY 0.20633 0.22909 0.12294 -0.18683 -0.13944 163 2PZ 0.19963 -0.30812 0.09085 0.06069 -0.27205 164 3S -0.08603 0.28965 0.16797 1.26333 -0.12621 165 3PX -0.11748 0.18699 0.09855 -0.80345 0.30621 166 3PY -0.24778 -0.31397 -0.16882 -0.36705 0.25349 167 3PZ -0.05734 0.39196 0.12641 0.61160 0.15705 168 4XX 0.00838 0.00617 -0.02343 -0.00145 0.00335 169 4YY -0.00527 -0.05103 -0.00461 -0.04183 0.01139 170 4ZZ 0.02242 0.00498 -0.00119 0.00584 -0.01744 171 4XY 0.02591 0.03963 -0.03268 0.00091 0.02382 172 4XZ -0.01672 0.00790 0.02780 0.05673 0.00459 173 4YZ -0.04521 -0.01410 0.01935 -0.00053 0.01439 174 16 C 1S 0.02913 0.01519 0.03250 0.04737 -0.02595 175 2S 0.03427 -0.01776 -0.12901 -0.16028 -0.09139 176 2PX 0.06957 -0.11407 0.21550 -0.30671 -0.00177 177 2PY 0.16983 0.01790 0.04457 0.04797 0.00525 178 2PZ 0.03336 -0.01622 0.19136 0.15001 0.07804 179 3S -0.20755 -0.39348 0.25249 -0.78176 0.48808 180 3PX -0.30342 -0.23325 -0.60228 -0.11294 0.06181 181 3PY -0.09827 0.30708 0.17168 0.49466 -0.35788 182 3PZ -0.04227 -0.03483 -0.37163 0.28322 -0.22678 183 4XX -0.00767 -0.01575 0.00434 -0.01391 -0.01813 184 4YY 0.06471 0.00273 -0.00262 0.00574 -0.01748 185 4ZZ -0.02506 0.00982 0.00966 0.01245 0.00135 186 4XY -0.02863 -0.04566 -0.00457 -0.00490 0.01174 187 4XZ -0.02342 -0.00042 -0.04510 -0.01813 0.02226 188 4YZ 0.01520 0.01894 -0.05151 -0.00077 0.01356 189 17 H 1S 0.32294 0.14165 -0.06478 -0.08795 -0.03435 190 2S -0.16180 -0.20883 -0.12786 0.26077 0.15878 191 18 H 1S 0.18856 0.06748 -0.22943 0.23867 0.03363 192 2S -0.03555 -0.00494 0.23504 -0.59805 -0.15167 193 19 H 1S 0.18856 0.06747 -0.22943 -0.23866 0.03362 194 2S -0.03558 -0.00492 0.23505 0.59805 -0.15164 195 20 H 1S 0.32289 0.14165 -0.06478 0.08796 -0.03436 196 2S -0.16179 -0.20885 -0.12786 -0.26077 0.15876 197 21 C 1S -0.01049 0.00779 -0.02260 0.00000 0.00223 198 2S 0.16702 -0.04528 0.16700 0.00000 -0.01078 199 2PX -0.13133 -0.15319 0.12072 0.00000 -0.02321 200 2PY -0.00006 0.00000 -0.00001 0.29791 0.00000 201 2PZ -0.16883 0.11572 -0.57275 0.00000 0.23366 202 3S -0.36995 0.18366 0.06623 0.00000 -0.23583 203 3PX 0.44256 0.74034 0.14754 0.00000 -0.30472 204 3PY 0.00007 0.00000 0.00000 -0.28568 0.00000 205 3PZ -0.05421 -0.42583 0.82382 -0.00001 -0.01862 206 4XX 0.03243 0.06741 -0.01380 0.00000 -0.00041 207 4YY -0.03725 -0.02013 0.03757 0.00000 0.00159 208 4ZZ 0.01800 -0.03563 -0.02434 0.00000 -0.01109 209 4XY 0.00000 0.00000 0.00000 -0.00155 0.00000 210 4XZ -0.01579 -0.04763 -0.02083 0.00000 -0.00289 211 4YZ 0.00000 0.00000 0.00000 -0.00064 0.00000 212 22 H 1S 0.13350 0.31961 -0.13604 0.00000 0.02521 213 2S 0.27500 0.29705 0.07744 0.00001 -0.32381 214 23 H 1S 0.10089 -0.12796 -0.14434 0.00000 -0.01464 215 2S 0.05050 0.03037 -0.08023 0.00000 0.13844 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 0.01281 -0.00842 -0.00429 0.00343 0.01588 2 2S 0.12011 -0.00684 0.09546 0.02632 -0.11315 3 2PX -0.04256 -0.17663 0.29647 -0.12679 0.02598 4 2PY -0.02447 -0.06254 0.00419 0.04641 -0.07017 5 2PZ 0.03763 -0.21087 0.21501 -0.23765 0.30388 6 3S -0.06028 -0.04912 -0.11969 -0.02198 -0.41243 7 3PX 0.07957 0.18170 -0.43967 0.26397 0.08954 8 3PY 0.05400 0.07151 0.03318 0.14606 1.07468 9 3PZ -0.09443 0.28837 -0.28108 0.27358 -0.63769 10 4XX 0.02253 -0.00938 0.00638 -0.00679 0.02393 11 4YY 0.01496 -0.01744 0.01415 0.01159 -0.03364 12 4ZZ 0.00491 0.01011 -0.01323 0.00789 -0.00595 13 4XY -0.00318 -0.00618 -0.00900 -0.00050 -0.01496 14 4XZ -0.04143 0.00635 0.01586 -0.00758 -0.02319 15 4YZ 0.00247 -0.00383 -0.02251 -0.00721 0.01780 16 2 H 1S 0.16972 -0.03585 -0.06593 0.02848 0.04565 17 2S -0.00766 -0.01083 -0.01539 -0.00133 -0.24847 18 3 C 1S 0.01281 0.00842 -0.00429 -0.00343 -0.01588 19 2S 0.12011 0.00685 0.09546 -0.02632 0.11316 20 2PX -0.04258 0.17662 0.29650 0.12679 -0.02597 21 2PY 0.02449 -0.06254 -0.00420 0.04641 -0.07017 22 2PZ 0.03761 0.21090 0.21504 0.23765 -0.30387 23 3S -0.06028 0.04912 -0.11970 0.02198 0.41241 24 3PX 0.07959 -0.18168 -0.43970 -0.26396 -0.08954 25 3PY -0.05402 0.07149 -0.03318 0.14607 1.07467 26 3PZ -0.09442 -0.28840 -0.28113 -0.27357 0.63767 27 4XX 0.02253 0.00939 0.00639 0.00679 -0.02393 28 4YY 0.01496 0.01745 0.01415 -0.01159 0.03364 29 4ZZ 0.00491 -0.01011 -0.01323 -0.00789 0.00595 30 4XY 0.00318 -0.00618 0.00900 -0.00050 -0.01496 31 4XZ -0.04143 -0.00635 0.01586 0.00758 0.02319 32 4YZ -0.00247 -0.00382 0.02251 -0.00721 0.01780 33 4 H 1S 0.16971 0.03588 -0.06593 -0.02849 -0.04563 34 2S -0.00766 0.01083 -0.01539 0.00133 0.24846 35 5 C 1S -0.00097 -0.00410 0.00631 0.00444 -0.02102 36 2S -0.03257 0.11989 0.02357 -0.03200 0.26660 37 2PX -0.19811 0.11277 -0.19651 0.09860 -0.05344 38 2PY 0.06512 -0.01927 0.00777 0.04719 -0.54566 39 2PZ 0.08962 0.16670 -0.34205 0.07784 -0.04939 40 3S -0.25725 -0.33758 0.21967 -0.15469 0.64213 41 3PX 0.31793 -0.16349 0.46441 -0.42626 -0.29147 42 3PY 0.15896 -0.09171 0.16252 -0.04620 0.21600 43 3PZ -0.10168 -0.17220 0.57530 0.11714 0.17292 44 4XX -0.00991 0.01457 0.02818 -0.01854 0.06098 45 4YY -0.00479 -0.01551 -0.01665 0.01590 -0.07468 46 4ZZ -0.00645 0.00533 0.00788 -0.00012 0.03908 47 4XY -0.00854 -0.00269 0.00933 0.00483 -0.01429 48 4XZ 0.01205 -0.00503 -0.02082 0.00250 -0.04474 49 4YZ -0.00337 0.01704 0.00510 -0.00308 -0.00959 50 6 C 1S -0.00130 0.00822 0.00032 -0.00345 -0.01966 51 2S -0.11245 -0.13458 0.02836 0.02141 0.08066 52 2PX 0.03130 0.13402 -0.06095 -0.11217 -0.10445 53 2PY 0.09014 -0.17173 -0.11144 0.04527 -0.12129 54 2PZ -0.05443 0.13206 0.16643 -0.15071 0.12006 55 3S 0.17423 0.53901 -0.34166 -0.02605 0.41989 56 3PX -0.02557 -0.24068 0.03694 0.08772 0.10387 57 3PY -0.24203 0.34976 0.28491 -0.55151 0.50506 58 3PZ -0.09858 0.24806 -0.38256 0.35996 -0.01456 59 4XX 0.01489 -0.04098 -0.00203 0.02888 -0.01468 60 4YY 0.00355 0.02841 -0.01249 -0.01448 0.03113 61 4ZZ -0.02603 0.00345 0.01885 -0.00558 -0.00865 62 4XY -0.01995 0.00621 0.00675 -0.00110 0.02105 63 4XZ 0.03279 -0.00982 0.01784 -0.00539 0.02669 64 4YZ -0.02346 0.00162 -0.02113 -0.00147 -0.00884 65 7 H 1S -0.16756 0.12344 -0.06542 -0.03709 -0.03798 66 2S -0.14823 0.24664 0.08773 -0.13018 0.20615 67 8 C 1S -0.00130 -0.00823 0.00032 0.00345 0.01966 68 2S -0.11247 0.13457 0.02836 -0.02140 -0.08066 69 2PX 0.03132 -0.13402 -0.06096 0.11217 0.10444 70 2PY -0.09010 -0.17175 0.11143 0.04527 -0.12130 71 2PZ -0.05441 -0.13208 0.16644 0.15071 -0.12006 72 3S 0.17429 -0.53898 -0.34171 0.02605 -0.41992 73 3PX -0.02562 0.24069 0.03693 -0.08773 -0.10385 74 3PY 0.24198 0.34981 -0.28487 -0.55150 0.50508 75 3PZ -0.09853 -0.24805 -0.38259 -0.35994 0.01454 76 4XX 0.01488 0.04098 -0.00203 -0.02888 0.01468 77 4YY 0.00356 -0.02840 -0.01249 0.01448 -0.03113 78 4ZZ -0.02603 -0.00346 0.01885 0.00558 0.00865 79 4XY 0.01995 0.00621 -0.00675 -0.00110 0.02105 80 4XZ 0.03279 0.00983 0.01784 0.00539 -0.02669 81 4YZ 0.02346 0.00163 0.02113 -0.00147 -0.00884 82 9 H 1S -0.16754 -0.12346 -0.06543 0.03710 0.03798 83 2S -0.14819 -0.24667 0.08772 0.13019 -0.20616 84 10 C 1S -0.00098 0.00410 0.00631 -0.00444 0.02102 85 2S -0.03254 -0.11989 0.02357 0.03200 -0.26658 86 2PX -0.19811 -0.11280 -0.19652 -0.09858 0.05340 87 2PY -0.06511 -0.01928 -0.00776 0.04719 -0.54563 88 2PZ 0.08964 -0.16667 -0.34206 -0.07784 0.04939 89 3S -0.25732 0.33751 0.21969 0.15469 -0.64211 90 3PX 0.31791 0.16353 0.46440 0.42622 0.29152 91 3PY -0.15897 -0.09175 -0.16254 -0.04621 0.21592 92 3PZ -0.10169 0.17217 0.57532 -0.11714 -0.17291 93 4XX -0.00991 -0.01457 0.02818 0.01854 -0.06098 94 4YY -0.00479 0.01551 -0.01665 -0.01590 0.07467 95 4ZZ -0.00645 -0.00534 0.00788 0.00012 -0.03908 96 4XY 0.00854 -0.00269 -0.00933 0.00483 -0.01428 97 4XZ 0.01205 0.00503 -0.02082 -0.00250 0.04474 98 4YZ 0.00336 0.01704 -0.00510 -0.00308 -0.00959 99 11 O 1S -0.00888 -0.00057 -0.00434 -0.00130 0.02785 100 2S -0.01853 0.02284 0.02976 -0.01088 -0.03432 101 2PX -0.10529 0.06606 -0.00999 0.03826 -0.02034 102 2PY 0.01136 -0.03535 -0.01864 0.02879 -0.19935 103 2PZ 0.02130 0.06635 -0.07807 0.00970 -0.02254 104 3S 0.24831 -0.01389 0.08435 0.01266 -0.21278 105 3PX 0.01291 -0.01666 -0.04287 0.04119 0.01399 106 3PY 0.11556 0.03387 0.05895 0.00241 -0.24822 107 3PZ 0.02517 -0.01417 -0.04341 -0.02831 -0.02850 108 4XX -0.00755 0.00413 0.00381 0.01080 -0.02859 109 4YY -0.01139 0.02027 0.02396 -0.02143 0.10427 110 4ZZ -0.01395 0.00101 -0.00456 -0.00812 -0.00993 111 4XY -0.00531 0.00549 -0.01548 0.00204 0.01543 112 4XZ 0.00012 0.00135 -0.00103 0.00233 0.00145 113 4YZ 0.00274 0.00755 -0.01873 0.00357 0.00853 114 12 O 1S -0.00888 0.00057 -0.00434 0.00130 -0.02785 115 2S -0.01852 -0.02284 0.02975 0.01088 0.03432 116 2PX -0.10529 -0.06608 -0.01000 -0.03825 0.02033 117 2PY -0.01135 -0.03534 0.01864 0.02879 -0.19933 118 2PZ 0.02131 -0.06634 -0.07807 -0.00970 0.02254 119 3S 0.24832 0.01395 0.08436 -0.01266 0.21281 120 3PX 0.01291 0.01666 -0.04287 -0.04118 -0.01400 121 3PY -0.11557 0.03384 -0.05895 0.00241 -0.24822 122 3PZ 0.02517 0.01417 -0.04341 0.02831 0.02850 123 4XX -0.00755 -0.00413 0.00380 -0.01080 0.02859 124 4YY -0.01139 -0.02027 0.02396 0.02143 -0.10426 125 4ZZ -0.01395 -0.00101 -0.00456 0.00812 0.00992 126 4XY 0.00531 0.00549 0.01548 0.00204 0.01543 127 4XZ 0.00012 -0.00135 -0.00103 -0.00233 -0.00145 128 4YZ -0.00275 0.00755 0.01873 0.00357 0.00853 129 13 C 1S -0.01350 -0.00362 -0.02186 -0.00450 0.00362 130 2S 0.11260 0.04211 0.00663 0.14883 0.00255 131 2PX 0.12255 -0.06602 0.20852 0.03861 -0.07403 132 2PY 0.23567 -0.06585 -0.00574 0.09632 -0.00692 133 2PZ 0.14892 -0.41243 -0.15934 -0.01364 -0.10246 134 3S -0.89124 0.48958 -0.03087 -0.64915 0.14698 135 3PX -0.23722 0.12142 -0.37099 0.11910 0.16035 136 3PY -0.96787 0.57284 -0.05901 -0.33619 0.22312 137 3PZ -0.16660 0.50462 0.12420 0.24299 0.23337 138 4XX 0.02968 -0.00064 -0.01303 0.02558 0.00140 139 4YY -0.04431 0.00259 -0.00582 -0.00738 0.01317 140 4ZZ -0.00753 0.01145 -0.00756 -0.00724 -0.00422 141 4XY 0.04007 -0.01132 0.00137 0.01142 -0.00735 142 4XZ 0.05183 -0.02681 0.04075 0.02409 -0.00587 143 4YZ -0.00530 -0.03151 0.01360 0.01080 -0.00396 144 14 C 1S 0.00808 0.04582 0.02669 0.02257 0.00563 145 2S -0.04509 0.01169 -0.00734 -0.06213 0.01163 146 2PX 0.30932 -0.22158 0.07148 0.43454 0.12741 147 2PY -0.07804 -0.28803 0.18230 -0.18097 -0.03846 148 2PZ 0.18047 -0.03096 -0.25003 0.42441 0.20699 149 3S 0.18971 -0.65707 0.14869 0.40489 -0.24843 150 3PX -0.49210 0.57196 -0.10020 -0.92242 -0.14107 151 3PY 0.28094 -0.19846 -0.21568 0.33047 -0.17178 152 3PZ -0.06862 -0.26168 0.30157 -0.59736 -0.44785 153 4XX -0.01284 0.01562 0.01511 -0.01318 0.00163 154 4YY -0.02591 0.05292 0.01705 0.03670 0.00494 155 4ZZ 0.05583 -0.03261 0.00067 0.00829 -0.00179 156 4XY 0.01240 0.00068 0.00625 -0.00868 -0.00268 157 4XZ -0.03952 -0.02299 -0.04245 -0.02971 0.00268 158 4YZ 0.03057 0.00057 -0.01014 0.00082 -0.00152 159 15 C 1S 0.00808 -0.04582 0.02669 -0.02257 -0.00563 160 2S -0.04508 -0.01170 -0.00733 0.06214 -0.01163 161 2PX 0.30928 0.22162 0.07149 -0.43455 -0.12741 162 2PY 0.07807 -0.28799 -0.18231 -0.18097 -0.03846 163 2PZ 0.18046 0.03102 -0.25002 -0.42442 -0.20699 164 3S 0.18959 0.65711 0.14867 -0.40491 0.24843 165 3PX -0.49201 -0.57205 -0.10021 0.92244 0.14107 166 3PY -0.28089 -0.19853 0.21567 0.33047 -0.17179 167 3PZ -0.06865 0.26165 0.30157 0.59736 0.44784 168 4XX -0.01284 -0.01563 0.01510 0.01318 -0.00163 169 4YY -0.02590 -0.05292 0.01705 -0.03670 -0.00494 170 4ZZ 0.05583 0.03262 0.00067 -0.00830 0.00179 171 4XY -0.01240 0.00067 -0.00625 -0.00867 -0.00268 172 4XZ -0.03952 0.02299 -0.04245 0.02971 -0.00268 173 4YZ -0.03057 0.00057 0.01014 0.00082 -0.00152 174 16 C 1S -0.01350 0.00362 -0.02186 0.00450 -0.00362 175 2S 0.11260 -0.04210 0.00662 -0.14883 -0.00255 176 2PX 0.12252 0.06602 0.20852 -0.03861 0.07403 177 2PY -0.23566 -0.06588 0.00574 0.09633 -0.00693 178 2PZ 0.14886 0.41245 -0.15932 0.01363 0.10246 179 3S -0.89117 -0.48973 -0.03087 0.64917 -0.14699 180 3PX -0.23719 -0.12145 -0.37098 -0.11909 -0.16035 181 3PY 0.96776 0.57301 0.05901 -0.33622 0.22314 182 3PZ -0.16654 -0.50464 0.12416 -0.24298 -0.23337 183 4XX 0.02968 0.00065 -0.01303 -0.02558 -0.00140 184 4YY -0.04431 -0.00260 -0.00582 0.00738 -0.01318 185 4ZZ -0.00753 -0.01145 -0.00756 0.00724 0.00422 186 4XY -0.04007 -0.01132 -0.00137 0.01142 -0.00735 187 4XZ 0.05182 0.02681 0.04075 -0.02410 0.00587 188 4YZ 0.00530 -0.03152 -0.01360 0.01080 -0.00396 189 17 H 1S -0.07045 0.08757 -0.07924 -0.06264 0.08929 190 2S -0.28082 0.22865 -0.09080 -0.01586 0.09099 191 18 H 1S 0.10866 0.19331 0.15201 0.12336 0.01452 192 2S 0.06212 -0.31828 -0.01938 0.04453 -0.11938 193 19 H 1S 0.10868 -0.19332 0.15200 -0.12336 -0.01452 194 2S 0.06208 0.31832 -0.01937 -0.04453 0.11938 195 20 H 1S -0.07043 -0.08759 -0.07925 0.06265 -0.08929 196 2S -0.28078 -0.22871 -0.09080 0.01587 -0.09100 197 21 C 1S 0.02489 0.00000 -0.00156 0.00000 0.00000 198 2S -0.37103 -0.00002 -0.07372 0.00000 -0.00001 199 2PX -0.28340 -0.00001 0.01400 0.00000 0.00001 200 2PY 0.00000 0.02306 0.00000 0.25274 -0.06884 201 2PZ 0.28980 0.00000 0.04210 0.00000 0.00000 202 3S 1.31490 0.00011 -0.09615 -0.00002 0.00002 203 3PX 0.98063 0.00008 0.20175 -0.00001 0.00000 204 3PY -0.00002 0.28667 0.00001 -0.41695 0.24205 205 3PZ -1.11272 -0.00007 -0.09903 0.00001 -0.00001 206 4XX 0.02822 0.00000 0.03860 0.00000 0.00000 207 4YY -0.00224 0.00000 -0.03163 0.00000 0.00000 208 4ZZ -0.03735 0.00000 -0.02824 0.00000 0.00000 209 4XY 0.00000 0.02999 0.00000 -0.01804 0.01201 210 4XZ -0.04644 0.00000 -0.02731 0.00000 0.00000 211 4YZ 0.00000 -0.04702 0.00000 0.00970 -0.00560 212 22 H 1S 0.28757 0.00002 0.10339 0.00000 0.00000 213 2S 0.28670 0.00003 0.07127 -0.00001 0.00000 214 23 H 1S -0.01364 0.00000 -0.08862 0.00000 0.00000 215 2S 0.20540 0.00001 0.04559 0.00000 0.00001 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 -0.01812 -0.04078 0.00023 -0.00142 0.00072 2 2S -0.21138 -0.06596 0.10289 -0.06198 -0.20955 3 2PX -0.13408 -0.09361 -0.03689 -0.39979 -0.16058 4 2PY 0.02558 -0.37046 0.04461 -0.15088 -0.11017 5 2PZ -0.01707 0.18782 -0.07239 -0.33026 -0.10635 6 3S 0.44026 0.60827 -0.13307 0.20151 -0.20312 7 3PX 0.25313 -0.11225 0.13995 0.78371 -0.10705 8 3PY -0.04478 -0.56614 -0.16367 0.07095 0.20100 9 3PZ -0.08155 -0.16164 0.07715 0.78816 0.38776 10 4XX -0.01572 -0.00994 0.00946 0.00225 -0.06537 11 4YY -0.03645 -0.07610 -0.00166 -0.03623 -0.00261 12 4ZZ 0.00371 0.01769 0.01570 0.01702 0.02149 13 4XY 0.03210 -0.00142 0.00558 -0.00840 -0.01199 14 4XZ 0.02620 0.03988 -0.02546 -0.01334 0.04001 15 4YZ -0.01340 -0.00184 0.00067 0.00176 0.02813 16 2 H 1S -0.25314 -0.23694 0.02278 -0.03698 -0.06533 17 2S 0.15023 0.15548 0.07064 -0.06256 -0.18982 18 3 C 1S -0.01812 0.04078 0.00023 0.00142 0.00072 19 2S -0.21137 0.06597 0.10291 0.06196 -0.20955 20 2PX -0.13407 0.09360 -0.03684 0.39979 -0.16059 21 2PY -0.02559 -0.37047 -0.04462 -0.15088 0.11018 22 2PZ -0.01709 -0.18783 -0.07233 0.33026 -0.10636 23 3S 0.44027 -0.60829 -0.13304 -0.20149 -0.20318 24 3PX 0.25312 0.11224 0.13983 -0.78372 -0.10706 25 3PY 0.04483 -0.56613 0.16374 0.07095 -0.20105 26 3PZ -0.08152 0.16165 0.07702 -0.78815 0.38779 27 4XX -0.01572 0.00994 0.00946 -0.00225 -0.06537 28 4YY -0.03644 0.07610 -0.00166 0.03623 -0.00261 29 4ZZ 0.00371 -0.01769 0.01570 -0.01702 0.02149 30 4XY -0.03211 -0.00141 -0.00558 -0.00839 0.01199 31 4XZ 0.02620 -0.03988 -0.02546 0.01335 0.04001 32 4YZ 0.01340 -0.00184 -0.00067 0.00176 -0.02814 33 4 H 1S -0.25314 0.23695 0.02278 0.03698 -0.06534 34 2S 0.15024 -0.15548 0.07067 0.06254 -0.18983 35 5 C 1S 0.04380 -0.00504 0.02375 -0.01188 -0.02794 36 2S -0.20132 0.01689 -0.14648 0.03953 -0.05347 37 2PX 0.12848 0.02243 0.04769 -0.17450 0.18683 38 2PY 0.54462 -0.00789 0.26535 -0.27091 -0.25974 39 2PZ -0.10507 0.24108 0.17049 -0.22706 -0.08598 40 3S -0.42363 -0.17129 -0.14454 0.57228 0.06883 41 3PX -0.23871 0.64441 -0.25696 0.74078 -0.62892 42 3PY -0.82321 0.45531 -0.40546 0.54322 1.11996 43 3PZ 0.16481 -0.70175 -0.20101 0.34882 0.32997 44 4XX -0.03156 -0.00771 -0.01648 0.03152 0.01969 45 4YY 0.08232 -0.02126 0.03771 -0.04568 -0.06941 46 4ZZ -0.03689 0.01604 -0.02148 0.01380 -0.00971 47 4XY 0.02117 -0.03081 -0.00728 0.00316 -0.00359 48 4XZ 0.00955 -0.00845 0.00084 -0.01194 0.03461 49 4YZ 0.00368 0.01241 0.00721 0.00668 -0.02697 50 6 C 1S -0.00047 -0.01626 -0.01663 -0.00309 0.01160 51 2S 0.01492 -0.00806 -0.08097 0.10702 -0.00542 52 2PX 0.02910 0.27506 0.05325 -0.15735 0.03905 53 2PY -0.07561 0.32308 0.02051 0.15416 0.11756 54 2PZ 0.00347 -0.00709 0.00679 -0.04187 0.23170 55 3S 0.24379 -0.70993 0.48738 -0.69517 0.32405 56 3PX -0.24420 -0.14885 -0.06487 0.36834 0.16933 57 3PY 0.17189 -0.26239 -0.13971 0.15927 -0.46690 58 3PZ 0.08101 -0.40217 0.15914 -0.42163 -0.38718 59 4XX 0.03495 0.00576 -0.00379 -0.00510 0.01613 60 4YY -0.02367 -0.04963 -0.01071 -0.01303 0.01547 61 4ZZ 0.00172 0.00705 -0.01152 0.01428 -0.01652 62 4XY 0.01047 -0.00251 0.00818 0.00171 -0.04572 63 4XZ -0.03742 0.04413 0.00927 0.01989 -0.04292 64 4YZ -0.02320 -0.00814 -0.01521 -0.00707 0.00243 65 7 H 1S -0.03169 -0.21088 -0.09561 0.00678 0.14482 66 2S 0.08981 -0.06251 0.02939 -0.00037 -0.45867 67 8 C 1S -0.00047 0.01626 -0.01663 0.00309 0.01160 68 2S 0.01492 0.00805 -0.08099 -0.10701 -0.00542 69 2PX 0.02910 -0.27505 0.05330 0.15733 0.03905 70 2PY 0.07561 0.32308 -0.02051 0.15416 -0.11756 71 2PZ 0.00345 0.00709 0.00680 0.04187 0.23168 72 3S 0.24379 0.70995 0.48743 0.69508 0.32411 73 3PX -0.24421 0.14884 -0.06497 -0.36831 0.16930 74 3PY -0.17185 -0.26238 0.13981 0.15925 0.46687 75 3PZ 0.08103 0.40218 0.15919 0.42161 -0.38712 76 4XX 0.03495 -0.00576 -0.00379 0.00510 0.01614 77 4YY -0.02367 0.04963 -0.01071 0.01304 0.01547 78 4ZZ 0.00172 -0.00705 -0.01152 -0.01428 -0.01652 79 4XY -0.01047 -0.00251 -0.00818 0.00171 0.04571 80 4XZ -0.03742 -0.04412 0.00927 -0.01990 -0.04292 81 4YZ 0.02320 -0.00814 0.01521 -0.00707 -0.00243 82 9 H 1S -0.03168 0.21088 -0.09562 -0.00676 0.14482 83 2S 0.08980 0.06250 0.02937 0.00036 -0.45865 84 10 C 1S 0.04380 0.00504 0.02375 0.01188 -0.02794 85 2S -0.20133 -0.01690 -0.14650 -0.03951 -0.05346 86 2PX 0.12847 -0.02243 0.04772 0.17449 0.18683 87 2PY -0.54466 -0.00788 -0.26541 -0.27086 0.25972 88 2PZ -0.10507 -0.24107 0.17054 0.22705 -0.08599 89 3S -0.42367 0.17129 -0.14468 -0.57223 0.06876 90 3PX -0.23868 -0.64442 -0.25706 -0.74074 -0.62895 91 3PY 0.82325 0.45534 0.40551 0.54316 -1.11988 92 3PZ 0.16481 0.70173 -0.20108 -0.34881 0.32998 93 4XX -0.03157 0.00770 -0.01649 -0.03152 0.01970 94 4YY 0.08232 0.02127 0.03772 0.04568 -0.06941 95 4ZZ -0.03690 -0.01604 -0.02148 -0.01380 -0.00971 96 4XY -0.02117 -0.03081 0.00729 0.00316 0.00359 97 4XZ 0.00955 0.00845 0.00084 0.01194 0.03461 98 4YZ -0.00368 0.01241 -0.00721 0.00669 0.02697 99 11 O 1S -0.02335 -0.00912 -0.01157 0.00684 -0.00471 100 2S 0.07816 0.02310 0.05629 -0.03543 -0.00096 101 2PX 0.05957 -0.14072 -0.00382 -0.07379 0.02606 102 2PY 0.24097 -0.04037 0.11346 -0.10527 -0.16737 103 2PZ -0.05838 0.13820 0.06764 -0.03212 -0.13151 104 3S -0.20218 0.30002 -0.15465 0.18794 0.54976 105 3PX 0.03708 -0.06658 0.03176 -0.07902 0.14174 106 3PY 0.11835 0.16370 0.06253 -0.02264 0.21211 107 3PZ 0.01345 0.07692 0.00300 -0.02367 0.06245 108 4XX 0.03141 -0.00402 0.02130 -0.00427 -0.00815 109 4YY -0.09844 0.01632 -0.04866 0.05105 0.06892 110 4ZZ 0.02932 0.00579 0.02590 -0.03900 -0.01573 111 4XY -0.01373 0.02033 0.00127 -0.00420 0.01736 112 4XZ -0.00270 -0.00533 0.00057 0.00691 0.00352 113 4YZ -0.01397 0.00593 -0.00051 -0.01021 0.00922 114 12 O 1S -0.02335 0.00912 -0.01157 -0.00684 -0.00471 115 2S 0.07816 -0.02310 0.05630 0.03542 -0.00096 116 2PX 0.05957 0.14072 -0.00381 0.07379 0.02606 117 2PY -0.24098 -0.04038 -0.11348 -0.10525 0.16737 118 2PZ -0.05838 -0.13820 0.06765 0.03211 -0.13151 119 3S -0.20218 -0.30002 -0.15464 -0.18792 0.54975 120 3PX 0.03708 0.06658 0.03177 0.07902 0.14174 121 3PY -0.11837 0.16370 -0.06256 -0.02262 -0.21212 122 3PZ 0.01345 -0.07692 0.00300 0.02367 0.06245 123 4XX 0.03141 0.00402 0.02130 0.00426 -0.00815 124 4YY -0.09845 -0.01632 -0.04866 -0.05104 0.06892 125 4ZZ 0.02932 -0.00579 0.02591 0.03900 -0.01573 126 4XY 0.01373 0.02033 -0.00128 -0.00421 -0.01736 127 4XZ -0.00270 0.00533 0.00057 -0.00691 0.00352 128 4YZ 0.01397 0.00592 0.00051 -0.01022 -0.00922 129 13 C 1S -0.00931 -0.01428 0.00973 -0.00995 0.00313 130 2S 0.12893 -0.10503 -0.21157 -0.02946 0.09010 131 2PX 0.05863 0.02462 0.04107 0.23063 0.15483 132 2PY 0.09200 0.00335 -0.17941 0.00801 0.20157 133 2PZ 0.21117 0.05724 -0.58634 0.04928 -0.12561 134 3S -0.28119 0.15209 0.05184 0.27842 -0.70526 135 3PX -0.20225 -0.00464 -0.35987 -0.23412 -0.73636 136 3PY -0.26941 0.09953 -0.04479 -0.01772 -0.78580 137 3PZ -0.40188 -0.22184 1.08584 -0.19382 0.12089 138 4XX 0.00338 0.00509 -0.02019 0.00908 -0.03119 139 4YY -0.00338 -0.03115 -0.02385 -0.01333 -0.02086 140 4ZZ 0.00787 -0.00267 0.00615 -0.00609 0.02940 141 4XY 0.00217 0.00580 -0.01180 0.00027 0.02206 142 4XZ -0.00100 0.01845 0.02600 0.01113 0.00057 143 4YZ -0.00607 -0.01137 0.03141 0.01465 0.03540 144 14 C 1S 0.00221 0.00056 0.00174 0.01226 0.00373 145 2S -0.02061 -0.00844 -0.07721 -0.06536 -0.04868 146 2PX -0.04076 0.04337 0.13936 -0.04958 0.06644 147 2PY -0.00046 -0.03892 0.00195 0.08725 -0.01942 148 2PZ -0.08017 0.01653 0.00965 -0.16435 -0.05137 149 3S 0.03822 -0.10170 0.52274 -0.11139 0.51883 150 3PX 0.05674 -0.03552 -0.51318 0.40286 -0.38151 151 3PY 0.04291 0.10461 -0.01897 -0.17036 0.13301 152 3PZ 0.14571 -0.03007 0.10087 0.12192 0.33555 153 4XX -0.00011 -0.01066 0.00204 0.00083 0.01412 154 4YY -0.00659 0.00643 -0.00831 -0.01365 -0.02037 155 4ZZ 0.00329 0.00387 0.00858 0.00639 0.01560 156 4XY -0.00585 -0.00115 0.04297 0.00741 0.04337 157 4XZ -0.00682 0.00001 -0.01177 -0.01139 -0.03197 158 4YZ 0.00126 0.00055 -0.00672 -0.00426 0.01458 159 15 C 1S 0.00221 -0.00056 0.00174 -0.01226 0.00373 160 2S -0.02061 0.00843 -0.07720 0.06537 -0.04867 161 2PX -0.04076 -0.04336 0.13937 0.04956 0.06646 162 2PY 0.00045 -0.03892 -0.00193 0.08725 0.01940 163 2PZ -0.08018 -0.01653 0.00968 0.16434 -0.05137 164 3S 0.03825 0.10174 0.52276 0.11132 0.51885 165 3PX 0.05672 0.03549 -0.51325 -0.40278 -0.38156 166 3PY -0.04292 0.10462 0.01894 -0.17036 -0.13300 167 3PZ 0.14574 0.03009 0.10086 -0.12192 0.33555 168 4XX -0.00011 0.01066 0.00204 -0.00083 0.01412 169 4YY -0.00659 -0.00643 -0.00831 0.01365 -0.02038 170 4ZZ 0.00329 -0.00387 0.00857 -0.00639 0.01560 171 4XY 0.00585 -0.00115 -0.04297 0.00742 -0.04337 172 4XZ -0.00682 -0.00001 -0.01177 0.01140 -0.03197 173 4YZ -0.00126 0.00055 0.00672 -0.00426 -0.01458 174 16 C 1S -0.00931 0.01428 0.00973 0.00995 0.00313 175 2S 0.12894 0.10502 -0.21157 0.02950 0.09010 176 2PX 0.05863 -0.02461 0.04104 -0.23063 0.15483 177 2PY -0.09200 0.00336 0.17941 0.00799 -0.20157 178 2PZ 0.21119 -0.05727 -0.58634 -0.04918 -0.12561 179 3S -0.28123 -0.15211 0.05179 -0.27844 -0.70528 180 3PX -0.20226 0.00460 -0.35985 0.23417 -0.73637 181 3PY 0.26943 0.09953 0.04480 -0.01773 0.78582 182 3PZ -0.40190 0.22190 1.08584 0.19365 0.12091 183 4XX 0.00339 -0.00509 -0.02019 -0.00908 -0.03119 184 4YY -0.00338 0.03115 -0.02384 0.01334 -0.02086 185 4ZZ 0.00787 0.00267 0.00615 0.00609 0.02939 186 4XY -0.00217 0.00580 0.01180 0.00027 -0.02206 187 4XZ -0.00100 -0.01844 0.02600 -0.01114 0.00057 188 4YZ 0.00606 -0.01137 -0.03140 0.01465 -0.03540 189 17 H 1S -0.00807 -0.06886 -0.11240 -0.10830 -0.02522 190 2S -0.06025 0.10961 -0.19170 -0.02593 -0.27361 191 18 H 1S 0.01689 0.01327 0.04534 -0.00788 0.04411 192 2S -0.00190 0.04213 0.19459 -0.15638 0.21059 193 19 H 1S 0.01688 -0.01326 0.04534 0.00787 0.04410 194 2S -0.00189 -0.04212 0.19462 0.15635 0.21061 195 20 H 1S -0.00807 0.06885 -0.11238 0.10832 -0.02523 196 2S -0.06026 -0.10962 -0.19170 0.02597 -0.27362 197 21 C 1S 0.00917 0.00000 -0.04495 0.00000 -0.02603 198 2S 0.02259 0.00000 0.23367 -0.00002 0.16803 199 2PX -0.30762 0.00000 -0.01653 0.00000 -0.42612 200 2PY 0.00000 0.24028 -0.00001 0.01159 0.00000 201 2PZ 0.09500 0.00000 -0.18835 0.00002 -0.06988 202 3S 0.37598 -0.00002 -0.84429 0.00007 0.46960 203 3PX 0.56114 0.00001 0.20657 -0.00002 1.06094 204 3PY 0.00001 -0.40507 0.00002 0.00896 -0.00001 205 3PZ -0.16039 0.00000 0.24414 -0.00001 -0.12428 206 4XX -0.01536 0.00000 0.05122 0.00000 -0.00164 207 4YY 0.03612 0.00000 -0.03414 0.00000 0.05673 208 4ZZ 0.01553 0.00000 -0.04047 0.00000 -0.03230 209 4XY 0.00000 -0.00735 0.00000 0.00266 0.00000 210 4XZ -0.01521 0.00000 0.00874 0.00000 -0.06579 211 4YZ 0.00000 -0.01391 0.00000 -0.00038 0.00000 212 22 H 1S -0.03702 0.00000 -0.01248 0.00000 -0.07742 213 2S 0.18550 0.00000 0.07789 -0.00002 0.26144 214 23 H 1S 0.02599 -0.00001 -0.24725 0.00002 -0.27884 215 2S -0.01838 0.00000 -0.15466 0.00001 0.00420 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 -0.00339 0.00809 -0.01632 0.00968 0.00236 2 2S -0.02638 0.16271 -0.04353 -0.21296 0.09990 3 2PX -0.11058 -0.01816 -0.10203 0.19165 -0.07226 4 2PY 0.11198 0.22013 -0.26946 -0.24700 0.31374 5 2PZ -0.03746 -0.03578 0.01105 -0.07113 0.00820 6 3S -0.21087 1.03442 -1.06209 1.02278 1.03952 7 3PX 0.20714 0.41188 0.00254 -0.33143 0.57062 8 3PY -0.34356 -1.22565 1.21677 0.85589 -1.51089 9 3PZ 0.03327 -0.28122 0.15778 0.21216 -0.19617 10 4XX -0.00007 0.01951 -0.00853 -0.02256 -0.00754 11 4YY -0.01961 0.05567 -0.05396 0.00891 0.06498 12 4ZZ 0.01558 0.00604 0.01455 -0.01405 -0.00526 13 4XY -0.02036 -0.00399 0.00798 -0.01217 -0.00562 14 4XZ -0.00754 -0.04199 0.02628 0.00522 -0.01275 15 4YZ 0.01704 0.00169 -0.00648 -0.01825 0.00110 16 2 H 1S 0.08497 0.08542 -0.12302 0.05183 -0.00660 17 2S 0.11983 0.38880 -0.17226 -0.62232 0.62161 18 3 C 1S -0.00339 -0.00809 0.01632 0.00968 -0.00236 19 2S -0.02644 -0.16269 0.04352 -0.21297 -0.09990 20 2PX -0.11059 0.01821 0.10202 0.19166 0.07226 21 2PY -0.11189 0.22016 -0.26947 0.24701 0.31374 22 2PZ -0.03746 0.03579 -0.01105 -0.07113 -0.00820 23 3S -0.21126 -1.03437 1.06208 1.02274 -1.03952 24 3PX 0.20700 -0.41198 -0.00250 -0.33148 -0.57064 25 3PY 0.34310 -1.22574 1.21678 -0.85597 -1.51086 26 3PZ 0.03340 0.28121 -0.15777 0.21216 0.19616 27 4XX -0.00008 -0.01950 0.00853 -0.02256 0.00754 28 4YY -0.01964 -0.05566 0.05396 0.00890 -0.06498 29 4ZZ 0.01558 -0.00605 -0.01455 -0.01405 0.00526 30 4XY 0.02036 -0.00400 0.00798 0.01217 -0.00562 31 4XZ -0.00753 0.04199 -0.02627 0.00522 0.01275 32 4YZ -0.01704 0.00170 -0.00648 0.01825 0.00110 33 4 H 1S 0.08494 -0.08545 0.12302 0.05183 0.00660 34 2S 0.11968 -0.38883 0.17227 -0.62236 -0.62159 35 5 C 1S 0.00389 -0.02543 0.02216 -0.01368 -0.02311 36 2S -0.21276 -0.16457 -0.09364 -0.02736 -0.19392 37 2PX -0.06310 0.14605 -0.02426 0.03425 -0.09548 38 2PY -0.14641 -0.17962 0.14783 0.12497 -0.00482 39 2PZ 0.03592 0.13076 -0.00189 0.22383 -0.01086 40 3S 0.89624 0.13001 0.56917 -0.43313 -0.60653 41 3PX -0.00700 -0.00308 0.07102 0.37641 0.26722 42 3PY -0.21326 1.40131 -1.23368 0.70990 0.99148 43 3PZ -0.23666 -0.12594 0.02252 -0.67386 0.17307 44 4XX -0.01686 0.00117 0.00533 0.03487 -0.01687 45 4YY 0.03931 -0.10590 0.02698 -0.10279 -0.11901 46 4ZZ -0.01751 0.00973 -0.00512 0.01166 0.02775 47 4XY 0.00921 -0.00555 -0.00927 -0.00549 -0.03031 48 4XZ 0.01086 0.02721 -0.01921 0.00065 0.03324 49 4YZ -0.01001 -0.01105 0.02536 -0.01907 0.00195 50 6 C 1S 0.00752 0.01461 0.00381 0.00376 -0.00935 51 2S -0.04687 -0.04392 -0.11320 0.08932 -0.15174 52 2PX -0.31710 0.12088 0.17062 -0.12562 0.21018 53 2PY -0.04079 -0.07148 -0.54579 0.02997 0.00939 54 2PZ -0.25305 0.15065 0.01239 -0.13132 -0.03250 55 3S -0.36314 -0.91500 1.94422 -0.67958 -0.40711 56 3PX 0.36132 -0.00058 -0.68873 0.34793 -0.52815 57 3PY 0.26774 -0.38847 2.22833 0.09654 -0.59756 58 3PZ 0.29095 -0.61587 0.22360 0.08234 -0.09423 59 4XX 0.02656 -0.02450 -0.03144 -0.01553 -0.01465 60 4YY -0.01187 0.00836 0.08143 0.02346 -0.00933 61 4ZZ -0.02496 0.00725 -0.01315 -0.00340 -0.00709 62 4XY -0.05036 -0.00075 0.00204 0.01880 0.00852 63 4XZ -0.00840 0.01539 0.00626 0.02960 0.05381 64 4YZ 0.02089 -0.00433 -0.00051 -0.03560 -0.00631 65 7 H 1S 0.07085 0.02497 -0.02873 -0.12746 -0.15051 66 2S 0.06801 -0.23235 0.60240 0.24195 0.09946 67 8 C 1S 0.00751 -0.01462 -0.00381 0.00376 0.00935 68 2S -0.04685 0.04394 0.11320 0.08932 0.15174 69 2PX -0.31714 -0.12076 -0.17063 -0.12564 -0.21018 70 2PY 0.04076 -0.07148 -0.54579 -0.02999 0.00940 71 2PZ -0.25312 -0.15057 -0.01238 -0.13131 0.03251 72 3S -0.36280 0.91514 -1.94421 -0.67958 0.40709 73 3PX 0.36124 0.00043 0.68877 0.34800 0.52815 74 3PY -0.26788 -0.38839 2.22833 -0.09653 -0.59759 75 3PZ 0.29123 0.61578 -0.22362 0.08229 0.09421 76 4XX 0.02657 0.02449 0.03144 -0.01553 0.01465 77 4YY -0.01187 -0.00836 -0.08143 0.02346 0.00933 78 4ZZ -0.02496 -0.00724 0.01315 -0.00340 0.00709 79 4XY 0.05036 -0.00077 0.00204 -0.01880 0.00853 80 4XZ -0.00840 -0.01539 -0.00626 0.02960 -0.05381 81 4YZ -0.02089 -0.00432 -0.00051 0.03560 -0.00631 82 9 H 1S 0.07085 -0.02500 0.02874 -0.12745 0.15052 83 2S 0.06813 0.23235 -0.60242 0.24189 -0.09948 84 10 C 1S 0.00390 0.02543 -0.02216 -0.01368 0.02311 85 2S -0.21269 0.16464 0.09364 -0.02737 0.19392 86 2PX -0.06314 -0.14603 0.02427 0.03425 0.09547 87 2PY 0.14635 -0.17968 0.14783 -0.12497 -0.00482 88 2PZ 0.03586 -0.13077 0.00189 0.22383 0.01086 89 3S 0.89610 -0.13030 -0.56916 -0.43306 0.60656 90 3PX -0.00701 0.00311 -0.07106 0.37637 -0.26717 91 3PY 0.21377 1.40129 -1.23369 -0.70989 0.99151 92 3PZ -0.23660 0.12602 -0.02252 -0.67387 -0.17308 93 4XX -0.01686 -0.00117 -0.00533 0.03487 0.01687 94 4YY 0.03935 0.10589 -0.02698 -0.10279 0.11901 95 4ZZ -0.01751 -0.00972 0.00512 0.01165 -0.02776 96 4XY -0.00921 -0.00554 -0.00927 0.00548 -0.03030 97 4XZ 0.01085 -0.02721 0.01921 0.00065 -0.03324 98 4YZ 0.01000 -0.01105 0.02535 0.01907 0.00195 99 11 O 1S 0.01269 -0.01349 0.00351 -0.01908 -0.01511 100 2S -0.09942 0.12189 0.11956 0.17699 0.10437 101 2PX -0.05569 0.10575 0.06189 0.01630 -0.04043 102 2PY 0.08900 -0.20147 0.13474 -0.23323 -0.22618 103 2PZ 0.00790 0.02247 0.00756 0.07724 -0.07134 104 3S -0.26323 0.57345 -0.86045 0.36509 0.58430 105 3PX 0.03200 -0.00411 -0.08852 0.00842 0.05369 106 3PY -0.31723 0.40733 -0.23378 0.60510 0.58260 107 3PZ 0.01260 0.00350 -0.03723 0.05362 0.06605 108 4XX -0.02078 0.02470 0.02215 0.05855 0.02977 109 4YY -0.04892 0.10347 -0.01046 0.08968 0.08636 110 4ZZ -0.02328 0.02583 0.05001 0.03985 0.03314 111 4XY -0.00434 0.01032 -0.01075 -0.00610 -0.00026 112 4XZ 0.01752 -0.00712 0.02764 -0.00662 -0.01513 113 4YZ 0.00168 0.02032 -0.00952 0.02472 0.00601 114 12 O 1S 0.01269 0.01349 -0.00351 -0.01908 0.01511 115 2S -0.09946 -0.12186 -0.11956 0.17698 -0.10437 116 2PX -0.05573 -0.10573 -0.06188 0.01630 0.04043 117 2PY -0.08907 -0.20144 0.13474 0.23322 -0.22619 118 2PZ 0.00789 -0.02247 -0.00756 0.07724 0.07134 119 3S -0.26343 -0.57339 0.86045 0.36507 -0.58431 120 3PX 0.03202 0.00410 0.08851 0.00840 -0.05367 121 3PY 0.31737 0.40724 -0.23378 -0.60508 0.58262 122 3PZ 0.01260 -0.00351 0.03723 0.05362 -0.06605 123 4XX -0.02079 -0.02470 -0.02215 0.05855 -0.02977 124 4YY -0.04895 -0.10345 0.01046 0.08968 -0.08636 125 4ZZ -0.02329 -0.02582 -0.05001 0.03985 -0.03315 126 4XY 0.00434 0.01032 -0.01075 0.00610 -0.00026 127 4XZ 0.01752 0.00712 -0.02764 -0.00662 0.01513 128 4YZ -0.00167 0.02032 -0.00952 -0.02472 0.00601 129 13 C 1S 0.01299 0.00564 -0.01619 -0.00442 -0.02484 130 2S -0.03483 0.11041 0.13797 -0.02798 -0.25543 131 2PX 0.33223 0.16907 0.16026 0.23962 0.01740 132 2PY -0.15871 0.28599 0.01301 0.02602 -0.16388 133 2PZ 0.11147 0.18664 -0.09577 -0.01066 -0.27228 134 3S -0.25643 -0.43798 -0.38194 -0.13477 0.51720 135 3PX -0.57286 -0.23009 -0.51780 -0.47821 -0.44480 136 3PY 0.18138 -0.55566 0.03696 0.14098 0.65694 137 3PZ -0.04332 -0.75978 0.25686 0.15809 1.10018 138 4XX -0.03681 -0.01935 -0.00425 0.00944 0.00050 139 4YY 0.06282 0.04357 0.02830 -0.01764 -0.04599 140 4ZZ -0.00622 -0.02622 -0.02729 -0.01327 -0.00552 141 4XY -0.01688 0.02517 -0.01876 -0.03069 -0.04710 142 4XZ 0.04182 0.00360 0.01589 -0.00041 0.03148 143 4YZ -0.00806 -0.03555 0.00082 -0.03131 0.04068 144 14 C 1S 0.00252 0.01347 -0.00064 0.01954 -0.01825 145 2S -0.35278 0.07839 0.07772 -0.07957 0.00281 146 2PX 0.11227 -0.05943 0.24834 -0.12442 0.29009 147 2PY -0.00017 0.18983 0.40861 0.17675 0.03464 148 2PZ -0.22312 -0.03642 -0.03604 -0.03208 -0.10651 149 3S 0.59638 -0.68296 -0.74398 0.58017 0.27068 150 3PX -0.29970 0.48126 -0.46910 0.28164 -1.15836 151 3PY 0.03202 -0.69071 -1.45770 -0.49567 -0.16813 152 3PZ 0.56777 0.02087 0.04570 -0.04568 0.38900 153 4XX 0.02302 0.02205 0.02696 0.01703 -0.00640 154 4YY -0.04741 -0.03252 -0.06148 0.00451 -0.00472 155 4ZZ -0.01236 0.01617 0.03037 -0.01308 0.01430 156 4XY -0.01974 -0.01565 0.00690 -0.00856 0.02287 157 4XZ 0.00973 -0.02944 -0.02385 -0.02073 0.00892 158 4YZ -0.00197 0.01435 -0.00844 -0.01335 -0.01912 159 15 C 1S 0.00252 -0.01347 0.00064 0.01954 0.01825 160 2S -0.35280 -0.07827 -0.07773 -0.07958 -0.00280 161 2PX 0.11229 0.05939 -0.24832 -0.12443 -0.29009 162 2PY 0.00023 0.18982 0.40862 -0.17674 0.03464 163 2PZ -0.22311 0.03649 0.03604 -0.03208 0.10651 164 3S 0.59660 0.68275 0.74401 0.58027 -0.27068 165 3PX -0.29985 -0.48115 0.46905 0.28161 1.15836 166 3PY -0.03227 -0.69069 -1.45773 0.49563 -0.16813 167 3PZ 0.56778 -0.02108 -0.04566 -0.04565 -0.38901 168 4XX 0.02301 -0.02206 -0.02696 0.01703 0.00640 169 4YY -0.04740 0.03254 0.06148 0.00451 0.00472 170 4ZZ -0.01237 -0.01616 -0.03037 -0.01308 -0.01430 171 4XY 0.01974 -0.01566 0.00690 0.00856 0.02287 172 4XZ 0.00974 0.02944 0.02385 -0.02073 -0.00892 173 4YZ 0.00197 0.01435 -0.00844 0.01334 -0.01912 174 16 C 1S 0.01299 -0.00565 0.01619 -0.00442 0.02484 175 2S -0.03485 -0.11040 -0.13796 -0.02799 0.25545 176 2PX 0.33218 -0.16918 -0.16025 0.23963 -0.01741 177 2PY 0.15882 0.28595 0.01299 -0.02605 -0.16388 178 2PZ 0.11142 -0.18669 0.09577 -0.01067 0.27227 179 3S -0.25631 0.43809 0.38187 -0.13477 -0.51722 180 3PX -0.57277 0.23030 0.51775 -0.47825 0.44480 181 3PY -0.18158 -0.55563 0.03704 -0.14085 0.65695 182 3PZ -0.04311 0.75981 -0.25686 0.15814 -1.10018 183 4XX -0.03680 0.01936 0.00425 0.00943 -0.00050 184 4YY 0.06281 -0.04359 -0.02830 -0.01763 0.04599 185 4ZZ -0.00621 0.02622 0.02729 -0.01327 0.00552 186 4XY 0.01689 0.02516 -0.01876 0.03069 -0.04710 187 4XZ 0.04182 -0.00362 -0.01589 -0.00041 -0.03148 188 4YZ 0.00805 -0.03555 0.00081 0.03132 0.04068 189 17 H 1S 0.08387 0.16282 -0.03386 -0.01345 -0.14052 190 2S -0.08237 -0.29829 -0.06602 0.10143 0.27282 191 18 H 1S 0.13517 0.06128 -0.06398 0.06429 -0.12944 192 2S 0.13436 -0.41275 -0.21410 -0.44104 0.58092 193 19 H 1S 0.13515 -0.06133 0.06397 0.06430 0.12944 194 2S 0.13451 0.41270 0.21414 -0.44104 -0.58092 195 20 H 1S 0.08380 -0.16285 0.03387 -0.01344 0.14052 196 2S -0.08225 0.29833 0.06598 0.10134 -0.27282 197 21 C 1S -0.00592 0.00000 0.00000 0.00744 0.00000 198 2S -0.00297 0.00000 0.00000 -0.14779 0.00001 199 2PX -0.13908 0.00003 -0.00001 -0.26857 0.00000 200 2PY 0.00006 0.39491 0.03806 0.00000 -0.34783 201 2PZ -0.24838 0.00004 0.00000 -0.02091 0.00000 202 3S 0.13173 -0.00004 0.00004 -0.24117 0.00000 203 3PX 0.05425 -0.00002 0.00002 0.79208 0.00001 204 3PY -0.00018 -1.22527 0.11374 -0.00001 1.64789 205 3PZ 1.15873 -0.00020 -0.00001 -0.04769 -0.00001 206 4XX -0.00249 0.00000 0.00000 -0.02779 0.00000 207 4YY -0.04586 0.00001 0.00000 -0.02021 0.00000 208 4ZZ 0.05352 -0.00001 0.00000 0.03132 0.00000 209 4XY 0.00000 -0.00787 0.02451 0.00000 0.01946 210 4XZ -0.01237 0.00000 0.00000 0.10754 0.00000 211 4YZ 0.00001 0.04276 0.00919 0.00000 -0.03959 212 22 H 1S -0.17450 0.00003 0.00000 -0.23982 0.00000 213 2S -0.41053 0.00007 0.00000 0.87752 0.00000 214 23 H 1S -0.07482 0.00001 -0.00001 0.41188 -0.00001 215 2S -0.53433 0.00009 0.00001 -0.69097 0.00002 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 0.00218 0.01037 -0.00096 -0.01975 0.01624 2 2S 0.24986 0.00876 0.01234 0.12448 -0.12940 3 2PX 0.04890 0.07601 0.05223 -0.30868 0.23256 4 2PY 0.05095 -0.00602 -0.12557 0.21001 0.03514 5 2PZ -0.04748 -0.01262 0.06368 0.24489 -0.23991 6 3S -0.49354 -0.08127 -0.19037 1.42226 -0.30014 7 3PX -0.00335 -0.07274 -0.19477 1.64139 -1.11632 8 3PY -0.21592 -0.14321 0.40914 -1.14385 -0.17819 9 3PZ 0.12833 0.01302 -0.21524 -1.31684 1.18796 10 4XX -0.01112 0.00846 0.02474 0.00434 -0.02835 11 4YY 0.02100 -0.01187 -0.02202 0.05567 -0.00438 12 4ZZ 0.01680 0.00739 -0.00591 0.00246 -0.00472 13 4XY -0.01905 -0.04890 0.00275 0.01534 -0.01506 14 4XZ -0.01351 -0.03056 -0.00592 0.00162 0.00344 15 4YZ -0.01510 0.02000 0.00060 -0.01684 0.01245 16 2 H 1S 0.04243 0.25424 0.00858 -0.20601 0.15318 17 2S 0.10039 -0.21947 -0.16541 1.33304 -0.78299 18 3 C 1S 0.00218 0.01037 0.00084 0.01975 -0.01624 19 2S 0.24986 0.00864 -0.01243 -0.12447 0.12940 20 2PX 0.04889 0.07536 -0.05308 0.30869 -0.23256 21 2PY -0.05092 0.00453 -0.12562 0.21000 0.03514 22 2PZ -0.04746 -0.01332 -0.06355 -0.24489 0.23992 23 3S -0.49358 -0.07883 0.19130 -1.42227 0.30013 24 3PX -0.00332 -0.07026 0.19557 -1.64142 1.11633 25 3PY 0.21581 0.14815 0.40742 -1.14376 -0.17820 26 3PZ 0.12826 0.01531 0.21513 1.31682 -1.18797 27 4XX -0.01112 0.00818 -0.02484 -0.00434 0.02835 28 4YY 0.02100 -0.01161 0.02216 -0.05568 0.00438 29 4ZZ 0.01680 0.00746 0.00583 -0.00246 0.00472 30 4XY 0.01905 0.04893 0.00220 0.01534 -0.01506 31 4XZ -0.01351 -0.03049 0.00627 -0.00162 -0.00344 32 4YZ 0.01510 -0.01999 0.00083 -0.01684 0.01245 33 4 H 1S 0.04243 0.25410 -0.01149 0.20604 -0.15317 34 2S 0.10038 -0.21734 0.16787 -1.33305 0.78300 35 5 C 1S 0.01094 0.01479 0.00086 -0.00635 -0.00228 36 2S -0.04947 0.15313 -0.33133 -0.30879 0.32276 37 2PX 0.12518 0.00407 -0.01560 0.06606 -0.13007 38 2PY -0.00583 -0.11898 0.04874 -0.08510 0.07328 39 2PZ 0.13160 0.06165 0.06383 0.07476 -0.09144 40 3S 0.84091 0.66319 1.20397 2.35529 -2.40485 41 3PX -0.18898 -0.03893 0.10333 -0.03226 0.39049 42 3PY -0.17380 -0.28241 0.09685 1.27910 -0.53043 43 3PZ -0.35944 -0.17256 -0.39850 -0.04845 0.16933 44 4XX 0.03987 0.01120 0.00640 -0.02496 -0.00263 45 4YY 0.02268 0.10857 -0.00354 0.05783 -0.04259 46 4ZZ -0.03183 -0.03952 -0.02190 -0.02339 0.03206 47 4XY 0.00704 0.02685 0.00445 0.00348 -0.00294 48 4XZ -0.01363 -0.00891 0.01129 -0.00389 0.00511 49 4YZ 0.00110 -0.00328 -0.01872 0.00679 0.00541 50 6 C 1S 0.00346 -0.01084 -0.00022 0.02318 -0.01864 51 2S 0.29089 0.32236 -0.02736 -0.02283 0.04158 52 2PX -0.08331 -0.01549 -0.26824 -0.17960 0.26134 53 2PY -0.13588 -0.18948 0.18695 0.01780 0.07887 54 2PZ -0.02524 0.05708 0.01418 0.17682 -0.13832 55 3S -0.79894 -0.70345 -0.37185 -1.44385 0.25049 56 3PX 0.23135 0.10557 1.23607 1.14323 -1.11384 57 3PY 0.51204 0.53678 -0.25614 -0.66730 -0.34608 58 3PZ 0.11848 0.06809 -0.33082 -1.11793 0.55694 59 4XX -0.01533 0.00757 -0.00608 -0.01016 0.00892 60 4YY 0.00748 -0.00165 -0.02955 -0.01785 -0.00767 61 4ZZ 0.04661 0.01122 0.00586 -0.00170 0.00269 62 4XY 0.00304 -0.01959 -0.01378 -0.01338 0.01593 63 4XZ -0.02425 -0.03756 0.00036 0.00781 0.00576 64 4YZ -0.01338 -0.02415 0.00441 0.00711 -0.00225 65 7 H 1S 0.05648 0.02403 0.05292 0.06721 -0.13268 66 2S 0.24094 0.24998 -0.53887 -0.77272 0.41522 67 8 C 1S 0.00346 -0.01083 0.00034 -0.02318 0.01864 68 2S 0.29089 0.32265 0.02371 0.02289 -0.04158 69 2PX -0.08335 -0.01242 0.26839 0.17960 -0.26134 70 2PY 0.13586 0.19161 0.18477 0.01783 0.07887 71 2PZ -0.02522 0.05693 -0.01484 -0.17681 0.13832 72 3S -0.79902 -0.69937 0.37973 1.44371 -0.25049 73 3PX 0.23157 0.09148 -1.23715 -1.14324 1.11383 74 3PY -0.51203 -0.53957 -0.25002 -0.66739 -0.34610 75 3PZ 0.11837 0.07176 0.33003 1.11795 -0.55695 76 4XX -0.01533 0.00764 0.00599 0.01016 -0.00891 77 4YY 0.00747 -0.00132 0.02957 0.01785 0.00767 78 4ZZ 0.04661 0.01115 -0.00598 0.00171 -0.00269 79 4XY -0.00304 0.01944 -0.01400 -0.01338 0.01594 80 4XZ -0.02424 -0.03755 0.00007 -0.00782 -0.00576 81 4YZ 0.01338 0.02420 0.00413 0.00712 -0.00225 82 9 H 1S 0.05648 0.02342 -0.05318 -0.06721 0.13269 83 2S 0.24083 0.25607 0.53602 0.77278 -0.41524 84 10 C 1S 0.01094 0.01478 -0.00103 0.00636 0.00228 85 2S -0.04954 0.15688 0.32954 0.30882 -0.32275 86 2PX 0.12518 0.00425 0.01557 -0.06607 0.13007 87 2PY 0.00582 0.11954 0.04737 -0.08508 0.07329 88 2PZ 0.13161 0.06093 -0.06450 -0.07475 0.09144 89 3S 0.84123 0.64959 -1.21140 -2.35518 2.40486 90 3PX -0.18897 -0.04009 -0.10287 0.03231 -0.39051 91 3PY 0.17378 0.28328 0.09357 1.27920 -0.53042 92 3PZ -0.35949 -0.16799 0.40036 0.04842 -0.16932 93 4XX 0.03987 0.01112 -0.00652 0.02496 0.00263 94 4YY 0.02268 0.10861 0.00229 -0.05781 0.04260 95 4ZZ -0.03184 -0.03927 0.02235 0.02338 -0.03207 96 4XY -0.00704 -0.02679 0.00476 0.00348 -0.00294 97 4XZ -0.01363 -0.00904 -0.01119 0.00388 -0.00511 98 4YZ -0.00110 0.00307 -0.01876 0.00679 0.00541 99 11 O 1S 0.00371 0.01224 0.00025 -0.00072 -0.00354 100 2S 0.04414 -0.15223 0.04802 -0.06665 -0.03202 101 2PX 0.12949 0.01442 0.00666 -0.01976 -0.03009 102 2PY 0.05070 0.24076 -0.02102 0.08355 -0.06380 103 2PZ 0.10345 -0.00827 0.07902 -0.02646 -0.02501 104 3S -0.35629 -0.17951 -0.24688 0.25477 0.28354 105 3PX -0.08864 -0.00499 -0.03449 0.04553 -0.04283 106 3PY -0.17116 -0.58219 0.01862 -0.18622 0.23499 107 3PZ -0.05698 -0.01411 0.00556 0.03006 0.00667 108 4XX 0.01603 -0.05355 0.03010 -0.01543 -0.01479 109 4YY -0.01015 -0.08106 -0.01048 -0.05540 0.02361 110 4ZZ 0.01141 -0.05267 0.02756 -0.01017 -0.01649 111 4XY -0.00005 -0.01582 0.00321 -0.00572 -0.00090 112 4XZ 0.01964 0.02271 0.01030 0.00747 -0.02659 113 4YZ 0.00770 0.00803 -0.00072 0.00339 -0.00528 114 12 O 1S 0.00371 0.01224 -0.00039 0.00072 0.00354 115 2S 0.04415 -0.15278 -0.04626 0.06663 0.03201 116 2PX 0.12949 0.01433 -0.00681 0.01977 0.03008 117 2PY -0.05071 -0.24099 -0.01825 0.08351 -0.06381 118 2PZ 0.10346 -0.00918 -0.07890 0.02646 0.02500 119 3S -0.35635 -0.17659 0.24890 -0.25484 -0.28353 120 3PX -0.08864 -0.00457 0.03453 -0.04555 0.04285 121 3PY 0.17117 0.58237 0.01192 -0.18610 0.23501 122 3PZ -0.05698 -0.01417 -0.00540 -0.03007 -0.00667 123 4XX 0.01604 -0.05389 -0.02948 0.01542 0.01479 124 4YY -0.01016 -0.08094 0.01142 0.05539 -0.02362 125 4ZZ 0.01141 -0.05298 -0.02695 0.01017 0.01649 126 4XY 0.00005 0.01586 0.00304 -0.00572 -0.00090 127 4XZ 0.01964 0.02259 -0.01055 -0.00747 0.02659 128 4YZ -0.00770 -0.00804 -0.00063 0.00339 -0.00528 129 13 C 1S 0.00737 -0.01310 0.03256 -0.01934 -0.00179 130 2S 0.28728 0.24774 -0.28510 0.06000 -0.10979 131 2PX 0.20200 -0.05654 0.18646 0.05173 -0.15882 132 2PY 0.40265 -0.01083 0.31083 -0.41257 -0.17730 133 2PZ -0.06498 -0.08029 -0.32520 0.07227 -0.01860 134 3S -1.32936 -0.48009 0.57872 0.74942 1.42872 135 3PX -0.75109 -0.29431 -0.84141 0.08218 0.72167 136 3PY -1.35722 -0.03913 -0.88702 1.77096 1.10987 137 3PZ 0.29334 -0.01205 1.57499 -0.11637 -0.24101 138 4XX -0.00798 0.03842 -0.04662 0.02141 0.02429 139 4YY 0.00251 -0.04752 0.04525 -0.03574 0.00767 140 4ZZ 0.00328 0.02174 -0.02291 0.03698 -0.01726 141 4XY -0.00508 -0.00621 0.01144 0.02443 0.03881 142 4XZ -0.00861 -0.02785 0.02348 -0.01310 -0.02662 143 4YZ 0.00246 0.00719 -0.00334 -0.00090 -0.03720 144 14 C 1S -0.01316 0.02007 0.01996 0.01084 0.00340 145 2S 0.23902 0.06974 -0.24407 -0.11527 0.12117 146 2PX 0.19221 -0.17257 -0.07078 -0.20662 -0.28364 147 2PY -0.11843 0.15914 0.24462 0.24235 0.38981 148 2PZ -0.28010 0.10656 0.12058 0.25421 0.39474 149 3S 0.24986 0.35712 0.86305 -1.23156 -2.10599 150 3PX -0.82758 0.35015 -0.25130 1.21926 1.46429 151 3PY 0.35119 -0.45404 -1.13138 -1.47659 -1.69964 152 3PZ 0.88352 -0.29332 -0.14983 -1.10273 -1.74510 153 4XX 0.04250 -0.00984 0.02505 -0.00915 -0.01223 154 4YY 0.00773 0.02408 -0.04725 -0.04586 -0.06365 155 4ZZ 0.00067 0.00419 -0.00076 -0.00600 0.01892 156 4XY 0.08644 0.01631 -0.01634 0.00748 -0.01549 157 4XZ -0.01452 -0.02895 -0.03348 0.01641 0.00146 158 4YZ -0.07456 0.01189 0.01085 -0.00489 0.01331 159 15 C 1S -0.01316 0.01984 -0.02019 -0.01084 -0.00340 160 2S 0.23898 0.07252 0.24330 0.11530 -0.12117 161 2PX 0.19221 -0.17179 0.07277 0.20660 0.28364 162 2PY 0.11838 -0.15638 0.24644 0.24233 0.38981 163 2PZ -0.28009 0.10522 -0.12184 -0.25420 -0.39473 164 3S 0.24996 0.34693 -0.86707 1.23159 2.10600 165 3PX -0.82762 0.35325 0.24716 -1.21922 -1.46429 166 3PY -0.35096 0.44129 -1.13655 -1.47653 -1.69964 167 3PZ 0.88349 -0.29181 0.15331 1.10271 1.74511 168 4XX 0.04250 -0.01012 -0.02493 0.00915 0.01223 169 4YY 0.00773 0.02461 0.04697 0.04586 0.06365 170 4ZZ 0.00067 0.00420 0.00071 0.00600 -0.01892 171 4XY -0.08644 -0.01650 -0.01616 0.00748 -0.01549 172 4XZ -0.01452 -0.02856 0.03381 -0.01641 -0.00146 173 4YZ 0.07456 -0.01176 0.01100 -0.00489 0.01331 174 16 C 1S 0.00737 -0.01348 -0.03241 0.01933 0.00179 175 2S 0.28724 0.25099 0.28228 -0.05996 0.10980 176 2PX 0.20203 -0.05868 -0.18577 -0.05174 0.15882 177 2PY -0.40269 0.01447 0.31062 -0.41258 -0.17730 178 2PZ -0.06503 -0.07654 0.32608 -0.07229 0.01860 179 3S -1.32928 -0.48652 -0.57335 -0.74952 -1.42875 180 3PX -0.75124 -0.28459 0.84464 -0.08223 -0.72168 181 3PY 1.35730 0.02865 -0.88724 1.77100 1.10989 182 3PZ 0.29359 -0.03015 -1.57468 0.11637 0.24100 183 4XX -0.00798 0.03895 0.04617 -0.02141 -0.02429 184 4YY 0.00252 -0.04805 -0.04470 0.03574 -0.00767 185 4ZZ 0.00328 0.02200 0.02266 -0.03698 0.01726 186 4XY 0.00508 0.00633 0.01137 0.02443 0.03881 187 4XZ -0.00860 -0.02813 -0.02316 0.01310 0.02662 188 4YZ -0.00246 -0.00723 -0.00326 -0.00091 -0.03720 189 17 H 1S 0.13875 -0.18621 0.20845 -0.22374 -0.01744 190 2S -0.67676 0.25287 -1.20565 1.12586 0.39619 191 18 H 1S -0.30477 0.06542 0.19026 0.13171 0.21484 192 2S 1.05887 -0.51117 -0.70670 -1.16101 -1.49483 193 19 H 1S -0.30474 0.06325 -0.19105 -0.13171 -0.21483 194 2S 1.05875 -0.50325 0.71266 1.16096 1.49483 195 20 H 1S 0.13877 -0.18862 -0.20628 0.22372 0.01742 196 2S -0.67690 0.26687 1.20258 -1.12585 -0.39618 197 21 C 1S 0.03352 0.00402 -0.00002 0.00000 0.00000 198 2S -0.16671 -0.11286 0.00064 -0.00001 0.00000 199 2PX 0.23527 -0.54529 0.00315 -0.00003 -0.00002 200 2PY 0.00003 -0.00215 -0.37467 0.00085 0.04963 201 2PZ 0.09294 -0.19251 0.00112 -0.00001 -0.00001 202 3S 0.99050 0.22096 -0.00123 0.00003 0.00001 203 3PX -0.04901 1.78030 -0.01023 0.00012 0.00005 204 3PY -0.00013 0.00881 1.54086 0.44265 0.04238 205 3PZ -0.77616 -0.06671 0.00031 -0.00002 0.00000 206 4XX 0.01255 -0.01084 0.00006 0.00000 0.00000 207 4YY 0.00659 0.02892 -0.00017 0.00000 0.00000 208 4ZZ 0.00950 -0.03112 0.00018 0.00000 0.00000 209 4XY 0.00000 0.00001 0.00283 0.01649 0.03344 210 4XZ -0.03269 0.06582 -0.00038 0.00000 0.00000 211 4YZ 0.00000 -0.00012 -0.02108 -0.05058 -0.03344 212 22 H 1S 0.17192 0.00387 -0.00001 0.00001 0.00000 213 2S -0.15028 1.20365 -0.00691 0.00008 0.00002 214 23 H 1S 0.09036 0.30012 -0.00171 0.00002 0.00000 215 2S 0.31546 -0.90778 0.00524 -0.00006 -0.00002 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 0.01572 0.00482 0.00322 -0.00191 -0.01420 2 2S -0.08426 -0.68855 0.11481 -0.09762 0.06280 3 2PX 0.31069 0.19765 0.08507 0.03120 -0.32121 4 2PY -0.34587 -0.21668 -0.14503 -0.04233 0.16499 5 2PZ -0.20672 -0.14759 0.03570 -0.02463 0.23026 6 3S -0.40682 1.77909 -0.74000 0.28079 0.19019 7 3PX -0.92942 -0.35365 -0.37815 0.01406 0.80564 8 3PY 1.56539 0.67707 0.58376 0.11423 -0.10340 9 3PZ 0.55185 0.16533 -0.19125 0.02615 -0.63921 10 4XX 0.03632 0.02121 0.03842 -0.01852 0.01438 11 4YY -0.06796 -0.06214 -0.02416 -0.01206 -0.00622 12 4ZZ 0.00417 -0.04044 -0.00157 0.00353 0.01061 13 4XY -0.01488 -0.04600 -0.00461 -0.01763 0.05753 14 4XZ -0.04920 -0.01254 -0.02322 0.00910 0.04308 15 4YZ 0.00629 0.04113 0.00838 -0.00378 -0.05773 16 2 H 1S 0.30464 0.25657 0.08826 0.11711 -0.28212 17 2S -1.28995 -1.05977 -0.27112 -0.13590 0.94693 18 3 C 1S -0.01572 0.00482 -0.00322 -0.00191 -0.01420 19 2S 0.08427 -0.68855 -0.11478 -0.09764 0.06282 20 2PX -0.31070 0.19766 -0.08513 0.03118 -0.32121 21 2PY -0.34586 0.21667 -0.14506 0.04229 -0.16497 22 2PZ 0.20672 -0.14758 -0.03567 -0.02464 0.23027 23 3S 0.40684 1.77909 0.73995 0.28095 0.19007 24 3PX 0.92947 -0.35370 0.37826 0.01413 0.80559 25 3PY 1.56536 -0.67703 0.58380 -0.11408 0.10338 26 3PZ -0.55185 0.16533 0.19117 0.02619 -0.63920 27 4XX -0.03633 0.02121 -0.03841 -0.01853 0.01438 28 4YY 0.06796 -0.06214 0.02416 -0.01206 -0.00622 29 4ZZ -0.00417 -0.04045 0.00157 0.00353 0.01061 30 4XY -0.01488 0.04600 -0.00462 0.01763 -0.05753 31 4XZ 0.04920 -0.01254 0.02323 0.00911 0.04308 32 4YZ 0.00629 -0.04113 0.00838 0.00378 0.05773 33 4 H 1S -0.30465 0.25657 -0.08832 0.11709 -0.28212 34 2S 1.28996 -1.05978 0.27127 -0.13583 0.94692 35 5 C 1S -0.00901 0.00086 -0.01011 -0.00308 0.01660 36 2S -0.14087 0.05065 -0.22376 -0.24961 0.26842 37 2PX 0.16489 -0.18019 0.09600 -0.04768 -0.13702 38 2PY 0.03042 0.00101 0.03359 0.04795 -0.09460 39 2PZ 0.04884 -0.04381 0.09789 0.12837 0.04153 40 3S 0.26905 -0.32067 0.46185 1.09573 -0.78735 41 3PX -0.45260 0.63705 -0.16766 0.47902 0.63515 42 3PY 0.20954 -0.15621 -0.19395 0.24147 -0.40103 43 3PZ 0.17641 -0.16728 -0.61055 -0.49738 -0.38759 44 4XX 0.00975 -0.02424 0.03074 0.01630 0.03416 45 4YY -0.06355 0.02281 -0.09414 0.00262 0.00995 46 4ZZ 0.00868 0.01370 0.00190 -0.03115 -0.00035 47 4XY 0.03178 0.01907 -0.00541 0.03255 0.01773 48 4XZ 0.00320 0.01043 0.00286 0.00801 -0.01396 49 4YZ -0.02396 0.00076 -0.02351 -0.01160 -0.00888 50 6 C 1S 0.02659 -0.01423 -0.00128 0.01629 -0.00814 51 2S -0.18267 0.24984 0.17700 0.18064 0.23931 52 2PX -0.15206 0.12680 -0.11026 -0.28451 0.07136 53 2PY 0.10767 -0.15273 -0.28703 0.03855 -0.15196 54 2PZ 0.33893 -0.18214 -0.48394 0.14462 -0.15205 55 3S -0.15379 -0.80489 -0.00487 -0.80044 -0.71764 56 3PX 0.60301 -0.25477 0.29845 0.77950 -0.01568 57 3PY -0.98363 0.43821 1.40014 0.18764 0.41161 58 3PZ -1.16110 0.35643 1.30426 -0.50776 0.23388 59 4XX -0.00399 0.00838 0.01208 -0.02136 0.00552 60 4YY -0.02817 0.01777 0.04892 0.01623 0.02086 61 4ZZ 0.00422 -0.00171 -0.01839 0.03142 0.00092 62 4XY -0.00331 0.02736 0.00685 -0.03019 -0.00514 63 4XZ -0.02229 0.02159 0.02412 -0.03703 -0.00827 64 4YZ 0.00576 -0.02824 -0.02427 0.01852 -0.06761 65 7 H 1S 0.19920 -0.21300 -0.25499 0.10561 -0.29948 66 2S -1.10976 0.70682 1.23281 -0.44697 0.59581 67 8 C 1S -0.02659 -0.01423 0.00128 0.01629 -0.00814 68 2S 0.18267 0.24984 -0.17700 0.18060 0.23933 69 2PX 0.15206 0.12680 0.11031 -0.28449 0.07135 70 2PY 0.10767 0.15273 -0.28700 -0.03861 0.15200 71 2PZ -0.33893 -0.18214 0.48388 0.14471 -0.15210 72 3S 0.15376 -0.80490 0.00497 -0.80047 -0.71762 73 3PX -0.60304 -0.25475 -0.29857 0.77945 -0.01560 74 3PY -0.98364 -0.43826 1.40014 -0.18735 -0.41192 75 3PZ 1.16110 0.35644 -1.30412 -0.50801 0.23395 76 4XX 0.00398 0.00837 -0.01207 -0.02136 0.00552 77 4YY 0.02817 0.01777 -0.04892 0.01622 0.02086 78 4ZZ -0.00421 -0.00171 0.01838 0.03142 0.00091 79 4XY -0.00331 -0.02736 0.00684 0.03019 0.00514 80 4XZ 0.02230 0.02160 -0.02412 -0.03704 -0.00827 81 4YZ 0.00575 0.02824 -0.02426 -0.01852 0.06761 82 9 H 1S -0.19920 -0.21300 0.25493 0.10567 -0.29951 83 2S 1.10977 0.70684 -1.23264 -0.44723 0.59593 84 10 C 1S 0.00901 0.00086 0.01012 -0.00308 0.01660 85 2S 0.14087 0.05065 0.22384 -0.24957 0.26838 86 2PX -0.16489 -0.18020 -0.09601 -0.04771 -0.13702 87 2PY 0.03043 -0.00101 0.03362 -0.04794 0.09459 88 2PZ -0.04883 -0.04381 -0.09792 0.12836 0.04154 89 3S -0.26905 -0.32065 -0.46216 1.09563 -0.78721 90 3PX 0.45264 0.63710 0.16762 0.47906 0.63526 91 3PY 0.20955 0.15621 -0.19385 -0.24154 0.40106 92 3PZ -0.17643 -0.16732 0.61063 -0.49727 -0.38772 93 4XX -0.00975 -0.02424 -0.03074 0.01629 0.03416 94 4YY 0.06355 0.02281 0.09414 0.00264 0.00994 95 4ZZ -0.00868 0.01370 -0.00189 -0.03115 -0.00035 96 4XY 0.03178 -0.01907 -0.00541 -0.03255 -0.01773 97 4XZ -0.00320 0.01043 -0.00286 0.00801 -0.01396 98 4YZ -0.02396 -0.00076 -0.02351 0.01160 0.00888 99 11 O 1S -0.00727 0.00363 -0.00362 -0.00287 0.00596 100 2S 0.12776 -0.06952 0.20494 -0.00893 0.04567 101 2PX -0.04515 0.00494 0.00914 0.02315 0.05766 102 2PY -0.08846 0.02708 -0.13091 0.04581 -0.01535 103 2PZ -0.02852 0.03300 0.04937 0.11190 0.13400 104 3S -0.05613 0.06361 -0.42595 -0.03681 -0.16989 105 3PX 0.10396 -0.06426 0.06436 -0.06603 -0.16506 106 3PY 0.23384 -0.07216 0.25097 -0.04455 -0.07623 107 3PZ 0.03836 -0.04666 0.04439 -0.04824 -0.10342 108 4XX 0.03620 -0.02695 0.06871 0.00439 0.00355 109 4YY 0.04879 -0.01914 0.07773 -0.03432 0.04328 110 4ZZ 0.03924 -0.01108 0.05650 0.00302 -0.00278 111 4XY 0.01492 -0.03108 -0.00758 -0.01843 -0.00378 112 4XZ 0.01111 -0.01109 0.02588 0.01687 -0.01719 113 4YZ -0.00425 0.01100 0.01200 0.00766 0.01170 114 12 O 1S 0.00727 0.00363 0.00362 -0.00287 0.00596 115 2S -0.12775 -0.06952 -0.20493 -0.00897 0.04570 116 2PX 0.04515 0.00495 -0.00914 0.02314 0.05766 117 2PY -0.08846 -0.02708 -0.13091 -0.04584 0.01536 118 2PZ 0.02853 0.03300 -0.04937 0.11189 0.13400 119 3S 0.05611 0.06360 0.42594 -0.03671 -0.16997 120 3PX -0.10397 -0.06427 -0.06436 -0.06604 -0.16507 121 3PY 0.23385 0.07217 0.25100 0.04460 0.07621 122 3PZ -0.03836 -0.04666 -0.04439 -0.04825 -0.10341 123 4XX -0.03620 -0.02695 -0.06871 0.00438 0.00356 124 4YY -0.04879 -0.01914 -0.07772 -0.03433 0.04329 125 4ZZ -0.03924 -0.01108 -0.05650 0.00301 -0.00277 126 4XY 0.01492 0.03108 -0.00758 0.01842 0.00379 127 4XZ -0.01111 -0.01109 -0.02588 0.01686 -0.01718 128 4YZ -0.00425 -0.01100 0.01200 -0.00765 -0.01170 129 13 C 1S -0.02269 0.00406 0.00091 0.01104 0.00508 130 2S 0.15979 -0.08802 0.01498 0.18126 -0.21811 131 2PX 0.07476 -0.14274 0.15211 0.09477 -0.01344 132 2PY -0.28686 0.07917 -0.13189 0.07539 0.31113 133 2PZ 0.04020 -0.02587 0.11028 0.03358 -0.11382 134 3S -0.54435 0.53596 0.31874 -0.30072 0.71717 135 3PX -0.43437 0.41743 0.09614 -0.06354 0.10023 136 3PY 1.01302 -0.12777 0.34954 -0.23773 -0.59861 137 3PZ 0.17801 -0.13554 -0.31190 -0.03229 -0.00009 138 4XX -0.00472 -0.01560 0.03286 -0.01627 -0.03219 139 4YY -0.03166 0.03452 -0.03887 0.00774 0.02522 140 4ZZ 0.03818 -0.01444 0.01574 0.04228 -0.02050 141 4XY -0.00800 -0.00184 -0.01167 0.03687 0.01796 142 4XZ 0.00989 -0.00449 -0.01106 -0.03285 -0.01619 143 4YZ 0.02180 0.00517 0.01036 0.03083 -0.01046 144 14 C 1S -0.00446 -0.00806 0.00697 0.01806 0.01127 145 2S -0.01525 0.18751 -0.32460 -0.07914 -0.00607 146 2PX 0.11891 0.11981 -0.20976 -0.21980 -0.13597 147 2PY 0.07256 -0.14419 -0.15553 0.20137 0.09132 148 2PZ -0.05211 -0.11304 0.03095 0.21785 0.04229 149 3S -0.20284 -0.85116 0.89130 0.51997 -0.00923 150 3PX -0.41885 -0.19202 1.02750 0.40913 0.24255 151 3PY -0.58929 0.48031 0.56974 -0.35087 0.01249 152 3PZ 0.33734 0.15910 -0.42892 -0.27616 -0.13825 153 4XX 0.00829 -0.00462 -0.02711 0.03208 0.00704 154 4YY -0.01155 0.00620 0.01293 0.01282 0.00271 155 4ZZ -0.00117 0.01634 -0.02761 -0.05484 -0.00530 156 4XY 0.01643 -0.00108 0.01169 -0.03461 -0.02925 157 4XZ 0.00842 0.00959 0.01662 -0.03622 -0.03833 158 4YZ -0.01159 0.00643 -0.01501 0.02655 0.04336 159 15 C 1S 0.00446 -0.00806 -0.00697 0.01806 0.01127 160 2S 0.01526 0.18750 0.32463 -0.07906 -0.00612 161 2PX -0.11891 0.11981 0.20980 -0.21975 -0.13600 162 2PY 0.07256 0.14419 -0.15549 -0.20141 -0.09129 163 2PZ 0.05210 -0.11304 -0.03099 0.21783 0.04230 164 3S 0.20283 -0.85114 -0.89144 0.51975 -0.00912 165 3PX 0.41884 -0.19201 -1.02757 0.40887 0.24273 166 3PY -0.58929 -0.48028 0.56963 0.35102 -0.01262 167 3PZ -0.33731 0.15909 0.42897 -0.27605 -0.13835 168 4XX -0.00828 -0.00462 0.02711 0.03209 0.00704 169 4YY 0.01155 0.00620 -0.01293 0.01281 0.00271 170 4ZZ 0.00117 0.01634 0.02762 -0.05483 -0.00531 171 4XY 0.01642 0.00108 0.01168 0.03461 0.02924 172 4XZ -0.00842 0.00959 -0.01661 -0.03623 -0.03833 173 4YZ -0.01158 -0.00643 -0.01501 -0.02655 -0.04336 174 16 C 1S 0.02269 0.00406 -0.00091 0.01104 0.00508 175 2S -0.15978 -0.08802 -0.01503 0.18126 -0.21812 176 2PX -0.07475 -0.14273 -0.15213 0.09475 -0.01343 177 2PY -0.28686 -0.07917 -0.13190 -0.07541 -0.31111 178 2PZ -0.04020 -0.02588 -0.11030 0.03355 -0.11380 179 3S 0.54432 0.53598 -0.31861 -0.30080 0.71728 180 3PX 0.43435 0.41741 -0.09610 -0.06358 0.10027 181 3PY 1.01302 0.12776 0.34958 0.23779 0.59855 182 3PZ -0.17801 -0.13551 0.31189 -0.03219 -0.00018 183 4XX 0.00472 -0.01560 -0.03286 -0.01627 -0.03218 184 4YY 0.03166 0.03452 0.03887 0.00775 0.02521 185 4ZZ -0.03818 -0.01444 -0.01575 0.04228 -0.02050 186 4XY -0.00800 0.00184 -0.01167 -0.03687 -0.01796 187 4XZ -0.00989 -0.00449 0.01107 -0.03285 -0.01619 188 4YZ 0.02180 -0.00517 0.01037 -0.03083 0.01046 189 17 H 1S -0.19466 0.16152 -0.13020 -0.03208 0.19703 190 2S 0.84414 -0.28569 0.44233 -0.03966 -0.68705 191 18 H 1S -0.03367 -0.04605 -0.03489 0.26738 0.17891 192 2S 0.16389 0.48487 -0.46013 -0.72544 -0.35997 193 19 H 1S 0.03367 -0.04605 0.03486 0.26739 0.17890 194 2S -0.16387 0.48485 0.46026 -0.72532 -0.36004 195 20 H 1S 0.19466 0.16152 0.13022 -0.03206 0.19701 196 2S -0.84414 -0.28570 -0.44239 -0.03974 -0.68698 197 21 C 1S 0.00000 -0.01090 0.00000 -0.01636 -0.01430 198 2S 0.00000 0.38403 -0.00005 0.53176 -0.00481 199 2PX 0.00001 -0.05300 -0.00005 0.43640 -0.10005 200 2PY -0.00376 0.00001 -0.03910 0.00000 0.00000 201 2PZ 0.00000 0.15853 -0.00004 0.34314 -0.06460 202 3S 0.00000 -0.52650 0.00013 -0.77054 0.47865 203 3PX -0.00002 -0.32739 0.00008 -0.64148 0.19030 204 3PY 0.38690 -0.00002 0.06095 -0.00001 0.00001 205 3PZ -0.00001 0.10765 0.00013 -1.09895 0.11958 206 4XX 0.00000 -0.03327 0.00000 0.01048 -0.05422 207 4YY 0.00000 0.03789 -0.00001 0.11118 0.02125 208 4ZZ 0.00000 0.05290 0.00001 -0.05300 0.02797 209 4XY -0.00315 0.00000 0.02639 0.00000 0.00000 210 4XZ 0.00000 -0.05165 0.00001 -0.08296 -0.00542 211 4YZ -0.02593 0.00000 0.00674 0.00000 0.00000 212 22 H 1S 0.00000 -0.24505 -0.00002 0.06595 -0.23934 213 2S -0.00001 -0.02331 0.00001 -0.07117 0.12744 214 23 H 1S 0.00000 -0.33998 0.00004 -0.46527 -0.09078 215 2S 0.00002 0.43766 -0.00017 1.54935 -0.18712 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 0.00205 -0.01850 0.00800 -0.00204 -0.00187 2 2S -0.08821 -0.28490 0.17506 0.44795 -0.14072 3 2PX -0.03281 -0.20577 -0.04103 -0.28211 -0.11451 4 2PY 0.01148 0.02751 0.02452 -0.31320 0.08854 5 2PZ -0.07669 0.17528 -0.01175 0.16995 0.01524 6 3S -0.28047 1.18360 -0.80933 -2.47795 -0.26478 7 3PX -0.07741 0.72703 -0.12130 2.07626 0.20416 8 3PY -0.33870 0.35964 -0.22158 4.09185 -0.44341 9 3PZ 0.58578 -0.58661 0.24019 -1.45834 -0.01381 10 4XX -0.02796 -0.01471 -0.01813 0.05934 -0.02409 11 4YY -0.00359 -0.03015 0.02633 -0.05449 -0.02449 12 4ZZ 0.00925 0.00772 0.01818 0.04504 0.03517 13 4XY -0.01511 0.05486 -0.01861 0.00102 -0.01385 14 4XZ 0.00430 0.05205 -0.00991 -0.04338 -0.00353 15 4YZ -0.00064 -0.04102 -0.00507 -0.00273 0.04466 16 2 H 1S 0.01118 -0.14067 -0.06947 0.05284 0.09205 17 2S -0.11042 0.48426 0.08816 0.38385 0.16509 18 3 C 1S -0.00204 -0.01850 0.00800 0.00204 -0.00187 19 2S 0.08828 -0.28488 0.17511 -0.44792 -0.14073 20 2PX 0.03285 -0.20577 -0.04105 0.28210 -0.11451 21 2PY 0.01148 -0.02750 -0.02449 -0.31322 -0.08852 22 2PZ 0.07667 0.17529 -0.01174 -0.16995 0.01524 23 3S 0.28025 1.18367 -0.80953 2.47780 -0.26480 24 3PX 0.07728 0.72705 -0.12114 -2.07616 0.20426 25 3PY -0.33862 -0.35977 0.22124 4.09197 0.44323 26 3PZ -0.58569 -0.58674 0.24005 1.45837 -0.01387 27 4XX 0.02797 -0.01471 -0.01812 -0.05935 -0.02409 28 4YY 0.00359 -0.03015 0.02633 0.05449 -0.02450 29 4ZZ -0.00925 0.00772 0.01818 -0.04503 0.03517 30 4XY -0.01510 -0.05487 0.01861 0.00102 0.01385 31 4XZ -0.00431 0.05205 -0.00992 0.04338 -0.00354 32 4YZ -0.00065 0.04102 0.00507 -0.00273 -0.04466 33 4 H 1S -0.01117 -0.14066 -0.06947 -0.05284 0.09205 34 2S 0.11036 0.48427 0.08819 -0.38382 0.16509 35 5 C 1S -0.00669 0.00520 0.00177 -0.01215 -0.02154 36 2S -0.25036 0.21189 0.10441 -0.30620 -0.53083 37 2PX -0.18319 -0.19210 0.22624 0.18530 -0.08962 38 2PY 0.13225 -0.00966 -0.09408 0.14377 -0.00002 39 2PZ -0.00771 0.17499 -0.01189 -0.27931 -0.01649 40 3S 1.44375 -0.91146 -0.25093 1.15710 1.34173 41 3PX 1.61701 1.02457 -0.96779 -2.81940 0.08831 42 3PY -0.38031 -0.04182 0.20665 -0.76373 -0.24632 43 3PZ -0.44697 -0.83077 0.26934 2.29572 -0.07227 44 4XX -0.02613 0.02151 0.02177 0.00464 -0.01128 45 4YY -0.02233 -0.02371 -0.02732 -0.06050 -0.06938 46 4ZZ 0.03251 0.01267 0.00289 0.01069 0.00942 47 4XY 0.00007 0.04765 -0.01203 -0.00955 0.01153 48 4XZ -0.02195 -0.01375 -0.01056 0.00378 0.01464 49 4YZ -0.00606 -0.02823 -0.00289 0.00730 -0.02336 50 6 C 1S 0.00066 0.00317 0.00078 -0.01655 -0.00270 51 2S -0.28587 0.04927 0.30447 0.08725 0.47821 52 2PX -0.02558 -0.18469 0.13148 0.12222 0.06107 53 2PY -0.24905 -0.01039 -0.15958 0.13779 -0.11295 54 2PZ 0.34303 0.12647 -0.38812 0.00462 -0.00993 55 3S 1.29431 -0.48738 -0.37121 0.99110 -1.03881 56 3PX 0.84842 0.54941 -0.47046 -1.54987 0.11744 57 3PY 2.17052 0.17720 0.06553 -1.59349 0.37559 58 3PZ -1.75537 -0.31057 0.73165 0.87381 0.06919 59 4XX -0.00633 0.00031 0.05030 0.01003 0.00761 60 4YY 0.02782 0.01405 0.01646 -0.00924 0.06191 61 4ZZ -0.04779 -0.01471 0.00179 0.01739 -0.02931 62 4XY -0.00384 0.00797 0.04732 0.01976 -0.01349 63 4XZ 0.04976 -0.02726 0.03989 -0.02837 -0.02413 64 4YZ -0.00907 0.01993 -0.06605 -0.00292 0.01102 65 7 H 1S -0.15720 -0.02275 -0.29554 0.08128 -0.08410 66 2S -0.49027 -0.22147 1.03818 0.17283 0.38305 67 8 C 1S -0.00067 0.00316 0.00078 0.01655 -0.00270 68 2S 0.28587 0.04932 0.30448 -0.08721 0.47817 69 2PX 0.02562 -0.18468 0.13149 -0.12221 0.06108 70 2PY -0.24905 0.01034 0.15955 0.13781 0.11294 71 2PZ -0.34305 0.12640 -0.38813 -0.00465 -0.00992 72 3S -1.29421 -0.48762 -0.37117 -0.99117 -1.03869 73 3PX -0.84851 0.54921 -0.47060 1.54982 0.11730 74 3PY 2.17057 -0.17673 -0.06530 -1.59356 -0.37550 75 3PZ 1.75542 -0.31020 0.73179 -0.87374 0.06920 76 4XX 0.00633 0.00031 0.05029 -0.01003 0.00761 77 4YY -0.02782 0.01405 0.01646 0.00924 0.06191 78 4ZZ 0.04779 -0.01470 0.00179 -0.01739 -0.02931 79 4XY -0.00384 -0.00797 -0.04733 0.01976 0.01349 80 4XZ -0.04976 -0.02727 0.03989 0.02838 -0.02413 81 4YZ -0.00906 -0.01993 0.06604 -0.00291 -0.01102 82 9 H 1S 0.15720 -0.02272 -0.29553 -0.08130 -0.08408 83 2S 0.49033 -0.22137 1.03821 -0.17275 0.38302 84 10 C 1S 0.00669 0.00520 0.00177 0.01215 -0.02154 85 2S 0.25032 0.21194 0.10438 0.30618 -0.53084 86 2PX 0.18322 -0.19205 0.22627 -0.18527 -0.08962 87 2PY 0.13224 0.00969 0.09406 0.14378 0.00003 88 2PZ 0.00768 0.17499 -0.01191 0.27931 -0.01650 89 3S -1.44363 -0.91175 -0.25089 -1.15702 1.34178 90 3PX -1.61718 1.02419 -0.96810 2.81925 0.08819 91 3PY -0.38024 0.04170 -0.20660 -0.76383 0.24634 92 3PZ 0.44713 -0.83065 0.26953 -2.29571 -0.07213 93 4XX 0.02613 0.02151 0.02177 -0.00463 -0.01128 94 4YY 0.02233 -0.02370 -0.02733 0.06050 -0.06938 95 4ZZ -0.03251 0.01267 0.00289 -0.01069 0.00943 96 4XY 0.00008 -0.04765 0.01203 -0.00955 -0.01152 97 4XZ 0.02196 -0.01375 -0.01056 -0.00378 0.01464 98 4YZ -0.00607 0.02823 0.00289 0.00730 0.02336 99 11 O 1S 0.00284 -0.00217 -0.00242 0.00777 0.00823 100 2S 0.10381 0.01138 0.07371 0.13797 0.07588 101 2PX -0.04886 -0.22870 0.02976 -0.09474 -0.20235 102 2PY -0.02054 -0.06239 -0.05696 -0.11963 -0.13278 103 2PZ -0.17723 0.02187 -0.12621 -0.02496 -0.18142 104 3S -0.52847 0.17576 0.03047 -0.82049 -0.53822 105 3PX -0.17428 0.13168 0.14645 0.42371 0.24059 106 3PY 0.01784 0.14882 0.08371 0.10988 0.13175 107 3PZ 0.21045 0.09343 0.09810 -0.27235 0.20920 108 4XX 0.02244 0.00255 0.01579 0.06041 0.03119 109 4YY 0.00930 0.03157 0.04880 0.02677 0.01750 110 4ZZ 0.06815 -0.00869 0.00115 0.07674 0.07707 111 4XY -0.01220 -0.02347 0.00634 0.00714 -0.02566 112 4XZ 0.01215 -0.01501 0.00688 0.02917 0.02555 113 4YZ -0.00375 0.02088 0.00699 -0.02806 -0.00422 114 12 O 1S -0.00284 -0.00217 -0.00242 -0.00777 0.00823 115 2S -0.10380 0.01136 0.07372 -0.13795 0.07589 116 2PX 0.04890 -0.22869 0.02974 0.09473 -0.20232 117 2PY -0.02055 0.06239 0.05698 -0.11962 0.13277 118 2PZ 0.17723 0.02190 -0.12621 0.02494 -0.18143 119 3S 0.52842 0.17588 0.03043 0.82046 -0.53827 120 3PX 0.17425 0.13173 0.14651 -0.42367 0.24056 121 3PY 0.01785 -0.14883 -0.08374 0.10988 -0.13173 122 3PZ -0.21047 0.09339 0.09808 0.27237 0.20919 123 4XX -0.02244 0.00255 0.01579 -0.06040 0.03119 124 4YY -0.00931 0.03157 0.04880 -0.02676 0.01750 125 4ZZ -0.06814 -0.00871 0.00115 -0.07674 0.07707 126 4XY -0.01220 0.02347 -0.00634 0.00714 0.02565 127 4XZ -0.01215 -0.01501 0.00689 -0.02917 0.02555 128 4YZ -0.00375 -0.02088 -0.00699 -0.02806 0.00422 129 13 C 1S -0.01238 0.00013 0.00270 0.00363 -0.00977 130 2S -0.36764 0.44034 0.25135 -0.02835 0.22976 131 2PX -0.15572 -0.05041 0.12737 -0.26404 -0.12975 132 2PY 0.18749 -0.23994 -0.31020 0.03637 0.10683 133 2PZ 0.10095 0.00420 0.09823 0.02992 -0.12984 134 3S 1.63389 -0.88517 -0.87395 0.44825 -0.04440 135 3PX 0.67298 0.05157 -0.45196 0.77768 -0.07155 136 3PY -0.63378 0.40738 0.54620 -0.21300 0.23170 137 3PZ -0.71437 0.09551 -0.14981 -0.41768 0.45130 138 4XX -0.02217 0.03429 0.01950 -0.00190 -0.03353 139 4YY -0.03248 -0.03976 -0.06014 0.02105 0.08996 140 4ZZ 0.01305 0.06002 0.07198 -0.01725 -0.03762 141 4XY 0.00643 -0.03676 0.02682 0.01198 0.01093 142 4XZ 0.01057 -0.02342 0.00606 -0.01951 -0.00592 143 4YZ -0.00407 0.01700 0.04024 -0.00653 -0.01536 144 14 C 1S 0.00090 0.00185 -0.00061 -0.00724 -0.00866 145 2S -0.42824 0.39798 0.01315 0.27418 -0.28323 146 2PX -0.13843 0.09868 -0.06083 -0.07297 -0.02017 147 2PY -0.24140 -0.12287 -0.00657 0.00805 0.13614 148 2PZ 0.19954 -0.16207 0.02870 0.09432 0.03840 149 3S 1.13138 -0.71854 0.33843 -0.87514 0.93988 150 3PX 1.08715 -0.25904 0.08402 0.25853 -0.01841 151 3PY 1.46261 0.23472 -0.19681 0.32637 -0.47932 152 3PZ -0.88817 0.35830 0.02426 -0.41788 -0.07107 153 4XX -0.03554 0.03437 -0.00467 -0.00590 -0.00374 154 4YY 0.02550 0.03237 -0.00041 0.00909 -0.01493 155 4ZZ -0.04135 -0.01505 -0.00022 0.01499 -0.02350 156 4XY -0.00394 0.04049 0.03801 -0.01125 -0.01189 157 4XZ 0.05200 0.02577 -0.00520 -0.00299 -0.00103 158 4YZ 0.00376 -0.05999 0.02307 0.01576 -0.01898 159 15 C 1S -0.00090 0.00185 -0.00061 0.00724 -0.00866 160 2S 0.42815 0.39807 0.01318 -0.27418 -0.28322 161 2PX 0.13841 0.09871 -0.06083 0.07297 -0.02018 162 2PY -0.24143 0.12281 0.00657 0.00805 -0.13614 163 2PZ -0.19951 -0.16210 0.02870 -0.09432 0.03842 164 3S -1.13120 -0.71879 0.33834 0.87516 0.93988 165 3PX -1.08709 -0.25927 0.08405 -0.25853 -0.01836 166 3PY 1.46269 -0.23439 0.19680 0.32638 0.47924 167 3PZ 0.88809 0.35847 0.02425 0.41789 -0.07114 168 4XX 0.03553 0.03438 -0.00467 0.00590 -0.00374 169 4YY -0.02551 0.03236 -0.00041 -0.00909 -0.01493 170 4ZZ 0.04135 -0.01504 -0.00022 -0.01499 -0.02350 171 4XY -0.00393 -0.04049 -0.03801 -0.01125 0.01189 172 4XZ -0.05200 0.02576 -0.00520 0.00299 -0.00103 173 4YZ 0.00375 0.05999 -0.02307 0.01576 0.01897 174 16 C 1S 0.01238 0.00013 0.00270 -0.00363 -0.00977 175 2S 0.36754 0.44041 0.25137 0.02839 0.22971 176 2PX 0.15573 -0.05039 0.12735 0.26405 -0.12976 177 2PY 0.18742 0.23998 0.31020 0.03640 -0.10684 178 2PZ -0.10096 0.00417 0.09824 -0.02992 -0.12984 179 3S -1.63368 -0.88546 -0.87397 -0.44835 -0.04418 180 3PX -0.67299 0.05143 -0.45190 -0.77772 -0.07150 181 3PY -0.63369 -0.40753 -0.54620 -0.21304 -0.23165 182 3PZ 0.71439 0.09569 -0.14986 0.41767 0.45129 183 4XX 0.02216 0.03430 0.01950 0.00190 -0.03353 184 4YY 0.03249 -0.03976 -0.06014 -0.02106 0.08996 185 4ZZ -0.01306 0.06002 0.07198 0.01725 -0.03762 186 4XY 0.00643 0.03677 -0.02682 0.01198 -0.01093 187 4XZ -0.01057 -0.02342 0.00606 0.01951 -0.00592 188 4YZ -0.00406 -0.01700 -0.04024 -0.00654 0.01535 189 17 H 1S 0.02980 -0.20145 -0.25814 0.03121 0.15554 190 2S -0.54780 0.66568 0.82538 -0.16428 -0.18248 191 18 H 1S -0.06342 -0.12207 0.02526 0.06588 -0.04865 192 2S -0.34100 0.70098 -0.16735 0.00412 -0.35310 193 19 H 1S 0.06344 -0.12205 0.02526 -0.06587 -0.04865 194 2S 0.34084 0.70104 -0.16734 -0.00413 -0.35312 195 20 H 1S -0.02974 -0.20146 -0.25812 -0.03124 0.15552 196 2S 0.54764 0.66580 0.82539 0.16436 -0.18254 197 21 C 1S 0.00000 0.00721 -0.00673 0.00000 0.03965 198 2S -0.00004 0.40286 0.01635 -0.00001 0.02266 199 2PX 0.00000 -0.08666 0.15986 0.00000 0.11778 200 2PY 0.07732 0.00001 -0.00001 0.01373 0.00001 201 2PZ -0.00001 0.09078 0.14460 0.00000 -0.24225 202 3S 0.00008 -0.98481 -0.29726 0.00001 -0.33880 203 3PX 0.00000 0.00162 0.24883 0.00003 -0.52221 204 3PY -0.47973 -0.00007 0.00004 -0.43745 -0.00002 205 3PZ 0.00002 -0.25518 -0.10932 0.00000 0.63767 206 4XX 0.00000 -0.00423 0.07520 0.00000 0.04689 207 4YY -0.00001 0.06971 0.03937 0.00000 -0.07300 208 4ZZ 0.00000 -0.00516 -0.11601 -0.00001 0.05378 209 4XY -0.05250 -0.00001 0.00000 -0.02296 0.00000 210 4XZ 0.00000 0.04261 -0.03205 0.00000 -0.07115 211 4YZ -0.00403 0.00000 0.00000 0.01128 0.00000 212 22 H 1S 0.00000 -0.06663 0.25489 0.00001 0.47198 213 2S -0.00002 0.35547 -0.13496 0.00000 -0.99463 214 23 H 1S 0.00001 0.06327 -0.37275 -0.00001 0.26986 215 2S -0.00004 0.26892 0.48079 0.00001 -0.23474 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 -0.00300 0.00996 -0.02252 0.01022 -0.01709 2 2S -0.14003 -0.13382 -0.54732 0.03821 -0.60382 3 2PX -0.02475 -0.11378 -0.00431 -0.02425 -0.07407 4 2PY -0.00921 0.22542 -0.16746 0.10063 0.04584 5 2PZ -0.07978 0.04928 -0.06034 0.01945 0.10995 6 3S -0.13966 -0.42688 1.83710 -0.80899 0.80120 7 3PX -0.13519 -0.00649 0.10387 -0.38333 0.24561 8 3PY -0.08685 -0.48053 0.96921 -0.54985 0.67660 9 3PZ 0.26502 -0.05436 0.11046 0.70132 -0.47556 10 4XX -0.03556 -0.00835 -0.08460 -0.03712 -0.03365 11 4YY -0.00450 0.00854 -0.04067 0.00694 -0.03351 12 4ZZ 0.01943 -0.02101 0.04765 0.02823 -0.04085 13 4XY -0.02858 -0.03328 0.03617 -0.00703 -0.00335 14 4XZ -0.00383 0.03531 0.01050 0.00258 0.08305 15 4YZ 0.02035 0.02626 -0.02078 0.01524 0.01312 16 2 H 1S 0.01860 0.02683 -0.15162 -0.04398 -0.15035 17 2S -0.17813 0.19997 -0.49251 -0.02690 -0.01782 18 3 C 1S -0.00299 -0.00996 -0.02252 -0.01023 0.01709 19 2S -0.14000 0.13380 -0.54734 -0.03840 0.60364 20 2PX -0.02475 0.11380 -0.00431 0.02424 0.07404 21 2PY 0.00920 0.22544 0.16741 0.10067 0.04587 22 2PZ -0.07978 -0.04929 -0.06034 -0.01947 -0.10997 23 3S -0.13983 0.42700 1.83691 0.80952 -0.80087 24 3PX -0.13528 0.00646 0.10364 0.38334 -0.24559 25 3PY 0.08695 -0.48063 -0.96891 -0.55013 0.67646 26 3PZ 0.26511 0.05438 0.11070 -0.70127 0.47557 27 4XX -0.03556 0.00834 -0.08461 0.03709 0.03366 28 4YY -0.00450 -0.00853 -0.04066 -0.00695 0.03350 29 4ZZ 0.01943 0.02101 0.04765 -0.02822 0.04084 30 4XY 0.02858 -0.03328 -0.03617 -0.00705 -0.00337 31 4XZ -0.00383 -0.03531 0.01051 -0.00257 -0.08303 32 4YZ -0.02036 0.02626 0.02078 0.01524 0.01309 33 4 H 1S 0.01859 -0.02685 -0.15164 0.04393 0.15030 34 2S -0.17813 -0.20001 -0.49252 0.02675 0.01773 35 5 C 1S -0.01843 0.00443 0.02443 -0.00404 -0.00374 36 2S -0.38428 0.36216 0.47264 -0.00619 0.08753 37 2PX 0.01169 0.00811 0.01415 -0.22417 0.02379 38 2PY -0.04840 0.26727 -0.01632 0.10678 0.10426 39 2PZ -0.04648 0.10642 0.10437 -0.10377 0.03737 40 3S 1.03673 -0.31398 -1.83387 -0.12259 -0.04107 41 3PX -0.07782 0.41815 0.30942 1.53455 -0.56537 42 3PY 0.33736 -0.64541 0.61893 -0.66439 -0.65165 43 3PZ 0.13408 -0.65555 -0.56898 -0.12267 0.12766 44 4XX 0.01401 0.06728 0.01811 0.00525 0.04497 45 4YY -0.03072 -0.02377 0.06954 -0.03164 -0.02270 46 4ZZ -0.03752 0.01528 -0.04023 0.01715 -0.01031 47 4XY 0.00937 0.01893 0.00546 0.01152 -0.09037 48 4XZ 0.01590 -0.08715 -0.01085 -0.01802 -0.02175 49 4YZ -0.02551 -0.02632 -0.00345 -0.02677 0.04483 50 6 C 1S -0.00799 -0.00602 -0.00220 -0.00237 -0.01137 51 2S -0.15282 0.38410 -0.20121 -0.01928 -0.02939 52 2PX -0.17563 -0.13007 -0.02323 -0.09036 -0.08222 53 2PY -0.05941 0.05049 0.15596 -0.01128 0.14578 54 2PZ -0.01066 0.09341 -0.01079 0.13019 -0.01408 55 3S -0.04204 -0.12705 0.49166 0.75667 0.64072 56 3PX 0.48760 0.87782 0.16690 0.39369 -0.39161 57 3PY 0.15396 0.72569 -0.51226 1.37464 -0.12007 58 3PZ -0.05526 -0.37991 -0.08949 -0.66141 0.56179 59 4XX -0.00233 0.05477 0.01088 -0.02882 -0.01992 60 4YY -0.02312 0.02972 0.00025 0.01714 -0.00430 61 4ZZ -0.00100 -0.03463 -0.03740 0.01787 0.01977 62 4XY -0.04422 0.04133 -0.00387 0.01194 0.00289 63 4XZ -0.02446 -0.03377 0.01207 -0.02428 -0.00568 64 4YZ -0.06578 -0.02305 -0.04739 0.01726 -0.01026 65 7 H 1S -0.10681 -0.16717 -0.12684 0.13757 0.12235 66 2S 0.00573 0.05930 -0.20217 -0.31793 0.12444 67 8 C 1S -0.00799 0.00602 -0.00220 0.00237 0.01137 68 2S -0.15281 -0.38414 -0.20119 0.01922 0.02942 69 2PX -0.17564 0.13006 -0.02328 0.09036 0.08230 70 2PY 0.05941 0.05047 -0.15596 -0.01133 0.14576 71 2PZ -0.01066 -0.09342 -0.01076 -0.13018 0.01411 72 3S -0.04199 0.12712 0.49184 -0.75652 -0.64058 73 3PX 0.48766 -0.87779 0.16713 -0.39361 0.39150 74 3PY -0.15419 0.72576 0.51179 1.37480 -0.11992 75 3PZ -0.05523 0.37990 -0.08965 0.66135 -0.56191 76 4XX -0.00233 -0.05476 0.01087 0.02882 0.01992 77 4YY -0.02312 -0.02973 0.00025 -0.01714 0.00431 78 4ZZ -0.00099 0.03463 -0.03740 -0.01788 -0.01977 79 4XY 0.04422 0.04133 0.00386 0.01194 0.00289 80 4XZ -0.02447 0.03377 0.01206 0.02428 0.00567 81 4YZ 0.06578 -0.02305 0.04739 0.01728 -0.01027 82 9 H 1S -0.10677 0.16717 -0.12680 -0.13762 -0.12237 83 2S 0.00574 -0.05933 -0.20225 0.31786 -0.12455 84 10 C 1S -0.01843 -0.00442 0.02443 0.00404 0.00374 85 2S -0.38429 -0.36210 0.47266 0.00627 -0.08751 86 2PX 0.01167 -0.00809 0.01409 0.22416 -0.02382 87 2PY 0.04839 0.26727 0.01628 0.10679 0.10428 88 2PZ -0.04648 -0.10641 0.10436 0.10378 -0.03743 89 3S 1.03669 0.31380 -1.83398 0.12213 0.04077 90 3PX -0.07764 -0.41816 0.30991 -1.53444 0.56547 91 3PY -0.33727 -0.64548 -0.61871 -0.66456 -0.65184 92 3PZ 0.13398 0.65551 -0.56917 0.12260 -0.12742 93 4XX 0.01401 -0.06727 0.01812 -0.00525 -0.04500 94 4YY -0.03073 0.02378 0.06953 0.03166 0.02271 95 4ZZ -0.03752 -0.01528 -0.04022 -0.01716 0.01032 96 4XY -0.00937 0.01894 -0.00546 0.01151 -0.09037 97 4XZ 0.01590 0.08714 -0.01086 0.01802 0.02175 98 4YZ 0.02551 -0.02632 0.00346 -0.02677 0.04484 99 11 O 1S -0.00229 -0.00020 -0.01670 0.00352 0.00564 100 2S -0.05949 -0.09700 -0.16176 -0.03426 -0.02567 101 2PX 0.04911 -0.23871 -0.10155 0.16490 0.39009 102 2PY -0.07036 -0.18732 0.22955 -0.18121 -0.21285 103 2PZ 0.06887 -0.07060 -0.17648 0.51867 -0.21959 104 3S 0.09656 -0.02220 1.00325 -0.17842 -0.29443 105 3PX -0.01667 0.27543 0.11944 -0.43463 -0.49633 106 3PY 0.11690 0.32628 -0.14376 0.27406 0.25700 107 3PZ -0.12428 0.15720 0.32679 -0.69992 0.30738 108 4XX -0.00109 -0.00230 -0.06504 0.00443 0.02767 109 4YY -0.02711 -0.04302 -0.03758 -0.01831 -0.01702 110 4ZZ -0.00693 -0.00227 -0.10883 0.02157 0.01041 111 4XY -0.01032 -0.02670 -0.00122 -0.00786 0.05159 112 4XZ 0.01024 -0.01208 -0.06496 0.00939 0.02228 113 4YZ 0.00796 0.01247 0.01159 0.02903 -0.03548 114 12 O 1S -0.00229 0.00020 -0.01670 -0.00352 -0.00565 115 2S -0.05949 0.09698 -0.16177 0.03420 0.02563 116 2PX 0.04910 0.23871 -0.10154 -0.16490 -0.39002 117 2PY 0.07038 -0.18735 -0.22949 -0.18125 -0.21283 118 2PZ 0.06892 0.07059 -0.17636 -0.51866 0.21981 119 3S 0.09653 0.02231 1.00320 0.17874 0.29466 120 3PX -0.01669 -0.27542 0.11935 0.43463 0.49624 121 3PY -0.11693 0.32631 0.14366 0.27406 0.25693 122 3PZ -0.12433 -0.15718 0.32665 0.69991 -0.30770 123 4XX -0.00108 0.00229 -0.06504 -0.00445 -0.02769 124 4YY -0.02711 0.04302 -0.03758 0.01830 0.01701 125 4ZZ -0.00692 0.00225 -0.10883 -0.02160 -0.01042 126 4XY 0.01033 -0.02670 0.00122 -0.00786 0.05159 127 4XZ 0.01024 0.01207 -0.06496 -0.00941 -0.02229 128 4YZ -0.00796 0.01246 -0.01160 0.02903 -0.03550 129 13 C 1S -0.00081 0.01691 0.00582 -0.00537 0.00336 130 2S -0.24648 0.51358 -0.13890 0.08892 -0.02204 131 2PX -0.18389 0.08200 0.17710 -0.08059 0.03966 132 2PY 0.04824 -0.02383 0.10373 -0.05617 0.00739 133 2PZ 0.05407 -0.05800 -0.07308 0.04944 0.06233 134 3S 1.11036 -2.22270 0.15754 0.34318 0.09269 135 3PX 1.01133 -0.76943 -0.40450 0.55024 0.05165 136 3PY -0.70322 -0.12372 -0.07360 0.35370 -0.22785 137 3PZ -0.59371 0.40839 0.53462 -0.47605 -0.16031 138 4XX 0.01637 -0.06143 -0.02803 0.02142 0.03136 139 4YY -0.06932 0.06961 -0.00361 0.00182 -0.02749 140 4ZZ 0.03358 0.04304 0.01866 -0.00835 -0.00024 141 4XY 0.01058 0.01132 0.00903 -0.01382 0.01054 142 4XZ -0.00180 -0.00049 0.01359 -0.01935 -0.00706 143 4YZ 0.00837 -0.03855 -0.03197 0.00957 0.01615 144 14 C 1S 0.02045 0.00592 -0.00504 0.00215 0.00272 145 2S 0.65598 -0.13868 -0.09244 0.02868 0.16261 146 2PX -0.12895 0.08141 -0.05273 0.01292 -0.04546 147 2PY -0.20495 0.08056 0.06680 -0.03233 0.00878 148 2PZ -0.05172 -0.13974 0.01364 0.06468 0.00673 149 3S -2.30229 0.78989 0.66027 -0.67589 -0.31572 150 3PX 0.26609 -0.85953 -0.08093 0.54169 0.15260 151 3PY 1.14025 -0.75196 -0.22374 0.06191 0.14131 152 3PZ 0.05980 1.03630 0.11700 -0.57935 -0.05090 153 4XX 0.04153 0.04965 0.04098 -0.00731 -0.00039 154 4YY 0.05223 -0.01394 -0.01030 0.00529 0.00518 155 4ZZ -0.00661 -0.03451 -0.04106 -0.00164 0.01400 156 4XY -0.04409 -0.01482 -0.00368 0.01203 0.00214 157 4XZ -0.03016 -0.02005 0.00245 0.02144 -0.01557 158 4YZ 0.04913 0.00606 -0.02986 -0.01008 -0.00105 159 15 C 1S 0.02045 -0.00592 -0.00504 -0.00215 -0.00273 160 2S 0.65601 0.13872 -0.09244 -0.02870 -0.16287 161 2PX -0.12895 -0.08142 -0.05273 -0.01294 0.04549 162 2PY 0.20496 0.08056 -0.06679 -0.03234 0.00875 163 2PZ -0.05170 0.13974 0.01364 -0.06468 -0.00673 164 3S -2.30242 -0.78996 0.66021 0.67600 0.31647 165 3PX 0.26617 0.85954 -0.08088 -0.54172 -0.15278 166 3PY -1.14028 -0.75200 0.22377 0.06190 0.14152 167 3PZ 0.05970 -1.03629 0.11696 0.57941 0.05099 168 4XX 0.04153 -0.04965 0.04098 0.00733 0.00038 169 4YY 0.05224 0.01394 -0.01030 -0.00530 -0.00521 170 4ZZ -0.00661 0.03451 -0.04106 0.00163 -0.01399 171 4XY 0.04409 -0.01482 0.00368 0.01203 0.00212 172 4XZ -0.03016 0.02005 0.00245 -0.02144 0.01558 173 4YZ -0.04913 0.00606 0.02986 -0.01008 -0.00105 174 16 C 1S -0.00081 -0.01690 0.00582 0.00537 -0.00336 175 2S -0.24645 -0.51362 -0.13883 -0.08894 0.02228 176 2PX -0.18390 -0.08198 0.17709 0.08062 -0.03965 177 2PY -0.04823 -0.02383 -0.10371 -0.05619 0.00747 178 2PZ 0.05408 0.05800 -0.07307 -0.04945 -0.06234 179 3S 1.11039 2.22274 0.15741 -0.34319 -0.09345 180 3PX 1.01141 0.76942 -0.40443 -0.55031 -0.05185 181 3PY 0.70323 -0.12368 0.07356 0.35378 -0.22807 182 3PZ -0.59378 -0.40842 0.53455 0.47614 0.16044 183 4XX 0.01638 0.06143 -0.02803 -0.02143 -0.03136 184 4YY -0.06932 -0.06961 -0.00360 -0.00183 0.02751 185 4ZZ 0.03358 -0.04303 0.01866 0.00837 0.00024 186 4XY -0.01058 0.01132 -0.00902 -0.01383 0.01052 187 4XZ -0.00181 0.00049 0.01359 0.01935 0.00706 188 4YZ -0.00837 -0.03855 0.03197 0.00957 0.01614 189 17 H 1S -0.26306 0.16842 0.07895 -0.03514 -0.15052 190 2S -0.18975 -0.01109 -0.28834 0.31935 0.02966 191 18 H 1S 0.27923 0.05808 0.00089 -0.11551 0.03387 192 2S 0.51148 0.13847 -0.09558 -0.13316 0.02452 193 19 H 1S 0.27922 -0.05807 0.00087 0.11553 -0.03390 194 2S 0.51147 -0.13845 -0.09560 0.13316 -0.02462 195 20 H 1S -0.26308 -0.16843 0.07895 0.03513 0.15048 196 2S -0.18973 0.01108 -0.28827 -0.31941 -0.02935 197 21 C 1S -0.01195 0.00000 0.02227 0.00000 0.00000 198 2S -0.58152 -0.00001 -0.15363 -0.00007 -0.00007 199 2PX 0.20215 0.00001 0.39671 0.00006 0.00002 200 2PY 0.00000 0.10298 -0.00001 0.02929 0.00708 201 2PZ -0.42054 0.00001 -0.12186 -0.00005 -0.00005 202 3S 2.60841 0.00002 -0.07230 0.00019 0.00021 203 3PX -0.69945 -0.00001 -0.91492 -0.00015 -0.00011 204 3PY 0.00003 -0.39472 0.00005 -0.29711 -0.12842 205 3PZ 0.49354 -0.00003 0.15685 0.00007 0.00013 206 4XX 0.02192 0.00000 0.08104 0.00001 0.00001 207 4YY -0.01671 0.00000 -0.04288 -0.00001 -0.00001 208 4ZZ -0.07108 0.00000 -0.03236 -0.00001 -0.00001 209 4XY 0.00000 -0.02120 0.00000 0.00096 0.00610 210 4XZ 0.01905 0.00000 0.00991 0.00000 -0.00002 211 4YZ 0.00000 -0.01558 0.00000 0.02235 -0.00300 212 22 H 1S 0.28397 0.00000 0.43370 0.00008 0.00008 213 2S -1.35074 0.00001 -1.14653 -0.00027 -0.00031 214 23 H 1S 0.13577 -0.00001 0.18093 0.00003 0.00004 215 2S -0.59572 0.00002 0.13243 -0.00003 -0.00006 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 0.01187 0.00117 -0.00938 0.00192 -0.01580 2 2S 0.31861 -0.18877 -0.28606 0.02519 -0.11300 3 2PX 0.05706 0.08523 -0.08039 -0.05239 0.13477 4 2PY 0.07355 0.09664 0.08458 0.01423 -0.09791 5 2PZ 0.03384 -0.04463 0.02546 0.05100 -0.11649 6 3S -0.53283 0.14921 1.41378 0.07606 2.18233 7 3PX 0.05439 -1.94710 0.45287 0.65440 0.06797 8 3PY -0.29594 -1.36211 0.26198 0.12735 1.23844 9 3PZ -0.05555 1.24253 -0.35339 -0.67991 -0.01242 10 4XX -0.01508 -0.00834 0.04078 0.03389 -0.00985 11 4YY 0.02353 0.01001 -0.05250 -0.00102 0.01551 12 4ZZ 0.02900 -0.03618 0.00501 -0.02635 -0.01907 13 4XY -0.03199 0.03629 0.02163 -0.01932 0.06827 14 4XZ -0.03681 0.03634 -0.02135 0.00150 0.01331 15 4YZ -0.04454 -0.01949 -0.02208 0.01892 -0.04138 16 2 H 1S 0.09722 -0.33568 0.04821 0.17936 -0.22396 17 2S 0.18796 -0.49652 -0.00389 0.28489 -0.40013 18 3 C 1S 0.01187 -0.00117 -0.00938 -0.00192 -0.01580 19 2S 0.31892 0.18875 -0.28607 -0.02521 -0.11301 20 2PX 0.05709 -0.08523 -0.08039 0.05241 0.13476 21 2PY -0.07352 0.09665 -0.08457 0.01424 0.09791 22 2PZ 0.03379 0.04463 0.02546 -0.05103 -0.11648 23 3S -0.53321 -0.14919 1.41380 -0.07570 2.18239 24 3PX 0.05436 1.94706 0.45289 -0.65437 0.06802 25 3PY 0.29618 -1.36218 -0.26201 0.12718 -1.23846 26 3PZ -0.05543 -1.24251 -0.35340 0.67990 -0.01249 27 4XX -0.01506 0.00834 0.04077 -0.03389 -0.00985 28 4YY 0.02354 -0.01001 -0.05250 0.00102 0.01551 29 4ZZ 0.02902 0.03618 0.00501 0.02635 -0.01907 30 4XY 0.03199 0.03629 -0.02163 -0.01932 -0.06827 31 4XZ -0.03685 -0.03634 -0.02135 -0.00150 0.01332 32 4YZ 0.04455 -0.01949 0.02208 0.01893 0.04138 33 4 H 1S 0.09731 0.33568 0.04821 -0.17939 -0.22394 34 2S 0.18800 0.49651 -0.00389 -0.28495 -0.40010 35 5 C 1S -0.00002 -0.01050 0.00035 0.00878 0.00189 36 2S -0.03593 -0.36376 0.02468 0.28792 0.03103 37 2PX 0.05356 -0.13064 -0.25312 0.08030 -0.16097 38 2PY 0.04652 -0.13048 0.00381 0.05971 0.00279 39 2PZ 0.12520 0.12646 0.12557 0.04735 0.20529 40 3S 0.63319 -0.16610 -0.35398 -0.74915 -0.14176 41 3PX -0.12283 1.52405 1.64440 -0.84493 1.96124 42 3PY -0.40263 -0.84733 -0.11511 0.16373 -0.12550 43 3PZ -0.56349 -1.68643 -0.99909 0.33690 -1.70979 44 4XX 0.04796 0.03498 -0.00665 0.05050 -0.01089 45 4YY -0.01084 -0.05596 -0.00008 0.01808 -0.01354 46 4ZZ -0.02316 -0.03947 0.00352 -0.04374 0.02080 47 4XY -0.01614 0.02979 -0.07823 0.00238 0.01170 48 4XZ 0.00803 0.08646 -0.00291 -0.02249 -0.03083 49 4YZ 0.02964 0.01465 0.05148 0.01070 0.05483 50 6 C 1S 0.00527 -0.00746 -0.00129 -0.00283 0.00291 51 2S -0.01210 0.03507 0.05160 0.12433 0.01439 52 2PX -0.14319 -0.11203 -0.06542 0.16245 0.12793 53 2PY -0.04807 -0.09648 0.05236 0.14398 -0.20188 54 2PZ -0.06328 -0.05490 0.04358 0.06158 -0.09635 55 3S -0.40245 0.85039 -0.92561 -0.18194 -1.85088 56 3PX 0.21234 0.55741 0.37935 -0.69577 0.20559 57 3PY 0.39260 2.54059 0.25494 -1.08141 1.37085 58 3PZ 0.22442 0.77030 -0.22421 0.20098 0.18525 59 4XX -0.00575 -0.08731 -0.02610 -0.03668 -0.07207 60 4YY -0.01367 0.03090 0.04041 -0.00292 -0.03853 61 4ZZ 0.01656 0.06152 -0.02434 0.04190 0.09948 62 4XY -0.00340 -0.03219 -0.03104 0.00935 0.06011 63 4XZ 0.01975 -0.04621 0.01141 -0.05102 -0.05217 64 4YZ -0.01736 0.02530 0.00924 0.00526 0.14348 65 7 H 1S 0.05165 0.38642 -0.05299 0.14204 0.23728 66 2S 0.21766 0.38476 -0.02377 -0.22617 0.24143 67 8 C 1S 0.00527 0.00746 -0.00129 0.00283 0.00291 68 2S -0.01207 -0.03509 0.05159 -0.12433 0.01443 69 2PX -0.14314 0.11201 -0.06543 -0.16243 0.12795 70 2PY 0.04814 -0.09649 -0.05236 0.14403 0.20184 71 2PZ -0.06328 0.05490 0.04358 -0.06161 -0.09633 72 3S -0.40283 -0.85030 -0.92563 0.18163 -1.85102 73 3PX 0.21248 -0.55733 0.37934 0.69577 0.20550 74 3PY -0.39254 2.54064 -0.25490 -1.08170 -1.37069 75 3PZ 0.22421 -0.77030 -0.22423 -0.20091 0.18523 76 4XX -0.00574 0.08731 -0.02609 0.03666 -0.07208 77 4YY -0.01367 -0.03091 0.04041 0.00291 -0.03853 78 4ZZ 0.01655 -0.06151 -0.02434 -0.04188 0.09949 79 4XY 0.00340 -0.03220 0.03104 0.00934 -0.06011 80 4XZ 0.01975 0.04621 0.01142 0.05101 -0.05218 81 4YZ 0.01736 0.02530 -0.00924 0.00524 -0.14348 82 9 H 1S 0.05157 -0.38643 -0.05300 -0.14199 0.23730 83 2S 0.21765 -0.38478 -0.02378 0.22624 0.24138 84 10 C 1S -0.00002 0.01050 0.00035 -0.00878 0.00189 85 2S -0.03595 0.36378 0.02468 -0.28790 0.03103 86 2PX 0.05357 0.13064 -0.25312 -0.08032 -0.16097 87 2PY -0.04647 -0.13048 -0.00381 0.05971 -0.00280 88 2PZ 0.12520 -0.12646 0.12556 -0.04732 0.20529 89 3S 0.63323 0.16603 -0.35397 0.74914 -0.14174 90 3PX -0.12273 -1.52412 1.64439 0.84523 1.96118 91 3PY 0.40227 -0.84732 0.11503 0.16380 0.12539 92 3PZ -0.56354 1.68646 -0.99906 -0.33718 -1.70976 93 4XX 0.04795 -0.03498 -0.00665 -0.05050 -0.01089 94 4YY -0.01082 0.05596 -0.00009 -0.01808 -0.01353 95 4ZZ -0.02316 0.03946 0.00352 0.04374 0.02080 96 4XY 0.01609 0.02979 0.07823 0.00238 -0.01170 97 4XZ 0.00804 -0.08646 -0.00291 0.02249 -0.03083 98 4YZ -0.02962 0.01465 -0.05148 0.01069 -0.05483 99 11 O 1S 0.00792 0.01491 -0.00180 -0.00681 -0.00031 100 2S 0.08031 0.06037 -0.05469 -0.07359 -0.03293 101 2PX -0.14458 -0.26490 0.48045 -0.05250 -0.06226 102 2PY 0.02269 -0.11825 -0.07643 0.02690 -0.01612 103 2PZ -0.44158 -0.07597 -0.23110 -0.01934 -0.09715 104 3S -0.51439 -0.62446 0.15241 0.37155 0.05104 105 3PX 0.18381 0.18748 -0.97652 0.19652 -0.21499 106 3PY -0.13235 0.03268 0.15679 0.03251 0.04207 107 3PZ 0.67883 0.32409 0.51537 0.00870 0.43250 108 4XX 0.03820 0.04185 0.00283 -0.01821 -0.00475 109 4YY 0.01724 0.03781 -0.01833 -0.01731 -0.00588 110 4ZZ 0.02724 0.04125 -0.02167 -0.04766 -0.00912 111 4XY 0.00077 -0.04503 0.07099 -0.00340 -0.00102 112 4XZ 0.02056 0.04139 -0.00391 -0.02639 -0.01418 113 4YZ -0.03663 -0.01526 -0.04187 0.00355 -0.02986 114 12 O 1S 0.00791 -0.01491 -0.00180 0.00681 -0.00031 115 2S 0.08033 -0.06037 -0.05469 0.07360 -0.03294 116 2PX -0.14480 0.26488 0.48047 0.05248 -0.06226 117 2PY -0.02281 -0.11827 0.07642 0.02691 0.01613 118 2PZ -0.44153 0.07597 -0.23109 0.01933 -0.09716 119 3S -0.51424 0.62449 0.15243 -0.37159 0.05109 120 3PX 0.18413 -0.18745 -0.97655 -0.19653 -0.21498 121 3PY 0.13250 0.03269 -0.15677 0.03251 -0.04208 122 3PZ 0.67876 -0.32410 0.51536 -0.00864 0.43252 123 4XX 0.03819 -0.04185 0.00283 0.01821 -0.00475 124 4YY 0.01724 -0.03781 -0.01832 0.01731 -0.00589 125 4ZZ 0.02723 -0.04125 -0.02167 0.04766 -0.00913 126 4XY -0.00074 -0.04503 -0.07099 -0.00340 0.00102 127 4XZ 0.02055 -0.04139 -0.00390 0.02639 -0.01418 128 4YZ 0.03662 -0.01526 0.04187 0.00355 0.02987 129 13 C 1S -0.00460 0.01313 0.00234 -0.00365 0.01784 130 2S -0.44547 0.16938 0.18740 0.18493 0.42706 131 2PX -0.03090 -0.13506 -0.01403 0.17815 -0.06633 132 2PY 0.16335 0.08589 -0.07051 0.23430 0.08465 133 2PZ 0.01046 0.02698 -0.00135 -0.16898 -0.05077 134 3S 1.47742 0.38345 -0.23872 0.98399 -1.98106 135 3PX 0.38148 0.80881 0.00816 -0.30606 0.06270 136 3PY -0.46477 -0.67754 0.38947 -0.65689 -1.45540 137 3PZ -0.20069 -0.43421 0.12050 0.54769 -0.44699 138 4XX -0.00895 0.03868 0.02800 0.03424 0.03753 139 4YY -0.02011 0.02966 0.00336 -0.01753 -0.00052 140 4ZZ -0.01745 -0.04172 0.00057 -0.00089 -0.02340 141 4XY -0.04226 -0.03055 0.00670 -0.06925 0.03700 142 4XZ -0.01759 -0.05823 0.00696 -0.10665 -0.03555 143 4YZ -0.03154 -0.00916 0.01857 0.01198 0.06734 144 14 C 1S 0.01831 0.01635 -0.00048 -0.00702 -0.00416 145 2S 0.45539 0.49625 -0.00689 -0.28477 -0.26515 146 2PX -0.05671 -0.04798 0.01404 -0.07108 -0.01969 147 2PY -0.04113 0.00117 0.01186 -0.01787 -0.05268 148 2PZ 0.00338 0.09597 -0.02639 0.16027 -0.00467 149 3S -1.32976 -1.66628 0.07150 1.16406 0.55313 150 3PX 0.31578 0.65202 -0.02823 1.27743 -0.41538 151 3PY 0.36910 0.11000 -0.09076 -0.17282 0.44382 152 3PZ -0.17132 -0.67728 0.05803 -1.55096 0.34018 153 4XX 0.02111 0.01909 0.00445 -0.00390 -0.06282 154 4YY 0.05641 0.01951 -0.00326 -0.00757 -0.03758 155 4ZZ -0.02012 0.02077 -0.00485 -0.03371 0.08008 156 4XY -0.02959 0.00361 -0.01479 0.08071 0.05385 157 4XZ -0.01629 -0.02171 0.01093 0.00984 -0.03999 158 4YZ 0.00089 -0.00780 -0.03662 -0.06888 0.07664 159 15 C 1S 0.01831 -0.01635 -0.00048 0.00702 -0.00416 160 2S 0.45531 -0.49623 -0.00690 0.28475 -0.26516 161 2PX -0.05669 0.04797 0.01404 0.07107 -0.01970 162 2PY 0.04112 0.00118 -0.01186 -0.01786 0.05268 163 2PZ 0.00337 -0.09597 -0.02640 -0.16027 -0.00464 164 3S -1.32947 1.66620 0.07151 -1.16406 0.55304 165 3PX 0.31561 -0.65202 -0.02827 -1.27745 -0.41506 166 3PY -0.36905 0.10994 0.09078 -0.17289 -0.44365 167 3PZ -0.17121 0.67730 0.05808 1.55098 0.33982 168 4XX 0.02111 -0.01908 0.00445 0.00389 -0.06282 169 4YY 0.05641 -0.01951 -0.00326 0.00757 -0.03758 170 4ZZ -0.02013 -0.02077 -0.00485 0.03373 0.08008 171 4XY 0.02959 0.00360 0.01479 0.08070 -0.05386 172 4XZ -0.01628 0.02171 0.01093 -0.00985 -0.03998 173 4YZ -0.00089 -0.00781 0.03662 -0.06889 -0.07663 174 16 C 1S -0.00460 -0.01312 0.00233 0.00365 0.01784 175 2S -0.44547 -0.16939 0.18740 -0.18490 0.42711 176 2PX -0.03091 0.13506 -0.01403 -0.17816 -0.06631 177 2PY -0.16336 0.08588 0.07053 0.23429 -0.08469 178 2PZ 0.01042 -0.02698 -0.00134 0.16897 -0.05081 179 3S 1.47732 -0.38350 -0.23877 -0.98419 -1.98083 180 3PX 0.38136 -0.80878 0.00816 0.30610 0.06272 181 3PY 0.46479 -0.67744 -0.38957 -0.65667 1.45538 182 3PZ -0.20053 0.43417 0.12049 -0.54778 -0.44692 183 4XX -0.00897 -0.03869 0.02800 -0.03423 0.03754 184 4YY -0.02009 -0.02966 0.00336 0.01752 -0.00051 185 4ZZ -0.01745 0.04173 0.00057 0.00088 -0.02341 186 4XY 0.04226 -0.03056 -0.00670 -0.06926 -0.03698 187 4XZ -0.01759 0.05823 0.00696 0.10665 -0.03557 188 4YZ 0.03155 -0.00916 -0.01857 0.01197 -0.06733 189 17 H 1S 0.09511 -0.10802 -0.07316 -0.23474 -0.10359 190 2S -0.65008 -0.30551 0.35481 -0.41758 -0.28118 191 18 H 1S 0.04847 -0.04737 -0.00421 -0.59090 0.18082 192 2S 0.16542 -0.04275 0.02365 -0.78238 0.08828 193 19 H 1S 0.04847 0.04739 -0.00420 0.59093 0.18070 194 2S 0.16543 0.04277 0.02366 0.78238 0.08812 195 20 H 1S 0.09518 0.10801 -0.07315 0.23472 -0.10361 196 2S -0.65019 0.30550 0.35488 0.41752 -0.28121 197 21 C 1S -0.00570 0.00000 0.01514 -0.00001 -0.05524 198 2S 0.28616 -0.00004 0.24846 -0.00009 -0.98340 199 2PX -0.07682 0.00001 -0.01345 0.00000 0.07350 200 2PY 0.00000 0.00751 0.00000 0.01800 -0.00001 201 2PZ 0.20430 -0.00001 -0.07803 -0.00001 -0.14073 202 3S -0.80450 0.00017 -0.70316 0.00038 4.47889 203 3PX 0.39824 0.00000 -0.20715 0.00004 0.27172 204 3PY -0.00005 -0.56217 0.00000 0.55094 -0.00003 205 3PZ -0.48605 -0.00001 0.28440 -0.00002 -0.47774 206 4XX -0.05909 0.00000 0.01785 -0.00001 -0.08474 207 4YY 0.04999 0.00000 -0.00168 0.00000 0.02879 208 4ZZ 0.03529 -0.00001 0.01921 0.00000 -0.04478 209 4XY 0.00000 0.02955 0.00000 0.08802 -0.00001 210 4XZ 0.07762 0.00000 -0.01581 0.00000 -0.05961 211 4YZ 0.00000 0.04807 0.00000 0.07102 -0.00001 212 22 H 1S -0.32531 0.00000 0.09597 -0.00001 -0.18900 213 2S 1.15557 -0.00004 -0.21393 -0.00004 -0.48530 214 23 H 1S -0.13185 0.00000 0.10735 -0.00003 -0.22995 215 2S 0.22604 -0.00002 0.00531 -0.00005 -0.40105 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 0.01895 0.01417 -0.01097 0.02988 -0.00150 2 2S 0.28161 0.28252 -0.08365 0.76910 -0.23782 3 2PX -0.09059 0.02856 0.03175 -0.01590 -0.08256 4 2PY 0.02273 -0.11021 -0.02839 -0.12477 0.18340 5 2PZ 0.08965 0.04248 -0.02552 0.01214 0.06829 6 3S -1.26397 -1.02270 1.21559 -3.64480 -0.57796 7 3PX 0.25463 -0.53061 0.14042 -0.52717 0.44602 8 3PY -1.76219 0.14739 0.62923 -0.93973 -1.09470 9 3PZ -0.28717 0.36574 -0.12204 0.53132 -0.31720 10 4XX 0.05266 0.08169 0.04677 0.01369 0.08492 11 4YY 0.01059 0.04224 -0.00901 0.00075 -0.03828 12 4ZZ -0.03513 -0.12858 -0.03420 0.04130 -0.05088 13 4XY -0.05766 0.12987 0.10565 -0.04003 -0.00743 14 4XZ -0.02503 0.03884 0.04881 -0.04088 -0.02892 15 4YZ 0.04539 0.16925 0.10257 0.04292 0.04141 16 2 H 1S 0.41948 -0.05984 -0.13072 0.24415 0.27717 17 2S 0.58808 -0.12089 -0.10438 0.34635 0.35810 18 3 C 1S -0.01895 0.01418 -0.01097 -0.02988 -0.00150 19 2S -0.28156 0.28254 -0.08354 -0.76914 -0.23773 20 2PX 0.09059 0.02854 0.03173 0.01590 -0.08256 21 2PY 0.02275 0.11019 0.02839 -0.12478 -0.18339 22 2PZ -0.08963 0.04251 -0.02549 -0.01214 0.06829 23 3S 1.26384 -1.02284 1.21508 3.64499 -0.57838 24 3PX -0.25475 -0.53053 0.14045 0.52720 0.44591 25 3PY -1.76223 -0.14689 -0.62871 -0.93977 1.09490 26 3PZ 0.28722 0.36563 -0.12208 -0.53136 -0.31707 27 4XX -0.05262 0.08170 0.04678 -0.01369 0.08492 28 4YY -0.01058 0.04225 -0.00900 -0.00075 -0.03828 29 4ZZ 0.03509 -0.12860 -0.03420 -0.04129 -0.05088 30 4XY -0.05772 -0.12985 -0.10564 -0.04003 0.00743 31 4XZ 0.02506 0.03883 0.04879 0.04087 -0.02893 32 4YZ 0.04531 -0.16926 -0.10259 0.04292 -0.04141 33 4 H 1S -0.41950 -0.05973 -0.13060 -0.24415 0.27719 34 2S -0.58809 -0.12074 -0.10420 -0.34635 0.35812 35 5 C 1S 0.00918 -0.01385 -0.00477 -0.00148 0.01503 36 2S 0.33012 -0.46480 -0.05187 -0.10120 0.42546 37 2PX -0.15415 0.03265 -0.13460 -0.38692 0.11639 38 2PY 0.11929 -0.10241 -0.01760 0.03042 0.12915 39 2PZ 0.20320 0.02533 0.04203 0.20698 -0.05638 40 3S 0.30934 1.92189 0.42044 -0.21149 -1.94337 41 3PX 2.13629 -0.18738 1.38877 3.02240 -1.36627 42 3PY -0.21401 1.29096 -0.20101 -0.12007 -0.89087 43 3PZ -1.75692 0.09797 -0.92265 -2.14263 0.92816 44 4XX 0.06020 -0.23362 -0.14662 0.01602 -0.04570 45 4YY 0.01577 -0.00359 0.01970 -0.03729 -0.02680 46 4ZZ -0.04570 0.19575 0.13962 0.00599 0.09667 47 4XY 0.00211 0.02790 -0.00958 -0.00934 0.01195 48 4XZ -0.03411 -0.07475 -0.00905 0.02710 -0.10777 49 4YZ -0.02358 0.00511 -0.03033 0.09414 -0.01195 50 6 C 1S 0.00259 0.00905 0.02267 -0.00155 -0.02205 51 2S -0.12616 0.34235 0.04000 0.00076 -0.23587 52 2PX -0.05403 -0.00249 -0.06720 -0.08281 -0.08476 53 2PY -0.13636 0.16022 -0.10883 0.06635 -0.01791 54 2PZ 0.03115 0.06066 -0.14973 -0.09443 0.11737 55 3S 0.90240 -0.69430 -1.67496 -0.98770 2.19793 56 3PX 1.05957 0.56678 0.21269 1.10325 -0.47038 57 3PY 3.02007 -0.48388 1.04255 1.60196 -0.70882 58 3PZ -0.50246 -0.42734 0.10210 0.02776 0.10122 59 4XX -0.01936 0.11316 0.10758 -0.07260 0.01461 60 4YY 0.01022 0.06700 -0.05492 0.00733 0.00567 61 4ZZ 0.00272 -0.17261 -0.00807 0.04657 -0.04603 62 4XY -0.01074 0.04641 0.00563 -0.01907 0.15329 63 4XZ -0.01140 0.05055 0.05262 0.00593 0.02041 64 4YZ -0.03871 0.09364 0.14687 0.03909 0.08352 65 7 H 1S 0.02671 -0.18647 0.20187 0.13586 -0.07965 66 2S 0.22514 -0.09026 0.29157 0.09336 -0.30899 67 8 C 1S -0.00258 0.00905 0.02267 0.00155 -0.02205 68 2S 0.12627 0.34228 0.03996 -0.00080 -0.23585 69 2PX 0.05399 -0.00251 -0.06721 0.08281 -0.08477 70 2PY -0.13639 -0.16017 0.10886 0.06637 0.01792 71 2PZ -0.03115 0.06068 -0.14973 0.09441 0.11737 72 3S -0.90280 -0.69379 -1.67475 0.98773 2.19781 73 3PX -1.05930 0.56704 0.21297 -1.10326 -0.47011 74 3PY 3.02008 0.48293 -1.04344 1.60191 0.70846 75 3PZ 0.50233 -0.42746 0.10196 -0.02771 0.10113 76 4XX 0.01943 0.11316 0.10757 0.07259 0.01460 77 4YY -0.01022 0.06701 -0.05492 -0.00734 0.00568 78 4ZZ -0.00278 -0.17262 -0.00807 -0.04655 -0.04602 79 4XY -0.01077 -0.04641 -0.00564 -0.01908 -0.15329 80 4XZ 0.01142 0.05054 0.05262 -0.00593 0.02041 81 4YZ -0.03877 -0.09363 -0.14686 0.03909 -0.08352 82 9 H 1S -0.02673 -0.18647 0.20189 -0.13584 -0.07965 83 2S -0.22515 -0.09018 0.29162 -0.09334 -0.30897 84 10 C 1S -0.00918 -0.01385 -0.00477 0.00149 0.01503 85 2S -0.33025 -0.46468 -0.05179 0.10125 0.42544 86 2PX 0.15414 0.03263 -0.13467 0.38690 0.11634 87 2PY 0.11931 0.10238 0.01757 0.03040 -0.12915 88 2PZ -0.20319 0.02538 0.04210 -0.20698 -0.05635 89 3S -0.30873 1.92195 0.42050 0.21122 -1.94332 90 3PX -2.13617 -0.18697 1.38951 -3.02231 -1.36577 91 3PY -0.21418 -1.29083 0.20104 -0.11987 0.89093 92 3PZ 1.75685 0.09756 -0.92322 2.14259 0.92783 93 4XX -0.06031 -0.23361 -0.14660 -0.01601 -0.04570 94 4YY -0.01577 -0.00358 0.01970 0.03729 -0.02681 95 4ZZ 0.04580 0.19573 0.13961 -0.00600 0.09667 96 4XY 0.00210 -0.02789 0.00959 -0.00933 -0.01195 97 4XZ 0.03407 -0.07476 -0.00905 -0.02709 -0.10776 98 4YZ -0.02357 -0.00510 0.03033 0.09414 0.01194 99 11 O 1S -0.00097 -0.00472 0.00749 -0.00444 -0.00780 100 2S 0.05431 0.15091 0.05928 -0.07750 -0.28651 101 2PX -0.02721 0.02529 0.01272 0.14178 0.00326 102 2PY 0.04715 0.18952 -0.03184 0.01855 -0.14507 103 2PZ 0.01476 -0.05477 0.04391 -0.14672 -0.04089 104 3S -0.14705 0.03065 -0.31567 0.22452 0.48512 105 3PX -0.22786 0.01740 -0.25401 -0.70348 0.20724 106 3PY -0.07925 -0.28305 -0.04832 0.08958 0.36900 107 3PZ 0.20321 0.08968 0.06041 0.61961 -0.09821 108 4XX 0.01108 -0.03484 -0.01448 0.00904 -0.07527 109 4YY 0.01764 0.03556 0.01744 -0.02557 -0.09258 110 4ZZ -0.01199 0.07319 0.06143 -0.03758 -0.03445 111 4XY -0.00880 0.00405 0.02347 0.04242 -0.00652 112 4XZ 0.00270 -0.02255 0.02378 -0.01596 -0.03625 113 4YZ 0.02051 -0.01935 0.00314 -0.08831 0.01786 114 12 O 1S 0.00097 -0.00472 0.00749 0.00443 -0.00780 115 2S -0.05424 0.15094 0.05929 0.07747 -0.28651 116 2PX 0.02721 0.02527 0.01272 -0.14178 0.00327 117 2PY 0.04710 -0.18953 0.03182 0.01858 0.14507 118 2PZ -0.01477 -0.05475 0.04391 0.14673 -0.04091 119 3S 0.14693 0.03057 -0.31569 -0.22446 0.48511 120 3PX 0.22783 0.01739 -0.25411 0.70346 0.20714 121 3PY -0.07916 0.28308 0.04833 0.08951 -0.36901 122 3PZ -0.20318 0.08969 0.06050 -0.61961 -0.09814 123 4XX -0.01109 -0.03483 -0.01448 -0.00904 -0.07527 124 4YY -0.01762 0.03556 0.01744 0.02556 -0.09258 125 4ZZ 0.01203 0.07319 0.06143 0.03757 -0.03445 126 4XY -0.00880 -0.00404 -0.02347 0.04241 0.00652 127 4XZ -0.00271 -0.02255 0.02378 0.01596 -0.03625 128 4YZ 0.02051 0.01934 -0.00314 -0.08831 -0.01785 129 13 C 1S -0.00476 -0.00004 -0.01596 0.01535 0.01460 130 2S -0.26398 0.10892 -0.50734 0.30678 0.08824 131 2PX -0.01078 -0.02024 0.07155 -0.04425 0.09093 132 2PY 0.13616 0.04639 -0.00352 -0.13304 0.05465 133 2PZ 0.08014 -0.01620 0.03502 -0.02477 -0.03005 134 3S 0.85842 -0.35642 1.91341 -0.56021 -1.00242 135 3PX -0.06220 0.27807 -0.25029 0.62378 -0.09935 136 3PY -1.43539 -0.42839 0.97525 1.09095 -0.52442 137 3PZ -0.10925 0.02350 -0.23661 -0.31567 0.05212 138 4XX 0.05421 0.01145 -0.04967 0.00985 -0.13696 139 4YY -0.08008 -0.03294 -0.04013 0.08112 -0.06682 140 4ZZ 0.00201 0.01905 0.05315 -0.04471 0.19078 141 4XY 0.00329 -0.00553 0.02669 -0.01240 -0.02114 142 4XZ -0.02616 -0.02749 0.00152 0.00495 -0.05921 143 4YZ 0.02755 0.01474 -0.03186 -0.04358 -0.04202 144 14 C 1S 0.02337 -0.00100 0.02409 0.00925 -0.00485 145 2S 0.61338 -0.02124 0.48737 0.03204 -0.14306 146 2PX -0.06109 0.01334 -0.06995 0.05202 -0.00782 147 2PY 0.04263 -0.07988 0.16473 -0.02058 0.00369 148 2PZ -0.01558 -0.10571 0.10084 0.00760 -0.00598 149 3S -1.05816 -0.27787 -0.73699 -1.37618 0.50133 150 3PX -0.14691 -0.22700 0.85294 0.43090 -0.23896 151 3PY 0.67385 0.48797 -0.75527 -0.88112 0.04974 152 3PZ 0.46926 0.30874 -0.65007 -0.51419 0.15878 153 4XX 0.02819 0.01874 0.05105 0.00159 0.10727 154 4YY 0.02714 -0.03845 0.11757 -0.00785 -0.03390 155 4ZZ 0.02451 0.00342 -0.13069 0.00197 -0.08788 156 4XY -0.02190 0.00381 0.01405 -0.00177 0.15083 157 4XZ -0.06457 -0.00556 -0.01143 0.02583 0.03745 158 4YZ 0.01014 0.01982 -0.02240 -0.00962 0.14803 159 15 C 1S -0.02336 -0.00100 0.02409 -0.00924 -0.00485 160 2S -0.61326 -0.02108 0.48749 -0.03201 -0.14300 161 2PX 0.06107 0.01331 -0.06996 -0.05202 -0.00783 162 2PY 0.04262 0.07986 -0.16474 -0.02059 -0.00369 163 2PZ 0.01557 -0.10572 0.10084 -0.00758 -0.00598 164 3S 1.05782 -0.27793 -0.73725 1.37619 0.50117 165 3PX 0.14706 -0.22716 0.85295 -0.43086 -0.23891 166 3PY 0.67385 -0.48835 0.75516 -0.88106 -0.04974 167 3PZ -0.46933 0.30903 -0.65002 0.51416 0.15876 168 4XX -0.02817 0.01874 0.05105 -0.00157 0.10728 169 4YY -0.02712 -0.03845 0.11757 0.00786 -0.03390 170 4ZZ -0.02454 0.00343 -0.13069 -0.00199 -0.08788 171 4XY -0.02191 -0.00380 -0.01405 -0.00179 -0.15083 172 4XZ 0.06456 -0.00558 -0.01144 -0.02583 0.03745 173 4YZ 0.01013 -0.01982 0.02240 -0.00964 -0.14803 174 16 C 1S 0.00476 -0.00004 -0.01596 -0.01535 0.01460 175 2S 0.26385 0.10881 -0.50738 -0.30679 0.08829 176 2PX 0.01079 -0.02024 0.07154 0.04426 0.09092 177 2PY 0.13613 -0.04644 0.00350 -0.13304 -0.05466 178 2PZ -0.08013 -0.01616 0.03504 0.02477 -0.03005 179 3S -0.85795 -0.35623 1.91356 0.56020 -1.00246 180 3PX 0.06227 0.27799 -0.25027 -0.62384 -0.09929 181 3PY -1.43548 0.42896 -0.97499 1.09097 0.52452 182 3PZ 0.10921 0.02345 -0.23665 0.31562 0.05211 183 4XX -0.05423 0.01146 -0.04966 -0.00987 -0.13696 184 4YY 0.08006 -0.03297 -0.04014 -0.08113 -0.06681 185 4ZZ -0.00199 0.01905 0.05315 0.04474 0.19079 186 4XY 0.00329 0.00553 -0.02669 -0.01240 0.02114 187 4XZ 0.02615 -0.02749 0.00151 -0.00496 -0.05922 188 4YZ 0.02755 -0.01475 0.03185 -0.04358 0.04202 189 17 H 1S -0.44278 -0.05908 0.14106 0.31327 0.11989 190 2S -0.64164 -0.05179 0.01952 0.53961 -0.19377 191 18 H 1S 0.32399 0.15523 -0.24847 -0.16877 0.04834 192 2S 0.44299 0.29225 -0.43188 -0.25731 0.03360 193 19 H 1S -0.32400 0.15537 -0.24841 0.16875 0.04834 194 2S -0.44299 0.29245 -0.43181 0.25727 0.03360 195 20 H 1S 0.44280 -0.05924 0.14098 -0.31325 0.11987 196 2S 0.64159 -0.05203 0.01941 -0.53963 -0.19380 197 21 C 1S 0.00000 0.00208 0.00228 0.00000 -0.02966 198 2S 0.00001 0.08894 -0.02147 -0.00004 -0.58588 199 2PX -0.00001 0.12382 -0.29790 -0.00002 0.08983 200 2PY -0.13644 0.00003 0.00001 0.11018 0.00000 201 2PZ 0.00000 0.05132 -0.05006 -0.00001 -0.00007 202 3S -0.00013 0.24433 -1.29469 0.00010 1.94361 203 3PX 0.00001 -0.72622 1.35713 0.00011 -0.12916 204 3PY 0.17273 -0.00002 0.00000 -0.58503 0.00002 205 3PZ 0.00001 -0.61195 0.91268 0.00003 -0.49871 206 4XX 0.00001 -0.02681 0.10626 0.00000 -0.03907 207 4YY 0.00001 0.06035 -0.01924 0.00001 0.12613 208 4ZZ -0.00002 -0.02006 -0.12523 -0.00001 -0.15250 209 4XY 0.02771 0.00000 0.00000 0.00205 0.00000 210 4XZ 0.00001 0.06372 -0.03212 0.00000 0.09187 211 4YZ 0.01307 0.00000 0.00000 -0.00470 0.00000 212 22 H 1S 0.00001 -0.22947 0.40845 0.00002 -0.07548 213 2S 0.00003 0.03368 0.34241 0.00000 -0.32582 214 23 H 1S 0.00001 0.22322 -0.24187 -0.00002 -0.01781 215 2S 0.00000 0.32030 -0.50038 -0.00004 -0.05458 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 0.01039 0.01314 -0.00073 0.00801 -0.00058 2 2S 0.34825 0.26845 -0.04972 0.06490 -0.10211 3 2PX 0.12584 0.08815 -0.00879 -0.02426 -0.08125 4 2PY -0.03346 -0.09566 0.09117 0.01372 0.06831 5 2PZ -0.09267 -0.06934 0.00209 0.01482 0.02164 6 3S -0.93108 -0.35978 -0.30585 -0.85790 -0.46873 7 3PX -0.94431 -0.66819 0.08022 -0.45965 0.29206 8 3PY -0.26094 0.50838 -0.40282 -0.12994 -0.56654 9 3PZ 0.86483 0.43596 -0.01983 0.22571 -0.05460 10 4XX 0.00515 0.12311 0.01165 0.04993 0.16515 11 4YY 0.01242 0.08718 0.02338 -0.00122 -0.03702 12 4ZZ 0.01746 -0.21207 -0.03538 -0.05142 -0.11162 13 4XY 0.01599 -0.02218 -0.00215 0.01433 0.05304 14 4XZ -0.03985 -0.05562 -0.04875 0.01883 0.09285 15 4YZ -0.03267 -0.07066 0.04322 0.02076 0.12740 16 2 H 1S -0.16035 -0.16518 0.06201 -0.00115 0.12096 17 2S -0.28959 -0.40509 0.08194 -0.03262 0.25504 18 3 C 1S -0.01039 0.01315 -0.00073 -0.00801 -0.00058 19 2S -0.34815 0.26864 -0.04974 -0.06493 -0.10215 20 2PX -0.12580 0.08822 -0.00880 0.02423 -0.08127 21 2PY -0.03343 0.09568 -0.09117 0.01369 -0.06832 22 2PZ 0.09264 -0.06938 0.00210 -0.01482 0.02165 23 3S 0.93096 -0.36047 -0.30579 0.85767 -0.46874 24 3PX 0.94406 -0.66872 0.08023 0.45972 0.29205 25 3PY -0.26113 -0.50833 0.40288 -0.12972 0.56662 26 3PZ -0.86467 0.43641 -0.01986 -0.22571 -0.05464 27 4XX -0.00510 0.12311 0.01167 -0.04985 0.16517 28 4YY -0.01239 0.08719 0.02338 0.00122 -0.03701 29 4ZZ -0.01755 -0.21206 -0.03540 0.05135 -0.11165 30 4XY 0.01600 0.02217 0.00215 0.01432 -0.05305 31 4XZ 0.03982 -0.05563 -0.04874 -0.01880 0.09285 32 4YZ -0.03264 0.07067 -0.04322 0.02072 -0.12741 33 4 H 1S 0.16029 -0.16526 0.06202 0.00119 0.12098 34 2S 0.28943 -0.40524 0.08195 0.03270 0.25506 35 5 C 1S -0.01107 -0.01394 0.00416 0.01143 0.00660 36 2S -0.30707 -0.33930 0.19810 0.21385 0.10827 37 2PX -0.06870 -0.02008 0.08084 -0.01477 0.09010 38 2PY -0.09798 -0.09114 0.01163 -0.01915 0.00694 39 2PZ -0.01156 -0.02703 -0.01594 0.07035 0.05365 40 3S 1.62496 -0.21210 -1.15598 -1.02251 -0.08315 41 3PX 1.63470 -0.13386 -0.75277 0.19997 -0.82342 42 3PY 0.66040 1.33805 -0.12737 -0.78801 -0.45838 43 3PZ -0.82971 0.13995 0.38356 -0.36288 0.19280 44 4XX -0.07035 0.01693 -0.08885 0.10770 -0.00340 45 4YY 0.04528 -0.03931 0.01157 0.01048 -0.05516 46 4ZZ 0.02912 -0.00729 0.05855 -0.13272 0.06774 47 4XY -0.00543 0.02387 -0.01148 0.04350 0.22346 48 4XZ 0.00490 -0.02607 -0.12487 0.04646 0.05123 49 4YZ -0.07288 0.13819 -0.10230 0.05350 0.25307 50 6 C 1S 0.02462 -0.04031 -0.02146 0.00647 -0.00406 51 2S 0.94921 -0.63195 -0.43321 0.26720 -0.09740 52 2PX 0.02203 0.06135 -0.09456 0.17000 -0.14375 53 2PY -0.00049 -0.01388 -0.03527 -0.03507 0.07197 54 2PZ 0.16216 -0.17212 -0.03303 0.01383 0.06211 55 3S -4.16581 0.96608 1.41286 -0.06072 0.92763 56 3PX 1.64143 0.24399 -0.05474 -1.01501 0.02744 57 3PY -0.47318 -0.32516 -0.29253 0.40712 -0.44712 58 3PZ -1.44828 0.26258 0.25697 0.52955 -0.00706 59 4XX 0.08487 -0.00855 0.16003 -0.09130 -0.15393 60 4YY 0.00621 -0.03322 -0.06463 -0.00776 -0.01614 61 4ZZ -0.08252 -0.04076 -0.11068 0.11357 0.17938 62 4XY -0.02401 -0.13375 0.06285 -0.00065 0.05292 63 4XZ -0.04633 -0.05688 -0.00521 -0.09808 0.00263 64 4YZ 0.00195 -0.06295 0.03483 0.00047 -0.12783 65 7 H 1S -0.25832 -0.18715 -0.06581 0.20873 -0.02796 66 2S -0.13942 -0.08630 -0.10946 0.31900 -0.25908 67 8 C 1S -0.02464 -0.04030 -0.02146 -0.00648 -0.00405 68 2S -0.94950 -0.63154 -0.43314 -0.26733 -0.09734 69 2PX -0.02200 0.06137 -0.09452 -0.17005 -0.14369 70 2PY -0.00047 0.01388 0.03527 -0.03508 -0.07195 71 2PZ -0.16223 -0.17206 -0.03302 -0.01383 0.06210 72 3S 4.16635 0.96440 1.41273 0.06129 0.92768 73 3PX -1.64138 0.24456 -0.05487 1.01500 0.02708 74 3PY -0.47300 0.32534 0.29255 0.40729 0.44699 75 3PZ 1.44843 0.26208 0.25702 -0.52947 -0.00687 76 4XX -0.08487 -0.00851 0.16003 0.09128 -0.15398 77 4YY -0.00622 -0.03322 -0.06463 0.00774 -0.01614 78 4ZZ 0.08249 -0.04078 -0.11067 -0.11353 0.17943 79 4XY -0.02396 0.13375 -0.06285 -0.00067 -0.05292 80 4XZ 0.04630 -0.05690 -0.00523 0.09808 0.00260 81 4YZ 0.00196 0.06294 -0.03483 0.00050 0.12784 82 9 H 1S 0.25825 -0.18723 -0.06578 -0.20876 -0.02789 83 2S 0.13938 -0.08633 -0.10941 -0.31907 -0.25897 84 10 C 1S 0.01107 -0.01395 0.00416 -0.01143 0.00660 85 2S 0.30698 -0.33940 0.19814 -0.21380 0.10835 86 2PX 0.06870 -0.02011 0.08084 0.01481 0.09010 87 2PY -0.09796 0.09119 -0.01163 -0.01915 -0.00694 88 2PZ 0.01154 -0.02703 -0.01593 -0.07034 0.05368 89 3S -1.62526 -0.21165 -1.15602 1.02226 -0.08340 90 3PX -1.63477 -0.13320 -0.75280 -0.20043 -0.82345 91 3PY 0.65999 -1.33819 0.12747 -0.78789 0.45863 92 3PZ 0.82981 0.13958 0.38355 0.36301 0.19274 93 4XX 0.07036 0.01690 -0.08884 -0.10771 -0.00336 94 4YY -0.04530 -0.03929 0.01158 -0.01049 -0.05515 95 4ZZ -0.02912 -0.00728 0.05852 0.13276 0.06768 96 4XY -0.00544 -0.02388 0.01149 0.04342 -0.22349 97 4XZ -0.00492 -0.02607 -0.12486 -0.04647 0.05125 98 4YZ -0.07293 -0.13817 0.10231 0.05341 -0.25310 99 11 O 1S 0.00570 -0.03228 -0.01198 0.01133 0.01279 100 2S 0.14207 -0.46636 -0.29333 0.13991 0.17227 101 2PX 0.15137 -0.03532 -0.02160 0.00167 0.04117 102 2PY 0.02753 -0.04907 -0.11264 -0.02485 0.00953 103 2PZ -0.05742 0.02587 -0.03172 0.00634 0.00329 104 3S -0.26667 1.72173 0.73396 -0.54949 -0.63062 105 3PX -0.49985 0.12415 0.14890 -0.02955 0.15906 106 3PY -0.16448 0.44584 0.33083 -0.10198 -0.18454 107 3PZ 0.17823 0.06257 -0.05084 0.05619 0.08249 108 4XX 0.02453 -0.08989 -0.07053 0.05867 0.00304 109 4YY 0.02948 -0.14169 -0.09958 0.06855 0.10583 110 4ZZ 0.04667 -0.16170 -0.04425 -0.01122 0.03844 111 4XY 0.07010 -0.01395 0.00703 -0.03556 -0.16240 112 4XZ 0.02525 -0.06901 -0.04728 0.01484 -0.01476 113 4YZ 0.00915 -0.08230 0.07286 -0.02395 -0.17339 114 12 O 1S -0.00571 -0.03227 -0.01198 -0.01133 0.01279 115 2S -0.14230 -0.46629 -0.29328 -0.13992 0.17232 116 2PX -0.15139 -0.03526 -0.02160 -0.00166 0.04117 117 2PY 0.02757 0.04906 0.11264 -0.02483 -0.00953 118 2PZ 0.05743 0.02585 -0.03172 -0.00634 0.00330 119 3S 0.26745 1.72156 0.73382 0.54949 -0.63082 120 3PX 0.49991 0.12392 0.14889 0.02964 0.15909 121 3PY -0.16472 -0.44577 -0.33080 -0.10200 0.18458 122 3PZ -0.17822 0.06265 -0.05085 -0.05616 0.08249 123 4XX -0.02457 -0.08987 -0.07051 -0.05869 0.00307 124 4YY -0.02956 -0.14167 -0.09957 -0.06854 0.10584 125 4ZZ -0.04675 -0.16168 -0.04425 0.01122 0.03843 126 4XY 0.07010 0.01392 -0.00703 -0.03550 0.16243 127 4XZ -0.02528 -0.06900 -0.04728 -0.01485 -0.01475 128 4YZ 0.00918 0.08231 -0.07287 -0.02389 0.17339 129 13 C 1S 0.00151 0.03620 0.03039 0.00010 0.01108 130 2S 0.45268 0.54948 0.26885 0.15999 0.00861 131 2PX -0.12981 -0.04694 0.01054 -0.14788 0.03586 132 2PY 0.08608 0.09214 0.10820 0.01385 -0.06989 133 2PZ -0.14523 -0.05044 -0.06283 0.00922 -0.01153 134 3S -0.53241 -1.18260 -0.97450 -2.30367 -0.35947 135 3PX -0.29680 -0.05478 -0.31234 -0.71966 -0.08265 136 3PY -0.75538 0.18457 -0.31000 -1.20627 0.21333 137 3PZ 0.56915 0.44661 0.14692 0.22219 -0.05627 138 4XX -0.12225 -0.03912 0.24335 0.03096 0.05812 139 4YY 0.00173 -0.02973 -0.03900 0.02342 0.01830 140 4ZZ 0.11142 0.13468 -0.17050 -0.09437 -0.06321 141 4XY 0.09767 -0.02665 0.06400 0.15925 0.06718 142 4XZ -0.08912 -0.02042 0.04028 0.10413 0.04675 143 4YZ 0.05642 -0.01614 0.10352 0.25320 0.02014 144 14 C 1S 0.00817 -0.00151 -0.00275 -0.05517 0.00420 145 2S 0.17258 0.06980 0.06090 -0.96624 0.09332 146 2PX -0.03181 -0.07543 -0.13252 0.03660 -0.03803 147 2PY 0.01039 0.07155 0.04835 0.02568 0.03571 148 2PZ -0.00503 0.02789 0.01851 -0.05387 0.02656 149 3S 0.24979 0.49724 0.50252 5.21596 0.10814 150 3PX -0.10932 -0.12052 -0.06434 -1.79227 0.16582 151 3PY -0.09347 -0.28335 -0.13840 1.86133 -0.28586 152 3PZ 0.20733 0.09057 0.18339 1.41349 -0.13003 153 4XX 0.07912 0.08839 -0.23184 -0.19581 -0.07670 154 4YY 0.00373 -0.01442 0.00371 0.00626 0.02014 155 4ZZ -0.07318 -0.08877 0.19759 0.16998 0.07676 156 4XY 0.01201 0.07110 -0.06634 0.00809 -0.02270 157 4XZ -0.04354 0.05273 -0.07745 0.01725 -0.03868 158 4YZ 0.00950 -0.02842 -0.24886 0.05934 -0.03628 159 15 C 1S -0.00817 -0.00151 -0.00275 0.05517 0.00419 160 2S -0.17256 0.06977 0.06077 0.96628 0.09304 161 2PX 0.03177 -0.07543 -0.13251 -0.03663 -0.03802 162 2PY 0.01036 -0.07156 -0.04836 0.02566 -0.03571 163 2PZ 0.00504 0.02789 0.01850 0.05389 0.02655 164 3S -0.24954 0.49779 0.50328 -5.21585 0.10956 165 3PX 0.10925 -0.12071 -0.06461 1.79230 0.16535 166 3PY -0.09337 0.28328 0.13813 1.86143 0.28534 167 3PZ -0.20728 0.09076 0.18362 -1.41349 -0.12966 168 4XX -0.07908 0.08841 -0.23186 0.19577 -0.07676 169 4YY -0.00373 -0.01442 0.00371 -0.00626 0.02015 170 4ZZ 0.07315 -0.08879 0.19760 -0.16995 0.07682 171 4XY 0.01197 -0.07110 0.06634 0.00812 0.02270 172 4XZ 0.04356 0.05271 -0.07744 -0.01727 -0.03867 173 4YZ 0.00950 0.02841 0.24885 0.05941 0.03626 174 16 C 1S -0.00149 0.03620 0.03039 -0.00009 0.01107 175 2S -0.45245 0.54968 0.26885 -0.15996 0.00861 176 2PX 0.12980 -0.04700 0.01053 0.14790 0.03582 177 2PY 0.08603 -0.09217 -0.10821 0.01383 0.06989 178 2PZ 0.14521 -0.05050 -0.06283 -0.00923 -0.01152 179 3S 0.53187 -1.18304 -0.97477 2.30356 -0.35998 180 3PX 0.29677 -0.05496 -0.31248 0.71955 -0.08286 181 3PY -0.75538 -0.18422 0.31023 -1.20629 -0.21302 182 3PZ -0.56895 0.44688 0.14699 -0.22214 -0.05623 183 4XX 0.12223 -0.03917 0.24335 -0.03092 0.05812 184 4YY -0.00174 -0.02973 -0.03900 -0.02342 0.01831 185 4ZZ -0.11136 0.13472 -0.17050 0.09434 -0.06323 186 4XY 0.09768 0.02659 -0.06403 0.15922 -0.06724 187 4XZ 0.08910 -0.02044 0.04029 -0.10411 0.04679 188 4YZ 0.05643 0.01611 -0.10356 0.25318 -0.02023 189 17 H 1S -0.28194 0.22465 0.14705 -0.09665 0.05892 190 2S -0.23661 0.19851 -0.08224 -0.24053 0.15315 191 18 H 1S -0.01059 0.03521 0.07183 0.21310 -0.10930 192 2S 0.03542 -0.04504 -0.05317 0.49808 -0.14067 193 19 H 1S 0.01061 0.03521 0.07187 -0.21311 -0.10924 194 2S -0.03544 -0.04501 -0.05309 -0.49813 -0.14054 195 20 H 1S 0.28204 0.22454 0.14701 0.09668 0.05889 196 2S 0.23665 0.19841 -0.08231 0.24054 0.15308 197 21 C 1S 0.00001 0.03728 -0.00667 0.00000 -0.03561 198 2S 0.00011 0.61915 0.05843 0.00001 -0.45744 199 2PX -0.00002 -0.11585 0.04314 -0.00001 -0.02574 200 2PY -0.10481 0.00002 0.00001 -0.04773 0.00000 201 2PZ -0.00003 -0.15053 -0.08597 -0.00002 -0.03067 202 3S -0.00023 -1.38266 0.43169 0.00000 1.17232 203 3PX 0.00010 0.52550 0.33352 0.00005 0.12834 204 3PY 0.42146 -0.00007 0.00000 -0.34621 0.00004 205 3PZ 0.00002 0.22839 0.06357 0.00006 0.10738 206 4XX 0.00000 0.02478 0.01776 0.00001 0.01191 207 4YY 0.00003 0.10475 -0.01001 -0.00001 -0.07544 208 4ZZ -0.00001 -0.03453 0.01923 0.00000 0.00535 209 4XY -0.17014 0.00005 0.00002 -0.21441 0.00004 210 4XZ 0.00001 0.04005 -0.00399 -0.00001 -0.06930 211 4YZ -0.00190 0.00000 0.00000 0.01313 0.00001 212 22 H 1S 0.00001 0.07824 -0.01724 0.00002 -0.00093 213 2S 0.00013 0.64801 0.08720 -0.00002 -0.35753 214 23 H 1S 0.00001 0.05968 -0.15713 -0.00001 -0.12558 215 2S -0.00001 -0.08257 -0.06224 -0.00004 -0.22559 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 -0.00748 -0.00157 0.00907 0.00687 0.00666 2 2S -0.17372 -0.08656 0.07703 0.01917 0.02298 3 2PX -0.02001 0.03066 0.03572 -0.12263 -0.02877 4 2PY 0.02233 0.02686 -0.06069 -0.06692 -0.04211 5 2PZ 0.04312 0.07152 0.12240 -0.04827 0.03369 6 3S 0.87070 0.41837 -0.53798 -0.64803 -0.45139 7 3PX 0.37271 0.20326 -0.31353 -0.24194 -0.24272 8 3PY -0.19805 -0.01625 0.07153 -0.03356 0.01592 9 3PZ -0.37013 -0.18625 0.14959 0.20305 0.14426 10 4XX -0.03353 -0.24740 -0.25151 0.10596 -0.05552 11 4YY 0.00447 -0.00978 0.01874 -0.00657 0.02584 12 4ZZ 0.02418 0.25718 0.22094 -0.09586 0.01194 13 4XY 0.00369 -0.04229 0.19152 -0.24457 -0.00063 14 4XZ -0.00612 -0.08442 -0.13938 0.05700 -0.07935 15 4YZ 0.01993 -0.02532 0.23921 -0.28913 -0.02685 16 2 H 1S 0.05071 -0.00458 -0.02664 -0.02252 -0.01570 17 2S 0.12406 0.04771 -0.08868 -0.03247 -0.07551 18 3 C 1S 0.00748 0.00157 0.00907 0.00687 0.00666 19 2S 0.17370 0.08655 0.07705 0.01918 0.02300 20 2PX 0.02001 -0.03065 0.03572 -0.12263 -0.02877 21 2PY 0.02231 0.02686 0.06069 0.06692 0.04211 22 2PZ -0.04312 -0.07154 0.12239 -0.04827 0.03369 23 3S -0.87065 -0.41823 -0.53807 -0.64806 -0.45151 24 3PX -0.37266 -0.20321 -0.31357 -0.24195 -0.24277 25 3PY -0.19800 -0.01627 -0.07153 0.03363 -0.01596 26 3PZ 0.37011 0.18622 0.14964 0.20307 0.14430 27 4XX 0.03356 0.24742 -0.25148 0.10599 -0.05552 28 4YY -0.00447 0.00978 0.01875 -0.00658 0.02584 29 4ZZ -0.02420 -0.25720 0.22090 -0.09588 0.01193 30 4XY 0.00369 -0.04228 -0.19151 0.24457 0.00063 31 4XZ 0.00613 0.08444 -0.13938 0.05702 -0.07935 32 4YZ 0.01993 -0.02531 -0.23920 0.28913 0.02685 33 4 H 1S -0.05070 0.00458 -0.02665 -0.02252 -0.01571 34 2S -0.12404 -0.04771 -0.08869 -0.03247 -0.07553 35 5 C 1S 0.00264 -0.00502 -0.01029 -0.01029 -0.00908 36 2S 0.05945 -0.02606 -0.34295 -0.45078 -0.27221 37 2PX 0.04245 0.06789 -0.05050 -0.05408 0.01019 38 2PY 0.03557 -0.01472 -0.04455 -0.07126 -0.03955 39 2PZ -0.01039 0.06391 -0.03388 -0.01305 -0.02773 40 3S 0.17034 0.47287 0.57024 1.43680 0.55020 41 3PX -0.36530 -0.17018 -0.11585 -0.10380 -0.11316 42 3PY 0.01465 0.29581 0.97265 0.79100 0.78773 43 3PZ 0.22701 -0.12174 0.28934 0.34091 0.28222 44 4XX 0.10823 -0.21211 0.08578 -0.01106 0.06170 45 4YY -0.04004 -0.05293 -0.02758 -0.00893 -0.03898 46 4ZZ -0.05218 0.25925 -0.07706 0.00956 -0.04543 47 4XY 0.10898 0.22109 -0.09049 -0.02044 -0.01780 48 4XZ 0.06230 -0.08862 -0.00559 0.01704 -0.06645 49 4YZ 0.17289 0.23983 -0.03021 -0.03955 0.00672 50 6 C 1S -0.00192 0.00783 -0.01063 -0.00492 0.00066 51 2S -0.16959 0.19416 -0.19843 -0.12319 0.10381 52 2PX -0.01677 -0.01430 -0.12069 -0.14825 0.02447 53 2PY -0.02199 0.00613 0.09013 0.16388 0.04797 54 2PZ -0.08312 0.01800 0.01587 0.05611 0.04428 55 3S 0.60360 -0.77797 0.46400 0.31875 -0.06259 56 3PX -0.17009 0.32793 0.48963 0.56690 0.16549 57 3PY 0.10680 -0.24155 -0.54531 -0.62723 -0.31835 58 3PZ 0.01039 -0.04815 -0.25902 -0.46363 -0.31951 59 4XX -0.12957 0.03561 -0.09868 -0.00643 -0.13788 60 4YY -0.01393 -0.00375 0.05020 0.03410 0.09459 61 4ZZ 0.14048 -0.03560 0.02512 -0.04644 -0.00718 62 4XY 0.00692 0.02224 -0.00577 0.15981 0.10724 63 4XZ 0.00564 -0.03487 -0.00851 0.07362 -0.04459 64 4YZ -0.05196 0.04269 -0.10318 0.06693 0.03634 65 7 H 1S -0.04960 -0.00681 -0.12868 -0.13623 -0.08583 66 2S 0.01904 -0.01628 -0.35502 -0.46772 -0.20249 67 8 C 1S 0.00192 -0.00782 -0.01063 -0.00492 0.00066 68 2S 0.16960 -0.19410 -0.19843 -0.12319 0.10381 69 2PX 0.01678 0.01433 -0.12070 -0.14827 0.02447 70 2PY -0.02198 0.00615 -0.09013 -0.16388 -0.04797 71 2PZ 0.08312 -0.01800 0.01587 0.05610 0.04428 72 3S -0.60358 0.77782 0.46393 0.31869 -0.06256 73 3PX 0.17002 -0.32803 0.48968 0.56699 0.16549 74 3PY 0.10675 -0.24168 0.54529 0.62714 0.31832 75 3PZ -0.01034 0.04821 -0.25899 -0.46362 -0.31950 76 4XX 0.12957 -0.03559 -0.09866 -0.00643 -0.13788 77 4YY 0.01392 0.00374 0.05020 0.03410 0.09459 78 4ZZ -0.14047 0.03560 0.02510 -0.04645 -0.00718 79 4XY 0.00692 0.02226 0.00578 -0.15981 -0.10723 80 4XZ -0.00565 0.03486 -0.00849 0.07363 -0.04459 81 4YZ -0.05195 0.04267 0.10317 -0.06694 -0.03634 82 9 H 1S 0.04962 0.00684 -0.12866 -0.13621 -0.08583 83 2S -0.01901 0.01636 -0.35501 -0.46771 -0.20249 84 10 C 1S -0.00264 0.00502 -0.01029 -0.01029 -0.00908 85 2S -0.05939 0.02612 -0.34298 -0.45079 -0.27220 86 2PX -0.04244 -0.06789 -0.05052 -0.05409 0.01019 87 2PY 0.03557 -0.01472 0.04456 0.07126 0.03955 88 2PZ 0.01039 -0.06391 -0.03389 -0.01305 -0.02773 89 3S -0.17049 -0.47301 0.57025 1.43684 0.55015 90 3PX 0.36526 0.17026 -0.11579 -0.10372 -0.11316 91 3PY 0.01478 0.29596 -0.97265 -0.79099 -0.78767 92 3PZ -0.22704 0.12166 0.28932 0.34085 0.28220 93 4XX -0.10823 0.21212 0.08578 -0.01106 0.06170 94 4YY 0.04003 0.05292 -0.02757 -0.00893 -0.03897 95 4ZZ 0.05219 -0.25924 -0.07707 0.00956 -0.04543 96 4XY 0.10896 0.22107 0.09054 0.02046 0.01780 97 4XZ -0.06229 0.08863 -0.00559 0.01704 -0.06645 98 4YZ 0.17287 0.23982 0.03027 0.03958 -0.00671 99 11 O 1S 0.00111 -0.00228 -0.01420 0.00156 -0.01303 100 2S 0.04867 -0.03767 -0.13671 0.20275 -0.09869 101 2PX 0.00238 0.03667 0.01133 0.02021 0.00819 102 2PY 0.02009 -0.02249 0.05224 0.14493 0.04873 103 2PZ 0.06551 0.02644 0.00300 -0.01871 -0.00007 104 3S -0.11111 0.12309 0.72084 -0.24020 0.56654 105 3PX 0.12293 0.06721 -0.00842 -0.03418 0.02425 106 3PY -0.05912 0.01183 0.12432 -0.25313 0.08836 107 3PZ -0.06156 0.10536 -0.03523 -0.04797 -0.03209 108 4XX 0.01311 -0.11854 0.02431 0.03208 0.00093 109 4YY 0.04356 0.02648 -0.06449 0.05006 -0.04439 110 4ZZ -0.02710 0.05755 -0.07262 0.04235 -0.05094 111 4XY -0.10519 -0.12089 0.04028 0.02664 0.00082 112 4XZ -0.00254 -0.05420 -0.03627 -0.01914 -0.05680 113 4YZ -0.09523 -0.18239 0.01594 0.05321 0.02174 114 12 O 1S -0.00110 0.00228 -0.01420 0.00156 -0.01303 115 2S -0.04867 0.03767 -0.13672 0.20275 -0.09869 116 2PX -0.00238 -0.03668 0.01132 0.02020 0.00819 117 2PY 0.02010 -0.02247 -0.05224 -0.14493 -0.04873 118 2PZ -0.06551 -0.02644 0.00299 -0.01872 -0.00008 119 3S 0.11105 -0.12315 0.72085 -0.24020 0.56651 120 3PX -0.12292 -0.06722 -0.00844 -0.03418 0.02425 121 3PY -0.05911 0.01182 -0.12433 0.25312 -0.08836 122 3PZ 0.06157 -0.10535 -0.03523 -0.04797 -0.03209 123 4XX -0.01312 0.11853 0.02431 0.03208 0.00093 124 4YY -0.04355 -0.02647 -0.06450 0.05006 -0.04439 125 4ZZ 0.02710 -0.05755 -0.07262 0.04236 -0.05094 126 4XY -0.10517 -0.12089 -0.04032 -0.02666 -0.00083 127 4XZ 0.00254 0.05420 -0.03627 -0.01913 -0.05680 128 4YZ -0.09522 -0.18239 -0.01598 -0.05323 -0.02174 129 13 C 1S -0.01199 0.00380 0.02420 0.01453 0.00772 130 2S -0.21095 0.02730 0.30654 0.15684 0.15818 131 2PX 0.10216 0.00787 -0.05898 -0.06756 -0.01620 132 2PY -0.00674 0.06252 -0.12336 -0.11109 -0.10655 133 2PZ -0.00188 -0.00504 -0.02745 -0.02596 -0.03838 134 3S 1.51123 -0.49677 -1.00931 -0.43726 -1.09519 135 3PX 0.01502 -0.29885 0.31885 0.37046 0.21708 136 3PY 0.71551 -0.69458 0.65640 0.73317 -0.22017 137 3PZ -0.04523 0.22473 -0.06714 -0.09343 -0.44552 138 4XX -0.21892 0.06961 0.01870 0.01192 -0.09626 139 4YY -0.05214 -0.01567 0.02883 0.03719 0.01634 140 4ZZ 0.27170 -0.06022 -0.03152 -0.04730 0.04511 141 4XY 0.17679 -0.02439 0.01850 0.08140 0.09970 142 4XZ 0.04445 -0.03357 -0.00746 -0.00389 -0.05187 143 4YZ -0.01525 0.03845 -0.01651 0.01438 -0.02605 144 14 C 1S 0.02396 -0.00743 0.00980 0.00953 0.00651 145 2S 0.36380 -0.10871 0.21743 0.24646 0.05273 146 2PX 0.00423 -0.01068 -0.09411 -0.09481 0.13345 147 2PY -0.03838 0.01497 0.07698 0.07759 0.00062 148 2PZ 0.08302 -0.04663 -0.01658 -0.02511 0.06147 149 3S -2.42957 1.25880 -0.05600 -0.23843 -0.08105 150 3PX 0.91818 -0.47121 0.34398 0.43910 0.06044 151 3PY -1.23876 0.61708 -0.52170 -0.49771 -0.07759 152 3PZ -0.75376 0.48949 -0.28508 -0.32846 -0.11195 153 4XX 0.17959 -0.04868 -0.09154 -0.10247 0.21726 154 4YY -0.01108 0.00286 0.05091 0.06294 -0.01086 155 4ZZ -0.15515 0.04211 0.04455 0.03377 -0.18975 156 4XY 0.00617 0.00255 0.16562 0.13346 -0.33709 157 4XZ 0.04110 -0.02896 -0.05174 -0.08003 -0.06168 158 4YZ 0.03831 -0.01105 0.12994 0.11251 -0.25101 159 15 C 1S -0.02396 0.00743 0.00980 0.00954 0.00651 160 2S -0.36383 0.10865 0.21749 0.24651 0.05274 161 2PX -0.00422 0.01071 -0.09411 -0.09481 0.13345 162 2PY -0.03837 0.01499 -0.07697 -0.07759 -0.00062 163 2PZ -0.08302 0.04663 -0.01658 -0.02511 0.06147 164 3S 2.42961 -1.25880 -0.05657 -0.23885 -0.08110 165 3PX -0.91821 0.47113 0.34419 0.43926 0.06047 166 3PY -1.23880 0.61697 0.52193 0.49785 0.07762 167 3PZ 0.75379 -0.48944 -0.28528 -0.32860 -0.11198 168 4XX -0.17958 0.04871 -0.09154 -0.10248 0.21726 169 4YY 0.01108 -0.00287 0.05090 0.06294 -0.01086 170 4ZZ 0.15515 -0.04213 0.04455 0.03378 -0.18975 171 4XY 0.00619 0.00257 -0.16562 -0.13346 0.33709 172 4XZ -0.04110 0.02897 -0.05174 -0.08003 -0.06168 173 4YZ 0.03833 -0.01104 -0.12993 -0.11251 0.25101 174 16 C 1S 0.01199 -0.00380 0.02420 0.01453 0.00772 175 2S 0.21091 -0.02736 0.30651 0.15681 0.15817 176 2PX -0.10215 -0.00786 -0.05898 -0.06756 -0.01620 177 2PY -0.00675 0.06250 0.12338 0.11110 0.10656 178 2PZ 0.00188 0.00505 -0.02745 -0.02596 -0.03839 179 3S -1.51115 0.49702 -1.00905 -0.43706 -1.09516 180 3PX -0.01507 0.29880 0.31899 0.37056 0.21710 181 3PY 0.71557 -0.69446 -0.65666 -0.73332 0.22014 182 3PZ 0.04524 -0.22469 -0.06721 -0.09349 -0.44553 183 4XX 0.21892 -0.06963 0.01870 0.01193 -0.09625 184 4YY 0.05214 0.01567 0.02883 0.03720 0.01634 185 4ZZ -0.27170 0.06023 -0.03153 -0.04731 0.04511 186 4XY 0.17679 -0.02437 -0.01849 -0.08140 -0.09971 187 4XZ -0.04444 0.03356 -0.00746 -0.00389 -0.05186 188 4YZ -0.01525 0.03846 0.01653 -0.01437 0.02605 189 17 H 1S 0.00824 -0.11189 0.23243 0.18661 0.03555 190 2S 0.09821 -0.25147 0.47901 0.41097 0.14311 191 18 H 1S -0.17583 0.09676 -0.16524 -0.18216 -0.13601 192 2S -0.38787 0.23043 -0.25159 -0.26187 -0.03528 193 19 H 1S 0.17584 -0.09672 -0.16527 -0.18218 -0.13602 194 2S 0.38789 -0.23037 -0.25167 -0.26192 -0.03529 195 20 H 1S -0.00826 0.11184 0.23247 0.18663 0.03556 196 2S -0.09825 0.25137 0.47909 0.41101 0.14312 197 21 C 1S 0.00000 0.00001 -0.04559 -0.04445 -0.07369 198 2S 0.00002 0.00007 -0.50408 -0.57426 -0.95440 199 2PX 0.00000 0.00001 -0.08661 -0.08410 -0.13834 200 2PY 0.04972 -0.06091 -0.00001 -0.00001 0.00000 201 2PZ 0.00000 0.00000 0.10158 0.00326 0.03070 202 3S -0.00005 -0.00020 1.13614 1.27228 3.07380 203 3PX 0.00001 -0.00005 0.28841 -0.04141 0.47288 204 3PY 0.46408 0.08329 0.00001 0.00001 0.00000 205 3PZ 0.00001 0.00001 -0.17201 0.13566 -0.54640 206 4XX 0.00000 0.00000 -0.03781 0.00664 0.04228 207 4YY 0.00000 0.00000 -0.05320 -0.08250 0.11157 208 4ZZ 0.00000 0.00000 0.02367 -0.00417 -0.23898 209 4XY -0.38767 0.11330 -0.00001 -0.00001 0.00001 210 4XZ 0.00000 0.00000 0.00324 -0.08842 0.01181 211 4YZ -0.21856 0.07995 0.00000 0.00000 0.00000 212 22 H 1S 0.00001 0.00002 -0.19515 -0.07439 -0.27689 213 2S 0.00000 0.00001 0.17014 -0.43048 -0.03602 214 23 H 1S 0.00001 0.00003 -0.22524 -0.11181 -0.19033 215 2S 0.00001 0.00003 -0.15047 -0.26350 -0.30476 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 0.02920 -0.00655 0.00372 -0.05934 -0.02992 2 2S 0.62459 -0.08361 -0.03854 -1.05206 -0.45925 3 2PX 0.12045 -0.00728 -0.00923 -0.15682 -0.01619 4 2PY -0.03155 -0.00387 -0.07069 0.02089 0.03604 5 2PZ -0.09128 -0.05022 -0.00963 0.08585 -0.00198 6 3S -3.70282 0.57904 -0.08588 7.05341 3.40742 7 3PX -1.70170 0.06285 0.14933 3.35184 1.44860 8 3PY 2.04212 0.33614 -0.12257 -2.59919 -0.71752 9 3PZ 1.21414 0.01994 -0.08607 -2.38527 -1.01079 10 4XX 0.04434 0.07616 0.06964 -0.00591 0.02334 11 4YY -0.00805 0.02404 -0.11446 0.02398 0.01561 12 4ZZ -0.03351 -0.12460 0.08432 0.02156 -0.00941 13 4XY 0.05468 0.01185 0.02853 -0.02323 0.00072 14 4XZ 0.00538 0.06178 0.10912 0.05613 0.02014 15 4YZ 0.02496 -0.07454 -0.06413 0.02121 0.02543 16 2 H 1S -0.31233 0.00594 0.11030 0.45245 0.10178 17 2S -0.68843 -0.10621 0.07152 1.13340 0.35061 18 3 C 1S -0.02921 -0.00655 0.00375 0.05934 0.02992 19 2S -0.62459 -0.08357 -0.03801 1.05209 0.45927 20 2PX -0.12045 -0.00727 -0.00915 0.15684 0.01621 21 2PY -0.03156 0.00387 0.07070 0.02083 0.03602 22 2PZ 0.09127 -0.05022 -0.00967 -0.08586 0.00198 23 3S 3.70287 0.57871 -0.08946 -7.05331 -3.40738 24 3PX 1.70179 0.06271 0.14766 -3.35196 -1.44861 25 3PY 2.04208 -0.33625 0.12127 -2.59915 -0.71747 26 3PZ -1.21415 0.02003 -0.08487 2.38529 1.01077 27 4XX -0.04433 0.07615 0.06965 0.00587 -0.02336 28 4YY 0.00804 0.02404 -0.11447 -0.02392 -0.01560 29 4ZZ 0.03350 -0.12460 0.08431 -0.02160 0.00941 30 4XY 0.05469 -0.01185 -0.02855 -0.02321 0.00073 31 4XZ -0.00537 0.06178 0.10910 -0.05616 -0.02013 32 4YZ 0.02496 0.07454 0.06414 0.02117 0.02541 33 4 H 1S 0.31233 0.00593 0.11007 -0.45250 -0.10179 34 2S 0.68844 -0.10625 0.07096 -1.13343 -0.35060 35 5 C 1S 0.02111 -0.01093 0.00376 -0.03607 -0.02213 36 2S 0.28665 0.03355 0.15842 -0.73601 -0.44464 37 2PX 0.11092 0.01454 0.05342 -0.15887 0.00765 38 2PY 0.00314 0.01757 0.09064 -0.07251 0.01348 39 2PZ -0.07387 0.07432 -0.06007 0.03335 -0.04115 40 3S -2.60927 -0.25327 -0.01118 4.36476 3.33048 41 3PX -0.50429 0.66014 -0.36282 -0.29100 -0.20796 42 3PY -0.97156 0.67502 -0.58502 2.56433 1.43062 43 3PZ 0.49678 -0.53283 0.23987 0.55087 0.57586 44 4XX 0.22560 -0.02491 -0.06234 0.03411 0.16435 45 4YY -0.06537 -0.03704 0.00876 0.03842 -0.03801 46 4ZZ -0.19327 0.03105 0.09005 0.00216 -0.09468 47 4XY 0.06968 0.01790 -0.15135 -0.03974 0.02746 48 4XZ 0.05652 -0.10148 0.17713 0.07772 0.05262 49 4YZ 0.13457 -0.00881 0.03590 0.04118 0.08222 50 6 C 1S -0.03744 0.03224 -0.01139 0.00246 -0.02982 51 2S -0.28290 0.40990 0.05638 0.19997 -0.32316 52 2PX -0.03099 0.07718 -0.07122 0.15227 -0.13224 53 2PY 0.03191 -0.01190 -0.06512 0.08284 0.09690 54 2PZ 0.09345 0.13767 0.10550 -0.08787 0.06770 55 3S 2.33848 -1.30724 0.46083 -2.83232 -0.06078 56 3PX -0.51106 0.21476 0.01328 0.50633 1.86144 57 3PY -0.29423 0.28149 -0.08402 -1.15230 -0.61300 58 3PZ -0.31166 -0.42739 0.03039 -0.16766 -1.58763 59 4XX -0.12468 0.17747 0.02588 -0.06089 -0.04817 60 4YY 0.02765 0.07404 0.02270 0.00221 0.01035 61 4ZZ 0.07862 -0.24075 -0.01794 -0.01020 -0.03170 62 4XY 0.03626 -0.27443 -0.25106 -0.04421 -0.01095 63 4XZ -0.03975 -0.15430 0.16090 -0.01529 0.03066 64 4YZ -0.08180 -0.15643 -0.06711 0.02520 -0.15286 65 7 H 1S -0.28092 0.10745 -0.03865 -0.01814 -0.46778 66 2S -0.33240 -0.04677 -0.02679 0.01038 -0.84970 67 8 C 1S 0.03745 0.03225 -0.01139 -0.00246 0.02982 68 2S 0.28292 0.40992 0.05631 -0.20000 0.32311 69 2PX 0.03101 0.07719 -0.07128 -0.15222 0.13226 70 2PY 0.03192 0.01190 0.06517 0.08280 0.09689 71 2PZ -0.09344 0.13767 0.10553 0.08782 -0.06772 72 3S -2.33852 -1.30717 0.46219 2.83209 0.06086 73 3PX 0.51098 0.21459 0.01288 -0.50638 -1.86153 74 3PY -0.29429 -0.28153 0.08342 -1.15235 -0.61297 75 3PZ 0.31168 -0.42729 0.03062 0.16768 1.58768 76 4XX 0.12469 0.17749 0.02592 0.06089 0.04815 77 4YY -0.02765 0.07403 0.02269 -0.00223 -0.01037 78 4ZZ -0.07863 -0.24076 -0.01793 0.01021 0.03173 79 4XY 0.03627 0.27443 0.25104 -0.04433 -0.01100 80 4XZ 0.03975 -0.15430 0.16091 0.01521 -0.03067 81 4YZ -0.08180 0.15643 0.06710 0.02518 -0.15289 82 9 H 1S 0.28093 0.10748 -0.03860 0.01818 0.46778 83 2S 0.33243 -0.04672 -0.02672 -0.01035 0.84972 84 10 C 1S -0.02111 -0.01092 0.00378 0.03607 0.02213 85 2S -0.28661 0.03360 0.15879 0.73597 0.44467 86 2PX -0.11091 0.01455 0.05349 0.15883 -0.00767 87 2PY 0.00314 -0.01758 -0.09068 -0.07248 0.01347 88 2PZ 0.07388 0.07432 -0.06008 -0.03331 0.04116 89 3S 2.60919 -0.25354 -0.01347 -4.36482 -3.33057 90 3PX 0.50427 0.66010 -0.36266 0.29129 0.20804 91 3PY -0.97147 -0.67487 0.58636 2.56414 1.43074 92 3PZ -0.49680 -0.53285 0.23959 -0.55105 -0.57589 93 4XX -0.22561 -0.02492 -0.06236 -0.03409 -0.16434 94 4YY 0.06537 -0.03703 0.00874 -0.03842 0.03802 95 4ZZ 0.19328 0.03106 0.09006 -0.00220 0.09467 96 4XY 0.06969 -0.01790 0.15134 -0.03983 0.02744 97 4XZ -0.05651 -0.10148 0.17709 -0.07780 -0.05261 98 4YZ 0.13457 0.00882 -0.03587 0.04121 0.08223 99 11 O 1S -0.00788 -0.02144 0.01560 -0.00430 0.00139 100 2S -0.12856 -0.38842 0.20266 0.11007 0.15821 101 2PX 0.07735 -0.01125 -0.07542 -0.00932 0.02939 102 2PY -0.03023 -0.06714 0.03882 0.09214 0.11100 103 2PZ 0.00964 -0.01472 0.03119 0.05395 0.05095 104 3S 0.32611 1.23329 -0.74583 0.23453 -0.16553 105 3PX -0.01934 -0.03763 0.10185 0.06995 0.02549 106 3PY 0.21343 0.39763 -0.20335 -0.22340 -0.24500 107 3PZ -0.02995 0.13818 -0.08935 -0.13533 -0.14865 108 4XX 0.07765 -0.10900 -0.01226 0.02932 0.11087 109 4YY -0.00211 -0.13141 0.05193 0.01573 0.05260 110 4ZZ -0.16775 -0.03165 0.13016 -0.01300 -0.07278 111 4XY -0.05283 0.00397 0.11323 -0.01405 -0.08712 112 4XZ -0.02975 -0.04284 0.16027 0.03443 0.01589 113 4YZ -0.07788 -0.04443 -0.06633 0.00528 -0.03662 114 12 O 1S 0.00788 -0.02144 0.01560 0.00429 -0.00139 115 2S 0.12857 -0.38841 0.20261 -0.11016 -0.15818 116 2PX -0.07735 -0.01125 -0.07542 0.00936 -0.02937 117 2PY -0.03022 0.06714 -0.03877 0.09216 0.11100 118 2PZ -0.00964 -0.01472 0.03116 -0.05398 -0.05095 119 3S -0.32616 1.23323 -0.74595 -0.23425 0.16542 120 3PX 0.01935 -0.03764 0.10182 -0.07002 -0.02552 121 3PY 0.21343 -0.39762 0.20323 -0.22348 -0.24498 122 3PZ 0.02995 0.13819 -0.08928 0.13539 0.14866 123 4XX -0.07766 -0.10901 -0.01229 -0.02932 -0.11086 124 4YY 0.00211 -0.13140 0.05193 -0.01575 -0.05258 125 4ZZ 0.16775 -0.03164 0.13018 0.01295 0.07277 126 4XY -0.05283 -0.00398 -0.11324 -0.01399 -0.08710 127 4XZ 0.02975 -0.04284 0.16026 -0.03450 -0.01588 128 4YZ -0.07788 0.04443 0.06632 0.00524 -0.03663 129 13 C 1S 0.01155 -0.01623 0.03218 0.01702 0.03110 130 2S 0.15393 -0.22943 0.37072 0.39229 0.54437 131 2PX -0.05255 0.07332 -0.05988 -0.15111 -0.09527 132 2PY 0.04937 -0.17141 -0.02385 -0.03996 -0.01696 133 2PZ 0.07063 0.00477 -0.05947 0.03878 -0.12977 134 3S -1.47033 0.06355 -1.60013 -2.17980 -0.31170 135 3PX -0.40269 -0.13842 0.34028 0.01424 0.53406 136 3PY -1.15248 0.07011 -0.08628 -0.72497 0.35125 137 3PZ 0.33258 -0.21918 -0.31367 0.10217 0.10824 138 4XX -0.07250 -0.00072 0.06482 -0.18233 0.16588 139 4YY 0.00260 0.10595 -0.14956 0.09002 0.10147 140 4ZZ 0.05858 -0.13175 0.09432 0.05429 -0.26311 141 4XY -0.20952 0.02077 -0.05366 -0.16695 0.11174 142 4XZ -0.07615 -0.05801 0.00951 -0.12141 -0.02427 143 4YZ -0.07458 -0.09073 0.00520 -0.01495 0.03294 144 14 C 1S -0.02200 0.00083 0.00344 -0.02732 0.03053 145 2S -0.31780 0.03312 -0.02571 -0.39342 0.52149 146 2PX 0.03898 0.03382 -0.00938 0.05860 -0.11424 147 2PY 0.03414 -0.01317 0.02489 0.01778 -0.05702 148 2PZ 0.00270 -0.04827 0.01975 -0.00879 -0.03626 149 3S 2.77940 0.01574 0.05738 2.76756 -2.37634 150 3PX -1.27082 0.20851 -0.09041 -1.30029 0.97014 151 3PY 1.34893 -0.20694 0.01635 1.39233 -1.19124 152 3PZ 1.05956 -0.14463 0.09899 1.07488 -0.72663 153 4XX 0.08328 -0.03043 -0.04175 0.12990 -0.15578 154 4YY 0.01427 0.05869 -0.03684 0.01728 -0.01846 155 4ZZ -0.07838 -0.04356 0.08346 -0.12797 0.15124 156 4XY -0.00664 -0.02277 0.01614 0.00002 -0.03231 157 4XZ 0.04120 -0.15026 0.03690 0.07166 -0.16626 158 4YZ -0.00076 0.10693 -0.13184 0.03941 -0.07308 159 15 C 1S 0.02200 0.00083 0.00345 0.02732 -0.03053 160 2S 0.31778 0.03307 -0.02556 0.39342 -0.52151 161 2PX -0.03897 0.03383 -0.00939 -0.05860 0.11424 162 2PY 0.03414 0.01316 -0.02489 0.01779 -0.05701 163 2PZ -0.00270 -0.04827 0.01976 0.00878 0.03626 164 3S -2.77942 0.01601 0.05618 -2.76759 2.37638 165 3PX 1.27079 0.20840 -0.08985 1.30033 -0.97018 166 3PY 1.34888 0.20682 -0.01578 1.39233 -1.19126 167 3PZ -1.05955 -0.14454 0.09851 -1.07493 0.72665 168 4XX -0.08327 -0.03041 -0.04179 -0.12989 0.15580 169 4YY -0.01428 0.05869 -0.03684 -0.01727 0.01846 170 4ZZ 0.07837 -0.04358 0.08350 0.12793 -0.15125 171 4XY -0.00663 0.02277 -0.01614 0.00002 -0.03230 172 4XZ -0.04119 -0.15025 0.03688 -0.07167 0.16626 173 4YZ -0.00076 -0.10694 0.13185 0.03935 -0.07308 174 16 C 1S -0.01155 -0.01624 0.03217 -0.01704 -0.03110 175 2S -0.15397 -0.22948 0.37048 -0.39246 -0.54438 176 2PX 0.05256 0.07333 -0.05980 0.15114 0.09527 177 2PY 0.04937 0.17140 0.02383 -0.03998 -0.01697 178 2PZ -0.07063 0.00478 -0.05947 -0.03876 0.12977 179 3S 1.47047 0.06356 -1.59902 2.18056 0.31176 180 3PX 0.40268 -0.13850 0.34028 -0.01440 -0.53409 181 3PY -1.15246 -0.07005 0.08592 -0.72502 0.35130 182 3PZ -0.33258 -0.21917 -0.31375 -0.10203 -0.10820 183 4XX 0.07250 -0.00074 0.06489 0.18230 -0.16590 184 4YY -0.00261 0.10594 -0.14961 -0.08996 -0.10146 185 4ZZ -0.05857 -0.13172 0.09432 -0.05433 0.26312 186 4XY -0.20951 -0.02075 0.05360 -0.16697 0.11174 187 4XZ 0.07614 -0.05801 0.00957 0.12141 0.02427 188 4YZ -0.07458 0.09074 -0.00519 -0.01495 0.03294 189 17 H 1S -0.13401 -0.15461 0.32450 -0.03528 0.04666 190 2S -0.32544 0.10064 0.20610 0.03420 0.24941 191 18 H 1S 0.25485 -0.22698 0.11194 0.24830 -0.23246 192 2S 0.55765 -0.11208 0.01520 0.56632 -0.36229 193 19 H 1S -0.25483 -0.22695 0.11184 -0.24835 0.23246 194 2S -0.55762 -0.11203 0.01495 -0.56633 0.36231 195 20 H 1S 0.13399 -0.15462 0.32452 0.03513 -0.04669 196 2S 0.32541 0.10060 0.20607 -0.03430 -0.24946 197 21 C 1S 0.00000 -0.04697 -0.05525 0.00001 0.00000 198 2S 0.00002 -0.76797 -0.81198 0.00019 0.00004 199 2PX 0.00001 0.09298 0.09515 -0.00002 0.00000 200 2PY -0.11084 0.00000 -0.00001 -0.00597 -0.04491 201 2PZ 0.00000 0.25947 -0.04516 0.00001 -0.00001 202 3S -0.00007 1.48171 2.84211 -0.00066 -0.00010 203 3PX -0.00005 -0.04761 -0.16425 0.00002 0.00000 204 3PY -0.00895 -0.00002 -0.00012 -0.51468 -0.22472 205 3PZ 0.00000 -0.58249 -0.28567 0.00007 0.00001 206 4XX 0.00000 0.01225 0.03426 -0.00001 0.00000 207 4YY 0.00000 -0.12340 0.21666 -0.00005 0.00000 208 4ZZ 0.00000 0.09173 -0.26546 0.00006 0.00001 209 4XY 0.24108 0.00000 0.00001 0.08428 -0.01973 210 4XZ 0.00001 0.01129 0.16761 -0.00003 -0.00001 211 4YZ 0.17312 0.00000 0.00004 0.19242 -0.01104 212 22 H 1S 0.00000 -0.11928 -0.11600 0.00003 0.00001 213 2S -0.00001 -0.23122 -0.50429 0.00011 0.00002 214 23 H 1S 0.00001 -0.24086 -0.19622 0.00005 0.00002 215 2S 0.00002 0.17089 -0.16591 0.00004 0.00000 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 -0.00603 0.00056 0.00078 -0.00275 -0.01236 2 2S 0.25547 0.01899 0.06251 -0.03722 0.08198 3 2PX 0.12485 -0.00344 0.00146 -0.02900 0.08474 4 2PY 0.13098 0.00536 0.08179 0.02282 0.06395 5 2PZ -0.06556 -0.00731 -0.01149 0.00980 -0.12159 6 3S 0.26514 -0.10012 -1.13171 0.04212 0.18009 7 3PX -0.22505 0.02571 -0.66733 0.05635 0.20027 8 3PY 0.19514 -0.06694 0.38402 -0.10008 0.63580 9 3PZ 0.10419 0.06265 0.50907 -0.02544 -0.04731 10 4XX -0.12832 0.14805 -0.00822 0.03388 0.12283 11 4YY 0.11298 -0.01439 0.03377 0.01052 0.02796 12 4ZZ 0.01134 -0.12287 -0.03372 -0.04959 -0.12205 13 4XY -0.17837 0.02837 0.00093 -0.04843 -0.03968 14 4XZ 0.24497 0.06713 0.00850 -0.07538 0.15132 15 4YZ 0.15476 0.09345 -0.02047 0.01942 0.03894 16 2 H 1S -0.12218 -0.01113 -0.06437 -0.05142 -0.03435 17 2S -0.07440 0.01941 -0.17784 0.04101 -0.06405 18 3 C 1S -0.00603 0.00055 -0.00078 -0.00275 0.01236 19 2S 0.25536 0.01895 -0.06252 -0.03721 -0.08199 20 2PX 0.12483 -0.00344 -0.00146 -0.02900 -0.08474 21 2PY -0.13098 -0.00533 0.08179 -0.02282 0.06395 22 2PZ -0.06555 -0.00731 0.01149 0.00980 0.12159 23 3S 0.26586 -0.09952 1.13177 0.04210 -0.18004 24 3PX -0.22472 0.02606 0.66733 0.05634 -0.20024 25 3PY -0.19490 0.06712 0.38396 0.10009 0.63577 26 3PZ 0.10396 0.06239 -0.50908 -0.02542 0.04732 27 4XX -0.12831 0.14805 0.00817 0.03388 -0.12280 28 4YY 0.11298 -0.01440 -0.03376 0.01052 -0.02796 29 4ZZ 0.01134 -0.12286 0.03376 -0.04959 0.12202 30 4XY 0.17838 -0.02837 0.00095 0.04843 -0.03969 31 4XZ 0.24498 0.06713 -0.00853 -0.07538 -0.15132 32 4YZ -0.15477 -0.09346 -0.02044 -0.01942 0.03894 33 4 H 1S -0.12214 -0.01109 0.06436 -0.05142 0.03435 34 2S -0.07430 0.01951 0.17783 0.04101 0.06404 35 5 C 1S -0.00535 0.00065 0.02428 -0.00115 -0.00542 36 2S 0.02528 0.04842 0.50158 -0.10478 -0.14307 37 2PX -0.25013 0.00686 0.02955 -0.04576 0.06765 38 2PY 0.07533 0.02141 0.17209 -0.02363 0.02470 39 2PZ 0.12586 -0.00886 -0.01625 -0.02874 -0.04255 40 3S -0.18182 -0.09426 -0.03535 0.55976 1.32609 41 3PX 0.87224 -0.15610 -0.29325 0.04740 -0.67539 42 3PY 0.39747 -0.09249 -2.49952 -0.46929 -0.43621 43 3PZ -0.49720 0.10175 0.04309 -0.07813 0.46018 44 4XX 0.02355 0.10665 -0.08495 -0.03916 0.03532 45 4YY -0.03855 0.00633 0.08507 0.04033 -0.02315 46 4ZZ 0.04906 -0.11069 -0.03983 -0.00872 -0.02174 47 4XY 0.18096 -0.00492 -0.04965 0.02899 -0.13776 48 4XZ 0.13752 0.07572 0.13196 -0.07440 -0.12649 49 4YZ -0.21344 -0.00294 0.08508 -0.02558 0.12414 50 6 C 1S -0.00102 -0.00541 0.01066 0.00257 -0.00783 51 2S -0.16403 -0.05888 0.36163 -0.02754 0.06957 52 2PX 0.12932 0.01366 -0.11809 0.04066 -0.13369 53 2PY 0.17924 -0.00296 0.06411 0.01329 0.02446 54 2PZ -0.04990 0.00529 0.09930 -0.00617 0.01912 55 3S -0.17318 0.28258 0.09138 -0.12325 0.42157 56 3PX 0.08211 -0.09215 -0.42522 -0.12429 0.36435 57 3PY -0.18380 -0.09836 -0.19107 0.14433 0.06888 58 3PZ 0.00063 -0.01348 0.10224 0.13534 -0.15817 59 4XX 0.09229 0.09334 -0.04007 -0.11214 -0.15764 60 4YY -0.11270 0.03891 0.02978 0.05633 0.04843 61 4ZZ 0.03127 -0.15256 0.05395 0.01689 0.10147 62 4XY 0.01122 0.02416 0.00173 0.01713 0.03065 63 4XZ -0.08044 0.04900 0.05506 -0.03660 0.03443 64 4YZ -0.12790 0.08129 0.02282 -0.12754 -0.06268 65 7 H 1S -0.00261 -0.02906 0.04978 0.11532 -0.05094 66 2S -0.08276 -0.02180 -0.01788 0.06151 -0.10728 67 8 C 1S -0.00102 -0.00542 -0.01065 0.00257 0.00784 68 2S -0.16403 -0.05904 -0.36160 -0.02750 -0.06955 69 2PX 0.12931 0.01371 0.11809 0.04066 0.13369 70 2PY -0.17925 0.00298 0.06410 -0.01329 0.02445 71 2PZ -0.04990 0.00525 -0.09931 -0.00616 -0.01911 72 3S -0.17339 0.28256 -0.09154 -0.12329 -0.42168 73 3PX 0.08227 -0.09195 0.42525 -0.12435 -0.36435 74 3PY 0.18393 0.09832 -0.19113 -0.14429 0.06884 75 3PZ 0.00051 -0.01352 -0.10223 0.13535 0.15817 76 4XX 0.09228 0.09336 0.04003 -0.11214 0.15763 77 4YY -0.11270 0.03890 -0.02979 0.05634 -0.04844 78 4ZZ 0.03127 -0.15258 -0.05390 0.01689 -0.10145 79 4XY -0.01122 -0.02416 0.00174 -0.01713 0.03063 80 4XZ -0.08043 0.04899 -0.05508 -0.03659 -0.03443 81 4YZ 0.12791 -0.08128 0.02287 0.12753 -0.06265 82 9 H 1S -0.00264 -0.02909 -0.04975 0.11533 0.05097 83 2S -0.08281 -0.02180 0.01790 0.06153 0.10729 84 10 C 1S -0.00536 0.00064 -0.02428 -0.00114 0.00542 85 2S 0.02520 0.04820 -0.50161 -0.10475 0.14305 86 2PX -0.25014 0.00685 -0.02956 -0.04576 -0.06766 87 2PY -0.07532 -0.02134 0.17210 0.02362 0.02471 88 2PZ 0.12586 -0.00886 0.01625 -0.02874 0.04255 89 3S -0.18128 -0.09419 0.03542 0.55972 -1.32607 90 3PX 0.87220 -0.15602 0.29328 0.04739 0.67542 91 3PY -0.39775 0.09140 -2.49958 0.46939 -0.43624 92 3PZ -0.49711 0.10177 -0.04316 -0.07812 -0.46023 93 4XX 0.02356 0.10669 0.08490 -0.03917 -0.03532 94 4YY -0.03854 0.00630 -0.08507 0.04034 0.02316 95 4ZZ 0.04905 -0.11067 0.03988 -0.00872 0.02174 96 4XY -0.18095 0.00490 -0.04967 -0.02898 -0.13775 97 4XZ 0.13754 0.07566 -0.13199 -0.07439 0.12648 98 4YZ 0.21342 0.00297 0.08509 0.02557 0.12415 99 11 O 1S -0.00784 0.00118 0.04915 0.01178 0.01515 100 2S -0.11620 0.03672 0.89607 0.26603 0.33474 101 2PX 0.12950 0.01529 -0.02043 0.03088 -0.06338 102 2PY 0.02141 0.00601 0.07168 0.01854 0.07655 103 2PZ -0.11210 -0.00759 0.04513 -0.01027 0.06341 104 3S 0.52884 -0.10090 -3.16221 -0.89868 -1.13163 105 3PX -0.29749 0.00069 -0.04074 -0.07989 0.15006 106 3PY 0.14033 -0.03124 -0.87463 -0.27230 -0.37088 107 3PZ 0.23106 -0.00827 -0.13792 -0.00382 -0.17296 108 4XX -0.07581 0.43581 0.02566 -0.14101 -0.27117 109 4YY -0.03688 0.02399 0.31982 0.08396 0.09129 110 4ZZ 0.04669 -0.44237 0.18842 0.19434 0.37581 111 4XY -0.09443 -0.09068 0.06848 0.02158 0.17003 112 4XZ 0.08400 0.21046 0.34283 -0.16411 -0.33551 113 4YZ 0.11232 0.04153 -0.10841 0.07650 -0.09225 114 12 O 1S -0.00784 0.00116 -0.04915 0.01178 -0.01515 115 2S -0.11617 0.03635 -0.89608 0.26607 -0.33474 116 2PX 0.12950 0.01529 0.02043 0.03088 0.06338 117 2PY -0.02143 -0.00598 0.07168 -0.01854 0.07655 118 2PZ -0.11209 -0.00761 -0.04513 -0.01026 -0.06342 119 3S 0.52883 -0.09956 3.16224 -0.89879 1.13164 120 3PX -0.29748 0.00072 0.04071 -0.07988 -0.15007 121 3PY -0.14028 0.03087 -0.87463 0.27233 -0.37088 122 3PZ 0.23103 -0.00822 0.13793 -0.00383 0.17298 123 4XX -0.07580 0.43581 -0.02585 -0.14100 0.27119 124 4YY -0.03688 0.02385 -0.31983 0.08398 -0.09130 125 4ZZ 0.04669 -0.44245 -0.18822 0.19435 -0.37582 126 4XY 0.09444 0.09069 0.06843 -0.02158 0.17001 127 4XZ 0.08401 0.21031 -0.34293 -0.16408 0.33551 128 4YZ -0.11232 -0.04158 -0.10839 -0.07649 -0.09227 129 13 C 1S 0.01543 0.00389 -0.01523 0.01249 0.00473 130 2S 0.26193 -0.00761 -0.09677 -0.00847 -0.08195 131 2PX -0.05164 -0.02631 -0.00310 0.01183 0.01634 132 2PY -0.03936 -0.02603 0.01117 -0.02804 -0.05662 133 2PZ -0.03017 -0.01384 0.04089 0.01765 -0.01765 134 3S -0.82640 -0.45898 0.52202 -0.78146 0.25251 135 3PX 0.32027 -0.10928 0.10792 -0.27546 0.13267 136 3PY 0.18829 -0.31017 0.31021 -0.36944 0.23722 137 3PZ -0.06402 0.00207 -0.19467 -0.16438 -0.06542 138 4XX -0.02377 -0.00724 0.04969 0.05797 -0.00455 139 4YY -0.04133 0.03482 -0.01928 -0.01675 0.03281 140 4ZZ 0.06219 -0.05904 -0.01492 -0.04095 -0.02650 141 4XY -0.00402 -0.14050 -0.06435 -0.36596 -0.04623 142 4XZ -0.00373 -0.14591 0.07060 -0.13137 -0.02402 143 4YZ -0.03157 -0.03704 -0.15213 -0.02910 0.09956 144 14 C 1S -0.00058 -0.00503 0.00205 0.00291 0.00556 145 2S -0.03727 -0.12722 -0.06251 -0.18994 0.17195 146 2PX 0.02781 -0.00332 0.02805 -0.04204 -0.03871 147 2PY 0.03146 -0.05861 -0.01545 -0.10874 0.01600 148 2PZ 0.00584 0.01576 0.01028 0.10136 0.01803 149 3S 0.07546 0.23994 -0.34926 0.22449 -0.70694 150 3PX -0.03661 -0.17305 0.16279 -0.23383 0.24156 151 3PY -0.10597 0.14380 -0.12925 0.28134 -0.15228 152 3PZ -0.05117 0.13284 -0.23668 0.15096 -0.13076 153 4XX 0.06108 -0.04355 -0.00877 -0.04705 -0.00201 154 4YY -0.04393 0.08235 -0.01253 0.18550 0.02187 155 4ZZ -0.00872 -0.07944 0.02841 -0.15771 -0.01479 156 4XY -0.00172 0.05479 -0.02494 0.14262 0.01960 157 4XZ 0.02811 -0.05215 0.02450 0.11562 0.00971 158 4YZ -0.01123 -0.09792 -0.01292 -0.21386 -0.00875 159 15 C 1S -0.00058 -0.00503 -0.00205 0.00291 -0.00556 160 2S -0.03726 -0.12720 0.06255 -0.18996 -0.17193 161 2PX 0.02781 -0.00333 -0.02805 -0.04203 0.03871 162 2PY -0.03146 0.05860 -0.01547 0.10874 0.01599 163 2PZ 0.00584 0.01575 -0.01028 0.10136 -0.01802 164 3S 0.07545 0.24013 0.34918 0.22452 0.70692 165 3PX -0.03662 -0.17313 -0.16273 -0.23384 -0.24154 166 3PY 0.10597 -0.14385 -0.12920 -0.28136 -0.15226 167 3PZ -0.05116 0.13295 0.23663 0.15097 0.13075 168 4XX 0.06108 -0.04355 0.00879 -0.04705 0.00200 169 4YY -0.04393 0.08235 0.01250 0.18550 -0.02187 170 4ZZ -0.00872 -0.07945 -0.02838 -0.15771 0.01480 171 4XY 0.00172 -0.05480 -0.02493 -0.14262 0.01961 172 4XZ 0.02810 -0.05217 -0.02447 0.11563 -0.00969 173 4YZ 0.01123 0.09791 -0.01295 0.21386 -0.00876 174 16 C 1S 0.01543 0.00390 0.01523 0.01249 -0.00473 175 2S 0.26199 -0.00754 0.09678 -0.00849 0.08194 176 2PX -0.05166 -0.02631 0.00311 0.01184 -0.01634 177 2PY 0.03937 0.02603 0.01117 0.02804 -0.05662 178 2PZ -0.03017 -0.01386 -0.04088 0.01765 0.01765 179 3S -0.82655 -0.45928 -0.52191 -0.78142 -0.25247 180 3PX 0.32033 -0.10933 -0.10788 -0.27546 -0.13267 181 3PY -0.18830 0.31033 0.31010 0.36942 0.23720 182 3PZ -0.06401 0.00218 0.19464 -0.16440 0.06541 183 4XX -0.02377 -0.00726 -0.04968 0.05797 0.00455 184 4YY -0.04132 0.03484 0.01926 -0.01676 -0.03281 185 4ZZ 0.06218 -0.05904 0.01494 -0.04095 0.02651 186 4XY 0.00403 0.14047 -0.06439 0.36597 -0.04623 187 4XZ -0.00374 -0.14594 -0.07054 -0.13137 0.02404 188 4YZ 0.03158 0.03697 -0.15214 0.02911 0.09956 189 17 H 1S 0.15169 -0.00268 0.04233 0.06607 0.03189 190 2S 0.22091 -0.11877 0.01244 -0.05622 0.08993 191 18 H 1S -0.01550 0.09781 -0.03569 0.30964 0.02758 192 2S -0.04042 0.05264 -0.09490 0.04621 -0.03800 193 19 H 1S -0.01550 0.09782 0.03566 0.30964 -0.02758 194 2S -0.04041 0.05268 0.09488 0.04621 0.03799 195 20 H 1S 0.15169 -0.00270 -0.04232 0.06607 -0.03188 196 2S 0.22094 -0.11878 -0.01238 -0.05622 -0.08993 197 21 C 1S -0.02085 -0.00776 0.00000 -0.01070 0.00000 198 2S -0.26803 -0.33434 0.00005 -0.52763 0.00000 199 2PX 0.02014 0.00992 0.00000 -0.08369 0.00000 200 2PY 0.00000 0.00000 -0.03376 0.00000 0.08494 201 2PZ -0.00795 0.05287 -0.00001 0.09109 0.00000 202 3S 0.87895 0.94744 -0.00013 1.42940 0.00000 203 3PX -0.13725 0.30314 -0.00003 1.05757 -0.00001 204 3PY 0.00003 0.00001 0.01453 -0.00001 -0.09906 205 3PZ -0.13120 -0.22205 0.00004 -0.19495 0.00001 206 4XX 0.03298 -0.11172 0.00002 -0.20664 0.00000 207 4YY 0.08932 0.03581 -0.00001 0.02321 0.00000 208 4ZZ -0.11499 0.08458 -0.00002 0.19142 0.00000 209 4XY -0.00001 0.00003 0.14180 0.00000 -0.06371 210 4XZ 0.09662 -0.02571 0.00001 -0.02343 0.00000 211 4YZ -0.00001 -0.00002 -0.12177 0.00000 0.13077 212 22 H 1S -0.13286 0.12951 -0.00002 0.28064 0.00000 213 2S -0.02403 -0.09788 0.00002 0.14296 -0.00001 214 23 H 1S -0.06570 -0.09292 0.00001 -0.26384 0.00000 215 2S -0.03923 -0.10745 0.00001 -0.34228 0.00000 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 0.00106 0.01244 -0.00355 -0.00195 -0.01854 2 2S 0.11803 -0.12424 -0.06851 0.06447 -0.01870 3 2PX 0.01723 -0.14859 0.01119 0.02944 0.05333 4 2PY 0.01772 -0.06170 0.00503 0.00493 -0.06262 5 2PZ 0.01590 0.06648 -0.00008 0.01145 -0.04245 6 3S -0.38442 -0.13378 -0.18113 -0.22552 2.40522 7 3PX -0.21693 -0.11325 0.20174 0.10225 1.06249 8 3PY -0.12916 -0.58987 0.57736 -0.21321 -0.87840 9 3PZ -0.02558 0.25439 -0.18332 0.04571 -0.75222 10 4XX -0.27394 0.14958 -0.04020 0.21724 -0.02447 11 4YY -0.00890 -0.03344 -0.00755 -0.05748 0.06107 12 4ZZ 0.28244 -0.14413 0.07161 -0.15017 -0.02662 13 4XY -0.15763 0.08007 -0.01889 0.02609 0.00947 14 4XZ -0.05032 -0.12872 0.06389 -0.00811 0.11255 15 4YZ 0.00146 0.00010 0.00682 0.10818 -0.01372 16 2 H 1S -0.05914 -0.02714 0.00361 -0.02674 0.21226 17 2S 0.01292 0.02674 -0.02033 0.06334 0.36424 18 3 C 1S 0.00106 -0.01244 0.00355 -0.00195 0.01853 19 2S 0.11804 0.12421 0.06849 0.06448 0.01870 20 2PX 0.01725 0.14859 -0.01119 0.02943 -0.05343 21 2PY -0.01772 -0.06171 0.00503 -0.00495 -0.06255 22 2PZ 0.01590 -0.06648 0.00008 0.01146 0.04250 23 3S -0.38433 0.13383 0.18112 -0.22625 -2.40462 24 3PX -0.21690 0.11329 -0.20171 0.10190 -1.06280 25 3PY 0.12917 -0.58986 0.57740 0.21299 -0.87916 26 3PZ -0.02564 -0.25440 0.18330 0.04596 0.75238 27 4XX -0.27397 -0.14954 0.04017 0.21726 0.02449 28 4YY -0.00890 0.03343 0.00756 -0.05750 -0.06108 29 4ZZ 0.28247 0.14409 -0.07160 -0.15017 0.02661 30 4XY 0.15765 0.08003 -0.01890 -0.02609 0.00971 31 4XZ -0.05031 0.12874 -0.06388 -0.00816 -0.11272 32 4YZ -0.00145 0.00011 0.00685 -0.10819 -0.01384 33 4 H 1S -0.05912 0.02717 -0.00357 -0.02681 -0.21271 34 2S 0.01293 -0.02673 0.02033 0.06323 -0.36443 35 5 C 1S -0.00256 0.00382 -0.01502 0.00886 -0.00607 36 2S 0.22601 0.03803 -0.35016 0.25586 -0.07303 37 2PX 0.07967 -0.09556 -0.05233 0.03257 0.06182 38 2PY 0.06709 0.00480 -0.06764 0.03078 -0.11017 39 2PZ 0.03306 0.03531 -0.02437 -0.05473 -0.03862 40 3S -0.69484 -0.52562 1.81111 -0.74200 -0.81480 41 3PX -0.35572 1.06150 0.03733 -0.96551 -0.92304 42 3PY 0.17002 0.49372 -0.78010 -0.62329 2.28958 43 3PZ 0.61471 -0.50179 -0.06620 0.10425 0.91525 44 4XX -0.03693 0.07042 0.00609 -0.13391 -0.02861 45 4YY -0.00016 -0.02809 0.07935 0.11407 0.02785 46 4ZZ 0.03730 -0.02420 -0.07942 -0.00912 0.05396 47 4XY 0.07644 0.21834 0.04126 -0.10698 -0.19841 48 4XZ 0.13053 0.14589 -0.15982 0.07227 0.15740 49 4YZ 0.13242 -0.14445 0.01306 -0.07979 0.13010 50 6 C 1S -0.02122 0.00640 0.00907 -0.03774 -0.02526 51 2S -0.21104 -0.11873 0.14793 -0.38417 0.05763 52 2PX -0.02370 0.09665 0.11647 -0.10654 -0.03403 53 2PY 0.00089 0.05782 0.00199 0.00138 -0.13661 54 2PZ -0.05070 -0.07080 -0.03386 -0.02056 0.07887 55 3S 1.06562 -0.79537 -0.15421 1.68368 -0.21135 56 3PX -0.06054 0.25253 -0.22983 0.02049 -0.18112 57 3PY -0.49047 -0.28085 0.69067 -0.43445 -0.99967 58 3PZ -0.10565 -0.35392 0.24468 0.45868 -0.14207 59 4XX 0.12534 -0.03925 -0.03035 -0.09722 -0.08240 60 4YY -0.00311 -0.03254 -0.00613 -0.13454 -0.00729 61 4ZZ -0.10493 0.06043 0.00601 0.26632 0.07129 62 4XY -0.07399 -0.02521 0.02289 -0.06191 -0.11177 63 4XZ 0.02189 -0.15071 -0.12565 0.03647 0.09030 64 4YZ 0.28105 -0.07282 0.02889 -0.08152 0.01031 65 7 H 1S -0.31241 -0.11841 0.11596 -0.14410 -0.11728 66 2S -0.15850 -0.18467 0.23584 -0.13505 -0.07943 67 8 C 1S -0.02122 -0.00640 -0.00907 -0.03773 0.02529 68 2S -0.21104 0.11875 -0.14790 -0.38420 -0.05721 69 2PX -0.02371 -0.09664 -0.11646 -0.10654 0.03401 70 2PY -0.00087 0.05783 0.00200 -0.00143 -0.13659 71 2PZ -0.05069 0.07080 0.03386 -0.02058 -0.07880 72 3S 1.06571 0.79526 0.15410 1.68374 0.20978 73 3PX -0.06054 -0.25255 0.22982 0.02060 0.18143 74 3PY 0.49046 -0.28093 0.69061 0.43422 -0.99992 75 3PZ -0.10559 0.35395 -0.24470 0.45870 0.14159 76 4XX 0.12536 0.03924 0.03038 -0.09719 0.08230 77 4YY -0.00311 0.03254 0.00614 -0.13453 0.00743 78 4ZZ -0.10495 -0.06041 -0.00605 0.26629 -0.07137 79 4XY 0.07398 -0.02522 0.02289 0.06187 -0.11183 80 4XZ 0.02192 0.15070 0.12562 0.03646 -0.09016 81 4YZ -0.28107 -0.07278 0.02888 0.08153 0.01029 82 9 H 1S -0.31239 0.11846 -0.11595 -0.14407 0.11741 83 2S -0.15847 0.18470 -0.23582 -0.13506 0.07942 84 10 C 1S -0.00256 -0.00382 0.01502 0.00886 0.00605 85 2S 0.22602 -0.03806 0.35013 0.25591 0.07301 86 2PX 0.07968 0.09555 0.05233 0.03256 -0.06185 87 2PY -0.06709 0.00481 -0.06764 -0.03082 -0.11018 88 2PZ 0.03306 -0.03531 0.02437 -0.05471 0.03869 89 3S -0.69490 0.52572 -1.81098 -0.74189 0.81461 90 3PX -0.35585 -1.06146 -0.03729 -0.96520 0.92400 91 3PY -0.17009 0.49386 -0.78004 0.62396 2.28806 92 3PZ 0.61476 0.50171 0.06621 0.10397 -0.91564 93 4XX -0.03695 -0.07040 -0.00607 -0.13389 0.02862 94 4YY -0.00016 0.02808 -0.07936 0.11404 -0.02789 95 4ZZ 0.03732 0.02420 0.07941 -0.00913 -0.05392 96 4XY -0.07641 0.21835 0.04125 0.10693 -0.19840 97 4XZ 0.13052 -0.14592 0.15981 0.07224 -0.15734 98 4YZ -0.13244 -0.14443 0.01305 0.07983 0.13008 99 11 O 1S -0.00728 -0.01091 0.02339 0.00906 -0.03878 100 2S -0.13035 -0.16503 0.39471 0.10219 -0.77044 101 2PX 0.04307 0.13189 0.01451 -0.06968 -0.10875 102 2PY -0.03741 -0.01046 -0.00296 -0.04561 -0.09481 103 2PZ 0.06427 -0.07015 -0.00563 -0.06098 0.08114 104 3S 0.49755 0.72882 -1.61126 -0.48668 2.84793 105 3PX 0.00217 -0.31113 -0.08557 0.20914 0.37383 106 3PY 0.17066 0.21074 -0.47575 -0.10639 0.77511 107 3PZ -0.15432 0.18278 -0.02115 0.06100 -0.17768 108 4XX -0.16788 -0.42938 0.17534 -0.05893 -0.17020 109 4YY 0.01937 -0.03551 0.10733 0.02242 -0.25782 110 4ZZ 0.06206 0.36281 -0.06711 0.08739 0.00129 111 4XY -0.10303 -0.13445 0.02761 0.14036 0.12258 112 4XZ -0.01793 0.00945 -0.31392 0.04549 0.08419 113 4YZ -0.19037 0.07653 0.08362 0.14960 -0.13214 114 12 O 1S -0.00728 0.01091 -0.02339 0.00907 0.03875 115 2S -0.13039 0.16508 -0.39468 0.10240 0.76997 116 2PX 0.04305 -0.13189 -0.01450 -0.06965 0.10875 117 2PY 0.03742 -0.01047 -0.00296 0.04557 -0.09479 118 2PZ 0.06427 0.07014 0.00564 -0.06100 -0.08112 119 3S 0.49767 -0.72899 1.61115 -0.48745 -2.84611 120 3PX 0.00221 0.31113 0.08553 0.20903 -0.37385 121 3PY -0.17069 0.21078 -0.47572 0.10659 0.77464 122 3PZ -0.15433 -0.18276 0.02114 0.06106 0.17774 123 4XX -0.16778 0.42940 -0.17533 -0.05890 0.17016 124 4YY 0.01935 0.03552 -0.10732 0.02250 0.25768 125 4ZZ 0.06196 -0.36282 0.06710 0.08740 -0.00136 126 4XY 0.10303 -0.13448 0.02762 -0.14031 0.12266 127 4XZ -0.01789 -0.00945 0.31391 0.04549 -0.08418 128 4YZ 0.19038 0.07650 0.08362 -0.14964 -0.13209 129 13 C 1S 0.00337 -0.00387 -0.00940 0.02909 0.00481 130 2S -0.00641 0.18107 0.26653 0.32467 0.38852 131 2PX -0.07912 -0.04206 -0.09940 -0.08146 -0.06304 132 2PY -0.05160 0.01255 0.12694 -0.04243 0.16578 133 2PZ 0.02767 0.02560 0.13275 0.00259 0.05905 134 3S -0.34009 -0.39383 -0.49871 -1.64351 -1.40310 135 3PX -0.01051 0.08615 0.06681 -0.11441 -0.42239 136 3PY -0.15472 0.03451 -0.69433 -0.97331 -1.09491 137 3PZ 0.19834 -0.01661 -0.21605 0.45110 0.30048 138 4XX -0.04233 0.00431 0.04036 -0.10268 0.01803 139 4YY 0.06517 -0.00958 -0.02332 0.14426 -0.12001 140 4ZZ -0.07819 -0.02231 -0.02511 -0.10705 0.06540 141 4XY 0.00780 0.03151 0.06352 0.14944 0.17925 142 4XZ -0.21043 0.01017 0.13961 -0.19276 -0.02105 143 4YZ -0.00852 -0.11018 -0.30041 -0.10082 -0.09799 144 14 C 1S -0.01199 0.00074 -0.00200 -0.01691 -0.00887 145 2S -0.13178 -0.12299 -0.26514 -0.03774 -0.36077 146 2PX 0.02175 0.04396 0.05478 -0.01068 0.07178 147 2PY -0.05269 -0.04064 -0.11067 0.00847 -0.06648 148 2PZ -0.03578 -0.02628 -0.02210 -0.00643 -0.08474 149 3S 0.29217 0.26679 1.06517 0.85535 2.21525 150 3PX -0.21684 -0.16625 -0.34473 -0.48151 -0.84708 151 3PY 0.08849 0.05885 0.61711 -0.00443 0.75802 152 3PZ 0.16248 0.07599 0.19939 0.29910 0.77351 153 4XX 0.00276 0.02549 0.05782 0.18477 -0.00765 154 4YY 0.05018 -0.03387 -0.07122 -0.13592 -0.08004 155 4ZZ -0.12420 0.00889 0.03018 -0.08522 0.07930 156 4XY 0.07211 -0.03666 -0.11123 0.02922 -0.01767 157 4XZ -0.18043 -0.00701 -0.01926 -0.21252 -0.07585 158 4YZ -0.07838 0.00218 0.01050 -0.03505 0.02298 159 15 C 1S -0.01199 -0.00074 0.00200 -0.01691 0.00888 160 2S -0.13178 0.12302 0.26515 -0.03758 0.36078 161 2PX 0.02174 -0.04396 -0.05478 -0.01071 -0.07176 162 2PY 0.05269 -0.04065 -0.11067 -0.00851 -0.06646 163 2PZ -0.03578 0.02629 0.02210 -0.00639 0.08472 164 3S 0.29226 -0.26684 -1.06527 0.85450 -2.21567 165 3PX -0.21686 0.16629 0.34478 -0.48118 0.84732 166 3PY -0.08851 0.05887 0.61711 0.00476 0.75799 167 3PZ 0.16251 -0.07602 -0.19943 0.29882 -0.77362 168 4XX 0.00275 -0.02549 -0.05784 0.18476 0.00754 169 4YY 0.05018 0.03385 0.07122 -0.13588 0.08012 170 4ZZ -0.12419 -0.00886 -0.03017 -0.08524 -0.07926 171 4XY -0.07212 -0.03665 -0.11123 -0.02923 -0.01762 172 4XZ -0.18043 0.00704 0.01928 -0.21250 0.07593 173 4YZ 0.07838 0.00217 0.01050 0.03506 0.02293 174 16 C 1S 0.00338 0.00387 0.00940 0.02909 -0.00483 175 2S -0.00640 -0.18106 -0.26656 0.32452 -0.38877 176 2PX -0.07911 0.04207 0.09939 -0.08142 0.06314 177 2PY 0.05159 0.01254 0.12694 0.04250 0.16576 178 2PZ 0.02767 -0.02561 -0.13274 0.00255 -0.05906 179 3S -0.34016 0.39390 0.49890 -1.64301 1.40412 180 3PX -0.01055 -0.08614 -0.06677 -0.11430 0.42229 181 3PY 0.15481 0.03449 -0.69444 0.97288 -1.09535 182 3PZ 0.19838 0.01658 0.21599 0.45103 -0.30066 183 4XX -0.04232 -0.00430 -0.04035 -0.10268 -0.01796 184 4YY 0.06517 0.00957 0.02329 0.14430 0.11996 185 4ZZ -0.07819 0.02232 0.02513 -0.10707 -0.06538 186 4XY -0.00781 0.03151 0.06353 -0.14938 0.17934 187 4XZ -0.21043 -0.01013 -0.13958 -0.19276 0.02111 188 4YZ 0.00850 -0.11018 -0.30041 0.10075 -0.09806 189 17 H 1S -0.08126 -0.01905 -0.15809 -0.24174 -0.13478 190 2S -0.02117 0.12304 -0.17193 -0.20718 -0.22554 191 18 H 1S 0.02673 -0.02420 -0.03939 -0.04592 0.01697 192 2S 0.08666 0.04844 0.15772 0.12641 0.32532 193 19 H 1S 0.02673 0.02419 0.03939 -0.04592 -0.01698 194 2S 0.08667 -0.04846 -0.15774 0.12628 -0.32534 195 20 H 1S -0.08126 0.01906 0.15812 -0.24168 0.13483 196 2S -0.02121 -0.12305 0.17195 -0.20709 0.22562 197 21 C 1S 0.01133 0.00000 0.00000 -0.01333 0.00001 198 2S 0.07863 0.00000 0.00000 0.08346 0.00000 199 2PX -0.03345 0.00000 0.00000 0.02086 0.00000 200 2PY 0.00000 -0.07735 -0.29914 -0.00005 -0.23421 201 2PZ 0.04735 -0.00001 0.00000 -0.08355 0.00004 202 3S -0.25392 0.00001 -0.00005 0.98520 -0.00041 203 3PX 0.11116 -0.00002 -0.00004 0.31343 -0.00007 204 3PY 0.00000 -0.02426 0.01516 0.00003 0.18421 205 3PZ -0.25573 0.00003 0.00005 -0.67648 0.00011 206 4XX -0.09237 0.00001 0.00002 -0.14745 0.00001 207 4YY 0.00448 0.00000 0.00000 -0.12125 0.00004 208 4ZZ 0.07872 -0.00001 -0.00001 0.25796 -0.00006 209 4XY 0.00001 0.13027 0.16229 0.00005 0.20085 210 4XZ -0.09994 0.00001 0.00001 -0.20622 0.00005 211 4YZ 0.00000 -0.09672 -0.36566 -0.00005 -0.19407 212 22 H 1S 0.00480 0.00000 0.00000 -0.05460 0.00003 213 2S 0.27348 -0.00002 -0.00003 0.26387 0.00000 214 23 H 1S 0.10466 -0.00001 -0.00001 0.04155 0.00001 215 2S 0.02583 0.00000 0.00000 0.00629 0.00004 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 -0.00875 0.01325 0.00638 0.01460 0.01387 2 2S 0.04120 0.18680 -0.07394 0.06401 0.21481 3 2PX -0.11725 0.02475 0.03070 -0.02414 0.01549 4 2PY -0.08780 0.02025 -0.01364 -0.06208 -0.01328 5 2PZ 0.08013 -0.01233 -0.01646 -0.00263 -0.00147 6 3S 0.67768 -0.76085 -0.05584 -0.08712 -0.83601 7 3PX -0.32173 -0.01283 -0.14288 -0.22342 -0.26116 8 3PY 0.95106 -0.44087 0.25571 0.39204 -0.16416 9 3PZ 0.24077 0.01610 0.09556 0.14378 0.23921 10 4XX 0.15467 -0.00657 -0.11201 -0.02795 -0.00408 11 4YY -0.05472 -0.06920 0.12923 0.00186 -0.00456 12 4ZZ -0.06992 0.08962 -0.03118 0.05963 -0.00341 13 4XY -0.31409 0.03141 0.17975 0.03784 -0.03560 14 4XZ -0.24438 0.17490 0.13393 0.13460 0.21951 15 4YZ 0.21686 -0.01569 -0.13117 -0.06136 0.05102 16 2 H 1S -0.61592 0.20854 0.15949 0.02710 0.07700 17 2S -0.21407 0.14106 -0.14118 -0.11769 -0.02206 18 3 C 1S -0.00876 0.01325 0.00638 0.01460 0.01386 19 2S 0.04121 0.18680 -0.07393 0.06403 0.21467 20 2PX -0.11721 0.02474 0.03070 -0.02413 0.01550 21 2PY 0.08784 -0.02026 0.01365 0.06209 0.01320 22 2PZ 0.08010 -0.01232 -0.01646 -0.00263 -0.00148 23 3S 0.67928 -0.76113 -0.05590 -0.08726 -0.83468 24 3PX -0.32106 -0.01294 -0.14292 -0.22346 -0.26083 25 3PY -0.95048 0.44077 -0.25573 -0.39211 0.16482 26 3PZ 0.24027 0.01619 0.09558 0.14379 0.23904 27 4XX 0.15467 -0.00657 -0.11202 -0.02796 -0.00399 28 4YY -0.05469 -0.06921 0.12924 0.00187 -0.00458 29 4ZZ -0.06994 0.08963 -0.03118 0.05963 -0.00346 30 4XY 0.31407 -0.03141 -0.17975 -0.03785 0.03568 31 4XZ -0.24430 0.17489 0.13393 0.13461 0.21942 32 4YZ -0.21684 0.01568 0.13117 0.06136 -0.05104 33 4 H 1S -0.61578 0.20852 0.15949 0.02711 0.07692 34 2S -0.21383 0.14102 -0.14119 -0.11770 -0.02194 35 5 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 36 2S 0.06291 -0.11570 0.01134 -0.18256 0.21504 37 2PX -0.03348 0.01129 0.05512 -0.00332 0.12674 38 2PY 0.01621 0.01564 -0.01070 -0.01973 0.13999 39 2PZ 0.08173 -0.00969 -0.01602 0.01377 -0.03462 40 3S -0.44545 0.86662 -1.29690 0.07585 -0.31911 41 3PX 0.78959 -0.24856 -0.12362 0.59466 -0.65603 42 3PY 1.70468 -0.23171 1.47723 1.49933 0.85172 43 3PZ -0.50537 0.13951 0.12348 -0.16044 0.30583 44 4XX -0.03052 0.02245 0.10968 0.16164 -0.00868 45 4YY -0.00714 -0.02278 -0.21041 -0.21012 -0.10546 46 4ZZ 0.05061 0.06833 0.16197 0.15339 0.13941 47 4XY -0.07211 0.00343 -0.03715 -0.03114 -0.07031 48 4XZ 0.10857 0.04360 -0.01436 0.01748 0.07259 49 4YZ -0.00321 -0.02096 -0.04737 -0.01800 -0.03610 50 6 C 1S 0.02433 0.00933 0.00692 0.03490 -0.01831 51 2S 0.47156 0.18976 -0.15557 0.44595 -0.11415 52 2PX -0.07551 -0.01015 -0.02076 0.05475 -0.00710 53 2PY -0.00398 0.08138 0.07668 0.00969 -0.10528 54 2PZ 0.09715 -0.01024 -0.02591 0.03817 -0.01544 55 3S -1.49404 -0.22682 0.30042 -1.57763 0.64758 56 3PX 0.48953 0.07404 0.18729 0.15318 0.30831 57 3PY 0.15840 -0.00002 -0.46429 0.25997 -0.30393 58 3PZ -0.44551 0.05944 0.00366 -0.28384 -0.20961 59 4XX -0.13973 0.15508 0.00569 -0.08237 -0.27942 60 4YY 0.06845 -0.22622 0.00630 0.04372 0.18686 61 4ZZ 0.04493 0.13658 0.05057 0.01858 0.03901 62 4XY 0.02814 -0.09155 0.10228 0.09513 -0.15727 63 4XZ 0.23037 0.13401 0.21280 0.21072 -0.05738 64 4YZ -0.04345 -0.02412 -0.11336 -0.07245 0.26288 65 7 H 1S 0.14651 0.03204 0.06184 0.24197 -0.36798 66 2S -0.06235 0.08099 -0.10559 0.12330 -0.15554 67 8 C 1S 0.02432 0.00933 0.00692 0.03490 -0.01828 68 2S 0.47159 0.18975 -0.15559 0.44592 -0.11379 69 2PX -0.07555 -0.01014 -0.02076 0.05474 -0.00708 70 2PY 0.00408 -0.08140 -0.07668 -0.00968 0.10523 71 2PZ 0.09721 -0.01025 -0.02591 0.03817 -0.01541 72 3S -1.49408 -0.22680 0.30054 -1.57737 0.64546 73 3PX 0.48936 0.07405 0.18727 0.15306 0.30881 74 3PY -0.15769 -0.00011 0.46430 -0.26003 0.30449 75 3PZ -0.44559 0.05946 0.00369 -0.28378 -0.21009 76 4XX -0.13979 0.15509 0.00569 -0.08236 -0.27950 77 4YY 0.06844 -0.22622 0.00631 0.04372 0.18687 78 4ZZ 0.04498 0.13657 0.05057 0.01857 0.03905 79 4XY -0.02806 0.09152 -0.10227 -0.09511 0.15715 80 4XZ 0.23044 0.13400 0.21280 0.21072 -0.05728 81 4YZ 0.04343 0.02412 0.11336 0.07244 -0.26288 82 9 H 1S 0.14643 0.03206 0.06184 0.24196 -0.36790 83 2S -0.06241 0.08101 -0.10559 0.12332 -0.15565 84 10 C 1S -0.01701 -0.00675 0.02112 0.00077 -0.00869 85 2S 0.06289 -0.11569 0.01136 -0.18254 0.21491 86 2PX -0.03343 0.01128 0.05512 -0.00332 0.12675 87 2PY -0.01613 -0.01565 0.01070 0.01974 -0.14007 88 2PZ 0.08171 -0.00969 -0.01602 0.01377 -0.03461 89 3S -0.44619 0.86672 -1.29703 0.07568 -0.31834 90 3PX 0.78882 -0.24843 -0.12370 0.59454 -0.65575 91 3PY -1.70628 0.23200 -1.47720 -1.49926 -0.85279 92 3PZ -0.50470 0.13940 0.12349 -0.16040 0.30577 93 4XX -0.03055 0.02245 0.10968 0.16162 -0.00856 94 4YY -0.00713 -0.02279 -0.21041 -0.21009 -0.10571 95 4ZZ 0.05065 0.06832 0.16197 0.15337 0.13959 96 4XY 0.07226 -0.00345 0.03714 0.03113 0.07033 97 4XZ 0.10868 0.04358 -0.01435 0.01748 0.07260 98 4YZ 0.00311 0.02097 0.04737 0.01799 0.03614 99 11 O 1S -0.02977 0.01252 -0.03347 -0.02280 -0.01665 100 2S -0.56610 0.10292 -0.45310 -0.40084 -0.23927 101 2PX -0.03699 -0.00252 0.00380 0.01008 -0.00923 102 2PY -0.05041 0.01314 0.10434 0.09228 0.05929 103 2PZ 0.00515 -0.00252 0.00876 0.02473 -0.02130 104 3S 2.13732 -0.54293 2.10042 1.69607 1.08366 105 3PX 0.03008 0.01476 0.09154 -0.02145 0.15287 106 3PY 0.58174 -0.15183 0.53731 0.41603 0.27171 107 3PZ 0.10568 -0.02164 0.03587 0.03239 0.03005 108 4XX -0.06844 0.22584 -0.14712 0.05486 0.02449 109 4YY -0.17367 0.00137 -0.17053 -0.17717 -0.08449 110 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05194 111 4XY -0.03453 0.06230 -0.00025 -0.03579 -0.00360 112 4XZ -0.02906 -0.48627 0.25449 -0.13418 -0.10425 113 4YZ 0.00440 0.02170 -0.04287 -0.01977 0.09504 114 12 O 1S -0.02980 0.01252 -0.03347 -0.02280 -0.01666 115 2S -0.56665 0.10302 -0.45311 -0.40086 -0.23929 116 2PX -0.03707 -0.00251 0.00380 0.01007 -0.00921 117 2PY 0.05048 -0.01315 -0.10433 -0.09225 -0.05947 118 2PZ 0.00521 -0.00253 0.00876 0.02473 -0.02128 119 3S 2.13937 -0.54328 2.10045 1.69609 1.08429 120 3PX 0.03035 0.01471 0.09153 -0.02144 0.15283 121 3PY -0.58231 0.15192 -0.53732 -0.41605 -0.27178 122 3PZ 0.10555 -0.02162 0.03587 0.03238 0.03007 123 4XX -0.06857 0.22586 -0.14713 0.05485 0.02455 124 4YY -0.17386 0.00141 -0.17053 -0.17718 -0.08452 125 4ZZ -0.07109 -0.11660 0.08553 -0.03184 -0.05196 126 4XY 0.03443 -0.06230 0.00025 0.03578 0.00361 127 4XZ -0.02899 -0.48628 0.25450 -0.13418 -0.10426 128 4YZ -0.00430 -0.02170 0.04287 0.01978 -0.09503 129 13 C 1S -0.01530 0.00033 0.00419 -0.01647 0.01428 130 2S -0.16885 0.07906 0.07454 -0.44109 0.35251 131 2PX 0.10256 0.01043 0.10048 -0.15543 0.12806 132 2PY 0.00719 -0.01620 0.00250 -0.04039 0.08590 133 2PZ -0.03933 -0.07777 -0.11059 0.19700 -0.06192 134 3S 0.59418 -0.11667 -0.33387 0.98690 -1.18246 135 3PX -0.17786 0.09056 -0.30438 0.06389 -0.34706 136 3PY 0.15309 0.05306 -0.20629 0.20917 -0.81901 137 3PZ -0.04779 0.09794 0.40448 -0.33457 0.12535 138 4XX 0.03805 -0.08521 -0.12046 0.13349 0.02104 139 4YY 0.01019 0.05104 0.11817 -0.11833 0.04097 140 4ZZ -0.02309 0.03271 0.01307 -0.03770 -0.05329 141 4XY -0.05353 -0.03283 -0.04735 0.07132 -0.02387 142 4XZ -0.00288 -0.06253 -0.06267 -0.04845 0.19940 143 4YZ 0.06850 0.11264 0.15286 -0.12295 -0.01402 144 14 C 1S 0.00557 -0.00391 -0.00504 0.00451 0.00861 145 2S 0.00232 -0.06444 -0.04488 -0.05813 0.29016 146 2PX 0.04058 0.03119 -0.02274 0.03135 -0.15705 147 2PY -0.02517 -0.05970 -0.10958 0.08729 -0.04190 148 2PZ -0.04828 -0.03123 0.00636 0.01192 0.08823 149 3S -0.17916 0.03733 0.36197 -0.40250 0.21102 150 3PX 0.12670 -0.01077 -0.11076 -0.05932 0.00262 151 3PY 0.03483 0.07685 0.09960 0.06868 0.03880 152 3PZ -0.01663 0.00820 0.08272 0.07145 0.02170 153 4XX -0.09274 -0.08651 -0.10184 0.16944 0.03597 154 4YY 0.05643 0.07925 0.15456 -0.16944 0.06228 155 4ZZ 0.04735 -0.00786 -0.08177 0.02770 -0.10288 156 4XY -0.09791 -0.10405 -0.10695 0.27207 -0.05293 157 4XZ 0.00302 -0.03824 0.02246 -0.03523 0.20536 158 4YZ 0.08992 0.06033 0.02743 -0.21664 0.01612 159 15 C 1S 0.00556 -0.00391 -0.00504 0.00451 0.00862 160 2S 0.00208 -0.06440 -0.04487 -0.05814 0.29012 161 2PX 0.04063 0.03118 -0.02274 0.03135 -0.15700 162 2PY 0.02521 0.05969 0.10958 -0.08729 0.04191 163 2PZ -0.04834 -0.03122 0.00636 0.01192 0.08820 164 3S -0.17766 0.03703 0.36199 -0.40236 0.21066 165 3PX 0.12613 -0.01066 -0.11076 -0.05936 0.00274 166 3PY -0.03532 -0.07675 -0.09959 -0.06872 -0.03880 167 3PZ -0.01610 0.00809 0.08273 0.07149 0.02168 168 4XX -0.09275 -0.08651 -0.10185 0.16943 0.03596 169 4YY 0.05638 0.07926 0.15456 -0.16944 0.06225 170 4ZZ 0.04741 -0.00788 -0.08177 0.02771 -0.10285 171 4XY 0.09791 0.10405 0.10695 -0.27206 0.05289 172 4XZ 0.00297 -0.03823 0.02246 -0.03522 0.20535 173 4YZ -0.08994 -0.06033 -0.02743 0.21664 -0.01614 174 16 C 1S -0.01529 0.00033 0.00419 -0.01647 0.01426 175 2S -0.16860 0.07901 0.07455 -0.44106 0.35238 176 2PX 0.10253 0.01044 0.10048 -0.15543 0.12805 177 2PY -0.00729 0.01622 -0.00250 0.04038 -0.08591 178 2PZ -0.03929 -0.07778 -0.11060 0.19700 -0.06190 179 3S 0.59324 -0.11648 -0.33391 0.98680 -1.18191 180 3PX -0.17818 0.09062 -0.30440 0.06385 -0.34697 181 3PY -0.15236 -0.05322 0.20631 -0.20909 0.81872 182 3PZ -0.04757 0.09789 0.40449 -0.33455 0.12518 183 4XX 0.03806 -0.08522 -0.12046 0.13349 0.02106 184 4YY 0.01011 0.05106 0.11817 -0.11832 0.04088 185 4ZZ -0.02304 0.03270 0.01307 -0.03770 -0.05324 186 4XY 0.05341 0.03286 0.04735 -0.07132 0.02381 187 4XZ -0.00290 -0.06252 -0.06267 -0.04844 0.19937 188 4YZ -0.06845 -0.11265 -0.15287 0.12295 0.01401 189 17 H 1S -0.02722 0.02039 -0.09205 -0.05270 -0.10286 190 2S 0.03387 0.04495 -0.01252 0.03161 -0.14570 191 18 H 1S -0.08507 -0.08722 -0.04740 0.27532 0.04662 192 2S 0.03113 0.04945 0.06526 0.01443 -0.01651 193 19 H 1S -0.08505 -0.08722 -0.04740 0.27533 0.04664 194 2S 0.03135 0.04941 0.06526 0.01444 -0.01651 195 20 H 1S -0.02730 0.02041 -0.09205 -0.05271 -0.10282 196 2S 0.03372 0.04498 -0.01252 0.03159 -0.14561 197 21 C 1S 0.01261 0.01504 0.02914 -0.00850 -0.03572 198 2S 0.02032 -0.04525 0.05780 0.26326 -0.34112 199 2PX 0.01859 -0.03308 -0.10198 -0.01360 -0.02904 200 2PY 0.00007 -0.00002 0.00000 0.00001 -0.00001 201 2PZ 0.07868 0.02978 0.05806 -0.05693 0.03961 202 3S -0.61984 -0.12626 -0.50673 -0.61673 1.64889 203 3PX -0.06146 -0.15509 0.29519 -0.06163 0.70290 204 3PY -0.00007 0.00001 0.00000 0.00000 -0.00005 205 3PZ -0.02949 -0.11566 -0.27715 0.40027 -0.75067 206 4XX -0.04789 -0.11758 -0.26666 0.17558 0.00573 207 4YY 0.12152 0.21935 0.11020 -0.23323 -0.34032 208 4ZZ -0.08851 -0.12272 0.13074 0.02622 0.34861 209 4XY -0.00006 0.00002 0.00001 0.00000 -0.00006 210 4XZ 0.03319 -0.10136 -0.27279 -0.00127 -0.05823 211 4YZ 0.00006 -0.00001 0.00000 0.00000 0.00002 212 22 H 1S 0.05625 0.02978 0.12055 -0.10292 -0.11869 213 2S 0.10521 -0.01497 0.22667 0.04471 0.34869 214 23 H 1S 0.08257 0.22035 0.26670 -0.06021 -0.24540 215 2S 0.11167 -0.00026 -0.04856 -0.03133 -0.02465 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 -0.01707 -0.00398 -0.01177 0.00756 -0.00040 2 2S -0.25912 -0.11585 -0.33212 0.30599 -0.07151 3 2PX 0.01900 -0.02840 -0.12093 0.07926 -0.04230 4 2PY 0.13760 0.00927 0.14706 -0.18998 -0.03035 5 2PZ -0.01208 -0.01168 0.05745 -0.04835 0.01836 6 3S 2.12683 0.72102 -0.20400 0.02646 0.28607 7 3PX 0.47237 0.55554 0.05881 -0.15136 0.35005 8 3PY -1.05292 -0.22938 -0.52021 0.57324 -0.10242 9 3PZ -0.21357 -0.14906 -0.06626 0.02082 0.20980 10 4XX 0.17030 0.14030 -0.27522 0.16649 0.40644 11 4YY -0.04274 -0.01041 0.30829 -0.36571 0.01361 12 4ZZ -0.10125 -0.10887 -0.11377 0.29967 -0.41412 13 4XY -0.14679 0.02507 -0.16811 0.08412 -0.05369 14 4XZ -0.19026 0.10085 -0.07859 -0.12141 0.08314 15 4YZ 0.03067 -0.00057 0.03103 -0.12073 -0.12149 16 2 H 1S -0.17092 0.07751 -0.02523 -0.06260 -0.00012 17 2S 0.18263 0.13471 0.13544 -0.12203 0.04259 18 3 C 1S 0.01707 0.00398 -0.01177 0.00756 0.00040 19 2S 0.25925 0.11585 -0.33212 0.30596 0.07154 20 2PX -0.01899 0.02840 -0.12094 0.07926 0.04230 21 2PY 0.13760 0.00927 -0.14706 0.18997 -0.03033 22 2PZ 0.01208 0.01168 0.05745 -0.04834 -0.01836 23 3S -2.12730 -0.72103 -0.20396 0.02655 -0.28602 24 3PX -0.47253 -0.55555 0.05885 -0.15130 -0.35006 25 3PY -1.05278 -0.22939 0.52022 -0.57321 -0.10248 26 3PZ 0.21369 0.14907 -0.06626 0.02084 -0.20981 27 4XX -0.17031 -0.14029 -0.27520 0.16655 -0.40642 28 4YY 0.04274 0.01041 0.30828 -0.36571 -0.01366 29 4ZZ 0.10126 0.10888 -0.11378 0.29960 0.41416 30 4XY -0.14676 0.02507 0.16813 -0.08413 -0.05368 31 4XZ 0.19037 -0.10085 -0.07859 -0.12140 -0.08317 32 4YZ 0.03063 -0.00056 -0.03103 0.12075 -0.12147 33 4 H 1S 0.17096 -0.07751 -0.02523 -0.06260 0.00010 34 2S -0.18263 -0.13471 0.13544 -0.12202 -0.04260 35 5 C 1S 0.00140 -0.01892 -0.00335 0.01230 0.00253 36 2S -0.22616 -0.32287 0.04926 -0.13277 0.07093 37 2PX 0.01159 -0.05722 -0.06089 0.01129 0.05392 38 2PY 0.14485 -0.07813 0.05574 -0.21881 -0.00991 39 2PZ 0.01906 0.03178 0.07150 0.02093 0.08984 40 3S 1.40556 1.83840 0.11993 -0.54502 -0.17466 41 3PX 0.60579 0.56628 -0.48163 0.15430 0.23290 42 3PY 1.64256 0.18930 -0.21198 0.67872 0.22980 43 3PZ -0.14850 0.15648 0.42219 0.01586 0.41545 44 4XX 0.21925 0.03788 -0.13977 -0.15851 -0.09954 45 4YY -0.46193 0.15144 -0.01731 0.13235 0.00600 46 4ZZ 0.32732 -0.16359 0.14139 0.02340 0.11508 47 4XY -0.03266 0.07595 0.00529 0.03023 0.03990 48 4XZ 0.01823 -0.00588 -0.07424 0.07955 0.08080 49 4YZ -0.07569 0.04458 0.02878 0.00853 0.02093 50 6 C 1S 0.04391 0.03516 -0.00676 -0.01484 0.01323 51 2S 0.63809 0.36651 0.26791 0.13969 0.21098 52 2PX 0.04423 0.02070 -0.05815 -0.01169 0.02281 53 2PY 0.09060 -0.04985 0.09361 0.16182 -0.08491 54 2PZ 0.05336 0.02453 0.11544 0.08827 0.07701 55 3S -3.60311 -2.19718 0.37090 0.20745 -0.74852 56 3PX 0.78514 0.09710 0.04784 0.08792 -0.31537 57 3PY -0.84047 -0.29971 -0.33399 -0.46179 -0.22099 58 3PZ -0.81252 -0.89329 -0.12348 -0.11501 -0.33972 59 4XX -0.15718 0.16612 0.13320 0.25111 0.25950 60 4YY 0.02756 -0.03256 -0.22829 -0.26277 -0.06090 61 4ZZ 0.06958 -0.15465 0.08167 0.01432 -0.21282 62 4XY 0.23207 -0.07248 0.03257 0.14353 -0.03566 63 4XZ 0.18076 -0.22978 0.05470 -0.00267 0.05572 64 4YZ -0.00017 0.04073 -0.04294 -0.09411 0.14273 65 7 H 1S 0.16641 -0.05792 -0.01791 0.01044 0.05354 66 2S -0.17059 -0.09149 -0.15907 -0.19288 -0.00953 67 8 C 1S -0.04393 -0.03516 -0.00676 -0.01484 -0.01323 68 2S -0.63817 -0.36649 0.26793 0.13974 -0.21096 69 2PX -0.04424 -0.02071 -0.05815 -0.01169 -0.02281 70 2PY 0.09065 -0.04986 -0.09361 -0.16181 -0.08494 71 2PZ -0.05337 -0.02453 0.11545 0.08828 -0.07699 72 3S 3.60360 2.19716 0.37078 0.20722 0.74853 73 3PX -0.78500 -0.09709 0.04786 0.08790 0.31538 74 3PY -0.84025 -0.29968 0.33403 0.46184 -0.22096 75 3PZ 0.81244 0.89327 -0.12351 -0.11509 0.33972 76 4XX 0.15704 -0.16612 0.13320 0.25115 -0.25946 77 4YY -0.02748 0.03255 -0.22829 -0.26278 0.06086 78 4ZZ -0.06956 0.15466 0.08166 0.01429 0.21282 79 4XY 0.23215 -0.07249 -0.03258 -0.14354 -0.03566 80 4XZ -0.18082 0.22978 0.05469 -0.00266 -0.05570 81 4YZ -0.00031 0.04073 0.04294 0.09409 0.14277 82 9 H 1S -0.16663 0.05792 -0.01790 0.01045 -0.05351 83 2S 0.17050 0.09148 -0.15907 -0.19289 0.00951 84 10 C 1S -0.00141 0.01892 -0.00335 0.01230 -0.00253 85 2S 0.22629 0.32286 0.04925 -0.13276 -0.07094 86 2PX -0.01152 0.05721 -0.06089 0.01130 -0.05392 87 2PY 0.14478 -0.07812 -0.05574 0.21881 -0.00988 88 2PZ -0.01908 -0.03178 0.07150 0.02095 -0.08983 89 3S -1.40573 -1.83843 0.11998 -0.54496 0.17462 90 3PX -0.60616 -0.56628 -0.48160 0.15433 -0.23284 91 3PY 1.64227 0.18925 0.21196 -0.67875 0.22980 92 3PZ 0.14870 -0.15648 0.42220 0.01592 -0.41549 93 4XX -0.21927 -0.03788 -0.13976 -0.15852 0.09952 94 4YY 0.46190 -0.15145 -0.01731 0.13234 -0.00599 95 4ZZ -0.32726 0.16359 0.14139 0.02341 -0.11507 96 4XY -0.03260 0.07595 -0.00529 -0.03022 0.03989 97 4XZ -0.01818 0.00589 -0.07425 0.07957 -0.08080 98 4YZ -0.07567 0.04457 -0.02878 -0.00853 0.02094 99 11 O 1S -0.01697 0.01031 0.00128 -0.00319 -0.00368 100 2S 0.05772 0.08184 0.08605 -0.28024 -0.11994 101 2PX 0.04603 0.00980 -0.04111 0.01051 0.03637 102 2PY 0.33445 -0.08219 0.02037 -0.12693 -0.03511 103 2PZ 0.02051 0.02262 0.05822 -0.01137 0.07169 104 3S 0.80141 -0.53735 -0.26787 0.82740 0.39187 105 3PX -0.08049 -0.12948 0.13222 -0.03241 -0.09776 106 3PY 0.02737 -0.17514 -0.07471 0.25125 0.14228 107 3PZ 0.03741 -0.09246 -0.16849 0.02096 -0.19789 108 4XX 0.13252 0.03404 0.14014 -0.01170 0.05273 109 4YY -0.02813 0.03799 0.03116 -0.07398 0.01254 110 4ZZ -0.02854 -0.04336 -0.14367 -0.02564 -0.11594 111 4XY -0.02123 -0.02015 0.24111 -0.12668 -0.13710 112 4XZ -0.04018 -0.02959 0.03564 0.07682 -0.10286 113 4YZ -0.00272 -0.14296 -0.24176 -0.02421 -0.28560 114 12 O 1S 0.01697 -0.01031 0.00128 -0.00319 0.00368 115 2S -0.05781 -0.08186 0.08605 -0.28024 0.11992 116 2PX -0.04603 -0.00980 -0.04111 0.01052 -0.03637 117 2PY 0.33443 -0.08219 -0.02037 0.12692 -0.03510 118 2PZ -0.02052 -0.02262 0.05822 -0.01136 -0.07170 119 3S -0.80099 0.53741 -0.26786 0.82742 -0.39185 120 3PX 0.08058 0.12948 0.13221 -0.03244 0.09776 121 3PY 0.02726 -0.17515 0.07471 -0.25126 0.14227 122 3PZ -0.03740 0.09246 -0.16849 0.02093 0.19790 123 4XX -0.13251 -0.03404 0.14013 -0.01168 -0.05273 124 4YY 0.02810 -0.03800 0.03118 -0.07398 -0.01253 125 4ZZ 0.02852 0.04336 -0.14367 -0.02565 0.11593 126 4XY -0.02122 -0.02016 -0.24111 0.12669 -0.13708 127 4XZ 0.04012 0.02959 0.03565 0.07680 0.10287 128 4YZ -0.00277 -0.14296 0.24177 0.02425 -0.28560 129 13 C 1S -0.03561 -0.06186 0.01641 0.01278 -0.01191 130 2S -0.24755 -0.67217 0.24141 0.41809 -0.15638 131 2PX -0.03349 -0.04994 0.03184 0.02428 0.02933 132 2PY 0.02126 -0.03334 -0.01714 0.05901 -0.04969 133 2PZ 0.04433 0.04817 -0.05658 -0.04651 -0.02012 134 3S 1.05147 2.76228 -1.16109 -1.37637 0.70296 135 3PX 0.20070 0.73210 -0.08941 -0.03272 -0.06046 136 3PY 0.60049 2.02409 -0.65020 -0.70601 0.05865 137 3PZ -0.33157 -0.81759 -0.11333 0.05107 -0.08915 138 4XX 0.03682 0.16678 -0.04364 -0.01499 -0.07231 139 4YY -0.14874 -0.40999 0.03804 0.05155 0.21074 140 4ZZ 0.07426 0.19334 -0.01237 -0.06964 -0.10671 141 4XY 0.07428 0.03889 -0.07020 -0.05854 -0.03877 142 4XZ -0.05806 -0.16792 0.06933 0.08622 0.12306 143 4YZ 0.00994 0.09392 -0.13302 -0.04613 -0.08108 144 14 C 1S 0.00778 0.01435 0.00830 0.00037 -0.00222 145 2S -0.06934 0.08706 0.25302 0.09249 0.07141 146 2PX 0.09271 0.15971 -0.09498 -0.08704 -0.06113 147 2PY -0.00953 0.12857 0.06647 -0.03478 -0.06193 148 2PZ -0.05417 -0.07820 0.09153 0.08099 0.05151 149 3S -0.73614 -2.94024 0.10187 0.29370 -0.24945 150 3PX 0.24858 1.07730 -0.00017 -0.14771 0.25231 151 3PY -0.02828 -0.86221 -0.08248 0.08647 0.01350 152 3PZ -0.09894 -0.78790 -0.03273 0.00648 -0.27477 153 4XX -0.01653 -0.07430 0.10393 0.11448 0.01468 154 4YY -0.03833 0.01658 -0.14693 0.01135 0.00651 155 4ZZ 0.03614 -0.02366 0.07517 -0.12748 -0.00795 156 4XY 0.07675 0.25706 -0.02049 -0.01889 -0.12990 157 4XZ -0.01869 -0.06499 0.13976 0.18105 0.03267 158 4YZ 0.03550 -0.03133 -0.04520 -0.01224 0.03515 159 15 C 1S -0.00778 -0.01435 0.00830 0.00037 0.00222 160 2S 0.06951 -0.08704 0.25303 0.09251 -0.07142 161 2PX -0.09280 -0.15972 -0.09498 -0.08705 0.06112 162 2PY -0.00951 0.12856 -0.06647 0.03479 -0.06191 163 2PZ 0.05422 0.07821 0.09153 0.08100 -0.05149 164 3S 0.73630 2.94028 0.10177 0.29356 0.24949 165 3PX -0.24858 -1.07729 -0.00012 -0.14763 -0.25236 166 3PY -0.02829 -0.86219 0.08251 -0.08644 0.01345 167 3PZ 0.09896 0.78792 -0.03276 0.00641 0.27477 168 4XX 0.01654 0.07429 0.10393 0.11448 -0.01465 169 4YY 0.03837 -0.01660 -0.14693 0.01135 -0.00649 170 4ZZ -0.03620 0.02368 0.07517 -0.12748 0.00791 171 4XY 0.07680 0.25707 0.02048 0.01890 -0.12991 172 4XZ 0.01880 0.06499 0.13976 0.18105 -0.03264 173 4YZ 0.03548 -0.03133 0.04520 0.01223 0.03516 174 16 C 1S 0.03562 0.06187 0.01641 0.01277 0.01191 175 2S 0.24779 0.67219 0.24138 0.41804 0.15645 176 2PX 0.03356 0.04996 0.03184 0.02428 -0.02934 177 2PY 0.02121 -0.03334 0.01714 -0.05900 -0.04970 178 2PZ -0.04438 -0.04817 -0.05658 -0.04651 0.02012 179 3S -1.05227 -2.76239 -1.16098 -1.37617 -0.70318 180 3PX -0.20090 -0.73217 -0.08939 -0.03271 0.06051 181 3PY 0.60100 2.02416 0.65014 0.70593 0.05877 182 3PZ 0.33166 0.81756 -0.11336 0.05102 0.08918 183 4XX -0.03681 -0.16677 -0.04363 -0.01500 0.07230 184 4YY 0.14877 0.41000 0.03803 0.05157 -0.21073 185 4ZZ -0.07429 -0.19335 -0.01236 -0.06966 0.10671 186 4XY 0.07430 0.03891 0.07020 0.05854 -0.03879 187 4XZ 0.05818 0.16793 0.06933 0.08623 -0.12304 188 4YZ 0.00995 0.09394 0.13302 0.04614 -0.08109 189 17 H 1S 0.08826 0.48643 -0.05880 -0.04817 -0.20555 190 2S 0.18132 0.47323 -0.11154 -0.08851 0.00328 191 18 H 1S 0.03045 0.04006 0.05137 0.07200 -0.09055 192 2S -0.01478 -0.37744 -0.06482 -0.00556 -0.06699 193 19 H 1S -0.03044 -0.04007 0.05137 0.07199 0.09058 194 2S 0.01477 0.37743 -0.06483 -0.00559 0.06699 195 20 H 1S -0.08832 -0.48643 -0.05879 -0.04819 0.20554 196 2S -0.18141 -0.47324 -0.11153 -0.08849 -0.00330 197 21 C 1S -0.00001 0.00000 -0.05874 -0.03867 0.00000 198 2S -0.00012 -0.00002 -0.55214 -0.41976 -0.00004 199 2PX -0.00001 0.00000 0.00501 -0.02741 0.00000 200 2PY 0.05469 0.26077 0.00000 0.00000 -0.02378 201 2PZ 0.00001 0.00000 -0.00863 0.05092 0.00001 202 3S 0.00054 0.00009 2.41375 1.90513 0.00016 203 3PX 0.00021 0.00006 0.57853 0.43091 -0.00002 204 3PY 0.15654 0.18345 -0.00001 -0.00001 0.09619 205 3PZ -0.00024 -0.00002 -0.71160 -0.76593 -0.00007 206 4XX 0.00000 0.00000 -0.12724 0.08721 0.00002 207 4YY -0.00009 0.00000 -0.12837 -0.25359 -0.00003 208 4ZZ 0.00010 0.00000 0.24648 0.18614 0.00001 209 4XY 0.21022 0.18769 0.00000 0.00000 -0.04672 210 4XZ -0.00001 0.00000 -0.03885 -0.02484 -0.00001 211 4YZ -0.08245 -0.10885 0.00000 0.00000 0.01663 212 22 H 1S -0.00003 0.00001 0.00287 -0.22552 -0.00004 213 2S 0.00010 0.00002 -0.06763 0.27542 0.00000 214 23 H 1S -0.00007 -0.00002 -0.25848 -0.20214 0.00000 215 2S -0.00001 -0.00001 -0.09087 -0.00996 0.00001 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 0.00656 -0.00068 0.00182 0.00059 0.00269 2 2S 0.10440 -0.13078 -0.06177 -0.11817 0.13123 3 2PX 0.02487 -0.10062 -0.03190 -0.10697 0.01109 4 2PY -0.07636 -0.14927 -0.00310 -0.13534 -0.07864 5 2PZ -0.02969 0.08854 0.01168 0.08584 0.01817 6 3S -0.26159 -0.37182 -0.56443 -0.78985 -0.26467 7 3PX -0.21681 -0.06823 -0.17055 -0.19968 -0.20654 8 3PY 0.28628 0.36278 -0.07796 0.61301 0.17324 9 3PZ 0.15430 -0.03338 0.18663 0.02035 0.15587 10 4XX 0.04338 -0.05971 0.00918 -0.11565 0.09156 11 4YY -0.06520 0.10193 0.07736 0.09949 -0.08240 12 4ZZ 0.04360 -0.02863 -0.09297 0.02928 -0.01969 13 4XY 0.10002 0.06894 0.04640 0.09892 -0.02783 14 4XZ 0.05102 -0.11866 0.05311 -0.13817 0.01669 15 4YZ -0.09344 -0.06546 -0.02571 -0.04406 0.05089 16 2 H 1S 0.04922 -0.01603 0.04897 -0.03137 -0.07151 17 2S -0.13304 -0.04165 -0.04457 -0.09187 -0.08481 18 3 C 1S 0.00656 0.00068 0.00182 -0.00059 0.00270 19 2S 0.10440 0.13078 -0.06179 0.11818 0.13129 20 2PX 0.02487 0.10062 -0.03192 0.10697 0.01110 21 2PY 0.07636 -0.14927 0.00312 -0.13534 0.07866 22 2PZ -0.02969 -0.08854 0.01170 -0.08584 0.01817 23 3S -0.26162 0.37181 -0.56449 0.78981 -0.26509 24 3PX -0.21684 0.06823 -0.17056 0.19968 -0.20668 25 3PY -0.28631 0.36276 0.07791 0.61300 -0.17334 26 3PZ 0.15428 0.03339 0.18662 -0.02033 0.15600 27 4XX 0.04334 0.05971 0.00916 0.11566 0.09159 28 4YY -0.06519 -0.10193 0.07738 -0.09950 -0.08238 29 4ZZ 0.04363 0.02864 -0.09297 -0.02928 -0.01973 30 4XY -0.10003 0.06893 -0.04640 0.09890 0.02785 31 4XZ 0.05101 0.11865 0.05310 0.13817 0.01673 32 4YZ 0.09343 -0.06545 0.02572 -0.04406 -0.05084 33 4 H 1S 0.04922 0.01603 0.04897 0.03138 -0.07150 34 2S -0.13304 0.04164 -0.04458 0.09186 -0.08486 35 5 C 1S 0.00587 0.01299 -0.00330 0.00304 -0.00592 36 2S -0.20674 0.34248 -0.05943 0.34531 -0.05725 37 2PX 0.02296 0.01212 -0.00026 -0.01542 -0.05082 38 2PY -0.11329 0.12725 -0.09791 0.15474 -0.06941 39 2PZ -0.05566 0.00112 -0.03720 -0.00145 0.04256 40 3S -0.10064 -0.52608 -0.41164 0.15237 0.12205 41 3PX 0.06685 -0.28489 -0.61458 -0.13931 -0.09279 42 3PY 1.22831 -0.89948 1.16903 -1.50308 0.69124 43 3PZ 0.16122 0.01101 0.51486 -0.09768 0.12305 44 4XX 0.04703 -0.09436 -0.01197 -0.10361 0.03177 45 4YY -0.01994 0.02112 0.05673 0.10298 0.06552 46 4ZZ 0.04332 0.08837 -0.04452 -0.03313 -0.11232 47 4XY 0.01850 -0.01551 0.01401 0.01113 -0.02033 48 4XZ 0.07742 0.30035 0.05184 0.27899 0.06691 49 4YZ 0.00808 -0.03324 0.00764 -0.02322 0.00199 50 6 C 1S 0.00396 -0.01163 0.00350 0.00557 0.00982 51 2S 0.11473 -0.01231 0.52861 0.10918 0.36834 52 2PX -0.01813 -0.10582 -0.00063 -0.14697 -0.03939 53 2PY 0.07032 -0.09248 0.22815 -0.15001 0.05964 54 2PZ -0.02535 0.03979 0.04846 0.05220 0.04223 55 3S -0.25491 1.01960 0.16415 0.53153 -0.39822 56 3PX 0.20490 -0.08515 0.01319 -0.02522 0.04706 57 3PY -0.32890 0.24958 -0.98927 0.37529 -0.34786 58 3PZ -0.33678 0.35269 -0.41467 -0.00878 -0.40656 59 4XX -0.07895 0.02893 -0.10099 0.00625 0.01195 60 4YY -0.02450 -0.07909 -0.24043 -0.12876 -0.03113 61 4ZZ 0.10735 0.05949 0.31878 0.11218 -0.02793 62 4XY 0.07833 -0.12772 0.05648 -0.12529 0.00779 63 4XZ -0.13026 0.16158 -0.21773 0.02250 -0.26858 64 4YZ 0.14117 -0.02019 0.12254 -0.00180 0.04050 65 7 H 1S -0.20712 0.00553 -0.36107 -0.03191 -0.18192 66 2S -0.11592 0.07577 -0.16769 -0.00192 -0.04827 67 8 C 1S 0.00396 0.01163 0.00350 -0.00557 0.00982 68 2S 0.11472 0.01234 0.52862 -0.10915 0.36824 69 2PX -0.01814 0.10582 -0.00065 0.14697 -0.03939 70 2PY -0.07033 -0.09249 -0.22813 -0.15004 -0.05964 71 2PZ -0.02535 -0.03979 0.04846 -0.05220 0.04221 72 3S -0.25487 -1.01963 0.16418 -0.53151 -0.39778 73 3PX 0.20497 0.08517 0.01328 0.02523 0.04710 74 3PY 0.32888 0.24962 0.98925 0.37538 0.34766 75 3PZ -0.33677 -0.35272 -0.41466 0.00874 -0.40639 76 4XX -0.07896 -0.02893 -0.10100 -0.00626 0.01191 77 4YY -0.02450 0.07907 -0.24045 0.12874 -0.03113 78 4ZZ 0.10737 -0.05947 0.31881 -0.11215 -0.02787 79 4XY -0.07833 -0.12772 -0.05648 -0.12529 -0.00783 80 4XZ -0.13027 -0.16159 -0.21772 -0.02252 -0.26855 81 4YZ -0.14116 -0.02020 -0.12254 -0.00181 -0.04053 82 9 H 1S -0.20713 -0.00554 -0.36108 0.03187 -0.18193 83 2S -0.11593 -0.07578 -0.16770 0.00191 -0.04824 84 10 C 1S 0.00587 -0.01299 -0.00330 -0.00304 -0.00592 85 2S -0.20675 -0.34249 -0.05939 -0.34532 -0.05724 86 2PX 0.02296 -0.01211 -0.00026 0.01542 -0.05082 87 2PY 0.11329 0.12726 0.09790 0.15475 0.06942 88 2PZ -0.05567 -0.00113 -0.03720 0.00144 0.04255 89 3S -0.10056 0.52605 -0.41161 -0.15241 0.12188 90 3PX 0.06681 0.28487 -0.61462 0.13923 -0.09274 91 3PY -1.22825 -0.89959 -1.16887 -1.50319 -0.69101 92 3PZ 0.16118 -0.01100 0.51484 0.09772 0.12296 93 4XX 0.04704 0.09435 -0.01200 0.10360 0.03171 94 4YY -0.01993 -0.02111 0.05674 -0.10297 0.06554 95 4ZZ 0.04331 -0.08836 -0.04452 0.03313 -0.11230 96 4XY -0.01850 -0.01552 -0.01401 0.01112 0.02032 97 4XZ 0.07742 -0.30035 0.05188 -0.27898 0.06688 98 4YZ -0.00808 -0.03323 -0.00764 -0.02321 -0.00200 99 11 O 1S -0.01670 0.00827 -0.01229 0.01902 -0.00339 100 2S -0.28626 0.11208 -0.35211 0.26461 -0.19464 101 2PX 0.02677 0.00601 -0.04222 -0.01574 -0.02861 102 2PY -0.00296 -0.01747 -0.06075 -0.06361 -0.05335 103 2PZ 0.00930 -0.00038 -0.00164 -0.01466 -0.01002 104 3S 1.24081 -0.58434 1.28238 -1.38513 0.62413 105 3PX -0.00474 0.00412 0.20592 -0.00668 0.09013 106 3PY 0.29881 -0.09557 0.32832 -0.29358 0.15582 107 3PZ -0.00080 -0.01441 -0.03414 -0.00127 0.00316 108 4XX -0.05554 0.05921 0.00037 0.09620 -0.00481 109 4YY -0.10948 0.04596 -0.13908 0.08429 -0.07400 110 4ZZ 0.02447 -0.04701 -0.00707 -0.06802 0.01373 111 4XY -0.00869 0.00186 0.20814 0.07116 0.09729 112 4XZ -0.00326 -0.26787 0.08734 -0.25422 0.00566 113 4YZ 0.02904 0.03614 -0.05270 0.05330 -0.05209 114 12 O 1S -0.01670 -0.00828 -0.01229 -0.01903 -0.00339 115 2S -0.28623 -0.11211 -0.35209 -0.26464 -0.19463 116 2PX 0.02677 -0.00601 -0.04222 0.01574 -0.02860 117 2PY 0.00296 -0.01746 0.06076 -0.06360 0.05337 118 2PZ 0.00929 0.00038 -0.00164 0.01466 -0.01002 119 3S 1.24071 0.58446 1.28225 1.38524 0.62400 120 3PX -0.00475 -0.00413 0.20591 0.00668 0.09010 121 3PY -0.29878 -0.09560 -0.32830 -0.29361 -0.15580 122 3PZ -0.00079 0.01442 -0.03414 0.00127 0.00318 123 4XX -0.05554 -0.05921 0.00038 -0.09619 -0.00481 124 4YY -0.10948 -0.04597 -0.13907 -0.08430 -0.07398 125 4ZZ 0.02448 0.04701 -0.00708 0.06802 0.01372 126 4XY 0.00867 0.00186 -0.20815 0.07115 -0.09726 127 4XZ -0.00326 0.26788 0.08731 0.25423 0.00567 128 4YZ -0.02906 0.03613 0.05269 0.05330 0.05206 129 13 C 1S 0.00117 0.03710 -0.01408 -0.02893 -0.01805 130 2S -0.17321 0.56534 -0.24317 -0.46915 -0.74344 131 2PX 0.11986 -0.06392 0.00413 0.03450 0.00964 132 2PY -0.10573 0.17285 0.01702 -0.17306 -0.19769 133 2PZ -0.05451 0.01724 0.08427 -0.02327 0.02451 134 3S 0.23196 -2.19238 0.68838 1.66433 1.67667 135 3PX -0.40714 -0.47451 -0.07865 0.47715 0.27715 136 3PY 0.24955 -1.14491 0.52085 1.11129 1.09769 137 3PZ -0.25231 0.28188 0.01593 -0.21694 -0.12857 138 4XX 0.05129 0.11929 0.14815 -0.13395 -0.25986 139 4YY -0.01873 -0.18885 -0.08738 0.13739 0.03286 140 4ZZ -0.02624 0.04475 -0.00578 0.01107 0.33190 141 4XY -0.25093 -0.27991 -0.06238 0.26826 0.19162 142 4XZ -0.10286 -0.06470 0.01683 -0.05247 0.02070 143 4YZ -0.23941 -0.01522 -0.04793 0.07052 0.19659 144 14 C 1S 0.01379 -0.01471 -0.01364 0.00997 0.02524 145 2S 0.27647 -0.12543 -0.44250 0.06585 0.22686 146 2PX 0.03300 -0.03202 0.10353 0.06320 -0.03834 147 2PY 0.17645 0.15100 -0.18389 -0.08851 0.09473 148 2PZ -0.02458 -0.00650 -0.07534 -0.01251 0.06934 149 3S -0.16310 2.10419 0.12933 -1.79088 -0.95546 150 3PX 0.29359 -0.87797 -0.16026 0.72993 0.52283 151 3PY -0.39338 0.59234 0.28305 -0.62254 -0.25395 152 3PZ -0.09976 0.80894 0.16650 -0.62864 -0.34354 153 4XX -0.02694 -0.11162 -0.16943 0.03612 -0.11221 154 4YY -0.26138 0.08659 0.30287 -0.05950 -0.05594 155 4ZZ 0.33272 0.06363 -0.16904 -0.02480 0.23191 156 4XY -0.14549 0.09461 0.04972 0.00798 0.17098 157 4XZ -0.07913 0.05508 -0.11371 -0.11171 0.13964 158 4YZ 0.07263 -0.19585 -0.01514 0.20793 -0.24248 159 15 C 1S 0.01379 0.01471 -0.01364 -0.00997 0.02524 160 2S 0.27645 0.12540 -0.44250 -0.06589 0.22676 161 2PX 0.03302 0.03203 0.10353 -0.06319 -0.03831 162 2PY -0.17646 0.15101 0.18389 -0.08850 -0.09473 163 2PZ -0.02459 0.00649 -0.07535 0.01251 0.06932 164 3S -0.16309 -2.10419 0.12926 1.79088 -0.95504 165 3PX 0.29356 0.87796 -0.16024 -0.72993 0.52262 166 3PY 0.39338 0.59233 -0.28303 -0.62256 0.25375 167 3PZ -0.09972 -0.80894 0.16649 0.62866 -0.34340 168 4XX -0.02694 0.11162 -0.16944 -0.03614 -0.11218 169 4YY -0.26138 -0.08658 0.30287 0.05952 -0.05594 170 4ZZ 0.33272 -0.06363 -0.16904 0.02478 0.23187 171 4XY 0.14546 0.09462 -0.04973 0.00798 -0.17098 172 4XZ -0.07914 -0.05510 -0.11372 0.11170 0.13959 173 4YZ -0.07262 -0.19585 0.01513 0.20793 0.24248 174 16 C 1S 0.00118 -0.03710 -0.01408 0.02893 -0.01805 175 2S -0.17320 -0.56536 -0.24318 0.46912 -0.74342 176 2PX 0.11985 0.06392 0.00413 -0.03450 0.00961 177 2PY 0.10572 0.17285 -0.01702 -0.17306 0.19771 178 2PZ -0.05451 -0.01723 0.08427 0.02327 0.02453 179 3S 0.23190 2.19244 0.68841 -1.66427 1.67638 180 3PX -0.40711 0.47449 -0.07862 -0.47715 0.27719 181 3PY -0.24958 -1.14495 -0.52089 1.11124 -1.09759 182 3PZ -0.25232 -0.28189 0.01593 0.21694 -0.12853 183 4XX 0.05131 -0.11927 0.14815 0.13396 -0.25986 184 4YY -0.01877 0.18885 -0.08738 -0.13740 0.03287 185 4ZZ -0.02622 -0.04476 -0.00578 -0.01107 0.33186 186 4XY 0.25093 -0.27990 0.06237 0.26827 -0.19165 187 4XZ -0.10289 0.06469 0.01682 0.05247 0.02063 188 4YZ 0.23939 -0.01521 0.04793 0.07052 -0.19660 189 17 H 1S -0.01813 0.13827 0.08945 -0.02857 0.04818 190 2S 0.11327 -0.34066 0.14143 0.30170 0.30353 191 18 H 1S -0.18843 0.22401 0.02664 -0.19978 0.19119 192 2S -0.11016 0.24937 0.14106 -0.22958 -0.24020 193 19 H 1S -0.18841 -0.22402 0.02663 0.19978 0.19120 194 2S -0.11015 -0.24937 0.14106 0.22959 -0.24011 195 20 H 1S -0.01809 -0.13827 0.08946 0.02859 0.04817 196 2S 0.11328 0.34067 0.14144 -0.30168 0.30352 197 21 C 1S -0.02170 0.00000 0.01672 0.00000 0.02210 198 2S 0.03417 0.00002 0.26519 0.00001 -0.42975 199 2PX 0.03418 0.00000 0.06901 0.00000 -0.03818 200 2PY -0.00001 -0.05991 0.00000 0.14060 0.00001 201 2PZ -0.06166 0.00000 0.02797 0.00000 0.29882 202 3S -0.08681 -0.00007 -1.26277 -0.00006 -1.20531 203 3PX 1.09774 -0.00001 -0.81835 -0.00003 -0.67724 204 3PY 0.00001 -0.32731 0.00001 0.10466 0.00003 205 3PZ 0.13581 0.00003 0.49046 0.00002 -0.34230 206 4XX -0.45952 0.00000 0.30386 0.00001 -0.23654 207 4YY 0.28602 0.00001 -0.07862 0.00000 0.11960 208 4ZZ 0.10005 -0.00001 -0.22840 -0.00001 0.20179 209 4XY 0.00000 -0.35873 -0.00001 0.40581 0.00001 210 4XZ 0.24014 0.00001 0.12315 0.00001 -0.20621 211 4YZ 0.00000 -0.22941 0.00000 0.26683 0.00000 212 22 H 1S 0.59076 0.00001 -0.15398 -0.00001 -0.00121 213 2S 0.25525 0.00000 -0.28781 0.00000 -0.04434 214 23 H 1S -0.29782 0.00000 0.08085 0.00000 0.32361 215 2S -0.17641 0.00000 0.19442 0.00001 0.32483 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 -0.01600 -0.00184 0.00931 0.01310 0.01303 2 2S -0.27670 -0.10963 -0.02085 0.03507 0.21875 3 2PX -0.02322 0.01275 -0.02919 0.00006 0.03710 4 2PY 0.11455 -0.03726 -0.00533 -0.02826 -0.03199 5 2PZ -0.02615 0.06206 0.04670 0.06156 0.01212 6 3S 2.16584 1.10066 -0.61000 -0.53820 -1.65397 7 3PX 0.74508 0.61212 -0.09233 -0.10588 -0.66614 8 3PY -0.62952 -0.43166 -0.27938 -0.23761 0.18940 9 3PZ -0.70340 -0.20536 0.12414 0.14859 0.61706 10 4XX -0.08898 0.08375 0.07005 0.14343 0.00704 11 4YY -0.07226 0.02458 0.03873 0.00634 0.01976 12 4ZZ 0.18636 -0.07608 -0.09689 -0.13137 -0.05001 13 4XY 0.05571 -0.21775 0.01164 0.00694 -0.12595 14 4XZ -0.16072 0.07151 0.10494 0.13215 0.09958 15 4YZ 0.22765 -0.38917 0.08247 0.16676 -0.18958 16 2 H 1S -0.04157 0.09644 0.05055 0.01188 0.01168 17 2S 0.27463 0.15286 0.03647 0.00889 -0.18767 18 3 C 1S 0.01600 0.00184 0.00931 0.01310 -0.01303 19 2S 0.27667 0.10965 -0.02084 0.03506 -0.21876 20 2PX 0.02322 -0.01275 -0.02919 0.00007 -0.03710 21 2PY 0.11454 -0.03725 0.00533 0.02824 -0.03199 22 2PZ 0.02615 -0.06205 0.04670 0.06157 -0.01212 23 3S -2.16577 -1.10077 -0.61002 -0.53822 1.65397 24 3PX -0.74505 -0.61215 -0.09234 -0.10584 0.66615 25 3PY -0.62945 -0.43159 0.27937 0.23752 0.18939 26 3PZ 0.70336 0.20538 0.12414 0.14861 -0.61705 27 4XX 0.08896 -0.08374 0.07005 0.14346 -0.00704 28 4YY 0.07227 -0.02458 0.03872 0.00632 -0.01974 29 4ZZ -0.18635 0.07607 -0.09689 -0.13138 0.04999 30 4XY 0.05571 -0.21774 -0.01164 -0.00687 -0.12596 31 4XZ 0.16072 -0.07150 0.10493 0.13214 -0.09958 32 4YZ 0.22766 -0.38919 -0.08248 -0.16670 -0.18959 33 4 H 1S 0.04159 -0.09644 0.05054 0.01186 -0.01168 34 2S -0.27461 -0.15286 0.03646 0.00888 0.18767 35 5 C 1S -0.00193 -0.00908 -0.00923 0.00592 0.00603 36 2S -0.13650 -0.12214 -0.02454 0.04856 0.00713 37 2PX -0.00266 -0.03092 -0.01806 -0.06372 -0.02640 38 2PY -0.01729 -0.02123 -0.01260 0.01273 -0.00518 39 2PZ 0.03936 -0.05155 0.01164 0.07343 -0.00803 40 3S 1.02263 1.18783 0.10274 -0.16112 -0.63323 41 3PX -0.28360 0.16683 -0.59424 -0.67246 0.60312 42 3PY 1.35637 1.02316 0.19001 -0.14520 -0.95450 43 3PZ 0.40833 0.00994 0.47265 0.42455 -0.55860 44 4XX 0.25044 -0.21354 0.19819 0.38613 -0.06677 45 4YY -0.12169 0.08400 0.04017 -0.02892 0.02742 46 4ZZ -0.06954 0.15919 -0.26155 -0.35424 0.02989 47 4XY -0.04247 0.04953 -0.05008 -0.11857 -0.00847 48 4XZ 0.09956 0.02552 0.06082 0.16169 -0.12385 49 4YZ -0.03098 -0.00867 0.02813 0.04199 -0.02562 50 6 C 1S 0.02106 0.00612 -0.00629 -0.01994 -0.01956 51 2S 0.49765 0.28156 0.02949 -0.12510 -0.45997 52 2PX 0.02197 -0.05254 -0.04495 -0.06145 -0.02611 53 2PY -0.04343 -0.06010 0.05194 -0.06642 0.08230 54 2PZ 0.07380 0.06299 -0.00445 0.00134 -0.08377 55 3S -2.29256 -1.74344 0.54538 0.76164 2.05716 56 3PX 0.03271 1.03030 -0.07049 -0.23833 0.13935 57 3PY -0.96670 -0.76792 -0.44184 -0.08695 1.35509 58 3PZ -0.88747 -1.04639 -0.09657 0.18858 0.62773 59 4XX 0.14513 -0.32673 0.09862 0.23301 0.06316 60 4YY -0.04127 -0.05025 -0.04887 -0.02168 0.07959 61 4ZZ -0.20418 0.30011 -0.06063 -0.22901 -0.03981 62 4XY -0.18175 0.01257 0.05182 0.20252 -0.07360 63 4XZ -0.12749 -0.26193 -0.04137 0.10046 0.15324 64 4YZ -0.17026 -0.07064 0.07023 0.03787 -0.21445 65 7 H 1S 0.00319 -0.34170 -0.11295 0.10557 0.13713 66 2S -0.15093 -0.35323 -0.10079 -0.01946 0.20288 67 8 C 1S -0.02106 -0.00613 -0.00629 -0.01994 0.01956 68 2S -0.49775 -0.28159 0.02947 -0.12517 0.45998 69 2PX -0.02197 0.05253 -0.04495 -0.06145 0.02610 70 2PY -0.04341 -0.06008 -0.05194 0.06642 0.08230 71 2PZ -0.07380 -0.06299 -0.00445 0.00133 0.08377 72 3S 2.29265 1.74359 0.54543 0.76184 -2.05714 73 3PX -0.03276 -1.03039 -0.07048 -0.23834 -0.13932 74 3PY -0.96680 -0.76789 0.44183 0.08699 1.35510 75 3PZ 0.88759 1.04645 -0.09653 0.18863 -0.62774 76 4XX -0.14513 0.32675 0.09863 0.23298 -0.06315 77 4YY 0.04128 0.05025 -0.04887 -0.02168 -0.07960 78 4ZZ 0.20418 -0.30014 -0.06063 -0.22896 0.03980 79 4XY -0.18176 0.01252 -0.05182 -0.20250 -0.07361 80 4XZ 0.12756 0.26193 -0.04137 0.10041 -0.15323 81 4YZ -0.17024 -0.07064 -0.07022 -0.03782 -0.21446 82 9 H 1S -0.00313 0.34172 -0.11294 0.10554 -0.13712 83 2S 0.15094 0.35324 -0.10078 -0.01946 -0.20289 84 10 C 1S 0.00193 0.00908 -0.00924 0.00592 -0.00603 85 2S 0.13651 0.12216 -0.02454 0.04855 -0.00711 86 2PX 0.00267 0.03090 -0.01806 -0.06373 0.02641 87 2PY -0.01730 -0.02124 0.01261 -0.01272 -0.00518 88 2PZ -0.03937 0.05156 0.01164 0.07342 0.00804 89 3S -1.02264 -1.18786 0.10273 -0.16113 0.63320 90 3PX 0.28367 -0.16693 -0.59425 -0.67254 -0.60317 91 3PY 1.35658 1.02324 -0.18997 0.14525 -0.95451 92 3PZ -0.40837 -0.00985 0.47265 0.42460 0.55861 93 4XX -0.25045 0.21358 0.19820 0.38611 0.06681 94 4YY 0.12168 -0.08401 0.04016 -0.02893 -0.02743 95 4ZZ 0.06956 -0.15922 -0.26155 -0.35421 -0.02993 96 4XY -0.04246 0.04954 0.05007 0.11855 -0.00847 97 4XZ -0.09957 -0.02550 0.06081 0.16166 0.12386 98 4YZ -0.03098 -0.00868 -0.02813 -0.04198 -0.02562 99 11 O 1S -0.00873 -0.00337 0.00166 -0.00060 0.00456 100 2S -0.11997 -0.15198 -0.06053 0.03528 0.11933 101 2PX -0.02785 -0.00183 -0.03205 -0.02532 0.02969 102 2PY 0.08094 -0.04649 -0.02375 0.01961 -0.01216 103 2PZ 0.03439 -0.02280 0.01222 0.03524 -0.01277 104 3S 0.78601 0.52736 0.12843 -0.08584 -0.57117 105 3PX 0.14608 0.01206 0.14527 0.15421 -0.17397 106 3PY 0.10926 0.09279 0.02785 -0.02069 -0.09448 107 3PZ -0.10467 0.06162 -0.09602 -0.14086 0.07564 108 4XX 0.00889 0.09746 -0.07810 -0.17808 -0.04092 109 4YY -0.07758 -0.05994 -0.02005 0.00384 0.06573 110 4ZZ 0.04748 -0.09764 0.09373 0.18289 0.00468 111 4XY 0.15197 0.05335 0.10678 0.14176 -0.14442 112 4XZ -0.04324 0.02884 -0.01407 -0.10688 0.01580 113 4YZ -0.15216 0.08089 -0.08836 -0.13647 0.04404 114 12 O 1S 0.00874 0.00337 0.00166 -0.00060 -0.00456 115 2S 0.12003 0.15200 -0.06052 0.03529 -0.11935 116 2PX 0.02786 0.00182 -0.03205 -0.02533 -0.02970 117 2PY 0.08093 -0.04649 0.02375 -0.01961 -0.01216 118 2PZ -0.03439 0.02281 0.01222 0.03524 0.01277 119 3S -0.78621 -0.52742 0.12841 -0.08588 0.57121 120 3PX -0.14610 -0.01203 0.14527 0.15422 0.17397 121 3PY 0.10931 0.09280 -0.02785 0.02070 -0.09449 122 3PZ 0.10467 -0.06165 -0.09602 -0.14087 -0.07564 123 4XX -0.00888 -0.09748 -0.07811 -0.17807 0.04089 124 4YY 0.07759 0.05994 -0.02005 0.00385 -0.06572 125 4ZZ -0.04749 0.09766 0.09373 0.18288 -0.00466 126 4XY 0.15199 0.05333 -0.10678 -0.14178 -0.14443 127 4XZ 0.04323 -0.02885 -0.01407 -0.10686 -0.01581 128 4YZ -0.15217 0.08091 0.08836 0.13647 0.04405 129 13 C 1S -0.01483 0.00361 -0.02099 0.00406 0.03352 130 2S -0.11837 0.01562 -0.27618 0.44605 0.61983 131 2PX 0.13930 0.10618 0.04709 0.00798 -0.01794 132 2PY 0.04928 0.02713 -0.04525 0.12688 0.11548 133 2PZ -0.11400 -0.09361 -0.01822 -0.01919 -0.03542 134 3S 1.50749 0.75592 1.19659 -1.14803 -1.36119 135 3PX -0.14285 0.05689 0.28011 -0.28065 -0.03167 136 3PY 0.54044 0.52922 0.86403 -0.94466 -0.78758 137 3PZ -0.15562 -0.01322 0.09868 -0.01262 0.17788 138 4XX -0.03865 0.07375 0.37010 -0.22214 -0.27570 139 4YY -0.03168 -0.10545 0.04921 0.02538 0.00054 140 4ZZ 0.13780 0.07435 -0.39906 0.09773 0.23377 141 4XY -0.10947 -0.04073 -0.04595 -0.02739 -0.06001 142 4XZ 0.33060 0.22045 -0.10664 0.01853 -0.00039 143 4YZ 0.00963 0.09794 0.32178 -0.19646 -0.05349 144 14 C 1S 0.02252 0.02643 0.02104 -0.01345 0.00602 145 2S 0.47229 0.46189 0.20448 -0.03959 0.14745 146 2PX -0.14744 -0.11329 -0.00223 -0.03192 -0.04240 147 2PY -0.01639 0.00503 0.15862 -0.08529 -0.02243 148 2PZ 0.11915 0.05380 -0.05999 0.05040 0.08393 149 3S -2.14895 -2.11731 -0.68175 0.54763 0.31483 150 3PX 1.04009 0.75599 0.32115 -0.24141 0.10431 151 3PY -0.91323 -0.94792 -0.24943 0.20408 -0.04883 152 3PZ -0.74668 -0.56940 -0.39647 0.24279 0.30563 153 4XX -0.14337 -0.02489 0.36815 -0.17403 -0.28606 154 4YY 0.01879 0.00461 -0.16995 0.06329 -0.01730 155 4ZZ 0.13737 0.01129 -0.14792 0.05699 0.30469 156 4XY -0.03729 -0.06726 0.02328 -0.08514 0.32172 157 4XZ 0.21796 0.16332 0.22201 -0.03237 0.00130 158 4YZ 0.06859 -0.07490 0.12451 -0.02523 0.39405 159 15 C 1S -0.02253 -0.02643 0.02104 -0.01344 -0.00602 160 2S -0.47233 -0.46191 0.20449 -0.03957 -0.14745 161 2PX 0.14744 0.11329 -0.00223 -0.03192 0.04240 162 2PY -0.01638 0.00504 -0.15862 0.08529 -0.02242 163 2PZ -0.11917 -0.05379 -0.05999 0.05041 -0.08392 164 3S 2.14918 2.11740 -0.68179 0.54757 -0.31480 165 3PX -1.04022 -0.75602 0.32117 -0.24138 -0.10433 166 3PY -0.91329 -0.94795 0.24945 -0.20402 -0.04885 167 3PZ 0.74676 0.56945 -0.39649 0.24280 -0.30562 168 4XX 0.14341 0.02487 0.36814 -0.17405 0.28605 169 4YY -0.01878 -0.00460 -0.16995 0.06328 0.01730 170 4ZZ -0.13742 -0.01128 -0.14792 0.05701 -0.30469 171 4XY -0.03726 -0.06725 -0.02328 0.08511 0.32173 172 4XZ -0.21799 -0.16333 0.22200 -0.03236 -0.00130 173 4YZ 0.06854 -0.07489 -0.12451 0.02521 0.39405 174 16 C 1S 0.01483 -0.00361 -0.02098 0.00406 -0.03352 175 2S 0.11854 -0.01557 -0.27617 0.44611 -0.61980 176 2PX -0.13930 -0.10618 0.04709 0.00798 0.01794 177 2PY 0.04924 0.02711 0.04525 -0.12689 0.11547 178 2PZ 0.11400 0.09361 -0.01823 -0.01919 0.03542 179 3S -1.50790 -0.75606 1.19658 -1.14815 1.36113 180 3PX 0.14279 -0.05693 0.28013 -0.28064 0.03164 181 3PY 0.54071 0.52934 -0.86403 0.94468 -0.78749 182 3PZ 0.15566 0.01322 0.09868 -0.01261 -0.17788 183 4XX 0.03870 -0.07378 0.37009 -0.22215 0.27568 184 4YY 0.03167 0.10545 0.04921 0.02536 -0.00054 185 4ZZ -0.13788 -0.07433 -0.39905 0.09776 -0.23376 186 4XY -0.10943 -0.04073 0.04595 0.02739 -0.06001 187 4XZ -0.33061 -0.22044 -0.10664 0.01854 0.00039 188 4YZ 0.00967 0.09796 -0.32178 0.19645 -0.05348 189 17 H 1S 0.01685 0.15345 0.11562 -0.14642 -0.01787 190 2S 0.06953 0.08342 0.20082 -0.23398 -0.19491 191 18 H 1S -0.05264 0.00985 -0.00202 -0.00366 -0.02494 192 2S -0.41404 -0.31862 -0.15464 0.10105 0.00037 193 19 H 1S 0.05260 -0.00984 -0.00202 -0.00365 0.02493 194 2S 0.41409 0.31863 -0.15464 0.10103 -0.00036 195 20 H 1S -0.01687 -0.15347 0.11562 -0.14640 0.01785 196 2S -0.06960 -0.08346 0.20082 -0.23398 0.19489 197 21 C 1S 0.00000 0.00000 0.02734 -0.02302 0.00000 198 2S 0.00004 0.00001 -0.25771 0.01086 0.00000 199 2PX 0.00000 0.00000 -0.08498 0.04417 0.00000 200 2PY 0.06177 0.08284 0.00000 0.00000 -0.07226 201 2PZ -0.00003 -0.00001 0.16574 -0.09533 0.00000 202 3S 0.00016 0.00007 -1.01101 1.37875 0.00005 203 3PX 0.00008 0.00002 -0.15457 0.36881 0.00001 204 3PY 0.25242 0.04132 0.00000 0.00001 -0.20040 205 3PZ 0.00002 -0.00002 0.38373 -0.30662 -0.00001 206 4XX 0.00003 0.00001 0.07458 0.12230 0.00001 207 4YY -0.00002 -0.00002 0.15176 -0.25642 -0.00002 208 4ZZ -0.00002 0.00001 -0.15229 0.12281 0.00001 209 4XY 0.11475 0.13272 0.00000 -0.00001 0.09854 210 4XZ 0.00002 0.00001 -0.04761 0.11178 0.00000 211 4YZ 0.03341 0.09814 0.00000 0.00000 -0.04587 212 22 H 1S 0.00000 -0.00001 0.04230 -0.06267 -0.00001 213 2S 0.00001 0.00001 -0.06035 0.01873 0.00000 214 23 H 1S -0.00004 -0.00001 0.09556 -0.23992 -0.00001 215 2S -0.00004 0.00000 -0.11541 -0.00862 0.00000 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 -0.01223 0.05232 0.00284 -0.02380 0.00307 2 2S -0.26063 0.37821 0.20855 -0.20479 -0.04038 3 2PX 0.00654 -0.05210 0.04383 0.02955 -0.02644 4 2PY 0.25679 -0.19956 -0.05294 0.10281 0.09946 5 2PZ 0.03211 0.04064 0.01029 -0.03393 0.00521 6 3S 0.42565 -1.91548 -1.54227 0.82082 -1.19148 7 3PX 0.40698 -0.59087 -0.67970 0.30880 -0.25753 8 3PY 1.22384 -0.51451 0.34347 0.10646 0.96549 9 3PZ -0.32000 0.43145 0.63193 -0.22345 0.19114 10 4XX 0.18446 -0.00801 -0.10347 0.00735 0.16194 11 4YY -0.27811 -0.18171 0.07200 0.07713 -0.14502 12 4ZZ 0.03473 0.26198 -0.00409 -0.09242 -0.05660 13 4XY -0.24772 -0.21585 -0.21614 0.09206 0.02966 14 4XZ -0.27315 0.29875 -0.02208 -0.14262 -0.06855 15 4YZ -0.07799 0.12423 -0.22257 -0.06738 0.09637 16 2 H 1S -0.27931 0.06678 -0.07168 -0.01432 -0.12229 17 2S -0.03550 -0.04770 -0.20425 0.04635 -0.15460 18 3 C 1S 0.01223 0.05232 -0.00282 -0.02381 -0.00306 19 2S 0.26063 0.37820 -0.20841 -0.20492 0.04040 20 2PX -0.00653 -0.05209 -0.04385 0.02952 0.02643 21 2PY 0.25679 0.19956 -0.05287 -0.10285 0.09948 22 2PZ -0.03211 0.04064 -0.01027 -0.03394 -0.00520 23 3S -0.42568 -1.91546 1.54172 0.82183 1.19133 24 3PX -0.40694 -0.59084 0.67950 0.30924 0.25750 25 3PY 1.22386 0.51451 0.34353 -0.10624 0.96550 26 3PZ 0.32001 0.43144 -0.63178 -0.22386 -0.19110 27 4XX -0.18446 -0.00800 0.10346 0.00742 -0.16194 28 4YY 0.27812 -0.18172 -0.07204 0.07709 0.14501 29 4ZZ -0.03475 0.26198 0.00415 -0.09242 0.05661 30 4XY -0.24771 0.21585 -0.21609 -0.09220 0.02968 31 4XZ 0.27315 0.29874 0.02217 -0.14261 0.06858 32 4YZ -0.07801 -0.12424 -0.22261 0.06724 0.09635 33 4 H 1S 0.27931 0.06678 0.07169 -0.01428 0.12229 34 2S 0.03550 -0.04770 0.20422 0.04648 0.15460 35 5 C 1S 0.00355 -0.00394 0.01168 0.02053 -0.00080 36 2S 0.12953 -0.01794 0.14408 -0.00390 -0.01704 37 2PX -0.06562 -0.20077 -0.00680 0.03324 -0.07922 38 2PY 0.02134 -0.00505 0.00369 -0.02440 0.05938 39 2PZ -0.00068 0.12019 -0.00527 -0.04749 0.00891 40 3S -0.93929 -0.03075 -1.20626 -0.35541 -0.73488 41 3PX -1.87114 -1.82692 0.28225 0.55315 -0.49643 42 3PY -0.46280 -0.03958 -1.29379 -0.37642 -1.41637 43 3PZ 1.17022 1.21606 -0.19345 -0.28857 0.16800 44 4XX -0.03414 -0.17768 0.07428 0.08024 -0.08258 45 4YY -0.06211 0.03066 -0.03925 -0.04068 0.02639 46 4ZZ 0.04659 0.13958 -0.05519 0.01705 0.03784 47 4XY 0.08117 -0.13503 -0.14343 0.03822 0.08913 48 4XZ -0.11572 -0.13071 -0.04109 0.16401 -0.13923 49 4YZ -0.03978 0.14133 -0.05558 -0.05270 0.00014 50 6 C 1S -0.01274 -0.03970 -0.02480 -0.00386 -0.03337 51 2S -0.55284 -0.51717 -0.12417 0.21063 -0.77605 52 2PX 0.04861 -0.03599 0.03777 0.02979 0.05838 53 2PY -0.11828 -0.19552 0.15217 0.04684 -0.00273 54 2PZ -0.10339 -0.02021 -0.04330 0.04469 -0.12948 55 3S 2.13236 1.96114 1.82098 -0.31026 3.47672 56 3PX -1.40545 -0.68075 -0.94695 -0.02154 -0.67729 57 3PY -0.78551 -0.42045 1.02739 0.10028 1.02639 58 3PZ 0.98629 0.64098 0.79372 -0.06144 1.45693 59 4XX 0.10145 -0.06129 0.06521 0.04920 0.14617 60 4YY -0.19657 0.17498 0.19656 -0.11202 -0.06363 61 4ZZ 0.16857 -0.09841 -0.24409 -0.01343 0.05154 62 4XY -0.23111 0.25461 -0.29342 -0.01966 -0.03636 63 4XZ -0.18860 -0.18407 0.11988 0.05903 0.13728 64 4YZ -0.16610 -0.22519 -0.35319 0.01426 0.02525 65 7 H 1S -0.06751 0.08587 0.32661 0.04902 0.08800 66 2S 0.17722 0.10171 0.29124 -0.01609 0.37169 67 8 C 1S 0.01274 -0.03971 0.02480 -0.00385 0.03337 68 2S 0.55284 -0.51719 0.12401 0.21071 0.77604 69 2PX -0.04862 -0.03598 -0.03779 0.02977 -0.05837 70 2PY -0.11827 0.19552 0.15221 -0.04674 -0.00273 71 2PZ 0.10339 -0.02021 0.04327 0.04472 0.12948 72 3S -2.13233 1.96125 -1.82073 -0.31143 -3.47667 73 3PX 1.40541 -0.68074 0.94697 -0.02093 0.67731 74 3PY -0.78554 0.42050 1.02744 -0.09962 1.02640 75 3PZ -0.98628 0.64100 -0.79367 -0.06195 -1.45693 76 4XX -0.10143 -0.06131 -0.06524 0.04916 -0.14617 77 4YY 0.19657 0.17499 -0.19647 -0.11215 0.06364 78 4ZZ -0.16859 -0.09840 0.24409 -0.01327 -0.05155 79 4XY -0.23112 -0.25460 -0.29344 0.01946 -0.03636 80 4XZ 0.18861 -0.18407 -0.11993 0.05896 -0.13727 81 4YZ -0.16612 0.22519 -0.35316 -0.01450 0.02525 82 9 H 1S 0.06753 0.08585 -0.32663 0.04881 -0.08800 83 2S -0.17723 0.10170 -0.29123 -0.01628 -0.37170 84 10 C 1S -0.00354 -0.00394 -0.01169 0.02052 0.00080 85 2S -0.12953 -0.01794 -0.14408 -0.00399 0.01703 86 2PX 0.06561 -0.20077 0.00678 0.03325 0.07922 87 2PY 0.02134 0.00506 0.00368 0.02441 0.05938 88 2PZ 0.00069 0.12019 0.00530 -0.04748 -0.00891 89 3S 0.93928 -0.03077 1.20645 -0.35465 0.73495 90 3PX 1.87108 -1.82697 -0.28268 0.55297 0.49629 91 3PY -0.46286 0.03963 -1.29404 0.37555 -1.41649 92 3PZ -1.17020 1.21610 0.19366 -0.28844 -0.16794 93 4XX 0.03419 -0.17768 -0.07434 0.08020 0.08259 94 4YY 0.06210 0.03065 0.03929 -0.04066 -0.02639 95 4ZZ -0.04663 0.13958 0.05518 0.01708 -0.03786 96 4XY 0.08118 0.13503 -0.14340 -0.03831 0.08914 97 4XZ 0.11573 -0.13071 0.04099 0.16403 0.13920 98 4YZ -0.03978 -0.14133 -0.05561 0.05266 0.00013 99 11 O 1S 0.00134 0.00137 0.00987 0.00090 0.00461 100 2S 0.04375 -0.01269 0.17799 0.09531 0.18897 101 2PX -0.05297 -0.07949 0.00771 0.02234 -0.00868 102 2PY 0.02057 -0.01608 0.02812 0.03115 -0.01422 103 2PZ 0.03313 0.05600 0.00533 -0.00178 0.00449 104 3S -0.15470 -0.05206 -0.75845 -0.25755 -0.91360 105 3PX 0.39699 0.43272 -0.13628 -0.13796 0.06355 106 3PY -0.02320 -0.02019 -0.14532 -0.06751 -0.16722 107 3PZ -0.23552 -0.28809 -0.02221 0.04069 -0.06289 108 4XX 0.07660 0.09974 -0.01667 -0.00471 -0.01539 109 4YY -0.02002 -0.02451 0.05908 0.01200 0.08901 110 4ZZ -0.03129 -0.07794 0.04791 0.01663 -0.05407 111 4XY 0.36592 0.26904 -0.19799 -0.06681 0.09148 112 4XZ 0.05869 0.03487 -0.02264 -0.04041 0.01990 113 4YZ -0.17775 -0.15529 -0.03570 0.02554 -0.02688 114 12 O 1S -0.00134 0.00137 -0.00987 0.00090 -0.00461 115 2S -0.04375 -0.01269 -0.17806 0.09519 -0.18900 116 2PX 0.05297 -0.07949 -0.00773 0.02234 0.00867 117 2PY 0.02057 0.01608 0.02814 -0.03114 -0.01421 118 2PZ -0.03313 0.05600 -0.00533 -0.00178 -0.00449 119 3S 0.15470 -0.05206 0.75864 -0.25704 0.91366 120 3PX -0.39698 0.43274 0.13637 -0.13786 -0.06353 121 3PY -0.02319 0.02018 -0.14537 0.06742 -0.16724 122 3PZ 0.23551 -0.28810 0.02218 0.04071 0.06288 123 4XX -0.07660 0.09973 0.01666 -0.00469 0.01539 124 4YY 0.02000 -0.02450 -0.05908 0.01196 -0.08901 125 4ZZ 0.03131 -0.07794 -0.04792 0.01660 0.05407 126 4XY 0.36591 -0.26906 -0.19804 0.06669 0.09146 127 4XZ -0.05870 0.03488 0.02266 -0.04039 -0.01989 128 4YZ -0.17774 0.15529 -0.03568 -0.02556 -0.02687 129 13 C 1S -0.00161 0.00485 -0.00477 0.00342 0.05211 130 2S -0.07745 0.02818 0.18862 0.04650 0.76497 131 2PX -0.03507 0.02267 -0.03833 -0.02288 -0.07548 132 2PY -0.05865 0.05406 0.04846 -0.01903 0.11515 133 2PZ 0.05413 0.03557 0.03252 0.02771 -0.04893 134 3S -0.61825 -0.07547 -0.48766 -0.36067 -2.23884 135 3PX -0.16096 -0.24543 0.27721 0.07298 0.19883 136 3PY -0.18342 -0.09707 -0.18139 0.06524 -1.15575 137 3PZ 0.09107 0.28298 0.05920 0.13630 0.30281 138 4XX -0.02068 0.06016 0.17821 0.08196 -0.26871 139 4YY 0.12184 -0.05843 -0.08709 -0.20343 -0.19043 140 4ZZ -0.11788 0.00368 -0.15608 0.09497 0.36276 141 4XY -0.02859 0.03169 0.16830 0.23761 0.15337 142 4XZ -0.19731 -0.04619 0.00553 0.09449 0.00759 143 4YZ -0.11088 0.10516 0.16350 0.25319 0.10488 144 14 C 1S -0.01863 -0.01344 0.00246 -0.00947 0.00304 145 2S -0.38720 -0.23818 -0.23386 -0.26570 -0.02650 146 2PX 0.09334 0.05391 0.04738 0.05317 -0.06035 147 2PY -0.00333 -0.05675 0.01785 -0.06228 -0.02949 148 2PZ -0.05058 -0.03372 -0.03591 -0.04273 0.01442 149 3S 1.62528 0.50328 0.56897 0.34546 1.03772 150 3PX -0.64824 -0.28107 -0.47196 -0.24606 -0.56111 151 3PY 0.61192 0.07406 0.25665 0.03622 0.18851 152 3PZ 0.48340 0.13938 -0.07456 0.07887 0.21267 153 4XX 0.03776 0.05106 0.33921 0.12610 -0.09269 154 4YY -0.00764 0.05515 -0.01649 0.09445 -0.08892 155 4ZZ -0.00162 -0.10367 -0.25449 -0.19487 0.19344 156 4XY 0.05796 -0.05582 -0.07206 0.00521 -0.27711 157 4XZ -0.08892 -0.09989 0.17971 -0.08696 0.00686 158 4YZ 0.05981 0.04884 -0.10655 0.01210 -0.41265 159 15 C 1S 0.01863 -0.01344 -0.00246 -0.00947 -0.00304 160 2S 0.38719 -0.23816 0.23404 -0.26555 0.02649 161 2PX -0.09334 0.05390 -0.04742 0.05314 0.06035 162 2PY -0.00332 0.05675 0.01781 0.06229 -0.02949 163 2PZ 0.05059 -0.03372 0.03593 -0.04270 -0.01442 164 3S -1.62526 0.50328 -0.56920 0.34516 -1.03769 165 3PX 0.64823 -0.28108 0.47212 -0.24578 0.56109 166 3PY 0.61190 -0.07404 0.25667 -0.03608 0.18850 167 3PZ -0.48339 0.13937 0.07451 0.07894 -0.21266 168 4XX -0.03778 0.05107 -0.33930 0.12588 0.09270 169 4YY 0.00764 0.05514 0.01643 0.09446 0.08892 170 4ZZ 0.00163 -0.10367 0.25463 -0.19470 -0.19344 171 4XY 0.05797 0.05584 -0.07206 -0.00526 -0.27710 172 4XZ 0.08892 -0.09988 -0.17966 -0.08707 -0.00686 173 4YZ 0.05981 -0.04882 -0.10654 -0.01218 -0.41265 174 16 C 1S 0.00161 0.00485 0.00477 0.00343 -0.05211 175 2S 0.07748 0.02822 -0.18865 0.04639 -0.76496 176 2PX 0.03507 0.02267 0.03835 -0.02285 0.07548 177 2PY -0.05866 -0.05407 0.04844 0.01906 0.11515 178 2PZ -0.05413 0.03556 -0.03253 0.02769 0.04893 179 3S 0.61821 -0.07556 0.48792 -0.36038 2.23881 180 3PX 0.16095 -0.24543 -0.27727 0.07279 -0.19886 181 3PY -0.18338 0.09714 -0.18134 -0.06532 -1.15572 182 3PZ -0.09108 0.28301 -0.05929 0.13627 -0.30280 183 4XX 0.02066 0.06017 -0.17827 0.08184 0.26872 184 4YY -0.12184 -0.05845 0.08723 -0.20336 0.19042 185 4ZZ 0.11789 0.00370 0.15602 0.09506 -0.36276 186 4XY -0.02859 -0.03170 0.16846 -0.23750 0.15338 187 4XZ 0.19731 -0.04618 -0.00559 0.09448 -0.00759 188 4YZ -0.11086 -0.10518 0.16366 -0.25308 0.10488 189 17 H 1S -0.09630 0.03000 0.07518 0.16760 0.12249 190 2S 0.03505 -0.09312 -0.02726 0.00987 -0.32127 191 18 H 1S 0.00426 -0.07352 0.08578 -0.04546 0.06340 192 2S 0.24860 0.10548 0.05600 0.07698 0.07438 193 19 H 1S -0.00426 -0.07351 -0.08575 -0.04552 -0.06341 194 2S -0.24860 0.10548 -0.05605 0.07696 -0.07437 195 20 H 1S 0.09629 0.03001 -0.07530 0.16754 -0.12249 196 2S -0.03506 -0.09315 0.02725 0.00988 0.32127 197 21 C 1S 0.00000 0.03914 0.00000 0.00382 0.00000 198 2S 0.00000 0.52144 0.00005 -0.12621 0.00002 199 2PX 0.00000 -0.00770 -0.00003 0.08425 0.00000 200 2PY -0.03029 0.00000 -0.00217 0.00000 -0.09671 201 2PZ 0.00000 -0.04850 0.00000 -0.00664 0.00000 202 3S 0.00003 -1.37387 -0.00009 0.20966 -0.00002 203 3PX 0.00001 0.35873 0.00008 -0.18721 0.00002 204 3PY -0.00760 0.00001 -0.14737 -0.00005 -0.50122 205 3PZ 0.00000 0.31661 0.00001 0.01885 0.00001 206 4XX 0.00000 -0.17746 0.00016 -0.46005 0.00000 207 4YY -0.00001 -0.02768 0.00002 -0.08764 0.00000 208 4ZZ 0.00000 0.16108 -0.00020 0.60317 0.00000 209 4XY -0.20429 -0.00001 0.15711 0.00005 0.24500 210 4XZ 0.00001 0.20084 -0.00020 0.63971 0.00000 211 4YZ -0.07328 -0.00001 -0.03493 -0.00001 0.21768 212 22 H 1S 0.00000 0.26325 -0.00015 0.46095 0.00001 213 2S 0.00000 0.37984 0.00016 -0.45791 0.00001 214 23 H 1S -0.00001 -0.07085 0.00013 -0.39839 0.00000 215 2S 0.00000 -0.01815 -0.00006 0.15497 -0.00001 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 0.00957 0.00600 0.03541 0.04325 0.02773 2 2S 0.10403 0.10469 0.12077 0.04456 0.21508 3 2PX -0.00826 0.03028 -0.10576 -0.01745 -0.02739 4 2PY -0.06189 -0.05949 -0.15056 0.19596 -0.01839 5 2PZ 0.03708 0.01273 0.07274 0.01941 -0.03203 6 3S -0.25993 0.04298 -0.82262 -1.23731 -1.43931 7 3PX -0.15486 -0.12663 -0.51709 -0.12001 -0.64862 8 3PY 0.02619 -0.72778 0.16165 0.72625 0.02913 9 3PZ 0.09465 0.21690 0.37896 0.11582 0.48820 10 4XX 0.02304 -0.18113 -0.06861 -0.01412 0.04926 11 4YY -0.04527 0.09324 0.00711 -0.35129 -0.00295 12 4ZZ 0.00845 0.11148 0.08904 0.34975 -0.04902 13 4XY -0.04719 -0.21172 -0.10455 0.09808 0.32609 14 4XZ 0.07507 0.06879 0.26445 0.20517 0.23733 15 4YZ 0.06475 -0.26596 0.06527 -0.26372 0.28899 16 2 H 1S -0.01769 0.07995 0.01272 0.19595 0.11129 17 2S -0.03288 0.05186 -0.16389 -0.19251 -0.18823 18 3 C 1S 0.00957 -0.00600 0.03541 -0.04325 -0.02773 19 2S 0.10401 -0.10472 0.12077 -0.04457 -0.21506 20 2PX -0.00826 -0.03027 -0.10576 0.01745 0.02740 21 2PY 0.06188 -0.05951 0.15056 0.19596 -0.01840 22 2PZ 0.03707 -0.01274 0.07274 -0.01941 0.03203 23 3S -0.25995 -0.04290 -0.82267 1.23733 1.43928 24 3PX -0.15484 0.12666 -0.51711 0.12004 0.64860 25 3PY -0.02637 -0.72778 -0.16165 0.72625 0.02913 26 3PZ 0.09460 -0.21693 0.37897 -0.11583 -0.48819 27 4XX 0.02309 0.18111 -0.06860 0.01413 -0.04926 28 4YY -0.04530 -0.09321 0.00711 0.35127 0.00296 29 4ZZ 0.00842 -0.11149 0.08903 -0.34975 0.04900 30 4XY 0.04713 -0.21174 0.10454 0.09809 0.32608 31 4XZ 0.07506 -0.06882 0.26445 -0.20519 -0.23730 32 4YZ -0.06482 -0.26593 -0.06530 -0.26371 0.28901 33 4 H 1S -0.01771 -0.07994 0.01272 -0.19596 -0.11127 34 2S -0.03289 -0.05185 -0.16389 0.19252 0.18821 35 5 C 1S -0.03278 0.00638 -0.10132 -0.00090 0.01827 36 2S -0.04014 0.04554 -0.47001 -0.11519 0.07227 37 2PX 0.01130 0.03319 0.01965 -0.00080 0.04035 38 2PY 0.04629 -0.06222 0.11337 -0.02370 -0.05358 39 2PZ 0.03789 -0.00534 -0.04167 0.05861 0.02044 40 3S 0.79267 0.09978 2.67718 0.30065 -0.43850 41 3PX 0.13259 0.80673 0.60045 0.07608 0.72750 42 3PY 0.18375 0.46262 1.49406 0.35841 -0.26583 43 3PZ -0.05300 -0.39414 -0.23542 0.11733 -0.37185 44 4XX 0.05841 0.19295 0.02168 0.12812 -0.27956 45 4YY 0.05898 -0.03284 0.21189 0.07613 -0.01150 46 4ZZ -0.20702 -0.14330 -0.34242 -0.17939 0.32066 47 4XY -0.01755 -0.08383 0.13447 0.08284 -0.03820 48 4XZ -0.14315 0.08743 -0.50529 0.06308 -0.05992 49 4YZ -0.02253 -0.05109 0.16964 -0.36892 -0.23044 50 6 C 1S 0.01063 0.04662 0.04785 0.05094 0.02221 51 2S 0.20816 0.67025 0.35081 0.15413 0.34808 52 2PX 0.08673 0.01536 0.12312 0.03478 -0.01297 53 2PY 0.05536 0.00756 0.21655 -0.19760 -0.02321 54 2PZ 0.02759 0.03717 -0.05981 0.02178 0.03869 55 3S -0.49250 -2.90238 -1.89784 -2.08819 -1.32967 56 3PX 0.14073 -0.16726 0.82219 0.47812 0.05370 57 3PY 0.07543 -0.33162 0.16074 -1.24146 -0.12489 58 3PZ -0.19606 -0.72675 -0.61205 -0.47652 -0.44242 59 4XX 0.04103 -0.02110 -0.10589 0.17339 -0.17352 60 4YY -0.03977 0.04725 -0.05247 -0.42737 -0.05204 61 4ZZ -0.03676 -0.09752 0.13643 0.21368 0.14303 62 4XY -0.04343 -0.04170 -0.18989 0.32100 -0.12997 63 4XZ 0.09634 -0.05328 0.34271 0.20800 -0.08965 64 4YZ 0.04589 -0.09564 0.13180 -0.09354 -0.41213 65 7 H 1S 0.04279 0.18001 0.00014 0.09915 0.11228 66 2S -0.07189 -0.01083 -0.10446 -0.34705 -0.11125 67 8 C 1S 0.01062 -0.04663 0.04785 -0.05094 -0.02221 68 2S 0.20799 -0.67030 0.35078 -0.15413 -0.34806 69 2PX 0.08673 -0.01538 0.12311 -0.03479 0.01296 70 2PY -0.05536 0.00758 -0.21656 -0.19760 -0.02321 71 2PZ 0.02758 -0.03718 -0.05982 -0.02178 -0.03869 72 3S -0.49177 2.90252 -1.89769 2.08824 1.32963 73 3PX 0.14077 0.16723 0.82216 -0.47816 -0.05367 74 3PY -0.07553 -0.33159 -0.16086 -1.24144 -0.12487 75 3PZ -0.19587 0.72681 -0.61201 0.47654 0.44239 76 4XX 0.04104 0.02109 -0.10588 -0.17337 0.17348 77 4YY -0.03979 -0.04724 -0.05246 0.42735 0.05206 78 4ZZ -0.03674 0.09753 0.13642 -0.21368 -0.14303 79 4XY 0.04341 -0.04170 0.18990 0.32101 -0.12998 80 4XZ 0.09635 0.05326 0.34271 -0.20802 0.08966 81 4YZ -0.04592 -0.09563 -0.13181 -0.09354 -0.41213 82 9 H 1S 0.04275 -0.18002 0.00015 -0.09917 -0.11228 83 2S -0.07188 0.01084 -0.10444 0.34706 0.11124 84 10 C 1S -0.03278 -0.00637 -0.10132 0.00091 -0.01828 85 2S -0.04016 -0.04553 -0.47001 0.11522 -0.07231 86 2PX 0.01129 -0.03319 0.01964 0.00080 -0.04034 87 2PY -0.04630 -0.06221 -0.11338 -0.02370 -0.05359 88 2PZ 0.03789 0.00533 -0.04168 -0.05861 -0.02043 89 3S 0.79267 -0.09999 2.67716 -0.30072 0.43854 90 3PX 0.13240 -0.80674 0.60042 -0.07609 -0.72748 91 3PY -0.18362 0.46271 -1.49401 0.35847 -0.26588 92 3PZ -0.05291 0.39415 -0.23544 -0.11733 0.37188 93 4XX 0.05836 -0.19297 0.02166 -0.12810 0.27951 94 4YY 0.05898 0.03284 0.21190 -0.07616 0.01158 95 4ZZ -0.20698 0.14336 -0.34240 0.17941 -0.32070 96 4XY 0.01753 -0.08382 -0.13447 0.08284 -0.03817 97 4XZ -0.14317 -0.08738 -0.50530 -0.06308 0.05992 98 4YZ 0.02252 -0.05109 -0.16964 -0.36893 -0.23038 99 11 O 1S 0.00663 0.00066 0.00904 -0.00133 -0.00039 100 2S -0.03234 -0.03057 -0.29676 -0.05838 0.07279 101 2PX -0.00769 0.02195 0.00989 0.02084 0.02084 102 2PY -0.03656 0.01885 -0.12539 -0.01716 0.02456 103 2PZ -0.00901 -0.00616 -0.02012 -0.01170 -0.01114 104 3S -0.08198 0.26131 0.57449 0.21374 -0.14363 105 3PX -0.02377 -0.16675 -0.08228 -0.04508 -0.19603 106 3PY -0.01549 0.03126 0.14991 0.06115 -0.04235 107 3PZ -0.00340 0.06519 0.12570 -0.12060 -0.00272 108 4XX -0.03715 -0.02040 -0.06366 -0.05360 0.10376 109 4YY 0.04025 -0.05089 0.06445 0.04059 0.00331 110 4ZZ 0.02784 0.09059 0.01529 -0.00208 -0.10271 111 4XY -0.03300 -0.12223 -0.00210 0.06386 -0.16201 112 4XZ 0.01102 -0.03112 0.10130 -0.04282 0.00931 113 4YZ -0.05799 -0.00617 0.13731 -0.35544 -0.15039 114 12 O 1S 0.00663 -0.00066 0.00904 0.00133 0.00039 115 2S -0.03233 0.03057 -0.29676 0.05841 -0.07284 116 2PX -0.00770 -0.02195 0.00989 -0.02084 -0.02084 117 2PY 0.03656 0.01885 0.12539 -0.01717 0.02459 118 2PZ -0.00900 0.00617 -0.02012 0.01171 0.01114 119 3S -0.08206 -0.26130 0.57445 -0.21378 0.14374 120 3PX -0.02373 0.16676 -0.08229 0.04508 0.19601 121 3PY 0.01550 0.03125 -0.14990 0.06117 -0.04240 122 3PZ -0.00342 -0.06519 0.12570 0.12060 0.00269 123 4XX -0.03714 0.02040 -0.06366 0.05361 -0.10379 124 4YY 0.04026 0.05089 0.06445 -0.04060 -0.00328 125 4ZZ 0.02781 -0.09060 0.01529 0.00208 0.10269 126 4XY 0.03297 -0.12223 0.00211 0.06384 -0.16196 127 4XZ 0.01103 0.03111 0.10130 0.04281 -0.00932 128 4YZ 0.05799 -0.00618 -0.13732 -0.35545 -0.15033 129 13 C 1S 0.06908 -0.04743 -0.01492 -0.01532 -0.02163 130 2S 0.12619 -0.99852 -0.01291 0.08100 -0.43434 131 2PX -0.05781 0.00506 -0.06339 0.00381 0.04424 132 2PY -0.17532 -0.22060 0.00787 0.04129 -0.12112 133 2PZ -0.06307 0.02025 0.05348 -0.02633 -0.04183 134 3S -2.35365 2.26877 0.43301 0.38828 1.33086 135 3PX -0.09951 -0.01187 0.10911 0.09373 0.25379 136 3PY -1.03748 1.32993 0.33853 0.25075 0.84484 137 3PZ -0.08758 -0.71574 -0.09663 0.10283 -0.44470 138 4XX 0.27973 -0.18182 -0.15410 0.02094 0.06775 139 4YY -0.32570 0.11078 0.08378 0.01319 -0.00358 140 4ZZ 0.10986 0.22017 0.03097 -0.08398 -0.00166 141 4XY -0.03440 -0.07532 -0.02671 0.01986 0.03605 142 4XZ 0.45258 -0.13440 -0.01494 -0.03209 -0.10206 143 4YZ -0.22000 -0.21053 0.12411 0.04883 -0.16327 144 14 C 1S -0.02725 -0.00729 0.00625 0.00807 0.03437 145 2S -0.10328 -0.20834 0.17821 0.06900 -0.07947 146 2PX -0.09005 0.10916 -0.03192 0.00209 0.09291 147 2PY -0.09341 -0.01523 0.02771 0.01875 -0.13429 148 2PZ 0.05535 -0.04258 0.01693 -0.00628 -0.03811 149 3S 0.89835 -0.86734 -0.39633 -0.52405 -1.77724 150 3PX -0.47291 0.44178 0.19227 0.16863 0.47861 151 3PY 0.07948 -0.05779 -0.07378 -0.21292 -0.60852 152 3PZ 0.29826 -0.27381 -0.06706 -0.22985 -0.40571 153 4XX 0.16359 -0.25404 -0.02503 0.03096 0.08990 154 4YY -0.01326 0.00548 -0.04743 0.02151 -0.25697 155 4ZZ -0.17099 0.25991 0.06397 -0.05353 0.19783 156 4XY 0.03746 -0.25027 0.03042 0.01731 -0.01709 157 4XZ -0.24069 -0.23745 -0.01983 0.11441 0.07651 158 4YZ -0.00076 -0.24933 -0.04741 -0.01374 -0.04738 159 15 C 1S -0.02725 0.00729 0.00625 -0.00807 -0.03437 160 2S -0.10323 0.20838 0.17821 -0.06900 0.07948 161 2PX -0.09008 -0.10915 -0.03192 -0.00208 -0.09292 162 2PY 0.09341 -0.01525 -0.02771 0.01875 -0.13429 163 2PZ 0.05536 0.04257 0.01693 0.00627 0.03812 164 3S 0.89849 0.86713 -0.39631 0.52405 1.77725 165 3PX -0.47299 -0.44167 0.19226 -0.16863 -0.47861 166 3PY -0.07947 -0.05777 0.07377 -0.21293 -0.60851 167 3PZ 0.29831 0.27375 -0.06706 0.22985 0.40573 168 4XX 0.16364 0.25400 -0.02504 -0.03096 -0.08990 169 4YY -0.01327 -0.00548 -0.04743 -0.02151 0.25697 170 4ZZ -0.17103 -0.25987 0.06398 0.05353 -0.19783 171 4XY -0.03752 -0.25026 -0.03041 0.01731 -0.01710 172 4XZ -0.24062 0.23750 -0.01983 -0.11441 -0.07653 173 4YZ 0.00071 -0.24933 0.04742 -0.01374 -0.04738 174 16 C 1S 0.06909 0.04742 -0.01492 0.01532 0.02164 175 2S 0.12643 0.99851 -0.01289 -0.08100 0.43434 176 2PX -0.05781 -0.00505 -0.06340 -0.00381 -0.04425 177 2PY 0.17526 -0.22064 -0.00787 0.04129 -0.12111 178 2PZ -0.06308 -0.02024 0.05348 0.02632 0.04184 179 3S -2.35418 -2.26827 0.43296 -0.38829 -1.33088 180 3PX -0.09948 0.01189 0.10913 -0.09372 -0.25379 181 3PY 1.03779 1.32970 -0.33851 0.25076 0.84483 182 3PZ -0.08742 0.71577 -0.09664 -0.10283 0.44470 183 4XX 0.27977 0.18175 -0.15411 -0.02094 -0.06776 184 4YY -0.32572 -0.11069 0.08378 -0.01319 0.00359 185 4ZZ 0.10982 -0.22021 0.03099 0.08397 0.00166 186 4XY 0.03438 -0.07532 0.02671 0.01985 0.03605 187 4XZ 0.45261 0.13430 -0.01494 0.03209 0.10207 188 4YZ 0.21995 -0.21058 -0.12411 0.04884 -0.16328 189 17 H 1S 0.16791 -0.06697 0.00851 0.00361 0.00659 190 2S -0.17634 0.40709 0.11780 0.05477 0.24432 191 18 H 1S -0.06335 -0.10278 0.02286 0.02736 0.01909 192 2S 0.12315 -0.06370 -0.03187 -0.09714 -0.18552 193 19 H 1S -0.06333 0.10279 0.02286 -0.02735 -0.01909 194 2S 0.12315 0.06367 -0.03187 0.09714 0.18552 195 20 H 1S 0.16793 0.06693 0.00851 -0.00361 -0.00659 196 2S -0.17644 -0.40705 0.11779 -0.05477 -0.24431 197 21 C 1S -0.09095 0.00001 0.00976 0.00000 0.00000 198 2S -0.25821 0.00002 -0.12695 -0.00001 -0.00001 199 2PX 0.12986 -0.00002 -0.04453 0.00000 0.00000 200 2PY 0.00002 0.14840 0.00000 0.03016 0.02592 201 2PZ -0.23380 0.00003 0.09937 0.00000 0.00000 202 3S 2.91907 -0.00031 -0.25394 0.00002 0.00000 203 3PX 0.23407 -0.00002 -0.04602 -0.00001 0.00000 204 3PY 0.00002 0.14674 0.00001 0.20587 -0.05671 205 3PZ -1.39080 0.00015 0.18193 -0.00001 0.00001 206 4XX -0.55100 0.00007 0.04771 0.00000 0.00000 207 4YY 0.34722 -0.00004 -0.14211 0.00001 0.00000 208 4ZZ 0.11257 -0.00002 0.10906 0.00000 0.00000 209 4XY -0.00002 -0.15330 0.00000 0.08875 -0.13336 210 4XZ -0.53606 0.00006 0.31425 0.00000 0.00001 211 4YZ 0.00001 0.10460 0.00000 -0.09184 0.16475 212 22 H 1S -0.07974 0.00001 0.07844 0.00000 0.00000 213 2S 0.01939 0.00000 -0.05402 0.00000 -0.00001 214 23 H 1S 0.24428 -0.00003 -0.19384 0.00000 0.00000 215 2S 0.08081 -0.00001 0.02837 0.00000 0.00000 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 0.00160 -0.00990 -0.02416 -0.03329 -0.00451 2 2S 0.03908 0.00377 0.11288 -0.27465 -0.04682 3 2PX 0.02253 0.00589 0.11430 -0.00599 0.01300 4 2PY 0.02816 -0.09234 0.16031 0.03039 0.02158 5 2PZ -0.01044 0.01111 -0.09833 -0.01504 -0.01716 6 3S -0.23751 0.38455 0.13690 1.64475 0.13404 7 3PX -0.11871 0.05654 -0.04296 0.81759 0.09254 8 3PY -0.05668 -0.17509 0.02089 0.02160 -0.01421 9 3PZ 0.07052 -0.03352 0.02755 -0.59715 -0.02680 10 4XX 0.00236 -0.08022 -0.21874 -0.02560 0.02311 11 4YY 0.05756 0.15319 0.16881 -0.02869 0.00419 12 4ZZ -0.08258 -0.05536 -0.10655 0.05752 -0.01300 13 4XY 0.05218 -0.09820 0.18333 -0.04166 0.01981 14 4XZ 0.10631 -0.00969 0.05486 -0.30426 -0.02857 15 4YZ -0.04235 -0.05638 -0.15217 -0.05766 -0.00623 16 2 H 1S 0.07235 -0.02134 0.13371 -0.09178 -0.00457 17 2S -0.04964 0.03996 -0.11117 0.19953 0.01114 18 3 C 1S 0.00161 0.00990 -0.02416 0.03329 -0.00450 19 2S 0.03912 -0.00378 0.11291 0.27465 -0.04675 20 2PX 0.02253 -0.00591 0.11429 0.00599 0.01299 21 2PY -0.02814 -0.09232 -0.16031 0.03039 -0.02159 22 2PZ -0.01044 -0.01109 -0.09834 0.01504 -0.01715 23 3S -0.23772 -0.38458 0.13666 -1.64473 0.13328 24 3PX -0.11883 -0.05655 -0.04309 -0.81758 0.09226 25 3PY 0.05671 -0.17509 -0.02090 0.02162 0.01403 26 3PZ 0.07061 0.03352 0.02764 0.59714 -0.02658 27 4XX 0.00235 0.08025 -0.21875 0.02559 0.02312 28 4YY 0.05760 -0.15321 0.16882 0.02869 0.00416 29 4ZZ -0.08261 0.05537 -0.10656 -0.05752 -0.01298 30 4XY -0.05220 -0.09818 -0.18333 -0.04167 -0.01982 31 4XZ 0.10635 0.00969 0.05489 0.30426 -0.02849 32 4YZ 0.04231 -0.05640 0.15213 -0.05767 0.00625 33 4 H 1S 0.07236 0.02132 0.13371 0.09178 -0.00454 34 2S -0.04966 -0.03995 -0.11120 -0.19953 0.01106 35 5 C 1S -0.01443 0.00400 -0.00875 -0.03223 0.02268 36 2S -0.17157 -0.04783 -0.11824 -0.13174 0.20098 37 2PX 0.08223 -0.03159 -0.00292 0.01344 0.00102 38 2PY 0.01345 -0.00845 0.01072 0.11611 -0.04031 39 2PZ 0.09853 -0.01562 -0.02679 0.08876 0.00793 40 3S 0.22688 0.33267 -0.41409 1.04671 -0.87389 41 3PX 0.05061 -0.00467 0.05065 -0.48247 -0.31083 42 3PY 0.30512 -0.10480 0.29484 0.34093 -0.16210 43 3PZ 0.24938 -0.00781 -0.06712 0.48080 0.07494 44 4XX -0.17144 0.08893 -0.36771 -0.00205 -0.01768 45 4YY 0.29498 -0.01064 0.47840 0.13594 -0.05283 46 4ZZ -0.11890 -0.07059 -0.16033 -0.16739 0.06560 47 4XY -0.33839 0.02738 0.16790 -0.32073 -0.00749 48 4XZ -0.04323 0.09646 0.39019 -0.13767 0.08530 49 4YZ -0.51917 0.14249 0.16815 -0.27925 0.01113 50 6 C 1S -0.00025 -0.00572 -0.01338 -0.03638 -0.01570 51 2S 0.00325 -0.10913 0.16533 -0.25826 -0.09257 52 2PX -0.00320 -0.08475 -0.10524 0.03512 -0.00881 53 2PY -0.00641 -0.04209 -0.16073 0.10808 -0.04059 54 2PZ 0.01046 0.01071 0.08291 -0.00595 0.00574 55 3S -0.01474 0.34668 -0.09647 1.46548 0.61061 56 3PX 0.08550 0.28251 0.05202 0.20056 -0.20417 57 3PY -0.10470 0.21359 0.05487 0.46924 -0.13026 58 3PZ -0.08423 -0.20784 -0.08689 0.16130 0.19959 59 4XX -0.16230 0.13454 -0.09985 -0.20778 0.01019 60 4YY 0.05343 -0.04010 0.17614 0.23411 0.00411 61 4ZZ 0.09795 -0.08464 -0.20713 0.01917 -0.02240 62 4XY 0.03087 0.14115 0.18884 0.00702 0.05915 63 4XZ 0.00921 -0.07547 0.10785 -0.02262 -0.04117 64 4YZ -0.02609 0.11902 -0.12069 0.25064 -0.01669 65 7 H 1S -0.02827 -0.09323 0.14929 -0.19245 -0.00332 66 2S -0.05609 -0.05741 -0.08948 0.05111 0.02294 67 8 C 1S -0.00025 0.00572 -0.01338 0.03638 -0.01570 68 2S 0.00326 0.10910 0.16535 0.25827 -0.09259 69 2PX -0.00321 0.08477 -0.10523 -0.03512 -0.00880 70 2PY 0.00641 -0.04212 0.16074 0.10808 0.04060 71 2PZ 0.01047 -0.01073 0.08291 0.00595 0.00575 72 3S -0.01470 -0.34669 -0.09643 -1.46549 0.61098 73 3PX 0.08547 -0.28251 0.05188 -0.20055 -0.20438 74 3PY 0.10464 0.21360 -0.05485 0.46924 0.13017 75 3PZ -0.08424 0.20784 -0.08680 -0.16131 0.19979 76 4XX -0.16231 -0.13453 -0.09988 0.20778 0.01024 77 4YY 0.05343 0.04007 0.17615 -0.23411 0.00408 78 4ZZ 0.09795 0.08469 -0.20710 -0.01918 -0.02243 79 4XY -0.03084 0.14119 -0.18880 0.00701 -0.05915 80 4XZ 0.00918 0.07545 0.10784 0.02262 -0.04116 81 4YZ 0.02615 0.11900 0.12073 0.25064 0.01672 82 9 H 1S -0.02826 0.09321 0.14931 0.19245 -0.00327 83 2S -0.05609 0.05742 -0.08945 -0.05111 0.02298 84 10 C 1S -0.01442 -0.00400 -0.00874 0.03223 0.02269 85 2S -0.17155 0.04784 -0.11820 0.13174 0.20107 86 2PX 0.08223 0.03159 -0.00291 -0.01344 0.00101 87 2PY -0.01343 -0.00845 -0.01070 0.11611 0.04034 88 2PZ 0.09853 0.01564 -0.02679 -0.08876 0.00792 89 3S 0.22672 -0.33257 -0.41438 -1.04673 -0.87449 90 3PX 0.05069 0.00469 0.05067 0.48249 -0.31079 91 3PY -0.30500 -0.10477 -0.29474 0.34093 0.16246 92 3PZ 0.24932 0.00784 -0.06714 -0.48080 0.07484 93 4XX -0.17146 -0.08888 -0.36774 0.00203 -0.01766 94 4YY 0.29496 0.01058 0.47839 -0.13593 -0.05287 95 4ZZ -0.11885 0.07061 -0.16029 0.16739 0.06564 96 4XY 0.33841 0.02744 -0.16785 -0.32074 0.00742 97 4XZ -0.04321 -0.09652 0.39018 0.13766 0.08535 98 4YZ 0.51918 0.14257 -0.16812 -0.27925 -0.01118 99 11 O 1S -0.00385 0.00092 -0.00339 -0.00007 -0.00376 100 2S -0.17307 0.04118 -0.49662 -0.08556 0.01327 101 2PX -0.00141 -0.01042 -0.02643 -0.02187 -0.00213 102 2PY -0.08810 -0.00578 -0.28207 -0.02317 0.01927 103 2PZ -0.00480 0.00195 -0.01794 0.00675 0.00942 104 3S 0.38075 -0.19348 0.89543 0.12857 0.09863 105 3PX -0.16164 0.04971 0.07984 0.00346 0.06431 106 3PY 0.19044 -0.06051 0.41297 0.08390 0.01838 107 3PZ -0.24716 0.03352 0.09992 -0.21989 -0.01588 108 4XX -0.10319 -0.01386 -0.06178 -0.09560 0.01564 109 4YY 0.16415 -0.01695 0.01038 0.15445 -0.05507 110 4ZZ -0.13201 0.02869 -0.11448 -0.06219 0.01881 111 4XY -0.35471 0.07344 0.11529 -0.21698 0.03269 112 4XZ -0.08506 -0.00650 -0.08519 -0.05938 -0.00645 113 4YZ -0.51599 0.11090 0.16212 -0.32133 0.00429 114 12 O 1S -0.00385 -0.00092 -0.00339 0.00007 -0.00376 115 2S -0.17304 -0.04111 -0.49661 0.08556 0.01332 116 2PX -0.00140 0.01043 -0.02642 0.02187 -0.00213 117 2PY 0.08809 -0.00582 0.28206 -0.02317 -0.01928 118 2PZ -0.00480 -0.00195 -0.01794 -0.00675 0.00942 119 3S 0.38068 0.19335 0.89541 -0.12857 0.09849 120 3PX -0.16167 -0.04975 0.07981 -0.00346 0.06431 121 3PY -0.19042 -0.06045 -0.41297 0.08390 -0.01834 122 3PZ -0.24716 -0.03355 0.09992 0.21989 -0.01584 123 4XX -0.10316 0.01387 -0.06177 0.09559 0.01566 124 4YY 0.16413 0.01696 0.01038 -0.15444 -0.05511 125 4ZZ -0.13202 -0.02868 -0.11448 0.06219 0.01883 126 4XY 0.35474 0.07350 -0.11526 -0.21699 -0.03274 127 4XZ -0.08505 0.00651 -0.08520 0.05937 -0.00644 128 4YZ 0.51599 0.11098 -0.16209 -0.32134 -0.00435 129 13 C 1S -0.00450 -0.04157 0.00222 0.06172 0.03190 130 2S -0.00803 -0.20371 -0.05972 0.40545 0.06081 131 2PX -0.02990 0.23346 0.02748 -0.07130 -0.23736 132 2PY -0.00211 0.01693 -0.00959 -0.05150 -0.01882 133 2PZ 0.04131 -0.16462 -0.01886 -0.00895 0.20598 134 3S 0.22614 2.69033 -0.01910 -2.01061 -1.13408 135 3PX 0.02556 0.73127 -0.03215 -0.08257 -0.79645 136 3PY 0.29147 1.16257 -0.12613 -1.00246 -0.37832 137 3PZ 0.00871 -0.52135 -0.05289 0.05562 0.62086 138 4XX -0.05503 0.06678 0.03216 0.08797 -0.36441 139 4YY 0.02859 0.01681 0.02135 -0.19186 0.51187 140 4ZZ 0.01418 -0.08675 -0.02199 0.03023 -0.20544 141 4XY -0.04365 0.17036 0.05072 -0.00436 -0.28997 142 4XZ -0.03208 -0.32217 0.04167 0.20362 0.52819 143 4YZ 0.05858 -0.11097 -0.06329 -0.13089 0.23189 144 14 C 1S 0.00137 0.11504 0.00225 0.00685 -0.04852 145 2S -0.00607 0.41232 0.00539 -0.00060 0.01848 146 2PX 0.00526 0.08700 -0.00359 -0.07638 -0.31347 147 2PY 0.00650 -0.32167 -0.00375 -0.20761 -0.16464 148 2PZ 0.00396 -0.06304 0.00195 0.04233 0.21745 149 3S -0.07585 -5.45856 -0.00953 0.57877 1.37934 150 3PX 0.03944 1.70558 0.01839 -0.44635 -0.64859 151 3PY -0.04847 -1.93289 0.01020 -0.08728 -0.14136 152 3PZ -0.01885 -1.28409 -0.00862 0.48764 0.49637 153 4XX -0.00283 0.14675 -0.01073 0.19312 0.22654 154 4YY -0.00714 -0.63370 0.01864 -0.38629 -0.12974 155 4ZZ 0.03465 0.44608 -0.00934 0.13743 -0.03026 156 4XY 0.00881 0.02302 0.01559 0.12116 0.26709 157 4XZ -0.03306 0.53766 0.03028 -0.13329 -0.42869 158 4YZ -0.01126 -0.00585 -0.00625 0.03632 -0.18450 159 15 C 1S 0.00138 -0.11504 0.00223 -0.00685 -0.04853 160 2S -0.00606 -0.41233 0.00530 0.00060 0.01840 161 2PX 0.00528 -0.08699 -0.00360 0.07640 -0.31348 162 2PY -0.00645 -0.32166 0.00370 -0.20762 0.16467 163 2PZ 0.00395 0.06304 0.00196 -0.04234 0.21747 164 3S -0.07648 5.45857 -0.00853 -0.57881 1.38001 165 3PX 0.03962 -1.70559 0.01806 0.44637 -0.64887 166 3PY 0.04870 -1.93288 -0.01054 -0.08728 0.14122 167 3PZ -0.01899 1.28410 -0.00838 -0.48766 0.49658 168 4XX -0.00280 -0.14676 -0.01075 -0.19312 0.22659 169 4YY -0.00724 0.63369 0.01874 0.38629 -0.12979 170 4ZZ 0.03472 -0.44607 -0.00942 -0.13743 -0.03026 171 4XY -0.00881 0.02302 -0.01559 0.12117 -0.26711 172 4XZ -0.03301 -0.53766 0.03018 0.13330 -0.42875 173 4YZ 0.01127 -0.00585 0.00625 0.03631 0.18449 174 16 C 1S -0.00451 0.04157 0.00222 -0.06172 0.03192 175 2S -0.00809 0.20373 -0.05970 -0.40545 0.06087 176 2PX -0.02988 -0.23347 0.02744 0.07131 -0.23738 177 2PY 0.00213 0.01693 0.00960 -0.05151 0.01885 178 2PZ 0.04129 0.16463 -0.01883 0.00895 0.20598 179 3S 0.22647 -2.69035 -0.01960 2.01069 -1.13475 180 3PX 0.02566 -0.73126 -0.03228 0.08259 -0.79656 181 3PY -0.29165 1.16255 0.12634 -1.00248 0.37868 182 3PZ 0.00861 0.52136 -0.05281 -0.05563 0.62091 183 4XX -0.05502 -0.06678 0.03216 -0.08796 -0.36436 184 4YY 0.02859 -0.01682 0.02134 0.19183 0.51181 185 4ZZ 0.01418 0.08675 -0.02197 -0.03022 -0.20543 186 4XY 0.04363 0.17037 -0.05069 -0.00436 0.28997 187 4XZ -0.03212 0.32216 0.04173 -0.20365 0.52827 188 4YZ -0.05854 -0.11098 0.06328 -0.13088 -0.23185 189 17 H 1S 0.01709 -0.03937 -0.04010 0.06538 -0.17221 190 2S 0.12359 0.22701 -0.04053 -0.23790 -0.09047 191 18 H 1S -0.00955 0.13858 0.01637 0.02885 -0.00162 192 2S -0.00775 -0.65585 -0.01603 0.11228 0.15568 193 19 H 1S -0.00954 -0.13859 0.01635 -0.02886 -0.00162 194 2S -0.00782 0.65586 -0.01591 -0.11229 0.15575 195 20 H 1S 0.01709 0.03938 -0.04009 -0.06537 -0.17220 196 2S 0.12364 -0.22700 -0.04057 0.23790 -0.09057 197 21 C 1S 0.01378 0.00000 -0.00981 0.00000 0.04375 198 2S 0.07782 0.00001 -0.04436 0.00000 0.11160 199 2PX -0.02938 0.00000 0.01692 0.00000 -0.02825 200 2PY 0.00000 0.10792 0.00001 -0.24166 0.00004 201 2PZ 0.02381 0.00000 -0.00783 0.00000 0.07894 202 3S -0.51481 -0.00001 0.25434 -0.00002 -0.52924 203 3PX -0.05363 0.00001 0.03558 -0.00001 0.03924 204 3PY 0.00001 0.11963 0.00002 -0.69692 0.00010 205 3PZ 0.31190 0.00002 -0.18775 0.00001 0.24274 206 4XX 0.05908 0.00000 -0.05689 0.00000 0.08394 207 4YY -0.05768 -0.00001 0.08838 -0.00001 0.15157 208 4ZZ -0.01425 0.00000 -0.02521 0.00001 -0.21335 209 4XY 0.00002 -0.07954 0.00000 -0.20791 0.00003 210 4XZ 0.09625 0.00001 -0.05433 -0.00001 0.26808 211 4YZ -0.00002 0.01554 -0.00001 0.42497 -0.00007 212 22 H 1S 0.03911 0.00000 -0.02055 0.00000 0.09840 213 2S -0.06876 0.00000 0.05215 0.00000 -0.08551 214 23 H 1S -0.04559 -0.00001 0.03881 0.00000 -0.01617 215 2S -0.03274 -0.00001 0.03257 0.00000 -0.02081 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 -0.04287 -0.00927 0.00387 -0.09482 -0.02932 2 2S -0.12555 -0.03320 -0.25221 -0.45791 -0.00442 3 2PX 0.02302 0.01778 0.01978 0.01802 -0.04224 4 2PY -0.11364 0.04632 0.35038 -0.28526 -0.09255 5 2PZ -0.03306 -0.01406 -0.01196 -0.02314 0.04008 6 3S 2.31530 0.24161 0.55515 6.39729 -0.33803 7 3PX 0.73102 0.11916 0.82850 2.28439 0.28827 8 3PY -0.66887 0.00686 0.39661 -1.89115 1.79787 9 3PZ -0.58001 -0.08284 -0.58611 -1.66335 -0.41115 10 4XX -0.10976 -0.01659 0.32664 -0.11705 -0.11869 11 4YY 0.20759 0.02542 -0.55833 0.51249 0.15281 12 4ZZ -0.10681 -0.02884 0.18832 -0.33796 -0.10850 13 4XY -0.03121 0.03440 0.37736 0.07703 0.41387 14 4XZ -0.21164 -0.04064 -0.15093 -0.31754 -0.08886 15 4YZ 0.13271 -0.02233 -0.25414 -0.02165 -0.33395 16 2 H 1S -0.08878 0.00524 0.16914 0.02455 0.11629 17 2S 0.26191 0.03028 0.06935 0.71424 -0.18928 18 3 C 1S 0.04287 -0.00927 -0.00386 0.09482 0.02932 19 2S 0.12556 -0.03321 0.25220 0.45791 0.00442 20 2PX -0.02303 0.01777 -0.01978 -0.01803 0.04223 21 2PY -0.11364 -0.04632 0.35039 -0.28526 -0.09255 22 2PZ 0.03306 -0.01406 0.01196 0.02314 -0.04008 23 3S -2.31532 0.24163 -0.55513 -6.39727 0.33800 24 3PX -0.73106 0.11917 -0.82848 -2.28443 -0.28823 25 3PY -0.66885 -0.00684 0.39663 -1.89109 1.79788 26 3PZ 0.58001 -0.08284 0.58610 1.66334 0.41116 27 4XX 0.10975 -0.01659 -0.32661 0.11706 0.11871 28 4YY -0.20759 0.02543 0.55830 -0.51249 -0.15282 29 4ZZ 0.10682 -0.02885 -0.18831 0.33797 0.10850 30 4XY -0.03122 -0.03440 0.37740 0.07701 0.41386 31 4XZ 0.21165 -0.04064 0.15092 0.31754 0.08886 32 4YZ 0.13270 0.02233 -0.25415 -0.02166 -0.33396 33 4 H 1S 0.08878 0.00524 -0.16915 -0.02455 -0.11629 34 2S -0.26191 0.03029 -0.06935 -0.71424 0.18928 35 5 C 1S -0.02628 0.00974 -0.07489 -0.07996 0.05701 36 2S -0.24756 0.08602 -0.17172 -0.75273 0.58518 37 2PX 0.04317 -0.00218 -0.00082 -0.11531 -0.28832 38 2PY 0.04521 0.00281 0.26167 0.16497 -0.25890 39 2PZ 0.04158 -0.00187 0.01690 0.10335 0.16459 40 3S 1.45205 -0.44769 2.69076 3.64996 -2.51488 41 3PX -0.12019 0.01467 0.43124 -0.56956 -2.83678 42 3PY 0.96180 -0.16026 1.22250 3.00433 -1.99214 43 3PZ 0.31176 -0.09745 -0.08352 0.75613 1.53874 44 4XX -0.08624 -0.04201 0.00953 -0.06787 -0.08091 45 4YY 0.13372 0.01521 0.04899 0.17039 -0.00436 46 4ZZ -0.04636 0.00849 -0.13990 -0.15811 0.11787 47 4XY -0.26386 0.03289 0.12379 0.02805 -0.21316 48 4XZ -0.12762 0.08445 -0.21423 -0.15114 0.07562 49 4YZ -0.18937 0.03355 0.13098 0.18078 0.08975 50 6 C 1S 0.01441 -0.00486 0.02077 0.05520 -0.11595 51 2S 0.02730 0.00991 0.65140 0.72312 -1.04750 52 2PX -0.04443 -0.02378 0.00926 0.09813 -0.05265 53 2PY 0.00949 -0.01082 0.23161 -0.08844 0.18931 54 2PZ -0.00881 0.02139 0.02359 0.02981 -0.07545 55 3S -1.12992 0.16300 -2.31748 -4.98347 7.01246 56 3PX 0.52421 -0.03867 1.04506 0.72704 -2.33633 57 3PY -0.43560 -0.05071 0.33579 -2.26007 0.48651 58 3PZ -0.54460 0.01124 -1.23979 -1.13057 2.39508 59 4XX -0.14272 0.01349 -0.37941 0.02291 0.05622 60 4YY 0.06872 0.00684 0.47552 -0.22770 0.43945 61 4ZZ 0.13166 -0.03246 -0.21769 -0.01455 -0.28086 62 4XY 0.01431 0.01588 -0.17291 0.31488 0.37174 63 4XZ -0.12207 -0.02429 0.22820 0.18792 -0.31442 64 4YZ 0.06487 -0.01135 0.02078 -0.39905 -0.15382 65 7 H 1S -0.17236 -0.00007 0.03246 0.27452 0.05895 66 2S -0.12067 -0.03859 -0.17902 -0.47035 0.46885 67 8 C 1S -0.01441 -0.00486 -0.02077 -0.05520 0.11595 68 2S -0.02726 0.00991 -0.65140 -0.72311 1.04749 69 2PX 0.04444 -0.02377 -0.00925 -0.09813 0.05265 70 2PY 0.00947 0.01082 0.23160 -0.08844 0.18931 71 2PZ 0.00881 0.02139 -0.02359 -0.02981 0.07544 72 3S 1.12973 0.16302 2.31743 4.98346 -7.01246 73 3PX -0.52417 -0.03867 -1.04504 -0.72707 2.33633 74 3PY -0.43563 0.05067 0.33581 -2.26006 0.48645 75 3PZ 0.54455 0.01126 1.23979 1.13058 -2.39509 76 4XX 0.14272 0.01349 0.37940 -0.02290 -0.05619 77 4YY -0.06873 0.00684 -0.47552 0.22768 -0.43946 78 4ZZ -0.13165 -0.03247 0.21770 0.01456 0.28085 79 4XY 0.01432 -0.01587 -0.17291 0.31489 0.37173 80 4XZ 0.12208 -0.02429 -0.22820 -0.18794 0.31441 81 4YZ 0.06485 0.01135 0.02079 -0.39905 -0.15382 82 9 H 1S 0.17237 -0.00006 -0.03246 -0.27453 -0.05894 83 2S 0.12067 -0.03858 0.17903 0.47036 -0.46886 84 10 C 1S 0.02627 0.00974 0.07489 0.07996 -0.05701 85 2S 0.24751 0.08602 0.17172 0.75273 -0.58517 86 2PX -0.04317 -0.00218 0.00082 0.11532 0.28832 87 2PY 0.04520 -0.00281 0.26167 0.16496 -0.25890 88 2PZ -0.04158 -0.00187 -0.01690 -0.10335 -0.16459 89 3S -1.45180 -0.44767 -2.69069 -3.64996 2.51490 90 3PX 0.12032 0.01469 -0.43116 0.56966 2.83669 91 3PY 0.96178 0.16027 1.22255 3.00435 -1.99227 92 3PZ -0.31180 -0.09746 0.08350 -0.75614 -1.53875 93 4XX 0.08624 -0.04201 -0.00950 0.06787 0.08089 94 4YY -0.13370 0.01521 -0.04902 -0.17040 0.00438 95 4ZZ 0.04634 0.00849 0.13990 0.15811 -0.11786 96 4XY -0.26387 -0.03289 0.12379 0.02805 -0.21316 97 4XZ 0.12758 0.08444 0.21420 0.15114 -0.07562 98 4YZ -0.18937 -0.03356 0.13097 0.18077 0.08976 99 11 O 1S -0.00146 0.00043 0.00432 0.01343 -0.00854 100 2S -0.11839 -0.03132 -0.24819 -0.47163 0.36362 101 2PX -0.01143 -0.00524 0.00232 -0.02928 -0.07337 102 2PY -0.02875 -0.01585 -0.04244 -0.09050 0.01487 103 2PZ 0.00603 -0.00854 -0.00031 0.02262 0.04332 104 3S 0.39017 0.04209 0.52984 1.36794 -1.12674 105 3PX -0.04229 0.01609 -0.00025 0.23200 0.49648 106 3PY 0.11139 0.03159 0.16800 0.38989 -0.43066 107 3PZ -0.14428 0.05204 0.06763 -0.08245 -0.36568 108 4XX -0.05019 0.00523 0.00653 -0.02819 0.10733 109 4YY 0.11322 -0.00665 0.08299 0.22723 -0.32709 110 4ZZ -0.07496 -0.00283 -0.04445 -0.05055 0.05434 111 4XY -0.20447 0.02117 0.09638 0.15966 0.14706 112 4XZ -0.01467 -0.00200 -0.01786 0.05336 -0.02031 113 4YZ -0.21215 0.05428 0.09340 0.02155 -0.17002 114 12 O 1S 0.00146 0.00043 -0.00432 -0.01343 0.00854 115 2S 0.11839 -0.03132 0.24822 0.47164 -0.36363 116 2PX 0.01143 -0.00524 -0.00232 0.02928 0.07337 117 2PY -0.02875 0.01585 -0.04245 -0.09051 0.01488 118 2PZ -0.00604 -0.00854 0.00031 -0.02262 -0.04332 119 3S -0.39023 0.04208 -0.52992 -1.36796 1.12676 120 3PX 0.04227 0.01609 0.00024 -0.23199 -0.49648 121 3PY 0.11140 -0.03158 0.16803 0.38990 -0.43065 122 3PZ 0.14429 0.05204 -0.06762 0.08245 0.36568 123 4XX 0.05018 0.00522 -0.00652 0.02819 -0.10732 124 4YY -0.11320 -0.00664 -0.08299 -0.22723 0.32708 125 4ZZ 0.07496 -0.00283 0.04446 0.05055 -0.05433 126 4XY -0.20446 -0.02117 0.09639 0.15966 0.14708 127 4XZ 0.01467 -0.00200 0.01787 -0.05336 0.02030 128 4YZ -0.21216 -0.05429 0.09340 0.02155 -0.17003 129 13 C 1S -0.07859 0.01440 -0.04716 -0.01079 0.04271 130 2S -0.32601 -0.00957 -0.50538 -0.22195 0.36113 131 2PX 0.11742 -0.10116 0.07086 -0.04981 -0.01171 132 2PY 0.09626 0.01313 -0.02166 -0.06305 0.06920 133 2PZ 0.00938 0.10247 -0.00978 0.01006 0.07496 134 3S 2.78764 -0.42098 2.34280 0.41847 -1.98876 135 3PX 0.38400 -0.37855 0.23159 -0.08658 -0.24468 136 3PY 1.49256 -0.02397 1.09666 0.41749 -1.13910 137 3PZ -0.16745 0.33675 -0.42954 -0.17054 0.42967 138 4XX -0.19187 -0.01211 0.02051 0.05487 -0.10066 139 4YY 0.23542 -0.32486 0.08420 -0.01782 0.03133 140 4ZZ -0.01685 0.35477 -0.00724 -0.01043 0.06076 141 4XY -0.00194 -0.43378 -0.00930 -0.07472 0.01192 142 4XZ -0.33551 -0.05445 -0.11798 0.09362 -0.01433 143 4YZ 0.20576 0.38720 0.02343 -0.04627 0.07267 144 14 C 1S 0.02264 -0.02361 0.03194 -0.00643 -0.02233 145 2S 0.27897 0.02058 0.20441 -0.06514 -0.23107 146 2PX 0.06996 -0.04454 0.04616 -0.00488 -0.03003 147 2PY 0.14631 0.06373 -0.04478 -0.03584 0.02090 148 2PZ -0.05377 0.06333 -0.02899 0.00711 0.02052 149 3S -2.36574 0.65804 -2.46782 -0.08482 2.34364 150 3PX 1.09091 -0.25691 0.95089 0.01532 -0.89132 151 3PY -0.41946 -0.18705 -0.63328 -0.04358 0.72029 152 3PZ -0.83045 0.19452 -0.61822 -0.00353 0.59659 153 4XX -0.26872 0.12304 -0.04960 0.05287 0.02637 154 4YY 0.29442 -0.22239 -0.06925 -0.05604 0.05167 155 4ZZ -0.01554 0.11138 0.09913 0.00283 -0.01235 156 4XY -0.12951 -0.13505 -0.05083 -0.00410 -0.01015 157 4XZ 0.23964 -0.33711 0.10203 -0.07609 -0.07715 158 4YZ -0.02074 0.06484 0.01379 -0.01950 -0.00958 159 15 C 1S -0.02263 -0.02361 -0.03194 0.00643 0.02232 160 2S -0.27897 0.02058 -0.20441 0.06514 0.23105 161 2PX -0.06989 -0.04455 -0.04615 0.00488 0.03003 162 2PY 0.14627 -0.06372 -0.04478 -0.03585 0.02090 163 2PZ 0.05371 0.06334 0.02898 -0.00711 -0.02052 164 3S 2.36539 0.65815 2.46778 0.08481 -2.34362 165 3PX -1.09075 -0.25696 -0.95087 -0.01531 0.89130 166 3PY -0.41950 0.18704 -0.63329 -0.04357 0.72029 167 3PZ 0.83033 0.19457 0.61821 0.00352 -0.59659 168 4XX 0.26866 0.12305 0.04959 -0.05287 -0.02637 169 4YY -0.29438 -0.22240 0.06925 0.05603 -0.05167 170 4ZZ 0.01554 0.11138 -0.09913 -0.00283 0.01235 171 4XY -0.12945 0.13503 -0.05082 -0.00410 -0.01016 172 4XZ -0.23952 -0.33712 -0.10201 0.07609 0.07714 173 4YZ -0.02078 -0.06483 0.01378 -0.01950 -0.00957 174 16 C 1S 0.07858 0.01440 0.04716 0.01079 -0.04271 175 2S 0.32600 -0.00955 0.50539 0.22195 -0.36113 176 2PX -0.11736 -0.10117 -0.07085 0.04982 0.01170 177 2PY 0.09626 -0.01313 -0.02166 -0.06304 0.06920 178 2PZ -0.00944 0.10248 0.00978 -0.01007 -0.07495 179 3S -2.78738 -0.42113 -2.34280 -0.41847 1.98877 180 3PX -0.38379 -0.37856 -0.23155 0.08658 0.24466 181 3PY 1.49248 0.02404 1.09666 0.41748 -1.13912 182 3PZ 0.16729 0.33676 0.42953 0.17054 -0.42966 183 4XX 0.19196 -0.01211 -0.02050 -0.05486 0.10065 184 4YY -0.23554 -0.32487 -0.08422 0.01781 -0.03132 185 4ZZ 0.01688 0.35477 0.00724 0.01043 -0.06076 186 4XY -0.00203 0.43378 -0.00931 -0.07471 0.01193 187 4XZ 0.33539 -0.05443 0.11796 -0.09363 0.01434 188 4YZ 0.20583 -0.38718 0.02344 -0.04627 0.07267 189 17 H 1S -0.06521 0.31013 -0.02828 0.03061 -0.03788 190 2S 0.45077 -0.17159 0.26443 0.16759 -0.28065 191 18 H 1S 0.00306 -0.19317 -0.00462 -0.02283 0.00085 192 2S -0.27105 0.09525 -0.24785 0.00177 0.28304 193 19 H 1S -0.00305 -0.19316 0.00462 0.02283 -0.00085 194 2S 0.27101 0.09526 0.24784 -0.00177 -0.28304 195 20 H 1S 0.06524 0.31013 0.02829 -0.03061 0.03787 196 2S -0.45075 -0.17161 -0.26443 -0.16759 0.28066 197 21 C 1S -0.00001 0.03242 0.00000 0.00000 0.00000 198 2S -0.00002 -0.09915 -0.00001 -0.00001 0.00001 199 2PX 0.00001 -0.02397 0.00000 0.00000 0.00000 200 2PY 0.33625 0.00001 0.16601 0.01478 -0.07792 201 2PZ -0.00001 0.12064 0.00000 0.00000 0.00000 202 3S 0.00010 -0.44716 0.00004 0.00001 -0.00004 203 3PX 0.00000 -0.09207 0.00000 -0.00001 0.00000 204 3PY 0.91936 0.00003 0.37736 0.00653 -0.15434 205 3PZ -0.00004 0.00699 -0.00002 -0.00001 0.00002 206 4XX -0.00002 0.43684 0.00000 0.00000 0.00000 207 4YY -0.00001 -0.63244 0.00000 -0.00001 0.00000 208 4ZZ 0.00002 0.25583 0.00000 0.00000 0.00000 209 4XY 0.28435 0.00000 0.03340 -0.04172 -0.00413 210 4XZ -0.00003 -0.24563 -0.00001 0.00000 0.00000 211 4YZ -0.64186 -0.00002 -0.18009 0.05773 -0.05715 212 22 H 1S -0.00001 -0.26765 0.00000 -0.00001 0.00000 213 2S 0.00001 0.08848 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00816 0.00000 0.00000 0.00000 215 2S 0.00000 0.07802 0.00000 0.00000 -0.00001 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 -0.00608 0.01093 -0.00847 0.00555 0.04850 2 2S -0.06080 0.09063 0.16180 -0.03763 0.31907 3 2PX -0.00568 -0.00221 0.11398 -0.05891 0.00561 4 2PY 0.00158 -0.00806 -0.02148 -0.00744 0.01888 5 2PZ -0.00063 0.00508 -0.08080 0.04456 0.01560 6 3S 0.09289 -0.85340 -0.05854 0.08471 -3.43992 7 3PX 0.16867 -0.35042 0.03384 -0.04599 -1.32991 8 3PY 0.21108 0.31758 0.15722 0.10771 1.38910 9 3PZ -0.08370 0.25623 -0.02452 0.02494 0.89254 10 4XX 0.02448 -0.01506 0.17261 -0.03622 -0.00504 11 4YY -0.00466 -0.00736 -0.18499 0.02444 -0.10960 12 4ZZ -0.01061 0.00880 0.07160 -0.00766 0.09934 13 4XY 0.02840 -0.02064 0.11460 -0.04215 -0.01568 14 4XZ -0.04261 0.05499 -0.18264 0.05972 0.16230 15 4YZ -0.03221 0.01065 -0.07493 0.03364 -0.01753 16 2 H 1S -0.00536 -0.01438 -0.02178 -0.01829 -0.03091 17 2S 0.00954 -0.12824 0.04404 -0.03414 -0.50481 18 3 C 1S 0.00608 -0.01093 -0.00847 0.00555 -0.04850 19 2S 0.06080 -0.09063 0.16181 -0.03763 -0.31907 20 2PX 0.00568 0.00221 0.11398 -0.05891 -0.00561 21 2PY 0.00158 -0.00806 0.02147 0.00745 0.01888 22 2PZ 0.00063 -0.00508 -0.08080 0.04456 -0.01560 23 3S -0.09287 0.85339 -0.05861 0.08482 3.43989 24 3PX -0.16867 0.35043 0.03380 -0.04596 1.32994 25 3PY 0.21108 0.31757 -0.15724 -0.10766 1.38907 26 3PZ 0.08370 -0.25622 -0.02450 0.02491 -0.89253 27 4XX -0.02448 0.01506 0.17261 -0.03622 0.00504 28 4YY 0.00466 0.00736 -0.18499 0.02445 0.10960 29 4ZZ 0.01061 -0.00880 0.07161 -0.00766 -0.09934 30 4XY 0.02840 -0.02064 -0.11460 0.04215 -0.01568 31 4XZ 0.04261 -0.05499 -0.18264 0.05972 -0.16230 32 4YZ -0.03221 0.01065 0.07493 -0.03364 -0.01752 33 4 H 1S 0.00536 0.01438 -0.02178 -0.01829 0.03091 34 2S -0.00954 0.12824 0.04404 -0.03412 0.50481 35 5 C 1S -0.00341 0.01327 -0.00921 -0.00487 0.05002 36 2S -0.14763 -0.05537 -0.34965 -0.76269 -0.49318 37 2PX -0.04448 0.00426 0.12099 0.03666 0.04915 38 2PY 0.06223 0.07700 0.39908 0.78622 0.72863 39 2PZ 0.02147 -0.00353 -0.02074 0.08817 0.08255 40 3S 0.05516 -0.87930 -0.57602 -1.29960 -4.91116 41 3PX -0.16924 -0.08052 -0.11253 0.09044 -0.74336 42 3PY -0.22622 -0.38664 0.43764 0.75377 -1.04009 43 3PZ 0.17803 0.01894 0.08561 0.01591 0.25243 44 4XX 0.02357 0.03128 0.19898 0.22018 0.19136 45 4YY -0.00172 -0.06244 -0.30996 -0.52255 -0.54882 46 4ZZ 0.01846 0.05864 0.07119 0.31358 0.39251 47 4XY -0.05393 0.01436 0.59994 -0.39044 -0.15603 48 4XZ -0.01150 0.04146 0.00683 0.03621 0.21677 49 4YZ 0.00989 -0.03464 -0.46762 0.16707 -0.07170 50 6 C 1S -0.01730 -0.01019 0.01643 -0.01465 -0.07944 51 2S -0.16939 -0.16849 -0.16347 0.23712 -0.58335 52 2PX 0.01272 -0.00056 0.12288 -0.05533 -0.04679 53 2PY 0.02207 0.00502 -0.00487 0.00147 0.03356 54 2PZ -0.01687 -0.00724 -0.08546 0.05340 -0.02843 55 3S 1.11025 0.88442 0.05111 -0.06354 4.65641 56 3PX -0.26393 -0.25117 0.09358 -0.10252 -1.66787 57 3PY 0.50325 0.07797 0.01172 -0.13874 0.89493 58 3PZ 0.36538 0.29798 -0.06517 -0.01348 1.52890 59 4XX -0.01174 0.04836 -0.14254 0.07215 0.05101 60 4YY 0.07440 -0.00536 0.14384 -0.15230 0.19571 61 4ZZ -0.02582 0.00231 -0.00379 -0.01380 -0.18706 62 4XY 0.04940 0.00841 -0.10840 0.08392 0.10072 63 4XZ 0.00249 -0.01268 0.16633 -0.13731 -0.23770 64 4YZ -0.00307 -0.00407 0.08550 -0.04942 -0.05191 65 7 H 1S 0.03807 0.00727 -0.01428 0.00005 0.03273 66 2S 0.14202 0.01596 -0.04997 0.05387 0.45108 67 8 C 1S 0.01730 0.01019 0.01643 -0.01465 0.07944 68 2S 0.16939 0.16848 -0.16347 0.23715 0.58333 69 2PX -0.01272 0.00056 0.12288 -0.05533 0.04679 70 2PY 0.02207 0.00502 0.00487 -0.00147 0.03356 71 2PZ 0.01687 0.00724 -0.08546 0.05340 0.02842 72 3S -1.11026 -0.88442 0.05111 -0.06368 -4.65641 73 3PX 0.26394 0.25117 0.09358 -0.10247 1.66788 74 3PY 0.50324 0.07796 -0.01172 0.13878 0.89490 75 3PZ -0.36539 -0.29797 -0.06517 -0.01353 -1.52891 76 4XX 0.01175 -0.04836 -0.14253 0.07214 -0.05100 77 4YY -0.07440 0.00537 0.14383 -0.15230 -0.19570 78 4ZZ 0.02581 -0.00231 -0.00380 -0.01379 0.18706 79 4XY 0.04940 0.00841 0.10841 -0.08393 0.10072 80 4XZ -0.00249 0.01268 0.16633 -0.13731 0.23770 81 4YZ -0.00307 -0.00407 -0.08551 0.04942 -0.05191 82 9 H 1S -0.03807 -0.00727 -0.01428 0.00005 -0.03272 83 2S -0.14202 -0.01596 -0.04997 0.05386 -0.45109 84 10 C 1S 0.00341 -0.01327 -0.00921 -0.00487 -0.05003 85 2S 0.14763 0.05540 -0.34966 -0.76270 0.49316 86 2PX 0.04448 -0.00426 0.12099 0.03664 -0.04913 87 2PY 0.06223 0.07702 -0.39909 -0.78622 0.72862 88 2PZ -0.02147 0.00353 -0.02075 0.08817 -0.08255 89 3S -0.05517 0.87932 -0.57609 -1.29952 4.91118 90 3PX 0.16925 0.08050 -0.11253 0.09043 0.74331 91 3PY -0.22623 -0.38664 -0.43763 -0.75383 -1.04015 92 3PZ -0.17804 -0.01894 0.08560 0.01590 -0.25242 93 4XX -0.02357 -0.03129 0.19895 0.22020 -0.19137 94 4YY 0.00172 0.06245 -0.30993 -0.52256 0.54883 95 4ZZ -0.01846 -0.05864 0.07119 0.31358 -0.39251 96 4XY -0.05392 0.01435 -0.59996 0.39041 -0.15601 97 4XZ 0.01150 -0.04147 0.00685 0.03620 -0.21677 98 4YZ 0.00988 -0.03463 0.46763 -0.16707 -0.07168 99 11 O 1S -0.00267 -0.00542 -0.00322 -0.00869 -0.01459 100 2S -0.00327 -0.02053 -0.27723 -0.53218 -0.52764 101 2PX -0.00805 0.00155 0.02239 0.00776 -0.00406 102 2PY 0.00289 0.02402 0.09268 0.19834 0.18526 103 2PZ 0.00700 -0.00172 -0.00454 0.02388 0.01508 104 3S -0.06407 0.10064 1.00754 1.98523 1.83173 105 3PX 0.03065 0.02259 0.29551 0.00927 0.24485 106 3PY 0.04092 0.11966 0.57828 1.17729 1.29047 107 3PZ -0.04736 0.00394 -0.11078 0.15650 0.04675 108 4XX -0.04287 -0.05677 -0.09425 -0.35898 -0.34949 109 4YY 0.07765 0.10498 0.45430 0.98403 0.97756 110 4ZZ -0.04690 -0.05913 -0.19490 -0.30753 -0.35905 111 4XY 0.00271 0.03004 0.49951 -0.05826 0.17022 112 4XZ -0.01308 0.00321 0.01660 0.01490 -0.00664 113 4YZ -0.01214 0.00133 -0.23827 0.25809 0.10023 114 12 O 1S 0.00267 0.00542 -0.00322 -0.00869 0.01459 115 2S 0.00327 0.02054 -0.27724 -0.53218 0.52763 116 2PX 0.00805 -0.00154 0.02239 0.00775 0.00406 117 2PY 0.00289 0.02403 -0.09268 -0.19834 0.18526 118 2PZ -0.00700 0.00172 -0.00454 0.02388 -0.01508 119 3S 0.06408 -0.10067 1.00758 1.98525 -1.83171 120 3PX -0.03065 -0.02258 0.29549 0.00924 -0.24481 121 3PY 0.04091 0.11968 -0.57831 -1.17729 1.29047 122 3PZ 0.04736 -0.00394 -0.11077 0.15650 -0.04675 123 4XX 0.04287 0.05678 -0.09427 -0.35898 0.34950 124 4YY -0.07765 -0.10501 0.45433 0.98402 -0.97756 125 4ZZ 0.04690 0.05914 -0.19490 -0.30752 0.35906 126 4XY 0.00272 0.03003 -0.49949 0.05830 0.17017 127 4XZ 0.01308 -0.00322 0.01661 0.01490 0.00664 128 4YZ -0.01214 0.00134 0.23827 -0.25809 0.10023 129 13 C 1S 0.00617 0.00083 -0.00196 -0.00149 0.02406 130 2S 0.25583 0.25139 0.01423 -0.12697 0.04538 131 2PX 0.24762 0.05315 0.00563 0.01206 -0.00705 132 2PY 0.01968 0.02913 0.01388 -0.01339 0.02462 133 2PZ -0.24774 -0.05059 -0.00120 0.01614 0.07080 134 3S -0.11845 -0.53938 -0.01296 0.22777 -1.03721 135 3PX 0.75774 -0.11509 -0.09637 -0.12090 -0.33030 136 3PY -0.58499 -0.28923 -0.07598 0.13782 -0.66237 137 3PZ -0.79544 0.22018 0.05182 0.01224 0.27511 138 4XX 0.32469 0.18189 -0.00258 0.02235 -0.07090 139 4YY -0.33279 -0.35667 0.00946 0.02870 0.10432 140 4ZZ 0.01795 0.10764 -0.02467 0.00606 0.02449 141 4XY 0.33388 -0.28844 -0.00277 -0.01283 0.03557 142 4XZ -0.25635 -0.19513 0.00317 0.02009 0.03771 143 4YZ -0.43960 0.26598 0.01413 0.00774 0.02523 144 14 C 1S -0.00096 -0.00148 -0.00228 0.00120 -0.01317 145 2S -0.02268 -0.16262 0.04260 -0.04504 -0.19253 146 2PX 0.20146 -0.02355 -0.01373 0.00240 -0.01392 147 2PY 0.39184 -0.09145 0.00167 -0.00766 0.00935 148 2PZ -0.14936 0.01577 0.00199 0.00203 0.01282 149 3S 0.42207 0.60181 0.06031 0.02996 1.55274 150 3PX 0.53019 -0.31193 -0.01305 0.00169 -0.62292 151 3PY 1.22595 0.10702 -0.01159 -0.02085 0.42962 152 3PZ -0.32413 0.16970 0.03100 0.00459 0.43940 153 4XX -0.43168 0.16335 -0.00725 0.01156 0.03708 154 4YY 0.68329 -0.28320 -0.01384 0.01234 0.05182 155 4ZZ -0.22007 0.11772 -0.00733 0.01192 -0.00202 156 4XY -0.26937 -0.63438 -0.00096 0.01213 0.08508 157 4XZ 0.35856 -0.16550 -0.01120 -0.00424 -0.05033 158 4YZ 0.24757 0.51316 0.00230 -0.01264 -0.08084 159 15 C 1S 0.00096 0.00148 -0.00228 0.00120 0.01317 160 2S 0.02268 0.16262 0.04260 -0.04503 0.19252 161 2PX -0.20146 0.02355 -0.01374 0.00241 0.01392 162 2PY 0.39184 -0.09145 -0.00167 0.00766 0.00935 163 2PZ 0.14936 -0.01577 0.00199 0.00203 -0.01282 164 3S -0.42206 -0.60182 0.06031 0.02988 -1.55273 165 3PX -0.53019 0.31193 -0.01306 0.00173 0.62291 166 3PY 1.22595 0.10701 0.01160 0.02086 0.42961 167 3PZ 0.32413 -0.16970 0.03100 0.00457 -0.43939 168 4XX 0.43168 -0.16335 -0.00724 0.01155 -0.03708 169 4YY -0.68329 0.28321 -0.01385 0.01235 -0.05182 170 4ZZ 0.22008 -0.11772 -0.00733 0.01192 0.00202 171 4XY -0.26937 -0.63439 0.00096 -0.01214 0.08508 172 4XZ -0.35856 0.16551 -0.01120 -0.00423 0.05032 173 4YZ 0.24757 0.51317 -0.00229 0.01265 -0.08084 174 16 C 1S -0.00617 -0.00083 -0.00196 -0.00149 -0.02405 175 2S -0.25584 -0.25139 0.01423 -0.12699 -0.04538 176 2PX -0.24762 -0.05315 0.00562 0.01206 0.00705 177 2PY 0.01968 0.02913 -0.01388 0.01340 0.02461 178 2PZ 0.24774 0.05059 -0.00120 0.01614 -0.07080 179 3S 0.11847 0.53939 -0.01296 0.22784 1.03721 180 3PX -0.75775 0.11509 -0.09638 -0.12088 0.33030 181 3PY -0.58500 -0.28923 0.07597 -0.13786 -0.66236 182 3PZ 0.79545 -0.22019 0.05183 0.01221 -0.27511 183 4XX -0.32469 -0.18189 -0.00258 0.02235 0.07090 184 4YY 0.33279 0.35668 0.00946 0.02870 -0.10431 185 4ZZ -0.01796 -0.10765 -0.02467 0.00606 -0.02449 186 4XY 0.33388 -0.28844 0.00278 0.01282 0.03558 187 4XZ 0.25635 0.19514 0.00318 0.02009 -0.03771 188 4YZ -0.43960 0.26598 -0.01414 -0.00773 0.02523 189 17 H 1S 0.00210 0.23250 -0.01784 -0.02452 -0.09871 190 2S -0.08642 -0.19747 -0.03592 0.06579 -0.13717 191 18 H 1S -0.04323 -0.37830 -0.00429 0.00300 0.05063 192 2S 0.06813 0.24525 0.00915 -0.00883 0.17277 193 19 H 1S 0.04323 0.37830 -0.00429 0.00301 -0.05064 194 2S -0.06813 -0.24525 0.00915 -0.00885 -0.17277 195 20 H 1S -0.00210 -0.23251 -0.01784 -0.02453 0.09871 196 2S 0.08643 0.19747 -0.03591 0.06581 0.13717 197 21 C 1S 0.00000 0.00000 -0.00015 0.00803 0.00000 198 2S 0.00000 0.00001 0.05708 0.05514 0.00001 199 2PX 0.00000 0.00000 -0.00897 -0.00610 0.00000 200 2PY -0.28536 0.09009 0.00000 0.00000 -0.04113 201 2PZ 0.00000 0.00000 0.00049 0.02631 0.00000 202 3S -0.00001 0.00000 -0.09001 -0.44299 -0.00001 203 3PX 0.00000 0.00000 0.08797 -0.00003 0.00001 204 3PY -1.00878 0.08432 -0.00001 0.00000 0.00547 205 3PZ 0.00001 0.00000 -0.00660 0.09149 0.00001 206 4XX 0.00000 -0.00001 -0.00041 0.01119 0.00000 207 4YY 0.00000 0.00001 -0.03009 0.01065 0.00000 208 4ZZ 0.00000 0.00000 -0.00791 -0.02205 0.00000 209 4XY -0.23674 -0.06539 0.00000 0.00000 -0.01938 210 4XZ 0.00000 0.00000 -0.00359 -0.00384 0.00000 211 4YZ 0.56268 -0.17563 0.00000 0.00000 -0.03851 212 22 H 1S 0.00000 0.00000 -0.00410 0.00039 0.00000 213 2S 0.00000 0.00000 0.08139 0.06498 0.00000 214 23 H 1S 0.00000 0.00000 0.00182 0.02607 0.00000 215 2S 0.00000 0.00000 -0.01430 0.01947 0.00000 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 -0.00423 0.06234 -0.16559 0.05055 -0.24532 2 2S 0.02551 -0.06270 0.78652 -0.08278 1.65397 3 2PX 0.10230 -0.00890 0.02277 0.01139 0.00620 4 2PY 0.33755 0.17187 0.13952 -0.05706 -0.07743 5 2PZ -0.07742 0.02041 -0.01152 0.00639 -0.02837 6 3S -0.85499 -2.68363 2.23057 -0.20890 0.55954 7 3PX 0.22366 -0.85827 0.66291 -0.40439 -0.10949 8 3PY 0.90232 0.89085 -0.85305 0.44987 0.17012 9 3PZ -0.17368 0.58418 -0.48271 0.25779 0.09878 10 4XX 0.26910 0.29451 -0.51963 0.10523 -0.94887 11 4YY -0.54265 -0.41442 -0.68750 0.10787 -0.92290 12 4ZZ 0.15616 0.26532 -0.56481 0.16253 -0.94123 13 4XY 0.19911 -0.45351 0.03734 -0.00848 0.03382 14 4XZ -0.22526 0.00751 -0.09955 0.09192 0.00515 15 4YZ -0.13063 0.36202 -0.03804 0.01095 -0.03228 16 2 H 1S 0.01272 -0.25452 0.09243 -0.04830 0.10410 17 2S -0.02707 -0.13756 0.15134 -0.24688 -0.30680 18 3 C 1S 0.00423 -0.06234 0.16563 0.05040 -0.24532 19 2S -0.02551 0.06270 -0.78657 -0.08206 1.65397 20 2PX -0.10229 0.00891 -0.02276 0.01141 0.00620 21 2PY 0.33756 0.17187 0.13958 0.05693 0.07743 22 2PZ 0.07742 -0.02041 0.01152 0.00638 -0.02837 23 3S 0.85498 2.68362 -2.23074 -0.20681 0.55959 24 3PX -0.22364 0.85829 -0.66329 -0.40378 -0.10948 25 3PY 0.90233 0.89083 -0.85343 -0.44907 -0.17009 26 3PZ 0.17368 -0.58418 0.48294 0.25734 0.09877 27 4XX -0.26909 -0.29452 0.51971 0.10475 -0.94887 28 4YY 0.54264 0.41443 0.68758 0.10724 -0.92290 29 4ZZ -0.15617 -0.26532 0.56495 0.16201 -0.94124 30 4XY 0.19913 -0.45348 0.03735 0.00844 -0.03382 31 4XZ 0.22526 -0.00751 0.09963 0.09183 0.00515 32 4YZ -0.13063 0.36202 -0.03805 -0.01092 0.03228 33 4 H 1S -0.01272 0.25452 -0.09247 -0.04821 0.10410 34 2S 0.02707 0.13756 -0.15157 -0.24674 -0.30680 35 5 C 1S 0.00106 0.05535 0.18117 0.09384 -0.17922 36 2S -0.04599 0.18786 -1.50101 -0.93521 1.01673 37 2PX -0.10519 -0.01077 0.05579 0.04123 -0.03298 38 2PY -0.00161 -0.25208 -0.06937 -0.00230 0.12385 39 2PZ 0.06724 -0.02445 -0.01955 0.00248 0.01304 40 3S 0.17843 -2.13326 -0.41409 -1.75765 -0.11542 41 3PX -0.13493 -0.14468 0.10402 0.11345 0.10372 42 3PY 0.09236 -1.18025 1.97440 2.13352 0.54481 43 3PZ 0.15268 -0.10971 0.13918 0.10076 0.07423 44 4XX -0.04679 -0.36693 0.83191 0.50505 -0.57111 45 4YY 0.02630 0.53512 0.94267 0.54665 -0.78521 46 4ZZ 0.06268 -0.06218 0.78132 0.49299 -0.59572 47 4XY -0.62505 0.00715 0.07691 0.04703 -0.05355 48 4XZ -0.02209 0.42917 0.00010 -0.00044 -0.05676 49 4YZ 0.44286 0.02426 -0.01007 -0.00900 0.00521 50 6 C 1S 0.01550 -0.06417 0.04041 -0.05269 -0.11749 51 2S 0.17390 -0.14210 0.14913 0.55511 0.77790 52 2PX -0.10055 -0.06788 0.07651 0.04578 -0.04153 53 2PY -0.28366 0.09134 0.01267 0.06178 0.03279 54 2PZ 0.08390 0.00578 0.01264 0.00643 0.01236 55 3S -1.45823 2.77277 -1.73405 -0.03404 0.21063 56 3PX -0.21258 -0.64860 0.48515 0.27170 0.10691 57 3PY -1.13058 0.78728 -0.70592 -0.36629 -0.14510 58 3PZ 0.00054 0.73638 -0.71375 -0.31887 -0.07508 59 4XX 0.33172 -0.13651 -0.03989 -0.32861 -0.43488 60 4YY -0.57069 0.37284 0.05059 -0.23050 -0.43055 61 4ZZ 0.16090 -0.29488 0.07027 -0.23835 -0.42808 62 4XY 0.13511 0.40288 -0.07066 -0.00013 0.05224 63 4XZ -0.19850 -0.02460 0.12280 0.09933 -0.00068 64 4YZ -0.13078 -0.26349 0.02909 0.02429 -0.03327 65 7 H 1S 0.02744 0.17639 -0.04235 -0.00215 0.04719 66 2S -0.05898 0.08389 -0.21039 -0.24173 -0.16512 67 8 C 1S -0.01550 0.06417 -0.04045 -0.05265 -0.11749 68 2S -0.17390 0.14210 -0.14865 0.55527 0.77791 69 2PX 0.10054 0.06789 -0.07647 0.04585 -0.04153 70 2PY -0.28367 0.09134 0.01262 -0.06179 -0.03279 71 2PZ -0.08390 -0.00578 -0.01263 0.00645 0.01236 72 3S 1.45823 -2.77277 1.73400 -0.03571 0.21053 73 3PX 0.21256 0.64861 -0.48492 0.27220 0.10696 74 3PY -1.13059 0.78727 -0.70558 0.36697 0.14513 75 3PZ -0.00053 -0.73640 0.71347 -0.31956 -0.07512 76 4XX -0.33172 0.13653 0.03960 -0.32865 -0.43489 77 4YY 0.57069 -0.37286 -0.05078 -0.23048 -0.43055 78 4ZZ -0.16091 0.29488 -0.07046 -0.23829 -0.42808 79 4XY 0.13512 0.40287 -0.07066 0.00020 -0.05224 80 4XZ 0.19850 0.02459 -0.12271 0.09944 -0.00068 81 4YZ -0.13079 -0.26348 0.02907 -0.02432 0.03327 82 9 H 1S -0.02744 -0.17640 0.04235 -0.00219 0.04719 83 2S 0.05898 -0.08389 0.21018 -0.24195 -0.16514 84 10 C 1S -0.00106 -0.05535 -0.18109 0.09400 -0.17922 85 2S 0.04599 -0.18787 1.50017 -0.93656 1.01671 86 2PX 0.10519 0.01077 -0.05576 0.04129 -0.03298 87 2PY -0.00161 -0.25209 -0.06937 0.00236 -0.12385 88 2PZ -0.06724 0.02445 0.01956 0.00246 0.01304 89 3S -0.17842 2.13327 0.41255 -1.75793 -0.11535 90 3PX 0.13493 0.14463 -0.10384 0.11349 0.10372 91 3PY 0.09237 -1.18028 1.97251 -2.13533 -0.54484 92 3PZ -0.15269 0.10972 -0.13910 0.10088 0.07422 93 4XX 0.04676 0.36693 -0.83145 0.50580 -0.57109 94 4YY -0.02626 -0.53513 -0.94219 0.54750 -0.78519 95 4ZZ -0.06268 0.06218 -0.78089 0.49369 -0.59571 96 4XY -0.62506 0.00711 0.07686 -0.04711 0.05354 97 4XZ 0.02210 -0.42918 -0.00010 -0.00044 -0.05676 98 4YZ 0.44287 0.02428 -0.01006 0.00901 -0.00520 99 11 O 1S -0.00282 -0.01657 -0.25138 -0.36082 -0.07402 100 2S 0.02251 -0.11578 -0.34531 -0.45168 -0.03413 101 2PX -0.00048 -0.02435 -0.01820 -0.02081 0.01089 102 2PY 0.01199 -0.21746 -0.22035 -0.21979 0.07798 103 2PZ 0.00478 -0.01946 -0.01229 -0.01618 0.01298 104 3S 0.00215 -0.06865 3.57400 5.07239 1.10480 105 3PX -0.25797 -0.00811 0.08678 0.13045 0.01159 106 3PY -0.00912 -0.01781 0.68571 1.13507 0.35466 107 3PZ 0.16526 0.02329 0.03933 0.08933 -0.00216 108 4XX -0.07233 -0.01277 -0.84341 -1.23956 -0.27327 109 4YY 0.01698 -0.26990 -0.83203 -1.05197 -0.07153 110 4ZZ 0.03260 -0.04249 -0.84064 -1.22157 -0.26119 111 4XY -0.39550 -0.05199 0.02283 0.03817 0.01143 112 4XZ -0.00126 -0.07787 0.01407 0.02558 0.01947 113 4YZ 0.27663 0.00729 -0.00342 0.01500 0.00406 114 12 O 1S 0.00282 0.01657 0.25106 -0.36104 -0.07401 115 2S -0.02250 0.11578 0.34491 -0.45198 -0.03413 116 2PX 0.00048 0.02435 0.01817 -0.02082 0.01089 117 2PY 0.01199 -0.21746 -0.22016 0.21998 -0.07798 118 2PZ -0.00478 0.01946 0.01227 -0.01619 0.01298 119 3S -0.00216 0.06866 -3.56948 5.07553 1.10479 120 3PX 0.25797 0.00811 -0.08665 0.13049 0.01157 121 3PY -0.00912 -0.01782 0.68470 -1.13566 -0.35465 122 3PZ -0.16526 -0.02329 -0.03925 0.08937 -0.00216 123 4XX 0.07231 0.01277 0.84230 -1.24029 -0.27327 124 4YY -0.01697 0.26991 0.83109 -1.05271 -0.07154 125 4ZZ -0.03260 0.04249 0.83955 -1.22230 -0.26119 126 4XY -0.39550 -0.05199 0.02280 -0.03818 -0.01142 127 4XZ 0.00127 0.07787 -0.01405 0.02559 0.01947 128 4YZ 0.27664 0.00729 -0.00343 -0.01499 -0.00406 129 13 C 1S -0.00636 0.01704 0.06057 0.05852 0.00147 130 2S -0.00493 0.00452 -0.49635 -0.44043 -0.04524 131 2PX -0.02201 0.01379 0.03231 0.06948 0.01665 132 2PY -0.01992 0.01427 0.01831 0.01940 0.00620 133 2PZ -0.00433 0.02555 -0.01070 -0.02555 -0.00565 134 3S 0.04314 -0.44539 -0.14085 -0.23807 0.23552 135 3PX -0.00099 -0.06250 -0.33452 -0.25873 0.04883 136 3PY 0.19718 -0.29886 -0.05779 -0.05494 0.26494 137 3PZ 0.01455 0.09938 0.09302 0.12843 0.02383 138 4XX -0.00908 0.00187 0.27900 0.26474 0.03727 139 4YY -0.02011 0.03898 0.27939 0.26041 0.02927 140 4ZZ -0.00824 0.04276 0.23799 0.23246 0.01095 141 4XY -0.03607 0.01334 -0.02002 0.00765 0.00995 142 4XZ 0.01423 -0.01849 0.03330 -0.01446 -0.04701 143 4YZ -0.00236 0.02012 0.00608 -0.01102 0.00384 144 14 C 1S -0.00384 0.00040 0.00936 -0.05516 -0.05201 145 2S -0.06350 -0.09073 -0.03805 0.36417 0.36514 146 2PX -0.00126 0.00478 0.00188 0.01727 0.02199 147 2PY -0.00282 0.00845 0.00607 0.01979 0.03136 148 2PZ 0.00574 0.00528 -0.01914 -0.02085 -0.01903 149 3S 0.08792 0.50289 0.14359 0.35488 0.03346 150 3PX -0.05548 -0.21454 -0.06183 -0.05263 0.06620 151 3PY -0.03810 0.14054 -0.08563 -0.05158 -0.05497 152 3PZ -0.03042 0.12494 0.15932 0.07752 -0.04082 153 4XX 0.03122 0.02140 0.01625 -0.24883 -0.23496 154 4YY -0.01086 0.02502 0.02807 -0.19535 -0.19143 155 4ZZ -0.00058 0.02098 0.03171 -0.22168 -0.20907 156 4XY -0.01571 -0.00614 0.00891 -0.01544 -0.00323 157 4XZ -0.01563 -0.01532 0.00956 0.01450 0.01452 158 4YZ -0.00224 0.00081 0.00132 0.00642 0.00944 159 15 C 1S 0.00384 -0.00040 -0.00940 -0.05515 -0.05201 160 2S 0.06350 0.09073 0.03837 0.36414 0.36515 161 2PX 0.00126 -0.00478 -0.00186 0.01728 0.02199 162 2PY -0.00282 0.00845 0.00606 -0.01979 -0.03136 163 2PZ -0.00574 -0.00528 0.01912 -0.02087 -0.01903 164 3S -0.08792 -0.50289 -0.14328 0.35497 0.03342 165 3PX 0.05548 0.21454 0.06179 -0.05267 0.06621 166 3PY -0.03810 0.14053 -0.08558 0.05167 0.05499 167 3PZ 0.03042 -0.12494 -0.15925 0.07766 -0.04083 168 4XX -0.03122 -0.02140 -0.01647 -0.24882 -0.23497 169 4YY 0.01086 -0.02502 -0.02824 -0.19532 -0.19143 170 4ZZ 0.00058 -0.02099 -0.03191 -0.22165 -0.20908 171 4XY -0.01571 -0.00614 0.00892 0.01544 0.00323 172 4XZ 0.01563 0.01532 -0.00955 0.01451 0.01452 173 4YZ -0.00224 0.00081 0.00131 -0.00642 -0.00944 174 16 C 1S 0.00636 -0.01704 -0.06052 0.05858 0.00147 175 2S 0.00493 -0.00452 0.49596 -0.44089 -0.04525 176 2PX 0.02201 -0.01379 -0.03225 0.06951 0.01665 177 2PY -0.01992 0.01427 0.01829 -0.01942 -0.00620 178 2PZ 0.00433 -0.02555 0.01067 -0.02556 -0.00566 179 3S -0.04314 0.44539 0.14063 -0.23818 0.23555 180 3PX 0.00100 0.06250 0.33430 -0.25903 0.04883 181 3PY 0.19718 -0.29886 -0.05776 0.05498 -0.26497 182 3PZ -0.01455 -0.09938 -0.09290 0.12851 0.02383 183 4XX 0.00908 -0.00188 -0.27877 0.26500 0.03727 184 4YY 0.02011 -0.03898 -0.27915 0.26067 0.02927 185 4ZZ 0.00824 -0.04276 -0.23778 0.23268 0.01095 186 4XY -0.03607 0.01334 -0.02003 -0.00763 -0.00995 187 4XZ -0.01423 0.01849 -0.03331 -0.01443 -0.04701 188 4YZ -0.00236 0.02012 0.00609 0.01102 -0.00383 189 17 H 1S 0.02989 -0.01885 -0.06603 -0.05339 0.02271 190 2S 0.07307 -0.09197 0.02148 0.03915 0.08205 191 18 H 1S -0.02009 -0.00622 0.00356 0.01343 0.01457 192 2S -0.01245 0.06723 0.02590 -0.02957 -0.06390 193 19 H 1S 0.02009 0.00622 -0.00355 0.01343 0.01456 194 2S 0.01245 -0.06723 -0.02593 -0.02955 -0.06391 195 20 H 1S -0.02989 0.01885 0.06598 -0.05344 0.02272 196 2S -0.07308 0.09198 -0.02145 0.03917 0.08205 197 21 C 1S 0.00000 0.00000 0.00002 0.04835 0.01792 198 2S 0.00000 0.00000 -0.00007 -0.15096 0.00923 199 2PX 0.00000 0.00000 0.00000 -0.00591 -0.01909 200 2PY 0.01448 -0.01027 0.04840 -0.00002 0.00000 201 2PZ 0.00000 0.00000 0.00003 0.05943 -0.03345 202 3S 0.00000 0.00000 -0.00023 -0.53077 -0.33132 203 3PX 0.00000 0.00000 0.00004 0.11294 -0.10908 204 3PY 0.03659 -0.03983 0.07642 -0.00004 0.00000 205 3PZ 0.00000 0.00000 -0.00008 -0.17067 0.40790 206 4XX 0.00000 0.00000 0.00007 0.15899 0.05127 207 4YY 0.00000 0.00000 0.00005 0.10117 0.03516 208 4ZZ 0.00000 0.00000 0.00007 0.14501 0.01641 209 4XY 0.00738 -0.00715 -0.01000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 -0.00523 0.03871 211 4YZ -0.00125 -0.01656 -0.04466 0.00002 0.00000 212 22 H 1S 0.00000 0.00000 -0.00003 -0.06406 0.08039 213 2S 0.00000 0.00000 0.00015 0.34126 -0.30000 214 23 H 1S 0.00000 0.00000 0.00001 0.02076 -0.02251 215 2S 0.00000 0.00000 0.00006 0.13073 -0.09868 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 0.13134 0.08489 0.12984 -0.16751 -0.22035 2 2S -0.85583 -0.47385 -0.80126 0.88215 1.27310 3 2PX 0.04110 0.03983 0.02968 -0.09178 -0.04324 4 2PY 0.05917 0.01152 -0.10952 -0.04465 0.23947 5 2PZ -0.02823 -0.03086 -0.02430 0.05072 0.02761 6 3S -0.40652 -0.34835 -0.53338 0.89509 0.23137 7 3PX 0.01913 -0.17505 0.02157 0.27675 -0.32561 8 3PY -0.12906 0.13351 -0.11812 -0.00510 0.47894 9 3PZ -0.02146 0.13683 0.00281 -0.15163 0.17859 10 4XX 0.53742 0.33821 0.51908 -0.65528 -0.84810 11 4YY 0.48884 0.29768 0.67335 -0.58616 -1.10394 12 4ZZ 0.53238 0.33755 0.50203 -0.67229 -0.81648 13 4XY 0.01663 0.02626 0.03744 -0.05301 0.00045 14 4XZ -0.02630 0.00344 -0.02836 0.02978 0.03080 15 4YZ -0.01523 -0.02014 -0.02557 0.04114 0.01302 16 2 H 1S -0.04095 -0.04294 -0.03030 0.05080 0.04901 17 2S 0.13745 -0.04221 0.14285 -0.03766 -0.35967 18 3 C 1S 0.13135 0.08490 -0.12984 -0.16748 0.22038 19 2S -0.85584 -0.47386 0.80122 0.88198 -1.27325 20 2PX 0.04110 0.03983 -0.02968 -0.09178 0.04327 21 2PY -0.05917 -0.01151 -0.10952 0.04469 0.23946 22 2PZ -0.02823 -0.03086 0.02430 0.05072 -0.02762 23 3S -0.40655 -0.34835 0.53336 0.89509 -0.23153 24 3PX 0.01912 -0.17505 -0.02157 0.27681 0.32557 25 3PY 0.12907 -0.13351 -0.11812 0.00518 0.47892 26 3PZ -0.02146 0.13682 -0.00281 -0.15166 -0.17856 27 4XX 0.53743 0.33822 -0.51905 -0.65516 0.84821 28 4YY 0.48885 0.29770 -0.67332 -0.58601 1.10404 29 4ZZ 0.53239 0.33756 -0.50200 -0.67218 0.81659 30 4XY -0.01663 -0.02627 0.03743 0.05301 0.00045 31 4XZ -0.02629 0.00344 0.02836 0.02977 -0.03081 32 4YZ 0.01523 0.02014 -0.02557 -0.04114 0.01303 33 4 H 1S -0.04095 -0.04294 0.03029 0.05080 -0.04902 34 2S 0.13745 -0.04221 -0.14285 -0.03760 0.35967 35 5 C 1S -0.04060 -0.07435 0.01511 0.18498 0.09876 36 2S 0.36592 0.32904 -0.21538 -1.02224 -0.06288 37 2PX 0.03332 0.06086 -0.05097 -0.03421 0.00200 38 2PY 0.00923 0.04112 -0.01780 -0.05727 -0.08861 39 2PZ -0.03715 -0.02745 0.02198 0.03085 -0.03560 40 3S 0.17228 -0.00082 0.70822 -0.67338 1.50281 41 3PX -0.16208 0.03815 0.37138 0.13067 -0.18000 42 3PY -0.46577 0.72949 0.14800 -0.42733 -2.52433 43 3PZ 0.10584 0.01315 -0.24041 -0.13313 -0.17926 44 4XX -0.20714 -0.23046 0.11003 0.72701 0.11085 45 4YY -0.22565 -0.28234 0.12943 0.83475 0.33609 46 4ZZ -0.19123 -0.23913 0.09106 0.68209 0.17387 47 4XY 0.04910 0.06988 -0.04909 -0.04158 0.05684 48 4XZ 0.02444 0.00188 -0.05493 -0.04773 0.09845 49 4YZ -0.04818 -0.04939 0.04183 0.07271 -0.01847 50 6 C 1S -0.12198 -0.14480 0.09339 0.10584 0.08442 51 2S 0.69394 0.93620 -0.60023 -0.30251 -0.59498 52 2PX 0.02747 -0.04417 -0.02193 0.03258 -0.04076 53 2PY 0.01658 0.04557 0.05589 0.02485 0.10627 54 2PZ -0.02605 -0.01081 0.02684 0.02874 -0.01047 55 3S 0.53684 0.24348 -0.74178 -0.48152 0.73043 56 3PX -0.26546 0.24665 0.75810 -0.16261 -0.14907 57 3PY -0.02102 -0.12679 0.07673 0.04477 0.71154 58 3PZ 0.15709 -0.17623 -0.26965 -0.15486 0.41203 59 4XX -0.46088 -0.58303 0.38081 0.29761 0.34206 60 4YY -0.41236 -0.51345 0.39742 0.28538 0.44481 61 4ZZ -0.46403 -0.59252 0.40148 0.32168 0.33711 62 4XY 0.01558 -0.00924 -0.01438 -0.05576 -0.01696 63 4XZ -0.04786 -0.00078 0.05183 -0.01677 -0.01856 64 4YZ -0.03083 0.00248 0.03153 0.03631 0.03517 65 7 H 1S 0.07968 0.01510 -0.12105 -0.03006 -0.02282 66 2S -0.04649 -0.22281 -0.00166 0.08309 0.26383 67 8 C 1S -0.12198 -0.14479 -0.09339 0.10582 -0.08444 68 2S 0.69394 0.93619 0.60024 -0.30238 0.59504 69 2PX 0.02746 -0.04417 0.02193 0.03259 0.04076 70 2PY -0.01658 -0.04557 0.05589 -0.02483 0.10627 71 2PZ -0.02605 -0.01082 -0.02684 0.02874 0.01047 72 3S 0.53684 0.24347 0.74179 -0.48153 -0.73033 73 3PX -0.26546 0.24665 -0.75809 -0.16263 0.14911 74 3PY 0.02101 0.12679 0.07674 -0.04467 0.71155 75 3PZ 0.15709 -0.17622 0.26965 -0.15490 -0.41201 76 4XX -0.46088 -0.58302 -0.38082 0.29752 -0.34212 77 4YY -0.41236 -0.51344 -0.39743 0.28527 -0.44487 78 4ZZ -0.46403 -0.59252 -0.40149 0.32159 -0.33718 79 4XY -0.01558 0.00924 -0.01438 0.05575 -0.01697 80 4XZ -0.04786 -0.00078 -0.05183 -0.01677 0.01856 81 4YZ 0.03083 -0.00248 0.03153 -0.03630 0.03517 82 9 H 1S 0.07968 0.01510 0.12105 -0.03005 0.02282 83 2S -0.04649 -0.22281 0.00166 0.08306 -0.26385 84 10 C 1S -0.04060 -0.07435 -0.01511 0.18496 -0.09879 85 2S 0.36593 0.32904 0.21541 -1.02220 0.06305 86 2PX 0.03332 0.06086 0.05097 -0.03420 -0.00200 87 2PY -0.00923 -0.04112 -0.01780 0.05726 -0.08862 88 2PZ -0.03715 -0.02745 -0.02198 0.03085 0.03559 89 3S 0.17230 -0.00082 -0.70820 -0.67372 -1.50273 90 3PX -0.16205 0.03811 -0.37137 0.13068 0.17990 91 3PY 0.46580 -0.72949 0.14801 0.42688 -2.52445 92 3PZ 0.10582 0.01316 0.24041 -0.13308 0.17929 93 4XX -0.20715 -0.23047 -0.11005 0.72698 -0.11097 94 4YY -0.22565 -0.28234 -0.12945 0.83467 -0.33623 95 4ZZ -0.19123 -0.23913 -0.09109 0.68204 -0.17398 96 4XY -0.04910 -0.06987 -0.04909 0.04159 0.05682 97 4XZ 0.02444 0.00188 0.05493 -0.04775 -0.09845 98 4YZ 0.04817 0.04939 0.04183 -0.07271 -0.01846 99 11 O 1S 0.05925 -0.07900 0.01608 0.01110 0.30445 100 2S 0.08972 -0.11442 0.04296 0.01912 0.51081 101 2PX 0.00734 0.00369 0.00594 -0.01557 0.01004 102 2PY 0.05042 -0.00022 -0.00318 -0.09342 0.07431 103 2PZ 0.00333 -0.00745 -0.00251 -0.00562 0.00504 104 3S -0.87871 1.25345 -0.27892 -0.33453 -5.00672 105 3PX -0.00830 0.03608 -0.07996 -0.02367 -0.12879 106 3PY -0.17535 0.32613 -0.12752 -0.19659 -1.29175 107 3PZ -0.03366 0.04243 0.02906 0.00596 -0.09080 108 4XX 0.20392 -0.27230 0.05371 0.05135 1.06679 109 4YY 0.19371 -0.17134 0.00490 -0.12005 0.70807 110 4ZZ 0.19323 -0.27017 0.07002 0.05425 1.03674 111 4XY 0.00056 0.02196 -0.02747 -0.02160 -0.03672 112 4XZ -0.00520 0.00766 0.00317 0.01441 -0.04702 113 4YZ -0.00818 0.00956 0.00394 -0.00336 -0.02243 114 12 O 1S 0.05925 -0.07900 -0.01608 0.01104 -0.30446 115 2S 0.08973 -0.11442 -0.04296 0.01902 -0.51082 116 2PX 0.00734 0.00369 -0.00594 -0.01557 -0.01003 117 2PY -0.05043 0.00022 -0.00318 0.09343 0.07429 118 2PZ 0.00333 -0.00745 0.00251 -0.00562 -0.00504 119 3S -0.87876 1.25346 0.27890 -0.33357 5.00685 120 3PX -0.00830 0.03607 0.07996 -0.02364 0.12877 121 3PY 0.17536 -0.32614 -0.12753 0.19633 -1.29180 122 3PZ -0.03365 0.04243 -0.02906 0.00597 0.09080 123 4XX 0.20393 -0.27231 -0.05371 0.05114 -1.06682 124 4YY 0.19372 -0.17134 -0.00489 -0.12018 -0.70806 125 4ZZ 0.19324 -0.27018 -0.07001 0.05405 -1.03676 126 4XY -0.00056 -0.02195 -0.02747 0.02159 -0.03672 127 4XZ -0.00520 0.00766 -0.00317 0.01442 0.04702 128 4YZ 0.00818 -0.00956 0.00394 0.00335 -0.02243 129 13 C 1S -0.09384 -0.10991 0.22412 -0.17314 0.00321 130 2S 0.52380 0.59344 -0.94590 0.74636 0.06990 131 2PX 0.06637 -0.07419 -0.07053 0.00733 -0.03626 132 2PY 0.01829 -0.02100 0.06017 -0.02789 -0.02404 133 2PZ -0.02240 0.08374 -0.00659 0.04911 0.00867 134 3S 0.32468 0.57232 -1.14178 0.85759 0.07025 135 3PX 0.04816 0.14698 0.04864 -0.00172 0.23594 136 3PY 0.17528 0.17000 -0.43677 0.16590 0.06320 137 3PZ 0.02104 -0.13359 0.17105 -0.17354 -0.13482 138 4XX -0.27027 -0.50012 0.75245 -0.59059 -0.03008 139 4YY -0.35756 -0.34936 0.74099 -0.59799 -0.03274 140 4ZZ -0.29455 -0.42380 0.77247 -0.56584 -0.00778 141 4XY 0.04020 -0.07455 -0.03224 -0.02831 -0.00579 142 4XZ -0.09416 0.02811 0.07406 0.01503 0.02221 143 4YZ 0.01578 0.11699 0.05898 0.09768 0.00441 144 14 C 1S -0.26187 0.20211 0.24076 -0.05897 0.08104 145 2S 1.63602 -1.03724 -1.29088 0.40310 -0.43810 146 2PX 0.05755 -0.10276 -0.03587 -0.02112 -0.01937 147 2PY 0.05864 -0.02839 0.17018 -0.00743 0.05109 148 2PZ -0.01671 0.05570 -0.00830 0.03194 0.01507 149 3S 0.58970 -0.93429 -1.17400 -0.13841 -0.80457 150 3PX -0.02330 0.28893 0.06140 0.11053 0.17125 151 3PY -0.02807 -0.08073 -0.35059 0.00066 -0.15602 152 3PZ -0.04057 -0.18174 0.02932 -0.08951 -0.15159 153 4XX -1.03075 0.79106 0.85937 -0.19589 0.30952 154 4YY -0.92952 0.66509 1.07936 -0.22596 0.36381 155 4ZZ -1.03162 0.78508 0.87066 -0.21885 0.30329 156 4XY 0.01184 0.03251 -0.00466 0.04938 0.00197 157 4XZ 0.02433 -0.03456 0.04063 -0.01808 -0.00602 158 4YZ -0.00478 -0.03111 0.03725 -0.04721 0.00258 159 15 C 1S -0.26187 0.20211 -0.24076 -0.05899 -0.08103 160 2S 1.63601 -1.03723 1.29088 0.40320 0.43804 161 2PX 0.05755 -0.10276 0.03587 -0.02111 0.01938 162 2PY -0.05864 0.02839 0.17018 0.00744 0.05109 163 2PZ -0.01671 0.05570 0.00830 0.03194 -0.01507 164 3S 0.58969 -0.93428 1.17402 -0.13823 0.80461 165 3PX -0.02330 0.28893 -0.06141 0.11049 -0.17127 166 3PY 0.02807 0.08073 -0.35059 -0.00070 -0.15602 167 3PZ -0.04057 -0.18174 -0.02931 -0.08948 0.15161 168 4XX -1.03075 0.79105 -0.85938 -0.19596 -0.30949 169 4YY -0.92951 0.66508 -1.07936 -0.22605 -0.36378 170 4ZZ -1.03162 0.78508 -0.87066 -0.21892 -0.30326 171 4XY -0.01184 -0.03251 -0.00466 -0.04938 0.00198 172 4XZ 0.02433 -0.03456 -0.04063 -0.01808 0.00603 173 4YZ 0.00477 0.03111 0.03725 0.04721 0.00257 174 16 C 1S -0.09384 -0.10992 -0.22411 -0.17315 -0.00317 175 2S 0.52380 0.59346 0.94587 0.74638 -0.07005 176 2PX 0.06637 -0.07419 0.07054 0.00733 0.03626 177 2PY -0.01829 0.02100 0.06017 0.02789 -0.02405 178 2PZ -0.02240 0.08374 0.00659 0.04911 -0.00868 179 3S 0.32467 0.57233 1.14175 0.85760 -0.07043 180 3PX 0.04817 0.14698 -0.04865 -0.00176 -0.23595 181 3PY -0.17527 -0.17000 -0.43675 -0.16588 0.06324 182 3PZ 0.02103 -0.13359 -0.17104 -0.17352 0.13485 183 4XX -0.27027 -0.50013 -0.75244 -0.59061 0.03020 184 4YY -0.35756 -0.34937 -0.74097 -0.59800 0.03285 185 4ZZ -0.29455 -0.42381 -0.77246 -0.56586 0.00789 186 4XY -0.04020 0.07455 -0.03224 0.02831 -0.00580 187 4XZ -0.09416 0.02811 -0.07407 0.01503 -0.02221 188 4YZ -0.01578 -0.11699 0.05898 -0.09768 0.00442 189 17 H 1S 0.07394 0.06463 -0.07120 0.07776 0.03463 190 2S -0.03479 -0.02117 0.00750 -0.10804 -0.00771 191 18 H 1S 0.12141 -0.08851 -0.08858 0.05255 -0.03400 192 2S -0.21759 0.06019 0.15170 -0.08832 0.00130 193 19 H 1S 0.12141 -0.08851 0.08858 0.05255 0.03399 194 2S -0.21758 0.06019 -0.15170 -0.08833 -0.00128 195 20 H 1S 0.07394 0.06463 0.07120 0.07775 -0.03464 196 2S -0.03479 -0.02117 -0.00750 -0.10804 0.00773 197 21 C 1S -0.06911 -0.27725 0.00000 -0.26602 0.00002 198 2S 0.61051 1.49949 -0.00002 1.26703 -0.00011 199 2PX 0.00021 -0.04558 0.00000 0.04092 0.00000 200 2PY 0.00000 0.00000 0.03135 0.00000 0.01333 201 2PZ -0.01297 0.04052 0.00000 0.06024 -0.00001 202 3S -0.24745 1.08330 -0.00002 1.16337 -0.00011 203 3PX -0.11627 0.25612 0.00000 -0.32467 0.00004 204 3PY 0.00000 0.00000 -0.16540 -0.00002 -0.21233 205 3PZ 0.23886 0.01185 0.00000 0.00452 0.00000 206 4XX -0.34514 -1.04885 0.00002 -0.98050 0.00009 207 4YY -0.24248 -1.02002 0.00002 -0.91440 0.00008 208 4ZZ -0.32799 -1.02450 0.00002 -0.95476 0.00009 209 4XY 0.00000 0.00000 0.06599 0.00000 0.02072 210 4XZ 0.00509 -0.05807 0.00000 -0.03082 0.00000 211 4YZ 0.00000 0.00000 -0.09208 0.00000 0.04302 212 22 H 1S 0.04456 0.08362 0.00000 0.07885 -0.00001 213 2S -0.05018 -0.08481 0.00001 -0.58419 0.00006 214 23 H 1S 0.08177 0.05764 0.00000 0.09903 -0.00001 215 2S -0.13481 -0.36130 0.00000 -0.18297 0.00002 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 -0.12652 0.01860 0.09887 0.05032 -0.09472 2 2S 0.64787 -0.15529 -0.49870 -0.22900 0.30577 3 2PX -0.04406 0.01514 0.04686 0.02662 -0.01688 4 2PY 0.05989 0.01434 -0.05229 -0.00681 0.03531 5 2PZ 0.03738 -0.01996 -0.03372 -0.02888 0.00929 6 3S 1.78076 -0.11474 -1.05072 -0.31702 3.96130 7 3PX 0.48765 -0.11219 -0.30786 -0.38941 1.29624 8 3PY -0.36950 0.12256 -0.05287 0.46050 -1.82119 9 3PZ -0.36019 0.09451 0.21088 0.26362 -0.83422 10 4XX -0.49196 0.09774 0.38384 0.19181 -0.30797 11 4YY -0.59836 0.10089 0.49196 0.20245 -0.43310 12 4ZZ -0.48285 0.08544 0.38110 0.19475 -0.31784 13 4XY -0.07480 0.02879 0.06609 0.05445 -0.08894 14 4XZ 0.03893 -0.01521 -0.04423 0.00205 0.02776 15 4YZ 0.04937 -0.02869 -0.04559 -0.05775 0.08401 16 2 H 1S 0.04382 -0.02024 -0.01812 -0.05720 0.09617 17 2S 0.04771 -0.05538 0.02763 -0.19899 0.43613 18 3 C 1S 0.12651 0.01860 -0.09884 0.05039 0.09472 19 2S -0.64786 -0.15529 0.49852 -0.22937 -0.30577 20 2PX 0.04406 0.01514 -0.04684 0.02665 0.01688 21 2PY 0.05989 -0.01434 -0.05228 0.00684 0.03530 22 2PZ -0.03738 -0.01996 0.03370 -0.02891 -0.00929 23 3S -1.78073 -0.11473 1.05049 -0.31779 -3.96126 24 3PX -0.48765 -0.11219 0.30758 -0.38964 -1.29627 25 3PY -0.36949 -0.12255 -0.05320 -0.46046 -1.82114 26 3PZ 0.36019 0.09451 -0.21069 0.26377 0.83420 27 4XX 0.49195 0.09774 -0.38369 0.19209 0.30796 28 4YY 0.59835 0.10089 -0.49181 0.20282 0.43310 29 4ZZ 0.48284 0.08544 -0.38095 0.19503 0.31784 30 4XY -0.07479 -0.02879 0.06605 -0.05450 -0.08893 31 4XZ -0.03893 -0.01520 0.04423 0.00201 -0.02776 32 4YZ 0.04937 0.02869 -0.04555 0.05779 0.08401 33 4 H 1S -0.04382 -0.02024 0.01808 -0.05721 -0.09617 34 2S -0.04771 -0.05538 -0.02777 -0.19897 -0.43612 35 5 C 1S -0.15602 -0.11102 0.13834 -0.18224 -0.24144 36 2S 0.65415 0.47723 -0.70827 0.66537 0.60881 37 2PX 0.05189 -0.01939 0.03537 -0.01285 0.02581 38 2PY 0.05170 0.03288 -0.00788 0.08967 0.06985 39 2PZ -0.03793 0.02412 0.01341 0.03967 0.03052 40 3S 0.20371 0.46898 -0.32901 0.14842 2.53028 41 3PX -0.24257 0.25776 0.39841 0.56049 0.94552 42 3PY 1.11893 0.75442 -0.06101 2.28876 4.08691 43 3PZ 0.25383 -0.05457 -0.27849 -0.07692 -0.06160 44 4XX -0.51292 -0.41939 0.56599 -0.64939 -0.77682 45 4YY -0.64504 -0.46082 0.63559 -0.76335 -0.89844 46 4ZZ -0.52062 -0.40695 0.51194 -0.59886 -0.76162 47 4XY 0.06800 -0.04269 0.00520 -0.06826 -0.04107 48 4XZ -0.00201 0.07390 -0.04271 0.10858 0.12529 49 4YZ -0.08447 0.01440 0.04697 0.03567 0.03083 50 6 C 1S -0.23436 0.14534 0.08806 0.24839 0.32899 51 2S 0.96486 -0.71727 0.14302 -0.80385 -0.76418 52 2PX -0.02921 -0.02035 -0.02153 -0.04216 -0.00616 53 2PY -0.13073 0.00383 0.01845 -0.00202 0.05135 54 2PZ -0.03909 0.08229 0.03248 0.09546 0.12815 55 3S 1.77737 -0.81482 -1.82136 -2.17329 -7.43363 56 3PX 0.33980 0.27648 0.09439 0.33625 1.29465 57 3PY 0.13447 -0.11838 -0.10411 -0.09890 -1.72132 58 3PZ 0.06114 -0.28565 -0.75390 -0.65126 -1.94896 59 4XX -0.77566 0.59996 0.09053 0.82382 0.99543 60 4YY -0.95883 0.49046 0.22161 0.77740 1.24266 61 4ZZ -0.81204 0.56028 0.15938 0.86790 1.01593 62 4XY 0.05097 0.02560 -0.05678 0.09701 0.09926 63 4XZ -0.02076 -0.00005 0.00106 -0.05536 -0.02059 64 4YZ 0.01846 -0.01873 0.02133 -0.01293 -0.10701 65 7 H 1S -0.03236 -0.06877 0.00166 -0.06560 -0.02906 66 2S -0.25109 -0.03531 -0.03831 0.09353 -0.22478 67 8 C 1S 0.23437 0.14534 -0.08788 0.24845 -0.32899 68 2S -0.96488 -0.71727 -0.14360 -0.80371 0.76419 69 2PX 0.02921 -0.02035 0.02150 -0.04218 0.00616 70 2PY -0.13073 -0.00383 0.01845 0.00201 0.05135 71 2PZ 0.03910 0.08229 -0.03241 0.09548 -0.12816 72 3S -1.77741 -0.81484 1.81980 -2.17455 7.43366 73 3PX -0.33980 0.27649 -0.09414 0.33635 -1.29468 74 3PY 0.13446 0.11836 -0.10403 0.09895 -1.72130 75 3PZ -0.06115 -0.28566 0.75344 -0.65181 1.94901 76 4XX 0.77568 0.59996 -0.08994 0.82385 -0.99544 77 4YY 0.95885 0.49047 -0.22105 0.77753 -1.24268 78 4ZZ 0.81206 0.56028 -0.15876 0.86799 -1.01594 79 4XY 0.05097 -0.02561 -0.05685 -0.09697 0.09926 80 4XZ 0.02076 -0.00005 -0.00110 -0.05536 0.02059 81 4YZ 0.01846 0.01873 0.02134 0.01292 -0.10701 82 9 H 1S 0.03236 -0.06877 -0.00171 -0.06560 0.02906 83 2S 0.25110 -0.03532 0.03838 0.09348 0.22479 84 10 C 1S 0.15602 -0.11102 -0.13847 -0.18214 0.24144 85 2S -0.65417 0.47723 0.70876 0.66484 -0.60882 86 2PX -0.05189 -0.01939 -0.03538 -0.01283 -0.02581 87 2PY 0.05171 -0.03288 -0.00794 -0.08966 0.06985 88 2PZ 0.03793 0.02412 -0.01338 0.03968 -0.03052 89 3S -0.20373 0.46898 0.32917 0.14819 -2.53024 90 3PX 0.24261 0.25775 -0.39799 0.56071 -0.94540 91 3PY 1.11893 -0.75446 -0.06262 -2.28871 4.08707 92 3PZ -0.25385 -0.05458 0.27844 -0.07713 0.06159 93 4XX 0.51294 -0.41939 -0.56647 -0.64896 0.77683 94 4YY 0.64506 -0.46082 -0.63615 -0.76287 0.89845 95 4ZZ 0.52064 -0.40695 -0.51238 -0.59848 0.76163 96 4XY 0.06800 0.04269 0.00524 0.06825 -0.04107 97 4XZ 0.00201 0.07390 0.04279 0.10855 -0.12529 98 4YZ -0.08448 -0.01441 0.04694 -0.03571 0.03083 99 11 O 1S -0.10050 -0.05302 -0.01038 -0.20708 -0.21764 100 2S -0.17868 -0.11591 -0.02684 -0.47077 -0.56833 101 2PX -0.00016 0.00399 -0.00929 -0.00498 0.00529 102 2PY 0.03555 0.02386 -0.08074 -0.01073 0.00401 103 2PZ 0.00170 -0.00119 -0.00949 0.00351 0.00332 104 3S 1.75529 0.99258 0.07840 3.76362 4.43922 105 3PX 0.11510 -0.01663 -0.03994 0.05532 0.01525 106 3PY 0.51449 0.32055 -0.07767 1.08369 1.17552 107 3PZ -0.00244 0.04890 0.04707 0.11291 0.13582 108 4XX -0.35609 -0.19248 -0.01478 -0.71847 -0.73540 109 4YY -0.14480 -0.04159 -0.15235 -0.36005 -0.37793 110 4ZZ -0.35381 -0.19569 -0.02268 -0.73684 -0.75718 111 4XY 0.04208 -0.00121 -0.00923 0.02467 0.02297 112 4XZ 0.00689 -0.01164 0.00920 -0.01535 -0.01431 113 4YZ -0.00207 0.02526 0.00508 0.05348 0.05476 114 12 O 1S 0.10050 -0.05302 0.01023 -0.20709 0.21765 115 2S 0.17868 -0.11592 0.02651 -0.47079 0.56836 116 2PX 0.00016 0.00398 0.00929 -0.00499 -0.00529 117 2PY 0.03555 -0.02386 -0.08073 0.01079 0.00401 118 2PZ -0.00170 -0.00119 0.00949 0.00350 -0.00332 119 3S -1.75529 0.99263 -0.07576 3.76364 -4.43944 120 3PX -0.11509 -0.01664 0.03997 0.05526 -0.01523 121 3PY 0.51449 -0.32056 -0.07843 -1.08362 1.17558 122 3PZ 0.00244 0.04891 -0.04699 0.11294 -0.13583 123 4XX 0.35609 -0.19249 0.01427 -0.71848 0.73544 124 4YY 0.14479 -0.04159 0.15211 -0.36016 0.37795 125 4ZZ 0.35381 -0.19570 0.02216 -0.73684 0.75722 126 4XY 0.04207 0.00122 -0.00924 -0.02465 0.02296 127 4XZ -0.00689 -0.01164 -0.00921 -0.01534 0.01431 128 4YZ -0.00207 -0.02526 0.00504 -0.05348 0.05476 129 13 C 1S -0.00478 0.19621 -0.33409 -0.21940 -0.12060 130 2S 0.36303 -1.19830 1.09152 0.80995 -0.08160 131 2PX -0.05000 0.01170 0.00091 0.00021 -0.01332 132 2PY -0.01563 0.07544 -0.15994 -0.11197 -0.06400 133 2PZ 0.03392 -0.00902 0.06032 0.03422 -0.01116 134 3S 0.04074 -1.62228 3.76614 2.12694 2.30263 135 3PX 0.26549 0.07646 0.04141 -0.03077 -0.11491 136 3PY -0.06050 -0.18081 1.28055 0.64024 0.96456 137 3PZ 0.06787 -0.17588 -0.41917 -0.18847 -0.37733 138 4XX -0.19676 0.81147 -1.19353 -0.72226 -0.24227 139 4YY -0.12130 0.89041 -1.07364 -0.83941 -0.26672 140 4ZZ -0.12655 0.84839 -1.16870 -0.74210 -0.29669 141 4XY -0.01951 -0.02017 -0.05773 -0.00760 -0.04330 142 4XZ 0.04986 -0.06246 0.10176 0.06542 0.07653 143 4YZ 0.04656 0.07219 -0.00198 -0.00573 -0.03483 144 14 C 1S 0.21128 -0.04990 0.14995 -0.00724 0.02773 145 2S -1.07323 0.34125 -0.73866 0.10018 -0.08064 146 2PX -0.08357 0.06492 -0.09858 -0.01165 -0.00642 147 2PY 0.11811 0.03223 0.03648 -0.00720 -0.00543 148 2PZ 0.04525 -0.04580 0.08777 0.02558 0.00537 149 3S -1.73213 0.38815 -3.05154 -0.62576 -1.45403 150 3PX 0.26903 -0.06143 0.89061 0.28329 0.57551 151 3PY -0.36868 -0.04430 -0.66637 -0.01162 -0.31186 152 3PZ -0.16216 0.02607 -0.60544 -0.17118 -0.32686 153 4XX 0.78907 -0.26212 0.62997 -0.01299 0.09791 154 4YY 0.96727 -0.19500 0.68064 -0.03965 0.10633 155 4ZZ 0.79343 -0.26066 0.61507 0.00197 0.10638 156 4XY 0.03062 -0.03878 0.06680 0.05966 0.01409 157 4XZ -0.03843 0.09457 -0.12832 -0.03454 -0.02196 158 4YZ 0.00342 0.00644 -0.06258 -0.04755 -0.02883 159 15 C 1S -0.21128 -0.04989 -0.14996 -0.00713 -0.02773 160 2S 1.07324 0.34121 0.73873 0.09966 0.08064 161 2PX 0.08358 0.06491 0.09858 -0.01172 0.00642 162 2PY 0.11811 -0.03223 0.03648 0.00717 -0.00543 163 2PZ -0.04526 -0.04579 -0.08776 0.02564 -0.00537 164 3S 1.73215 0.38807 3.05110 -0.62794 1.45405 165 3PX -0.26903 -0.06141 -0.89041 0.28392 -0.57552 166 3PY -0.36869 0.04431 -0.66636 0.01210 -0.31186 167 3PZ 0.16217 0.02606 0.60532 -0.17161 0.32686 168 4XX -0.78909 -0.26209 -0.62997 -0.01255 -0.09790 169 4YY -0.96728 -0.19498 -0.68067 -0.03917 -0.10633 170 4ZZ -0.79345 -0.26064 -0.61507 0.00241 -0.10637 171 4XY 0.03062 0.03878 0.06676 -0.05971 0.01409 172 4XZ 0.03843 0.09457 0.12830 -0.03463 0.02196 173 4YZ 0.00342 -0.00644 -0.06255 0.04760 -0.02883 174 16 C 1S 0.00478 0.19620 0.33394 -0.21964 0.12060 175 2S -0.36304 -1.19827 -1.09096 0.81072 0.08158 176 2PX 0.05000 0.01170 -0.00092 0.00021 0.01332 177 2PY -0.01563 -0.07544 -0.15986 0.11209 -0.06401 178 2PZ -0.03392 -0.00902 -0.06029 0.03426 0.01116 179 3S -0.04074 -1.62222 -3.76471 2.12960 -2.30272 180 3PX -0.26549 0.07648 -0.04141 -0.03074 0.11492 181 3PY -0.06049 0.18079 1.28010 -0.64115 0.96458 182 3PZ -0.06788 -0.17589 0.41904 -0.18877 0.37734 183 4XX 0.19676 0.81145 1.19303 -0.72310 0.24229 184 4YY 0.12131 0.89038 1.07306 -0.84016 0.26674 185 4ZZ 0.12656 0.84837 1.16819 -0.74292 0.29671 186 4XY -0.01951 0.02017 -0.05773 0.00764 -0.04330 187 4XZ -0.04987 -0.06246 -0.10172 0.06549 -0.07653 188 4YZ 0.04655 -0.07219 -0.00198 0.00573 -0.03483 189 17 H 1S 0.03045 -0.03133 0.06069 0.07643 -0.00692 190 2S -0.02166 0.26663 0.01104 -0.05074 0.17856 191 18 H 1S -0.07859 0.02647 -0.06483 0.03529 -0.00746 192 2S 0.11606 -0.07970 -0.10481 -0.07269 -0.12385 193 19 H 1S 0.07859 0.02646 0.06486 0.03524 0.00746 194 2S -0.11606 -0.07970 0.10475 -0.07277 0.12386 195 20 H 1S -0.03046 -0.03132 -0.06063 0.07648 0.00693 196 2S 0.02166 0.26663 -0.01107 -0.05073 -0.17856 197 21 C 1S 0.00000 -0.33923 0.00002 0.07236 0.00000 198 2S 0.00002 1.64410 -0.00015 -0.47027 0.00001 199 2PX 0.00000 -0.04063 0.00001 0.03451 0.00000 200 2PY -0.02253 0.00000 0.04662 -0.00002 0.06433 201 2PZ 0.00000 0.13303 0.00002 0.04069 0.00000 202 3S 0.00002 2.93118 -0.00054 -1.67006 0.00007 203 3PX 0.00000 0.01176 -0.00012 -0.34199 0.00000 204 3PY -0.02121 0.00000 0.57730 -0.00020 0.40845 205 3PZ 0.00000 -0.39144 0.00004 0.16452 -0.00002 206 4XX -0.00001 -1.23543 0.00008 0.26054 -0.00001 207 4YY -0.00001 -1.40069 0.00013 0.40770 -0.00002 208 4ZZ -0.00001 -1.28808 0.00010 0.33546 -0.00001 209 4XY -0.00103 0.00000 -0.06941 0.00002 -0.02256 210 4XZ 0.00000 0.10323 -0.00001 -0.03477 0.00000 211 4YZ 0.01743 0.00000 0.11826 -0.00004 0.00749 212 22 H 1S 0.00000 0.02076 0.00000 -0.00617 0.00000 213 2S -0.00001 -0.48278 0.00002 0.07785 -0.00001 214 23 H 1S 0.00000 -0.02115 0.00003 0.07616 0.00000 215 2S 0.00000 -0.25767 0.00008 0.23215 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05488 2 2S -0.06574 0.33152 3 2PX 0.00144 -0.00055 0.38170 4 2PY -0.00125 0.00083 -0.00498 0.44170 5 2PZ -0.00041 -0.00136 -0.05073 0.00247 0.35287 6 3S -0.19989 0.32136 0.04481 0.08109 -0.03012 7 3PX -0.00666 0.00062 0.18111 0.01415 0.02128 8 3PY 0.00006 0.00777 0.00920 0.11831 -0.00422 9 3PZ 0.00308 0.00234 0.02286 -0.00793 0.19447 10 4XX -0.01656 -0.00528 0.00036 0.01189 0.00350 11 4YY -0.01817 -0.00063 -0.00175 -0.01162 0.00145 12 4ZZ -0.01420 -0.01001 -0.00184 0.00669 -0.00204 13 4XY 0.00168 -0.00321 0.00846 -0.00095 -0.01510 14 4XZ 0.00448 -0.00901 0.00226 -0.01010 -0.00008 15 4YZ -0.00124 0.00242 -0.01509 0.00109 -0.00056 16 2 H 1S -0.06142 0.11783 -0.18292 0.14461 0.13429 17 2S -0.01091 0.02323 -0.15807 0.10740 0.11584 18 3 C 1S 0.01890 -0.03858 -0.00062 0.08565 0.00082 19 2S -0.03858 0.06917 -0.00125 -0.17172 -0.00060 20 2PX -0.00062 -0.00125 0.12712 0.00181 0.12932 21 2PY -0.08565 0.17172 -0.00182 -0.32412 0.00261 22 2PZ 0.00082 -0.00060 0.12932 -0.00262 0.20356 23 3S 0.02136 -0.01375 0.01266 -0.13543 -0.00305 24 3PX 0.00636 -0.00664 0.08068 0.01317 0.09021 25 3PY -0.00238 0.01747 -0.01572 -0.09419 0.01012 26 3PZ -0.00393 0.00164 0.08811 -0.01109 0.13410 27 4XX 0.00298 -0.00662 0.00096 0.01058 0.00177 28 4YY -0.00578 0.01027 0.00025 -0.00542 -0.00018 29 4ZZ 0.00263 -0.00570 -0.00138 0.00909 -0.00095 30 4XY 0.00006 0.00005 0.01407 -0.00156 -0.00061 31 4XZ -0.00085 0.00197 0.00036 -0.00292 0.00076 32 4YZ -0.00009 -0.00004 -0.00051 0.00080 0.01379 33 4 H 1S 0.01313 -0.02727 0.01365 0.04218 -0.01246 34 2S 0.01514 -0.02757 0.03304 0.07027 -0.02575 35 5 C 1S -0.00347 0.00792 0.00473 -0.01413 -0.00308 36 2S 0.00930 -0.01915 -0.00996 0.03815 0.00928 37 2PX -0.00841 0.02042 0.02132 -0.02484 0.00256 38 2PY 0.01017 -0.02553 -0.01214 0.03902 0.00519 39 2PZ 0.00640 -0.01564 0.00272 0.02461 0.01887 40 3S 0.00123 -0.01520 -0.04435 0.05202 0.02570 41 3PX -0.00315 0.00891 0.02188 -0.01060 -0.01401 42 3PY -0.00832 0.01165 -0.00829 -0.02478 0.00008 43 3PZ 0.00020 -0.00323 -0.01384 0.00579 0.00973 44 4XX 0.00049 -0.00100 -0.00461 0.00250 -0.00626 45 4YY -0.00171 0.00375 0.00081 -0.00901 -0.00073 46 4ZZ 0.00078 -0.00153 0.00473 0.00241 0.00727 47 4XY -0.00007 0.00020 0.00396 0.00166 0.00656 48 4XZ -0.00051 0.00119 -0.00077 -0.00149 -0.00142 49 4YZ -0.00016 0.00034 0.00613 -0.00132 0.00633 50 6 C 1S -0.00069 0.00021 0.00316 -0.00158 -0.00066 51 2S 0.00077 -0.00157 -0.00830 0.00249 0.00269 52 2PX -0.00555 0.01296 -0.00042 -0.00595 -0.03301 53 2PY 0.00244 -0.00579 -0.00711 0.00155 0.01354 54 2PZ -0.00019 0.00136 -0.01691 0.00728 -0.02480 55 3S 0.00004 0.01046 -0.00512 0.01116 -0.00756 56 3PX -0.00538 0.00990 -0.00748 -0.00686 -0.01992 57 3PY 0.00049 0.00257 0.00906 0.01068 0.00706 58 3PZ 0.00148 0.00006 -0.00139 0.00709 -0.01608 59 4XX 0.00016 -0.00054 -0.00081 0.00101 -0.00089 60 4YY 0.00001 0.00000 -0.00061 -0.00106 0.00025 61 4ZZ -0.00020 0.00010 0.00098 0.00006 0.00122 62 4XY -0.00050 0.00124 0.00124 0.00141 -0.00130 63 4XZ -0.00016 0.00029 -0.00104 -0.00100 -0.00065 64 4YZ 0.00027 -0.00073 -0.00102 -0.00130 0.00089 65 7 H 1S 0.00027 -0.00066 0.00287 -0.00590 0.00480 66 2S 0.00433 -0.00900 0.00426 -0.00108 0.01707 67 8 C 1S -0.00564 0.01232 0.01708 0.00730 -0.01143 68 2S 0.01174 -0.02527 -0.03726 -0.01625 0.02602 69 2PX -0.01769 0.04103 0.03871 0.02376 -0.05046 70 2PY 0.00621 -0.01337 -0.02442 -0.01525 0.01122 71 2PZ 0.01187 -0.02701 -0.04430 -0.01907 0.01410 72 3S 0.02646 -0.06299 -0.11911 -0.03874 0.06942 73 3PX -0.01054 0.02630 0.03617 0.00959 -0.04213 74 3PY 0.00462 -0.00455 -0.03164 -0.01208 0.01553 75 3PZ 0.00505 -0.01302 -0.02778 -0.00481 0.00981 76 4XX -0.00059 0.00106 0.00199 0.00172 -0.00423 77 4YY 0.00030 -0.00038 -0.00232 -0.00090 0.00169 78 4ZZ -0.00074 0.00162 0.00429 0.00134 0.00001 79 4XY -0.00059 0.00117 0.00248 0.00087 -0.00056 80 4XZ 0.00048 -0.00101 -0.00402 -0.00155 0.00116 81 4YZ 0.00058 -0.00132 -0.00076 -0.00055 0.00232 82 9 H 1S -0.00639 0.01466 0.02292 0.00990 -0.01411 83 2S -0.01322 0.02771 0.05698 0.02701 -0.02681 84 10 C 1S 0.01366 -0.02877 -0.04921 -0.03670 0.03827 85 2S -0.02700 0.04998 0.10326 0.08129 -0.07860 86 2PX 0.04817 -0.09788 -0.11266 -0.11148 0.15174 87 2PY 0.03450 -0.06310 -0.11026 -0.07556 0.09182 88 2PZ -0.03791 0.07829 0.15541 0.09259 -0.03236 89 3S 0.00313 0.01924 0.09754 0.06808 -0.07757 90 3PX -0.00377 -0.00032 0.00640 -0.01745 0.02279 91 3PY 0.00176 -0.01530 -0.04173 0.02334 0.03680 92 3PZ 0.00194 0.00318 0.02863 0.01188 0.01311 93 4XX -0.00219 0.00274 -0.00886 0.00458 -0.00338 94 4YY 0.00072 -0.00218 -0.00119 -0.01245 0.00156 95 4ZZ -0.00143 0.00156 0.00320 0.00402 0.00816 96 4XY -0.00646 0.01269 0.00921 0.00642 -0.01353 97 4XZ 0.00363 -0.00648 -0.00193 -0.00646 -0.00098 98 4YZ 0.00457 -0.00887 -0.01243 -0.00399 0.00154 99 11 O 1S 0.00122 -0.00293 -0.00147 0.00574 0.00026 100 2S -0.00272 0.00603 0.00279 -0.01165 0.00116 101 2PX 0.00834 -0.01540 -0.03668 0.02463 -0.05038 102 2PY -0.00778 0.01970 0.01373 -0.03343 0.01040 103 2PZ -0.00733 0.01343 -0.04981 -0.03074 -0.05725 104 3S -0.00776 0.01737 0.01030 -0.04464 -0.00839 105 3PX 0.00647 -0.01288 -0.03235 0.02009 -0.03624 106 3PY -0.00565 0.01460 0.01313 -0.02927 0.00501 107 3PZ -0.00521 0.01054 -0.03536 -0.02522 -0.04585 108 4XX 0.00021 -0.00083 -0.00111 0.00185 -0.00052 109 4YY 0.00009 -0.00009 0.00027 0.00090 0.00104 110 4ZZ 0.00014 -0.00068 -0.00025 0.00132 0.00097 111 4XY -0.00006 0.00017 -0.00107 -0.00013 -0.00198 112 4XZ -0.00021 0.00042 -0.00046 -0.00090 -0.00053 113 4YZ 0.00003 0.00001 -0.00203 -0.00032 -0.00215 114 12 O 1S -0.00270 0.00604 0.00179 0.01109 -0.00263 115 2S 0.00753 -0.01592 -0.00820 -0.02504 0.00973 116 2PX -0.02529 0.05228 0.03851 0.06073 -0.04397 117 2PY -0.01467 0.02538 0.03088 0.04290 -0.02796 118 2PZ 0.02057 -0.03877 -0.04693 -0.05380 0.01081 119 3S 0.00159 -0.00253 0.01529 -0.06120 -0.00631 120 3PX -0.02071 0.04400 0.03190 0.05172 -0.04426 121 3PY -0.00710 0.01222 0.01194 0.03593 -0.01504 122 3PZ 0.01624 -0.03181 -0.04437 -0.04590 0.00444 123 4XX 0.00015 -0.00036 -0.00208 0.00187 0.00068 124 4YY 0.00062 -0.00111 -0.00067 0.00141 -0.00007 125 4ZZ 0.00015 -0.00053 -0.00038 0.00129 0.00155 126 4XY -0.00019 0.00020 0.00159 0.00080 -0.00243 127 4XZ 0.00002 -0.00024 0.00033 -0.00132 -0.00033 128 4YZ -0.00003 -0.00016 -0.00215 -0.00051 0.00044 129 13 C 1S 0.00004 -0.00036 -0.00020 0.00058 -0.00074 130 2S 0.00024 0.00026 0.00217 -0.00109 0.00434 131 2PX -0.00001 -0.00137 0.00908 0.00280 0.01031 132 2PY 0.00017 0.00040 -0.00102 0.00071 -0.00217 133 2PZ -0.00100 0.00290 0.01207 0.00201 0.01056 134 3S -0.00218 0.00447 -0.00184 -0.00360 -0.00386 135 3PX -0.00017 -0.00121 0.00786 0.00195 0.01071 136 3PY -0.00066 -0.00005 -0.00997 -0.00015 -0.00872 137 3PZ -0.00121 0.00342 0.01491 0.00226 0.01193 138 4XX -0.00005 -0.00002 -0.00056 0.00033 -0.00131 139 4YY -0.00004 0.00005 0.00072 -0.00004 0.00096 140 4ZZ 0.00010 -0.00009 0.00008 -0.00011 0.00032 141 4XY 0.00002 0.00001 0.00046 0.00005 0.00063 142 4XZ -0.00021 0.00051 0.00013 0.00003 -0.00088 143 4YZ -0.00002 0.00007 0.00001 0.00005 -0.00005 144 14 C 1S -0.00025 0.00070 0.00081 -0.00019 0.00022 145 2S 0.00052 -0.00164 -0.00162 -0.00009 0.00102 146 2PX -0.00182 0.00454 -0.00206 0.00179 -0.01389 147 2PY 0.00013 -0.00032 -0.00050 -0.00125 0.00098 148 2PZ -0.00096 0.00135 -0.00340 0.00290 -0.01363 149 3S 0.00186 -0.00303 -0.00313 0.00004 -0.00422 150 3PX -0.00202 0.00387 -0.00306 0.00116 -0.01240 151 3PY 0.00071 -0.00115 -0.00033 -0.00162 0.00184 152 3PZ -0.00106 0.00188 -0.00408 0.00224 -0.01548 153 4XX 0.00001 0.00011 -0.00023 -0.00013 -0.00034 154 4YY 0.00003 -0.00009 -0.00010 -0.00013 0.00028 155 4ZZ -0.00009 0.00020 0.00065 0.00003 0.00063 156 4XY 0.00002 -0.00010 -0.00063 -0.00012 -0.00050 157 4XZ -0.00003 0.00005 -0.00025 -0.00003 -0.00046 158 4YZ 0.00003 0.00000 -0.00049 -0.00006 -0.00046 159 15 C 1S -0.00022 0.00090 0.00081 0.00000 -0.00028 160 2S 0.00087 -0.00200 -0.00221 -0.00118 0.00166 161 2PX 0.00002 0.00026 -0.00952 -0.00132 -0.01028 162 2PY 0.00019 -0.00009 -0.00058 0.00045 -0.00058 163 2PZ 0.00072 -0.00099 -0.01146 -0.00056 -0.01195 164 3S 0.00136 -0.00394 -0.00213 0.00104 0.00647 165 3PX 0.00006 0.00051 -0.01063 -0.00269 -0.01198 166 3PY 0.00128 -0.00240 -0.00445 -0.00201 0.00018 167 3PZ 0.00070 -0.00125 -0.00981 -0.00050 -0.00857 168 4XX 0.00000 0.00005 -0.00002 -0.00005 -0.00016 169 4YY 0.00010 -0.00016 -0.00022 -0.00019 0.00019 170 4ZZ 0.00001 0.00004 0.00040 -0.00015 0.00059 171 4XY 0.00006 -0.00013 0.00026 -0.00003 0.00075 172 4XZ -0.00010 0.00026 0.00005 0.00014 -0.00077 173 4YZ 0.00010 -0.00016 -0.00010 -0.00018 0.00051 174 16 C 1S 0.00011 0.00061 0.00046 0.00055 -0.00024 175 2S -0.00011 -0.00051 0.00204 -0.00017 0.00213 176 2PX 0.00092 -0.00056 0.00238 -0.00031 0.00643 177 2PY 0.00064 -0.00066 -0.00368 -0.00156 -0.00319 178 2PZ -0.00015 -0.00003 0.00493 -0.00051 0.00730 179 3S 0.00069 -0.00457 -0.01399 -0.00857 -0.00471 180 3PX -0.00062 0.00229 0.00442 0.00179 0.00082 181 3PY 0.00193 -0.00310 0.00482 -0.00082 0.00838 182 3PZ 0.00238 -0.00537 0.00157 -0.00383 0.01735 183 4XX 0.00020 -0.00027 -0.00078 0.00000 -0.00057 184 4YY -0.00003 0.00013 0.00054 0.00003 0.00036 185 4ZZ -0.00012 0.00044 0.00095 0.00040 -0.00011 186 4XY 0.00007 -0.00018 -0.00054 -0.00011 -0.00047 187 4XZ -0.00001 0.00017 -0.00030 -0.00014 -0.00020 188 4YZ 0.00007 0.00004 0.00000 -0.00002 -0.00023 189 17 H 1S -0.00019 0.00024 0.00308 -0.00041 0.00489 190 2S 0.00037 -0.00188 -0.00683 0.00135 -0.00367 191 18 H 1S -0.00015 0.00078 0.00061 0.00022 0.00026 192 2S 0.00002 0.00067 0.00136 0.00002 0.00155 193 19 H 1S 0.00012 -0.00041 0.00023 -0.00026 0.00200 194 2S -0.00062 0.00102 0.00403 0.00134 0.00234 195 20 H 1S -0.00005 0.00007 0.00053 -0.00030 -0.00017 196 2S -0.00331 0.00733 0.00383 0.00586 -0.01158 197 21 C 1S -0.00029 0.00200 0.00382 -0.00065 0.00342 198 2S 0.00123 -0.00368 -0.00704 0.00054 -0.00571 199 2PX -0.00319 0.01103 0.02346 -0.00191 0.02199 200 2PY -0.00075 -0.00059 0.00150 0.00080 -0.00074 201 2PZ 0.00121 -0.00203 -0.00943 -0.00056 -0.00850 202 3S -0.00147 -0.00199 -0.01835 0.00509 -0.02858 203 3PX -0.00001 0.00542 0.02448 -0.00134 0.02347 204 3PY -0.00188 0.00415 0.00623 0.00320 -0.00421 205 3PZ -0.00148 0.00014 -0.01985 -0.00084 -0.02495 206 4XX 0.00017 -0.00047 -0.00052 0.00002 -0.00070 207 4YY 0.00008 0.00027 0.00110 -0.00005 0.00089 208 4ZZ 0.00019 0.00009 -0.00040 -0.00027 -0.00055 209 4XY 0.00005 -0.00009 -0.00034 -0.00010 -0.00008 210 4XZ -0.00025 0.00064 0.00056 -0.00034 0.00014 211 4YZ 0.00002 -0.00002 -0.00023 -0.00011 -0.00005 212 22 H 1S 0.00098 -0.00631 -0.00688 0.00109 -0.00547 213 2S 0.00536 -0.00675 0.02812 0.00325 0.04011 214 23 H 1S -0.00031 0.00232 0.00056 -0.00129 0.00006 215 2S -0.00015 0.00254 0.00190 -0.00201 0.00243 6 7 8 9 10 6 3S 0.46783 7 3PX 0.04109 0.10016 8 3PY -0.01287 0.00446 0.06109 9 3PZ -0.01934 0.03213 -0.00221 0.11851 10 4XX -0.00228 0.00089 0.00229 0.00164 0.00077 11 4YY -0.00436 -0.00159 -0.00138 0.00107 -0.00023 12 4ZZ -0.00699 -0.00080 0.00101 -0.00146 0.00041 13 4XY -0.00363 0.00134 0.00024 -0.00702 -0.00005 14 4XZ -0.00916 0.00089 -0.00227 0.00016 -0.00021 15 4YZ 0.00244 -0.00704 -0.00017 -0.00284 0.00004 16 2 H 1S 0.11500 -0.06569 0.03411 0.04929 0.00343 17 2S 0.00756 -0.05597 0.02316 0.04019 0.00395 18 3 C 1S 0.02136 0.00636 0.00238 -0.00393 0.00298 19 2S -0.01375 -0.00664 -0.01747 0.00164 -0.00662 20 2PX 0.01266 0.08068 0.01572 0.08811 0.00096 21 2PY 0.13543 -0.01318 -0.09419 0.01108 -0.01058 22 2PZ -0.00305 0.09021 -0.01012 0.13410 0.00177 23 3S -0.17340 -0.00774 0.04148 0.00310 -0.00509 24 3PX -0.00774 0.05110 0.01476 0.06202 0.00095 25 3PY -0.04148 -0.01476 -0.00720 0.00816 -0.00288 26 3PZ 0.00310 0.06202 -0.00817 0.08889 0.00067 27 4XX -0.00509 0.00095 0.00288 0.00067 0.00041 28 4YY 0.01095 -0.00008 -0.00236 0.00016 -0.00024 29 4ZZ -0.00364 -0.00045 0.00206 -0.00062 0.00031 30 4XY -0.00032 0.00685 0.00018 0.00177 -0.00003 31 4XZ 0.00387 0.00013 -0.00167 0.00050 -0.00005 32 4YZ 0.00040 0.00166 -0.00009 0.00797 0.00016 33 4 H 1S -0.04955 0.00688 0.01692 -0.00639 0.00097 34 2S -0.02141 0.01551 0.01493 -0.01092 0.00181 35 5 C 1S -0.01350 -0.00469 -0.00010 0.00253 -0.00031 36 2S 0.00059 0.00188 0.01153 0.00123 0.00102 37 2PX 0.01132 0.00846 -0.00453 -0.00296 -0.00042 38 2PY -0.07902 -0.00757 0.04059 0.00269 0.00015 39 2PZ 0.00366 0.00009 0.00082 -0.00016 0.00105 40 3S 0.00232 -0.00939 0.01716 0.00367 0.00102 41 3PX 0.01710 0.00980 0.00159 -0.01086 -0.00054 42 3PY 0.01666 -0.00139 -0.00919 -0.00195 -0.00101 43 3PZ 0.00258 -0.00877 -0.00647 -0.00165 0.00054 44 4XX -0.00271 -0.00319 0.00124 -0.00422 0.00004 45 4YY 0.00423 -0.00036 -0.00325 0.00009 -0.00028 46 4ZZ -0.00440 0.00316 0.00204 0.00483 0.00009 47 4XY 0.00752 0.00281 -0.00494 0.00546 0.00015 48 4XZ 0.00251 -0.00050 -0.00099 -0.00075 -0.00003 49 4YZ -0.00452 0.00448 0.00429 0.00448 0.00004 50 6 C 1S 0.00733 0.00679 -0.00348 -0.00313 -0.00011 51 2S 0.00253 -0.00921 -0.00163 0.00379 -0.00006 52 2PX 0.03114 -0.00477 0.00503 -0.02446 0.00065 53 2PY -0.00702 -0.00347 0.00786 0.01004 -0.00096 54 2PZ 0.00479 -0.00891 0.00252 -0.01980 0.00097 55 3S 0.06266 -0.01462 -0.02824 0.00444 0.00024 56 3PX 0.02598 -0.00406 0.00094 -0.01661 0.00032 57 3PY 0.03090 0.00473 -0.00213 0.00814 -0.00058 58 3PZ 0.00043 -0.00255 0.00401 -0.00988 0.00081 59 4XX -0.00160 -0.00023 0.00070 -0.00038 -0.00002 60 4YY -0.00011 -0.00026 -0.00039 -0.00001 0.00002 61 4ZZ 0.00036 0.00054 0.00004 0.00052 0.00004 62 4XY 0.00339 0.00104 0.00145 -0.00092 -0.00004 63 4XZ 0.00020 -0.00043 -0.00045 -0.00032 -0.00005 64 4YZ -0.00220 -0.00104 -0.00089 0.00068 0.00015 65 7 H 1S -0.00100 -0.00232 -0.00508 0.00373 0.00043 66 2S -0.02671 0.00082 0.00409 0.01024 0.00090 67 8 C 1S 0.01894 0.00570 0.01124 -0.00317 -0.00107 68 2S -0.05252 -0.01792 -0.01030 0.01097 0.00200 69 2PX 0.10666 0.02462 0.03863 -0.03511 -0.00238 70 2PY -0.03209 -0.00840 -0.01389 -0.00050 0.00215 71 2PZ -0.07043 -0.03456 -0.02527 0.00556 0.00510 72 3S -0.15942 -0.04711 -0.00139 0.01647 0.00300 73 3PX 0.05097 0.01254 0.02176 -0.02133 -0.00084 74 3PY 0.00617 -0.01607 -0.01805 0.00627 0.00079 75 3PZ -0.02235 -0.01326 -0.01121 -0.00107 0.00257 76 4XX 0.00107 0.00040 -0.00040 -0.00182 -0.00001 77 4YY 0.00001 -0.00149 0.00030 0.00104 -0.00010 78 4ZZ 0.00341 0.00257 0.00113 0.00008 0.00001 79 4XY 0.00298 0.00210 0.00109 -0.00052 -0.00018 80 4XZ -0.00059 -0.00183 -0.00023 0.00025 -0.00017 81 4YZ -0.00391 -0.00124 -0.00103 0.00181 0.00018 82 9 H 1S 0.03914 0.02040 0.01605 -0.01130 -0.00153 83 2S 0.07750 0.03932 0.01376 -0.01564 -0.00142 84 10 C 1S 0.02032 0.00493 -0.01843 -0.00182 -0.00233 85 2S -0.00675 0.00877 0.02641 -0.00813 0.00390 86 2PX -0.12988 -0.04524 -0.06746 0.06915 0.00529 87 2PY -0.11506 -0.06921 0.02007 0.05467 -0.00378 88 2PZ 0.08804 0.07049 0.05630 -0.00548 0.00294 89 3S -0.01842 0.01281 0.01542 -0.01307 0.00314 90 3PX 0.00181 0.00269 -0.00600 0.01217 0.00151 91 3PY 0.01046 -0.00474 0.00181 0.00735 0.00064 92 3PZ -0.01338 0.00970 0.01033 0.00958 0.00208 93 4XX 0.00509 -0.00291 -0.00006 -0.00460 0.00014 94 4YY -0.00454 -0.00123 -0.00171 0.00118 -0.00037 95 4ZZ 0.00762 0.00510 -0.00043 0.00368 0.00006 96 4XY 0.02707 0.00429 -0.00004 -0.00744 -0.00012 97 4XZ -0.00678 -0.00131 -0.00153 -0.00073 -0.00018 98 4YZ -0.02058 -0.00744 0.00022 -0.00064 0.00021 99 11 O 1S -0.00266 0.00265 0.00273 -0.00249 0.00019 100 2S 0.01453 -0.00389 -0.00852 0.00537 -0.00025 101 2PX -0.10148 -0.02362 0.07605 -0.05373 0.00033 102 2PY 0.08468 0.01690 -0.03860 0.00735 -0.00016 103 2PZ 0.09582 -0.04284 -0.07744 -0.04532 -0.00146 104 3S 0.00852 -0.00453 -0.01302 0.00174 -0.00152 105 3PX -0.07594 -0.02004 0.05447 -0.03835 0.00027 106 3PY 0.04885 0.01185 -0.02439 0.00449 -0.00042 107 3PZ 0.06623 -0.03084 -0.05459 -0.03396 -0.00127 108 4XX -0.00226 -0.00065 0.00142 -0.00059 0.00005 109 4YY 0.00434 0.00105 -0.00142 0.00060 0.00008 110 4ZZ -0.00094 -0.00015 0.00036 0.00051 0.00003 111 4XY -0.00317 -0.00079 0.00254 -0.00232 -0.00001 112 4XZ 0.00053 -0.00040 -0.00035 -0.00045 -0.00003 113 4YZ 0.00432 -0.00178 -0.00320 -0.00212 -0.00002 114 12 O 1S 0.00426 -0.00577 0.00008 0.00352 -0.00017 115 2S -0.02170 0.00512 0.00672 -0.00198 0.00020 116 2PX 0.22511 0.02071 -0.02889 -0.02783 0.00346 117 2PY 0.12408 0.06499 -0.02953 -0.05114 0.00335 118 2PZ -0.21196 -0.05072 0.03397 0.00286 0.00216 119 3S 0.00354 0.02612 -0.00875 -0.01697 -0.00027 120 3PX 0.16932 0.01694 -0.01683 -0.02692 0.00206 121 3PY 0.06862 0.03363 -0.01254 -0.02879 0.00220 122 3PZ -0.15312 -0.04066 0.01907 -0.00110 0.00112 123 4XX 0.00261 -0.00018 -0.00076 -0.00044 0.00008 124 4YY -0.00740 -0.00399 0.00271 0.00269 -0.00011 125 4ZZ 0.00038 0.00060 -0.00003 0.00037 0.00005 126 4XY -0.00496 0.00081 0.00268 -0.00104 -0.00027 127 4XZ -0.00067 -0.00006 -0.00021 -0.00016 0.00001 128 4YZ 0.00700 0.00052 -0.00316 -0.00011 -0.00018 129 13 C 1S 0.00350 0.00079 -0.00049 -0.00196 0.00014 130 2S -0.01065 -0.00045 0.00219 0.00539 -0.00020 131 2PX 0.00889 0.00491 -0.00536 0.00536 0.00015 132 2PY -0.00380 -0.00175 0.00275 -0.00222 -0.00008 133 2PZ -0.00513 0.00320 0.00697 0.00827 -0.00016 134 3S -0.00372 -0.00197 0.00023 0.00212 -0.00084 135 3PX 0.00579 0.00439 -0.00203 0.00706 0.00015 136 3PY -0.00731 -0.00706 0.00435 -0.00608 -0.00048 137 3PZ 0.00774 0.00703 -0.00018 0.00885 -0.00004 138 4XX 0.00138 -0.00037 -0.00023 -0.00126 0.00007 139 4YY 0.00021 0.00070 -0.00006 0.00078 -0.00003 140 4ZZ -0.00043 0.00002 0.00004 0.00026 0.00001 141 4XY -0.00015 0.00024 -0.00007 0.00038 0.00001 142 4XZ 0.00110 -0.00006 0.00002 -0.00067 0.00004 143 4YZ -0.00039 -0.00011 0.00018 -0.00005 0.00000 144 14 C 1S 0.00235 0.00101 -0.00114 0.00031 0.00003 145 2S -0.00036 -0.00104 -0.00120 -0.00025 -0.00007 146 2PX 0.00959 -0.00379 0.00431 -0.01109 0.00049 147 2PY -0.00022 -0.00009 0.00097 -0.00002 -0.00018 148 2PZ 0.01315 -0.00444 -0.00213 -0.01198 0.00068 149 3S -0.00490 -0.00389 -0.00176 -0.00420 0.00024 150 3PX 0.01094 -0.00329 0.00235 -0.00961 0.00020 151 3PY -0.00656 -0.00066 0.00114 0.00144 -0.00001 152 3PZ 0.00979 -0.00472 -0.00027 -0.01238 0.00047 153 4XX 0.00002 -0.00005 -0.00001 -0.00015 0.00000 154 4YY -0.00024 0.00001 0.00003 0.00019 0.00000 155 4ZZ 0.00004 0.00028 0.00012 0.00044 0.00000 156 4XY 0.00010 -0.00032 -0.00027 -0.00048 0.00002 157 4XZ 0.00042 -0.00010 0.00001 -0.00034 0.00001 158 4YZ -0.00047 -0.00031 0.00026 -0.00040 0.00003 159 15 C 1S -0.00077 -0.00039 0.00196 0.00037 -0.00005 160 2S -0.00601 -0.00175 -0.00013 0.00155 0.00016 161 2PX 0.00516 -0.00501 -0.00208 -0.01054 0.00047 162 2PY -0.00424 -0.00098 -0.00049 0.00087 0.00028 163 2PZ -0.00737 -0.00791 0.00343 -0.01019 0.00085 164 3S -0.00406 -0.00039 0.00021 0.00247 0.00068 165 3PX 0.00040 -0.00667 -0.00070 -0.00963 0.00027 166 3PY -0.01023 -0.00394 0.00011 0.00042 0.00026 167 3PZ -0.00331 -0.00608 0.00140 -0.00833 0.00083 168 4XX 0.00038 0.00002 0.00001 -0.00010 0.00000 169 4YY -0.00028 -0.00019 -0.00023 0.00007 -0.00001 170 4ZZ -0.00003 0.00035 -0.00022 0.00040 0.00000 171 4XY -0.00007 0.00035 -0.00024 0.00056 -0.00002 172 4XZ 0.00045 -0.00014 0.00033 -0.00048 -0.00001 173 4YZ -0.00098 0.00000 0.00016 0.00045 -0.00003 174 16 C 1S -0.00447 -0.00235 0.00081 0.00076 0.00030 175 2S 0.00919 0.00619 -0.00505 0.00007 -0.00043 176 2PX -0.01942 -0.00102 0.00496 0.00685 0.00017 177 2PY -0.01023 -0.00539 0.00090 -0.00242 -0.00032 178 2PZ 0.00946 0.00873 -0.00687 0.00323 -0.00061 179 3S -0.00443 -0.00569 -0.00604 -0.00252 -0.00130 180 3PX -0.00564 0.00246 0.00383 0.00271 -0.00026 181 3PY -0.01143 0.00230 0.00252 0.00462 0.00012 182 3PZ -0.01310 0.00385 -0.00153 0.01044 -0.00009 183 4XX -0.00132 -0.00083 0.00031 -0.00051 0.00015 184 4YY 0.00003 0.00039 -0.00001 0.00028 -0.00009 185 4ZZ 0.00102 0.00054 0.00036 0.00007 -0.00002 186 4XY 0.00021 -0.00020 -0.00009 -0.00034 -0.00001 187 4XZ 0.00001 -0.00025 0.00028 -0.00036 0.00006 188 4YZ -0.00040 -0.00019 0.00028 -0.00009 -0.00001 189 17 H 1S -0.00299 0.00189 0.00084 0.00493 -0.00015 190 2S -0.00961 -0.00439 0.00536 -0.00323 -0.00031 191 18 H 1S -0.00274 -0.00009 0.00233 0.00060 -0.00001 192 2S -0.00574 0.00016 0.00304 0.00173 0.00006 193 19 H 1S 0.00228 0.00089 -0.00293 0.00119 0.00004 194 2S 0.00784 0.00374 -0.00288 0.00127 -0.00001 195 20 H 1S 0.00124 0.00107 -0.00224 -0.00083 -0.00057 196 2S 0.01887 0.00201 -0.00173 -0.00774 -0.00029 197 21 C 1S -0.00191 0.00065 0.00014 0.00231 0.00024 198 2S 0.00073 -0.00189 -0.00079 -0.00360 -0.00043 199 2PX 0.00079 0.01174 0.00151 0.01659 -0.00012 200 2PY 0.02610 0.00880 -0.01165 -0.00292 -0.00018 201 2PZ -0.00655 -0.00917 0.00024 -0.00540 0.00039 202 3S 0.00420 -0.00973 0.00043 -0.01956 -0.00025 203 3PX 0.00147 0.01386 0.00061 0.01588 0.00028 204 3PY 0.02265 0.00735 -0.00594 -0.00321 -0.00017 205 3PZ -0.00448 -0.01471 -0.00041 -0.01547 -0.00042 206 4XX -0.00036 -0.00043 -0.00008 -0.00051 0.00003 207 4YY 0.00017 0.00075 -0.00003 0.00066 -0.00005 208 4ZZ -0.00021 -0.00036 -0.00003 -0.00030 0.00001 209 4XY 0.00018 0.00011 -0.00014 -0.00011 -0.00002 210 4XZ 0.00010 0.00006 0.00007 0.00020 0.00003 211 4YZ -0.00128 -0.00044 0.00043 0.00011 0.00000 212 22 H 1S 0.00064 -0.00247 -0.00079 -0.00440 0.00013 213 2S 0.00089 0.02049 0.00057 0.02527 0.00076 214 23 H 1S -0.00223 -0.00174 0.00051 0.00094 0.00013 215 2S -0.00044 -0.00079 0.00088 0.00184 0.00048 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00008 0.00068 13 4XY 0.00002 0.00007 0.00134 14 4XZ 0.00032 0.00002 0.00018 0.00063 15 4YZ -0.00002 -0.00006 -0.00052 -0.00015 0.00105 16 2 H 1S -0.00271 -0.00090 -0.01118 -0.00781 0.00850 17 2S -0.00247 0.00118 -0.00994 -0.00490 0.00750 18 3 C 1S -0.00578 0.00263 -0.00006 -0.00085 0.00009 19 2S 0.01027 -0.00570 -0.00005 0.00197 0.00004 20 2PX 0.00025 -0.00138 -0.01407 0.00036 0.00051 21 2PY 0.00542 -0.00909 -0.00156 0.00292 0.00080 22 2PZ -0.00018 -0.00095 0.00061 0.00076 -0.01379 23 3S 0.01095 -0.00364 0.00032 0.00387 -0.00040 24 3PX -0.00008 -0.00045 -0.00685 0.00013 -0.00166 25 3PY 0.00236 -0.00206 0.00018 0.00167 -0.00009 26 3PZ 0.00016 -0.00062 -0.00177 0.00050 -0.00797 27 4XX -0.00024 0.00031 0.00003 -0.00005 -0.00016 28 4YY 0.00006 -0.00033 -0.00001 -0.00016 0.00000 29 4ZZ -0.00033 0.00035 0.00009 -0.00006 0.00007 30 4XY 0.00001 -0.00009 0.00076 0.00013 -0.00092 31 4XZ -0.00016 -0.00006 -0.00013 0.00004 0.00002 32 4YZ 0.00000 -0.00007 -0.00092 -0.00002 0.00020 33 4 H 1S 0.00158 0.00107 0.00802 -0.00008 -0.00576 34 2S -0.00105 0.00170 0.00787 -0.00056 -0.00558 35 5 C 1S -0.00041 -0.00024 0.00179 0.00004 -0.00137 36 2S 0.00092 0.00078 -0.00367 -0.00022 0.00282 37 2PX -0.00184 -0.00065 0.00464 0.00052 -0.00598 38 2PY 0.00210 -0.00005 -0.00434 -0.00063 0.00382 39 2PZ 0.00158 0.00000 -0.00604 -0.00038 0.00123 40 3S 0.00034 0.00121 -0.00524 -0.00079 0.00403 41 3PX -0.00006 -0.00041 0.00055 0.00048 -0.00136 42 3PY 0.00053 -0.00054 -0.00219 0.00002 0.00178 43 3PZ 0.00015 0.00001 -0.00154 -0.00032 -0.00012 44 4XX 0.00008 0.00001 0.00038 -0.00003 0.00014 45 4YY 0.00007 -0.00017 0.00005 0.00012 -0.00007 46 4ZZ 0.00001 0.00002 -0.00016 -0.00002 -0.00031 47 4XY -0.00024 0.00000 0.00034 0.00000 -0.00059 48 4XZ -0.00013 -0.00002 0.00006 0.00002 0.00004 49 4YZ 0.00019 -0.00014 -0.00051 0.00009 -0.00001 50 6 C 1S 0.00010 -0.00011 -0.00050 -0.00023 0.00034 51 2S -0.00001 -0.00011 0.00116 0.00038 -0.00083 52 2PX 0.00081 -0.00124 -0.00098 0.00080 0.00133 53 2PY 0.00079 0.00014 -0.00208 0.00036 0.00110 54 2PZ -0.00006 -0.00087 0.00181 0.00022 -0.00089 55 3S -0.00033 -0.00068 0.00505 0.00070 -0.00271 56 3PX 0.00053 -0.00070 -0.00147 0.00038 0.00134 57 3PY 0.00034 0.00004 -0.00126 0.00025 0.00079 58 3PZ 0.00001 -0.00058 0.00146 0.00022 -0.00089 59 4XX 0.00001 0.00007 -0.00005 -0.00006 0.00015 60 4YY -0.00003 0.00001 0.00004 0.00000 -0.00003 61 4ZZ 0.00003 -0.00002 -0.00014 0.00001 -0.00003 62 4XY 0.00005 -0.00012 0.00018 0.00013 -0.00008 63 4XZ -0.00001 0.00003 0.00012 0.00000 -0.00003 64 4YZ -0.00001 -0.00006 -0.00007 -0.00001 0.00012 65 7 H 1S -0.00004 0.00002 -0.00076 -0.00007 0.00055 66 2S 0.00003 0.00018 -0.00236 -0.00037 0.00122 67 8 C 1S 0.00030 -0.00042 0.00061 0.00054 -0.00064 68 2S -0.00038 0.00072 -0.00121 -0.00098 0.00115 69 2PX 0.00286 -0.00402 0.00264 0.00430 -0.00031 70 2PY -0.00048 0.00043 -0.00036 -0.00101 0.00090 71 2PZ -0.00135 -0.00092 -0.00049 -0.00141 0.00230 72 3S 0.00011 0.00111 -0.00500 -0.00070 0.00376 73 3PX 0.00158 -0.00240 0.00289 0.00204 -0.00100 74 3PY 0.00040 -0.00015 -0.00040 0.00003 0.00114 75 3PZ -0.00086 -0.00069 -0.00130 -0.00039 0.00144 76 4XX -0.00016 0.00016 0.00015 -0.00021 -0.00015 77 4YY 0.00016 -0.00002 -0.00004 0.00014 0.00006 78 4ZZ 0.00005 -0.00016 0.00016 0.00010 -0.00011 79 4XY 0.00002 -0.00010 0.00010 0.00012 -0.00004 80 4XZ 0.00012 0.00001 -0.00014 0.00015 0.00009 81 4YZ -0.00004 0.00003 -0.00004 -0.00010 0.00012 82 9 H 1S 0.00084 -0.00049 0.00105 0.00104 -0.00096 83 2S -0.00035 -0.00060 0.00164 0.00060 -0.00200 84 10 C 1S 0.00018 -0.00119 -0.00425 0.00326 0.00335 85 2S -0.00194 0.00138 0.00820 -0.00649 -0.00643 86 2PX 0.00090 -0.00089 -0.00617 0.00256 0.00737 87 2PY 0.00945 -0.00046 -0.00135 0.00683 0.00084 88 2PZ -0.00071 -0.00620 0.00744 -0.00006 -0.00206 89 3S -0.00254 0.00151 0.00848 -0.00436 -0.00592 90 3PX 0.00033 -0.00160 -0.00044 0.00077 0.00210 91 3PY -0.00059 0.00032 -0.00317 0.00068 0.00219 92 3PZ 0.00048 -0.00256 0.00283 0.00074 0.00040 93 4XX -0.00032 -0.00003 -0.00027 -0.00022 0.00058 94 4YY 0.00057 -0.00014 0.00007 0.00046 -0.00001 95 4ZZ -0.00031 -0.00002 -0.00058 -0.00004 0.00000 96 4XY -0.00030 -0.00034 0.00058 -0.00015 0.00025 97 4XZ 0.00023 0.00007 0.00005 0.00041 -0.00002 98 4YZ 0.00019 0.00005 0.00015 0.00013 0.00063 99 11 O 1S 0.00023 0.00014 0.00004 -0.00010 0.00004 100 2S -0.00033 -0.00014 0.00010 0.00030 -0.00032 101 2PX -0.00031 0.00138 -0.00192 -0.00032 0.00296 102 2PY -0.00095 0.00003 0.00149 0.00070 -0.00169 103 2PZ 0.00010 -0.00022 0.00269 -0.00031 -0.00014 104 3S 0.00031 -0.00118 -0.00085 0.00046 0.00040 105 3PX -0.00010 0.00108 -0.00171 -0.00037 0.00275 106 3PY -0.00038 -0.00029 0.00072 0.00049 -0.00100 107 3PZ 0.00001 -0.00015 0.00243 -0.00017 -0.00002 108 4XX -0.00001 0.00005 0.00008 -0.00002 -0.00001 109 4YY -0.00007 0.00007 0.00005 0.00002 -0.00004 110 4ZZ 0.00000 0.00003 0.00001 -0.00001 -0.00005 111 4XY -0.00006 0.00003 0.00005 0.00000 -0.00004 112 4XZ 0.00001 -0.00002 -0.00002 0.00001 0.00002 113 4YZ 0.00003 0.00001 -0.00004 -0.00003 0.00002 114 12 O 1S -0.00116 -0.00023 -0.00032 -0.00005 0.00036 115 2S 0.00225 0.00064 0.00043 0.00055 -0.00069 116 2PX -0.00335 -0.00240 0.00346 0.00003 0.00619 117 2PY -0.00816 -0.00087 -0.00351 -0.00276 0.00512 118 2PZ 0.00486 -0.00470 0.00642 0.00256 0.00479 119 3S 0.00149 -0.00050 -0.00011 0.00060 0.00032 120 3PX -0.00264 -0.00152 0.00287 -0.00031 0.00400 121 3PY -0.00461 -0.00018 -0.00172 -0.00174 0.00281 122 3PZ 0.00336 -0.00276 0.00397 0.00173 0.00364 123 4XX -0.00015 0.00000 -0.00013 0.00000 0.00020 124 4YY 0.00038 0.00017 0.00033 0.00000 -0.00046 125 4ZZ -0.00009 -0.00002 -0.00009 0.00002 0.00008 126 4XY 0.00005 0.00014 -0.00002 -0.00008 -0.00043 127 4XZ 0.00005 -0.00005 0.00008 0.00005 0.00003 128 4YZ -0.00021 0.00036 -0.00050 -0.00012 -0.00014 129 13 C 1S 0.00001 -0.00011 -0.00005 0.00009 0.00002 130 2S -0.00010 0.00030 -0.00012 -0.00022 -0.00001 131 2PX 0.00003 -0.00059 0.00002 0.00062 -0.00022 132 2PY -0.00005 0.00033 -0.00017 -0.00036 -0.00010 133 2PZ 0.00018 -0.00027 0.00001 0.00013 -0.00034 134 3S 0.00011 0.00037 0.00067 -0.00030 0.00006 135 3PX 0.00016 -0.00060 -0.00013 0.00055 -0.00011 136 3PY 0.00025 0.00024 0.00014 -0.00014 0.00034 137 3PZ -0.00006 -0.00030 0.00010 0.00019 -0.00082 138 4XX -0.00001 -0.00007 0.00004 0.00007 0.00001 139 4YY 0.00000 0.00001 -0.00002 -0.00002 -0.00001 140 4ZZ 0.00000 0.00002 -0.00004 -0.00003 0.00001 141 4XY 0.00001 0.00000 -0.00001 -0.00001 -0.00001 142 4XZ 0.00003 -0.00005 0.00004 0.00001 -0.00002 143 4YZ 0.00000 0.00001 0.00000 -0.00002 -0.00001 144 14 C 1S 0.00009 -0.00002 -0.00001 -0.00004 0.00004 145 2S -0.00008 0.00004 0.00002 0.00012 -0.00005 146 2PX 0.00028 -0.00080 0.00065 0.00058 0.00012 147 2PY 0.00001 0.00013 -0.00003 -0.00011 -0.00010 148 2PZ 0.00006 -0.00097 0.00071 0.00103 0.00028 149 3S -0.00038 0.00034 -0.00003 -0.00005 -0.00027 150 3PX 0.00032 -0.00079 0.00069 0.00065 0.00023 151 3PY -0.00003 0.00026 -0.00026 -0.00024 0.00001 152 3PZ -0.00002 -0.00057 0.00057 0.00062 0.00009 153 4XX 0.00000 0.00001 0.00000 -0.00002 0.00001 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00001 -0.00002 -0.00001 0.00000 -0.00002 156 4XY 0.00000 -0.00002 0.00000 0.00002 0.00003 157 4XZ 0.00001 -0.00002 0.00000 0.00002 0.00002 158 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00003 159 15 C 1S 0.00008 0.00001 -0.00001 0.00006 -0.00005 160 2S -0.00018 0.00016 -0.00003 -0.00011 0.00006 161 2PX 0.00025 -0.00037 0.00005 0.00031 0.00056 162 2PY -0.00007 -0.00001 -0.00006 -0.00005 0.00019 163 2PZ -0.00002 -0.00015 0.00010 0.00029 0.00072 164 3S 0.00001 -0.00065 0.00022 0.00053 0.00052 165 3PX 0.00010 -0.00001 0.00001 0.00003 0.00047 166 3PY -0.00005 0.00014 -0.00012 -0.00010 0.00026 167 3PZ 0.00006 -0.00044 0.00020 0.00039 0.00087 168 4XX 0.00001 -0.00004 0.00001 0.00003 0.00000 169 4YY -0.00001 0.00002 -0.00001 -0.00001 -0.00001 170 4ZZ 0.00000 0.00002 -0.00003 -0.00003 -0.00001 171 4XY -0.00001 0.00003 -0.00003 -0.00004 -0.00001 172 4XZ 0.00001 -0.00002 0.00003 0.00003 -0.00001 173 4YZ -0.00001 0.00006 -0.00004 -0.00004 0.00000 174 16 C 1S 0.00003 0.00013 0.00006 0.00001 0.00016 175 2S -0.00001 0.00002 -0.00019 -0.00006 -0.00035 176 2PX -0.00026 0.00094 -0.00049 -0.00062 0.00001 177 2PY 0.00002 0.00044 -0.00025 0.00003 -0.00020 178 2PZ 0.00000 0.00072 -0.00062 -0.00056 -0.00030 179 3S 0.00049 0.00076 -0.00035 -0.00023 -0.00044 180 3PX -0.00024 0.00086 -0.00049 -0.00057 -0.00051 181 3PY 0.00010 -0.00005 -0.00044 0.00023 -0.00055 182 3PZ 0.00022 0.00045 -0.00083 -0.00025 -0.00027 183 4XX -0.00002 -0.00007 0.00004 0.00003 0.00008 184 4YY 0.00000 0.00006 -0.00004 -0.00004 -0.00006 185 4ZZ 0.00001 -0.00004 0.00003 0.00002 -0.00004 186 4XY 0.00000 -0.00001 0.00001 0.00003 0.00002 187 4XZ 0.00005 -0.00007 0.00001 0.00003 0.00004 188 4YZ 0.00000 0.00001 0.00000 0.00001 -0.00002 189 17 H 1S 0.00003 -0.00001 0.00000 0.00004 0.00001 190 2S 0.00018 0.00007 -0.00024 0.00000 0.00063 191 18 H 1S 0.00003 0.00008 -0.00002 -0.00014 -0.00006 192 2S -0.00001 0.00020 -0.00019 -0.00029 -0.00004 193 19 H 1S 0.00000 -0.00006 -0.00007 -0.00005 0.00004 194 2S 0.00005 -0.00019 0.00002 0.00003 -0.00007 195 20 H 1S 0.00002 0.00038 -0.00026 -0.00011 -0.00036 196 2S -0.00041 0.00020 0.00044 -0.00032 0.00047 197 21 C 1S 0.00027 0.00012 -0.00007 -0.00007 -0.00013 198 2S -0.00037 0.00021 0.00012 0.00010 0.00024 199 2PX 0.00102 -0.00019 -0.00039 -0.00127 -0.00088 200 2PY 0.00001 -0.00026 0.00009 0.00015 -0.00014 201 2PZ -0.00003 -0.00027 0.00035 0.00038 0.00040 202 3S -0.00058 0.00029 0.00066 -0.00007 0.00126 203 3PX 0.00037 -0.00035 -0.00056 -0.00049 -0.00084 204 3PY -0.00021 -0.00020 0.00042 0.00004 -0.00031 205 3PZ 0.00000 0.00033 0.00083 -0.00020 0.00109 206 4XX -0.00004 -0.00001 0.00002 0.00006 0.00003 207 4YY 0.00002 0.00003 -0.00003 -0.00004 -0.00004 208 4ZZ 0.00002 -0.00002 0.00003 -0.00002 0.00001 209 4XY 0.00000 0.00004 -0.00003 -0.00002 0.00001 210 4XZ 0.00006 -0.00006 0.00001 -0.00004 -0.00002 211 4YZ 0.00000 0.00004 -0.00002 -0.00003 0.00001 212 22 H 1S -0.00075 -0.00005 -0.00005 0.00091 0.00021 213 2S -0.00066 -0.00041 -0.00139 0.00102 -0.00159 214 23 H 1S 0.00029 -0.00029 0.00014 -0.00023 -0.00002 215 2S 0.00042 -0.00061 0.00004 0.00003 -0.00026 16 17 18 19 20 16 2 H 1S 0.21460 17 2S 0.15568 0.13803 18 3 C 1S 0.01313 0.01514 2.05488 19 2S -0.02727 -0.02757 -0.06574 0.33152 20 2PX 0.01364 0.03304 0.00144 -0.00055 0.38170 21 2PY -0.04218 -0.07027 0.00125 -0.00083 0.00498 22 2PZ -0.01246 -0.02575 -0.00041 -0.00136 -0.05073 23 3S -0.04955 -0.02141 -0.19989 0.32136 0.04481 24 3PX 0.00688 0.01551 -0.00666 0.00062 0.18111 25 3PY -0.01692 -0.01493 -0.00006 -0.00777 -0.00920 26 3PZ -0.00639 -0.01092 0.00308 0.00234 0.02286 27 4XX 0.00097 0.00181 -0.01656 -0.00528 0.00036 28 4YY 0.00158 -0.00105 -0.01817 -0.00063 -0.00174 29 4ZZ 0.00107 0.00170 -0.01420 -0.01001 -0.00184 30 4XY -0.00802 -0.00787 -0.00169 0.00321 -0.00846 31 4XZ -0.00008 -0.00056 0.00448 -0.00901 0.00226 32 4YZ 0.00576 0.00558 0.00124 -0.00242 0.01509 33 4 H 1S -0.02309 -0.02565 -0.06142 0.11783 -0.18292 34 2S -0.02565 -0.03016 -0.01091 0.02323 -0.15807 35 5 C 1S -0.00877 -0.01160 0.01366 -0.02877 -0.04921 36 2S 0.01999 0.02373 -0.02700 0.04998 0.10326 37 2PX -0.02590 -0.04198 0.04817 -0.09787 -0.11265 38 2PY 0.02210 0.03318 -0.03450 0.06311 0.11026 39 2PZ 0.02038 0.03423 -0.03791 0.07828 0.15541 40 3S 0.04606 0.04563 0.00313 0.01924 0.09754 41 3PX -0.01497 -0.01735 -0.00377 -0.00032 0.00640 42 3PY 0.00466 0.00638 -0.00176 0.01530 0.04173 43 3PZ 0.01105 0.01354 0.00194 0.00318 0.02863 44 4XX 0.00002 -0.00011 -0.00219 0.00274 -0.00886 45 4YY -0.00227 -0.00287 0.00072 -0.00218 -0.00119 46 4ZZ 0.00050 0.00097 -0.00143 0.00156 0.00320 47 4XY -0.00084 -0.00294 0.00646 -0.01269 -0.00921 48 4XZ -0.00031 -0.00078 0.00363 -0.00648 -0.00193 49 4YZ 0.00019 0.00120 -0.00457 0.00887 0.01243 50 6 C 1S 0.00094 0.00686 -0.00564 0.01231 0.01708 51 2S -0.00128 -0.01143 0.01174 -0.02527 -0.03726 52 2PX -0.00183 0.00042 -0.01769 0.04103 0.03871 53 2PY 0.00861 0.00560 -0.00621 0.01336 0.02442 54 2PZ -0.00421 -0.01314 0.01187 -0.02701 -0.04430 55 3S -0.00950 -0.04183 0.02646 -0.06299 -0.11911 56 3PX 0.00310 0.00360 -0.01054 0.02630 0.03617 57 3PY 0.00480 -0.00421 -0.00462 0.00455 0.03164 58 3PZ -0.00616 -0.01103 0.00505 -0.01302 -0.02778 59 4XX 0.00053 0.00103 -0.00059 0.00106 0.00199 60 4YY -0.00008 -0.00008 0.00030 -0.00038 -0.00232 61 4ZZ 0.00031 0.00073 -0.00074 0.00162 0.00429 62 4XY -0.00079 -0.00237 0.00059 -0.00117 -0.00248 63 4XZ -0.00024 -0.00041 0.00048 -0.00101 -0.00402 64 4YZ 0.00051 0.00136 -0.00058 0.00132 0.00076 65 7 H 1S 0.00187 0.00771 -0.00639 0.01466 0.02292 66 2S 0.00819 0.02121 -0.01322 0.02771 0.05698 67 8 C 1S -0.00676 -0.01486 -0.00069 0.00021 0.00316 68 2S 0.01375 0.02719 0.00077 -0.00157 -0.00830 69 2PX -0.02259 -0.05707 -0.00555 0.01296 -0.00042 70 2PY 0.00859 0.02511 -0.00244 0.00579 0.00711 71 2PZ 0.01593 0.03574 -0.00019 0.00136 -0.01691 72 3S 0.04551 0.08774 0.00004 0.01046 -0.00512 73 3PX -0.02318 -0.04329 -0.00538 0.00990 -0.00748 74 3PY 0.01279 0.00934 -0.00049 -0.00257 -0.00906 75 3PZ 0.01315 0.02387 0.00148 0.00006 -0.00139 76 4XX -0.00100 -0.00053 0.00016 -0.00054 -0.00081 77 4YY 0.00075 -0.00060 0.00001 0.00000 -0.00061 78 4ZZ -0.00123 -0.00192 -0.00020 0.00010 0.00098 79 4XY -0.00115 -0.00186 0.00050 -0.00124 -0.00124 80 4XZ 0.00098 0.00042 -0.00016 0.00029 -0.00104 81 4YZ 0.00096 0.00187 -0.00027 0.00073 0.00102 82 9 H 1S -0.01126 -0.02021 0.00027 -0.00066 0.00287 83 2S -0.01955 -0.03230 0.00433 -0.00900 0.00426 84 10 C 1S 0.01124 0.02036 -0.00347 0.00792 0.00474 85 2S -0.02469 -0.03633 0.00930 -0.01915 -0.00996 86 2PX 0.03847 0.07441 -0.00841 0.02042 0.02132 87 2PY 0.01482 -0.00999 -0.01017 0.02553 0.01214 88 2PZ -0.02902 -0.05440 0.00640 -0.01564 0.00272 89 3S -0.04010 -0.04371 0.00123 -0.01520 -0.04435 90 3PX 0.00238 0.00219 -0.00315 0.00891 0.02188 91 3PY 0.03175 0.03071 0.00832 -0.01165 0.00829 92 3PZ -0.00723 -0.00844 0.00020 -0.00323 -0.01384 93 4XX 0.00562 0.00557 0.00049 -0.00100 -0.00461 94 4YY -0.00409 -0.00358 -0.00171 0.00375 0.00081 95 4ZZ 0.00333 0.00300 0.00078 -0.00153 0.00473 96 4XY -0.00171 -0.00728 0.00007 -0.00020 -0.00396 97 4XZ -0.00408 -0.00228 -0.00051 0.00119 -0.00077 98 4YZ 0.00140 0.00557 0.00016 -0.00034 -0.00613 99 11 O 1S 0.00163 0.00255 -0.00270 0.00604 0.00179 100 2S -0.00307 -0.00556 0.00753 -0.01592 -0.00820 101 2PX 0.01278 0.02786 -0.02529 0.05228 0.03851 102 2PY -0.01251 -0.02161 0.01467 -0.02539 -0.03088 103 2PZ -0.00860 -0.01565 0.02057 -0.03877 -0.04693 104 3S -0.01181 -0.00992 0.00159 -0.00253 0.01529 105 3PX 0.01307 0.02501 -0.02071 0.04400 0.03190 106 3PY -0.01111 -0.01538 0.00710 -0.01222 -0.01194 107 3PZ -0.00911 -0.01457 0.01624 -0.03181 -0.04437 108 4XX 0.00044 0.00038 0.00015 -0.00036 -0.00208 109 4YY 0.00016 -0.00034 0.00062 -0.00111 -0.00067 110 4ZZ 0.00046 0.00036 0.00015 -0.00053 -0.00038 111 4XY -0.00019 -0.00004 0.00019 -0.00020 -0.00159 112 4XZ -0.00007 -0.00011 0.00002 -0.00024 0.00033 113 4YZ 0.00015 0.00025 0.00003 0.00016 0.00215 114 12 O 1S 0.00337 -0.00418 0.00122 -0.00293 -0.00147 115 2S -0.00650 0.00679 -0.00272 0.00603 0.00279 116 2PX 0.01146 -0.04155 0.00834 -0.01540 -0.03668 117 2PY 0.01588 0.05049 0.00778 -0.01970 -0.01373 118 2PZ -0.01504 0.01745 -0.00733 0.01343 -0.04981 119 3S -0.02321 0.00404 -0.00776 0.01737 0.01030 120 3PX 0.00651 -0.03275 0.00647 -0.01288 -0.03235 121 3PY 0.01368 0.03116 0.00565 -0.01460 -0.01313 122 3PZ -0.00974 0.01584 -0.00521 0.01054 -0.03536 123 4XX 0.00169 0.00147 0.00021 -0.00083 -0.00111 124 4YY -0.00065 -0.00314 0.00009 -0.00009 0.00027 125 4ZZ 0.00085 0.00111 0.00014 -0.00068 -0.00025 126 4XY -0.00149 -0.00001 0.00006 -0.00017 0.00107 127 4XZ -0.00078 -0.00059 -0.00021 0.00042 -0.00046 128 4YZ 0.00147 0.00098 -0.00003 -0.00001 0.00203 129 13 C 1S -0.00010 -0.00006 0.00011 0.00061 0.00046 130 2S 0.00050 0.00073 -0.00011 -0.00051 0.00204 131 2PX -0.00128 -0.00297 0.00092 -0.00056 0.00238 132 2PY 0.00069 0.00146 -0.00064 0.00066 0.00368 133 2PZ -0.00120 -0.00545 -0.00015 -0.00003 0.00493 134 3S -0.00134 -0.00305 0.00069 -0.00457 -0.01399 135 3PX -0.00040 -0.00268 -0.00062 0.00229 0.00442 136 3PY 0.00146 0.00138 -0.00193 0.00310 -0.00482 137 3PZ -0.00242 -0.00654 0.00238 -0.00537 0.00157 138 4XX -0.00021 -0.00043 0.00020 -0.00027 -0.00078 139 4YY 0.00005 0.00007 -0.00003 0.00013 0.00054 140 4ZZ 0.00015 0.00040 -0.00012 0.00044 0.00095 141 4XY 0.00003 0.00009 -0.00007 0.00018 0.00054 142 4XZ -0.00023 -0.00049 -0.00001 0.00017 -0.00030 143 4YZ 0.00002 0.00000 -0.00007 -0.00004 0.00000 144 14 C 1S 0.00007 0.00002 -0.00022 0.00090 0.00081 145 2S 0.00008 0.00040 0.00087 -0.00200 -0.00221 146 2PX -0.00307 -0.00818 0.00002 0.00026 -0.00952 147 2PY 0.00006 0.00090 -0.00019 0.00009 0.00058 148 2PZ -0.00332 -0.00690 0.00072 -0.00099 -0.01146 149 3S -0.00093 0.00148 0.00136 -0.00394 -0.00213 150 3PX -0.00268 -0.00745 0.00006 0.00051 -0.01063 151 3PY 0.00070 0.00262 -0.00128 0.00240 0.00445 152 3PZ -0.00307 -0.00580 0.00070 -0.00125 -0.00981 153 4XX 0.00003 0.00008 0.00000 0.00005 -0.00002 154 4YY 0.00004 0.00005 0.00010 -0.00016 -0.00022 155 4ZZ -0.00004 -0.00023 0.00001 0.00004 0.00040 156 4XY 0.00005 0.00015 -0.00006 0.00013 -0.00026 157 4XZ -0.00001 0.00000 -0.00010 0.00026 0.00005 158 4YZ 0.00011 0.00021 -0.00010 0.00016 0.00010 159 15 C 1S -0.00042 -0.00134 -0.00025 0.00070 0.00081 160 2S 0.00085 0.00231 0.00052 -0.00164 -0.00162 161 2PX 0.00067 0.00091 -0.00182 0.00454 -0.00206 162 2PY 0.00069 0.00085 -0.00013 0.00032 0.00050 163 2PZ 0.00119 0.00263 -0.00096 0.00135 -0.00340 164 3S 0.00143 0.00218 0.00186 -0.00303 -0.00313 165 3PX 0.00074 0.00146 -0.00202 0.00387 -0.00306 166 3PY 0.00125 0.00314 -0.00071 0.00115 0.00033 167 3PZ 0.00130 0.00231 -0.00106 0.00188 -0.00408 168 4XX -0.00010 -0.00025 0.00001 0.00011 -0.00023 169 4YY 0.00005 0.00014 0.00003 -0.00009 -0.00010 170 4ZZ 0.00006 0.00017 -0.00009 0.00020 0.00065 171 4XY 0.00017 0.00035 -0.00002 0.00010 0.00063 172 4XZ -0.00021 -0.00043 -0.00003 0.00005 -0.00025 173 4YZ 0.00019 0.00043 -0.00003 0.00000 0.00049 174 16 C 1S 0.00024 -0.00025 0.00004 -0.00036 -0.00020 175 2S -0.00040 0.00095 0.00024 0.00026 0.00217 176 2PX 0.00237 0.00527 -0.00001 -0.00137 0.00908 177 2PY -0.00035 0.00077 -0.00017 -0.00040 0.00102 178 2PZ 0.00135 0.00440 -0.00100 0.00290 0.01207 179 3S 0.00006 0.00211 -0.00218 0.00447 -0.00184 180 3PX 0.00064 0.00180 -0.00017 -0.00121 0.00786 181 3PY -0.00098 0.00112 0.00066 0.00005 0.00997 182 3PZ 0.00285 0.00736 -0.00121 0.00342 0.01491 183 4XX 0.00013 0.00030 -0.00005 -0.00002 -0.00056 184 4YY -0.00004 0.00003 -0.00004 0.00005 0.00072 185 4ZZ -0.00028 -0.00060 0.00010 -0.00009 0.00008 186 4XY -0.00003 -0.00005 -0.00002 -0.00001 -0.00046 187 4XZ 0.00004 -0.00008 -0.00021 0.00051 0.00013 188 4YZ -0.00009 -0.00011 0.00002 -0.00007 -0.00001 189 17 H 1S 0.00005 -0.00057 -0.00005 0.00007 0.00053 190 2S 0.00270 0.00357 -0.00331 0.00733 0.00383 191 18 H 1S 0.00015 -0.00053 0.00012 -0.00041 0.00023 192 2S 0.00077 0.00101 -0.00062 0.00102 0.00403 193 19 H 1S 0.00056 0.00078 -0.00015 0.00078 0.00061 194 2S -0.00035 -0.00121 0.00002 0.00067 0.00135 195 20 H 1S -0.00041 0.00049 -0.00019 0.00024 0.00308 196 2S -0.00048 -0.00307 0.00037 -0.00188 -0.00683 197 21 C 1S -0.00019 -0.00044 -0.00029 0.00200 0.00382 198 2S 0.00030 0.00096 0.00123 -0.00368 -0.00704 199 2PX 0.00036 -0.00188 -0.00319 0.01103 0.02346 200 2PY -0.00094 -0.00002 0.00075 0.00059 -0.00150 201 2PZ -0.00011 -0.00018 0.00121 -0.00203 -0.00943 202 3S 0.00082 0.00144 -0.00147 -0.00199 -0.01835 203 3PX -0.00106 -0.00127 -0.00001 0.00542 0.02448 204 3PY -0.00244 -0.00409 0.00188 -0.00415 -0.00623 205 3PZ 0.00050 0.00094 -0.00148 0.00014 -0.01985 206 4XX -0.00015 0.00002 0.00017 -0.00047 -0.00052 207 4YY -0.00008 -0.00005 0.00008 0.00027 0.00110 208 4ZZ -0.00008 -0.00006 0.00019 0.00009 -0.00040 209 4XY 0.00013 0.00030 -0.00005 0.00009 0.00034 210 4XZ -0.00010 -0.00027 -0.00025 0.00064 0.00056 211 4YZ 0.00009 0.00015 -0.00002 0.00002 0.00023 212 22 H 1S -0.00051 0.00086 0.00098 -0.00631 -0.00688 213 2S -0.00080 0.00062 0.00536 -0.00675 0.02812 214 23 H 1S -0.00003 -0.00088 -0.00031 0.00232 0.00056 215 2S -0.00053 -0.00214 -0.00015 0.00254 0.00190 21 22 23 24 25 21 2PY 0.44170 22 2PZ -0.00246 0.35287 23 3S -0.08109 -0.03012 0.46783 24 3PX -0.01416 0.02128 0.04109 0.10016 25 3PY 0.11831 0.00422 0.01287 -0.00446 0.06109 26 3PZ 0.00793 0.19447 -0.01934 0.03213 0.00221 27 4XX -0.01190 0.00350 -0.00228 0.00088 -0.00229 28 4YY 0.01162 0.00145 -0.00436 -0.00159 0.00138 29 4ZZ -0.00669 -0.00204 -0.00699 -0.00080 -0.00101 30 4XY -0.00095 0.01510 0.00363 -0.00134 0.00024 31 4XZ 0.01010 -0.00008 -0.00916 0.00089 0.00227 32 4YZ 0.00109 0.00056 -0.00244 0.00704 -0.00017 33 4 H 1S -0.14460 0.13429 0.11500 -0.06569 -0.03411 34 2S -0.10740 0.11584 0.00756 -0.05597 -0.02316 35 5 C 1S 0.03670 0.03827 0.02032 0.00493 0.01843 36 2S -0.08129 -0.07860 -0.00675 0.00877 -0.02641 37 2PX 0.11148 0.15174 -0.12988 -0.04523 0.06746 38 2PY -0.07556 -0.09182 0.11506 0.06921 0.02007 39 2PZ -0.09259 -0.03236 0.08804 0.07049 -0.05630 40 3S -0.06809 -0.07757 -0.01842 0.01281 -0.01542 41 3PX 0.01745 0.02279 0.00181 0.00269 0.00600 42 3PY 0.02334 -0.03680 -0.01046 0.00474 0.00181 43 3PZ -0.01188 0.01311 -0.01338 0.00970 -0.01034 44 4XX -0.00458 -0.00338 0.00509 -0.00291 0.00006 45 4YY 0.01245 0.00156 -0.00454 -0.00123 0.00171 46 4ZZ -0.00402 0.00816 0.00762 0.00510 0.00043 47 4XY 0.00642 0.01353 -0.02708 -0.00429 -0.00004 48 4XZ 0.00646 -0.00098 -0.00678 -0.00131 0.00153 49 4YZ -0.00399 -0.00154 0.02058 0.00744 0.00022 50 6 C 1S -0.00730 -0.01143 0.01894 0.00570 -0.01124 51 2S 0.01625 0.02602 -0.05252 -0.01792 0.01030 52 2PX -0.02377 -0.05046 0.10666 0.02462 -0.03863 53 2PY -0.01525 -0.01122 0.03209 0.00840 -0.01389 54 2PZ 0.01907 0.01410 -0.07043 -0.03456 0.02527 55 3S 0.03874 0.06942 -0.15942 -0.04710 0.00139 56 3PX -0.00959 -0.04214 0.05097 0.01254 -0.02176 57 3PY -0.01208 -0.01553 -0.00617 0.01607 -0.01805 58 3PZ 0.00481 0.00981 -0.02235 -0.01326 0.01121 59 4XX -0.00172 -0.00423 0.00107 0.00040 0.00040 60 4YY 0.00090 0.00169 0.00002 -0.00149 -0.00030 61 4ZZ -0.00134 0.00001 0.00341 0.00257 -0.00113 62 4XY 0.00087 0.00056 -0.00298 -0.00210 0.00109 63 4XZ 0.00155 0.00116 -0.00059 -0.00182 0.00023 64 4YZ -0.00055 -0.00232 0.00391 0.00124 -0.00103 65 7 H 1S -0.00990 -0.01411 0.03914 0.02040 -0.01605 66 2S -0.02701 -0.02681 0.07750 0.03932 -0.01376 67 8 C 1S 0.00158 -0.00066 0.00733 0.00679 0.00348 68 2S -0.00249 0.00269 0.00253 -0.00921 0.00163 69 2PX 0.00595 -0.03301 0.03114 -0.00477 -0.00503 70 2PY 0.00155 -0.01354 0.00701 0.00347 0.00785 71 2PZ -0.00728 -0.02480 0.00479 -0.00891 -0.00252 72 3S -0.01116 -0.00756 0.06266 -0.01462 0.02824 73 3PX 0.00686 -0.01992 0.02598 -0.00406 -0.00094 74 3PY 0.01068 -0.00706 -0.03090 -0.00473 -0.00213 75 3PZ -0.00709 -0.01608 0.00043 -0.00255 -0.00401 76 4XX -0.00101 -0.00089 -0.00160 -0.00023 -0.00070 77 4YY 0.00106 0.00025 -0.00011 -0.00026 0.00039 78 4ZZ -0.00006 0.00122 0.00036 0.00054 -0.00004 79 4XY 0.00141 0.00129 -0.00339 -0.00104 0.00145 80 4XZ 0.00100 -0.00065 0.00020 -0.00043 0.00045 81 4YZ -0.00131 -0.00089 0.00220 0.00104 -0.00089 82 9 H 1S 0.00590 0.00480 -0.00100 -0.00232 0.00508 83 2S 0.00108 0.01707 -0.02671 0.00082 -0.00409 84 10 C 1S 0.01413 -0.00308 -0.01350 -0.00469 0.00010 85 2S -0.03815 0.00928 0.00059 0.00188 -0.01153 86 2PX 0.02484 0.00256 0.01132 0.00846 0.00453 87 2PY 0.03902 -0.00519 0.07902 0.00757 0.04059 88 2PZ -0.02461 0.01887 0.00366 0.00009 -0.00082 89 3S -0.05202 0.02570 0.00232 -0.00939 -0.01716 90 3PX 0.01060 -0.01401 0.01710 0.00980 -0.00159 91 3PY -0.02478 -0.00008 -0.01666 0.00139 -0.00919 92 3PZ -0.00579 0.00973 0.00258 -0.00877 0.00647 93 4XX -0.00250 -0.00626 -0.00272 -0.00319 -0.00124 94 4YY 0.00901 -0.00073 0.00423 -0.00036 0.00325 95 4ZZ -0.00241 0.00727 -0.00440 0.00316 -0.00204 96 4XY 0.00166 -0.00656 -0.00752 -0.00281 -0.00494 97 4XZ 0.00149 -0.00142 0.00251 -0.00050 0.00099 98 4YZ -0.00132 -0.00633 0.00452 -0.00448 0.00429 99 11 O 1S -0.01109 -0.00263 0.00426 -0.00577 -0.00008 100 2S 0.02505 0.00973 -0.02169 0.00512 -0.00672 101 2PX -0.06074 -0.04397 0.22511 0.02071 0.02889 102 2PY 0.04290 0.02796 -0.12408 -0.06500 -0.02953 103 2PZ 0.05380 0.01081 -0.21196 -0.05072 -0.03397 104 3S 0.06119 -0.00631 0.00354 0.02612 0.00875 105 3PX -0.05172 -0.04426 0.16932 0.01694 0.01683 106 3PY 0.03593 0.01504 -0.06862 -0.03364 -0.01254 107 3PZ 0.04590 0.00444 -0.15312 -0.04066 -0.01907 108 4XX -0.00187 0.00068 0.00261 -0.00018 0.00076 109 4YY -0.00141 -0.00007 -0.00740 -0.00399 -0.00271 110 4ZZ -0.00129 0.00155 0.00038 0.00060 0.00003 111 4XY 0.00080 0.00243 0.00496 -0.00081 0.00268 112 4XZ 0.00132 -0.00033 -0.00067 -0.00006 0.00021 113 4YZ -0.00051 -0.00044 -0.00700 -0.00052 -0.00316 114 12 O 1S -0.00574 0.00026 -0.00266 0.00265 -0.00273 115 2S 0.01165 0.00116 0.01453 -0.00389 0.00852 116 2PX -0.02463 -0.05038 -0.10148 -0.02362 -0.07605 117 2PY -0.03343 -0.01040 -0.08468 -0.01690 -0.03860 118 2PZ 0.03074 -0.05725 0.09582 -0.04284 0.07744 119 3S 0.04464 -0.00839 0.00852 -0.00453 0.01302 120 3PX -0.02009 -0.03624 -0.07595 -0.02004 -0.05447 121 3PY -0.02927 -0.00501 -0.04885 -0.01185 -0.02439 122 3PZ 0.02523 -0.04585 0.06623 -0.03084 0.05459 123 4XX -0.00185 -0.00052 -0.00226 -0.00065 -0.00142 124 4YY -0.00090 0.00104 0.00434 0.00105 0.00142 125 4ZZ -0.00132 0.00097 -0.00094 -0.00015 -0.00036 126 4XY -0.00013 0.00198 0.00317 0.00079 0.00254 127 4XZ 0.00090 -0.00053 0.00053 -0.00040 0.00035 128 4YZ -0.00032 0.00215 -0.00432 0.00178 -0.00320 129 13 C 1S -0.00055 -0.00024 -0.00447 -0.00235 -0.00081 130 2S 0.00017 0.00213 0.00919 0.00619 0.00505 131 2PX 0.00031 0.00642 -0.01942 -0.00102 -0.00496 132 2PY -0.00156 0.00319 0.01023 0.00539 0.00090 133 2PZ 0.00051 0.00730 0.00946 0.00873 0.00687 134 3S 0.00857 -0.00471 -0.00443 -0.00568 0.00604 135 3PX -0.00179 0.00082 -0.00564 0.00246 -0.00383 136 3PY -0.00082 -0.00838 0.01143 -0.00230 0.00252 137 3PZ 0.00383 0.01734 -0.01310 0.00385 0.00153 138 4XX 0.00000 -0.00057 -0.00132 -0.00083 -0.00031 139 4YY -0.00003 0.00036 0.00003 0.00039 0.00001 140 4ZZ -0.00040 -0.00011 0.00102 0.00054 -0.00036 141 4XY -0.00011 0.00047 -0.00021 0.00020 -0.00009 142 4XZ 0.00014 -0.00020 0.00001 -0.00025 -0.00028 143 4YZ -0.00002 0.00023 0.00040 0.00019 0.00028 144 14 C 1S 0.00000 -0.00028 -0.00077 -0.00039 -0.00196 145 2S 0.00118 0.00166 -0.00601 -0.00175 0.00013 146 2PX 0.00132 -0.01028 0.00516 -0.00501 0.00208 147 2PY 0.00045 0.00058 0.00424 0.00098 -0.00049 148 2PZ 0.00056 -0.01195 -0.00737 -0.00791 -0.00343 149 3S -0.00104 0.00647 -0.00406 -0.00039 -0.00021 150 3PX 0.00269 -0.01198 0.00040 -0.00667 0.00070 151 3PY -0.00201 -0.00018 0.01023 0.00394 0.00011 152 3PZ 0.00050 -0.00857 -0.00330 -0.00608 -0.00140 153 4XX 0.00005 -0.00016 0.00038 0.00002 -0.00001 154 4YY 0.00019 0.00019 -0.00028 -0.00019 0.00023 155 4ZZ 0.00015 0.00059 -0.00003 0.00035 0.00022 156 4XY -0.00003 -0.00075 0.00007 -0.00035 -0.00024 157 4XZ -0.00014 -0.00077 0.00045 -0.00014 -0.00033 158 4YZ -0.00018 -0.00051 0.00098 0.00000 0.00016 159 15 C 1S 0.00019 0.00022 0.00235 0.00101 0.00113 160 2S 0.00009 0.00102 -0.00036 -0.00104 0.00120 161 2PX -0.00179 -0.01389 0.00960 -0.00379 -0.00431 162 2PY -0.00125 -0.00098 0.00022 0.00009 0.00097 163 2PZ -0.00290 -0.01363 0.01315 -0.00444 0.00213 164 3S -0.00003 -0.00422 -0.00490 -0.00389 0.00176 165 3PX -0.00116 -0.01240 0.01094 -0.00329 -0.00235 166 3PY -0.00162 -0.00184 0.00656 0.00066 0.00114 167 3PZ -0.00224 -0.01548 0.00979 -0.00472 0.00027 168 4XX 0.00013 -0.00034 0.00002 -0.00005 0.00001 169 4YY 0.00013 0.00028 -0.00024 0.00001 -0.00003 170 4ZZ -0.00003 0.00063 0.00004 0.00028 -0.00012 171 4XY -0.00012 0.00050 -0.00010 0.00032 -0.00027 172 4XZ 0.00003 -0.00046 0.00042 -0.00010 -0.00001 173 4YZ -0.00006 0.00046 0.00047 0.00031 0.00026 174 16 C 1S -0.00058 -0.00074 0.00350 0.00079 0.00049 175 2S 0.00109 0.00434 -0.01065 -0.00045 -0.00219 176 2PX -0.00280 0.01031 0.00889 0.00491 0.00536 177 2PY 0.00071 0.00217 0.00380 0.00175 0.00275 178 2PZ -0.00201 0.01056 -0.00513 0.00320 -0.00697 179 3S 0.00360 -0.00386 -0.00372 -0.00197 -0.00023 180 3PX -0.00195 0.01071 0.00579 0.00439 0.00203 181 3PY -0.00015 0.00872 0.00731 0.00707 0.00435 182 3PZ -0.00226 0.01193 0.00774 0.00703 0.00018 183 4XX -0.00033 -0.00131 0.00138 -0.00037 0.00023 184 4YY 0.00004 0.00096 0.00021 0.00070 0.00006 185 4ZZ 0.00011 0.00032 -0.00043 0.00002 -0.00004 186 4XY 0.00005 -0.00063 0.00015 -0.00024 -0.00007 187 4XZ -0.00003 -0.00088 0.00110 -0.00006 -0.00002 188 4YZ 0.00005 0.00005 0.00039 0.00011 0.00018 189 17 H 1S 0.00030 -0.00017 0.00123 0.00107 0.00224 190 2S -0.00586 -0.01158 0.01887 0.00201 0.00173 191 18 H 1S 0.00026 0.00200 0.00228 0.00089 0.00293 192 2S -0.00134 0.00234 0.00784 0.00374 0.00288 193 19 H 1S -0.00022 0.00026 -0.00274 -0.00009 -0.00233 194 2S -0.00002 0.00155 -0.00574 0.00016 -0.00304 195 20 H 1S 0.00041 0.00489 -0.00299 0.00189 -0.00084 196 2S -0.00135 -0.00367 -0.00961 -0.00439 -0.00536 197 21 C 1S 0.00065 0.00342 -0.00191 0.00065 -0.00014 198 2S -0.00054 -0.00571 0.00073 -0.00189 0.00079 199 2PX 0.00191 0.02199 0.00079 0.01174 -0.00151 200 2PY 0.00080 0.00073 -0.02610 -0.00880 -0.01165 201 2PZ 0.00056 -0.00850 -0.00655 -0.00917 -0.00024 202 3S -0.00509 -0.02858 0.00420 -0.00973 -0.00043 203 3PX 0.00133 0.02347 0.00147 0.01386 -0.00062 204 3PY 0.00320 0.00421 -0.02265 -0.00735 -0.00594 205 3PZ 0.00084 -0.02495 -0.00448 -0.01471 0.00041 206 4XX -0.00002 -0.00070 -0.00036 -0.00043 0.00008 207 4YY 0.00005 0.00089 0.00017 0.00075 0.00003 208 4ZZ 0.00027 -0.00055 -0.00021 -0.00036 0.00003 209 4XY -0.00010 0.00008 -0.00018 -0.00011 -0.00014 210 4XZ 0.00034 0.00014 0.00010 0.00006 -0.00007 211 4YZ -0.00011 0.00005 0.00128 0.00044 0.00043 212 22 H 1S -0.00109 -0.00547 0.00064 -0.00247 0.00079 213 2S -0.00325 0.04011 0.00090 0.02049 -0.00057 214 23 H 1S 0.00129 0.00006 -0.00224 -0.00174 -0.00051 215 2S 0.00201 0.00243 -0.00044 -0.00079 -0.00088 26 27 28 29 30 26 3PZ 0.11851 27 4XX 0.00164 0.00077 28 4YY 0.00107 -0.00023 0.00077 29 4ZZ -0.00146 0.00041 -0.00008 0.00068 30 4XY 0.00702 0.00005 -0.00002 -0.00007 0.00134 31 4XZ 0.00016 -0.00021 0.00032 0.00002 -0.00018 32 4YZ 0.00284 -0.00004 0.00002 0.00006 -0.00052 33 4 H 1S 0.04929 0.00343 -0.00271 -0.00090 0.01118 34 2S 0.04019 0.00395 -0.00247 0.00118 0.00994 35 5 C 1S -0.00182 -0.00233 0.00018 -0.00119 0.00425 36 2S -0.00813 0.00390 -0.00194 0.00138 -0.00820 37 2PX 0.06915 0.00529 0.00090 -0.00089 0.00617 38 2PY -0.05467 0.00378 -0.00945 0.00046 -0.00135 39 2PZ -0.00548 0.00294 -0.00071 -0.00620 -0.00744 40 3S -0.01307 0.00314 -0.00254 0.00151 -0.00848 41 3PX 0.01217 0.00151 0.00033 -0.00160 0.00044 42 3PY -0.00735 -0.00064 0.00059 -0.00032 -0.00317 43 3PZ 0.00958 0.00208 0.00048 -0.00256 -0.00283 44 4XX -0.00460 0.00014 -0.00032 -0.00003 0.00027 45 4YY 0.00118 -0.00037 0.00057 -0.00014 -0.00007 46 4ZZ 0.00368 0.00006 -0.00031 -0.00002 0.00058 47 4XY 0.00744 0.00012 0.00030 0.00034 0.00058 48 4XZ -0.00073 -0.00018 0.00023 0.00007 -0.00005 49 4YZ 0.00064 -0.00021 -0.00019 -0.00005 0.00015 50 6 C 1S -0.00317 -0.00107 0.00030 -0.00042 -0.00061 51 2S 0.01097 0.00200 -0.00038 0.00072 0.00121 52 2PX -0.03511 -0.00238 0.00286 -0.00402 -0.00264 53 2PY 0.00050 -0.00215 0.00048 -0.00043 -0.00036 54 2PZ 0.00556 0.00510 -0.00135 -0.00092 0.00049 55 3S 0.01647 0.00300 0.00011 0.00111 0.00500 56 3PX -0.02133 -0.00084 0.00158 -0.00240 -0.00289 57 3PY -0.00627 -0.00079 -0.00040 0.00015 -0.00040 58 3PZ -0.00106 0.00257 -0.00086 -0.00069 0.00130 59 4XX -0.00182 -0.00001 -0.00016 0.00016 -0.00015 60 4YY 0.00104 -0.00010 0.00016 -0.00002 0.00004 61 4ZZ 0.00008 0.00001 0.00005 -0.00016 -0.00016 62 4XY 0.00052 0.00018 -0.00002 0.00010 0.00010 63 4XZ 0.00025 -0.00017 0.00012 0.00001 0.00014 64 4YZ -0.00181 -0.00018 0.00004 -0.00003 -0.00004 65 7 H 1S -0.01130 -0.00153 0.00084 -0.00049 -0.00105 66 2S -0.01564 -0.00142 -0.00035 -0.00060 -0.00164 67 8 C 1S -0.00313 -0.00011 0.00010 -0.00011 0.00050 68 2S 0.00379 -0.00006 -0.00001 -0.00011 -0.00116 69 2PX -0.02446 0.00065 0.00081 -0.00124 0.00098 70 2PY -0.01004 0.00096 -0.00079 -0.00014 -0.00208 71 2PZ -0.01980 0.00097 -0.00006 -0.00087 -0.00181 72 3S 0.00444 0.00024 -0.00033 -0.00068 -0.00505 73 3PX -0.01660 0.00032 0.00053 -0.00070 0.00147 74 3PY -0.00814 0.00058 -0.00034 -0.00004 -0.00126 75 3PZ -0.00988 0.00081 0.00001 -0.00058 -0.00146 76 4XX -0.00038 -0.00002 0.00001 0.00007 0.00005 77 4YY -0.00001 0.00002 -0.00003 0.00001 -0.00004 78 4ZZ 0.00052 0.00004 0.00003 -0.00002 0.00014 79 4XY 0.00092 0.00004 -0.00005 0.00012 0.00018 80 4XZ -0.00032 -0.00005 -0.00001 0.00003 -0.00012 81 4YZ -0.00068 -0.00015 0.00001 0.00006 -0.00007 82 9 H 1S 0.00373 0.00043 -0.00004 0.00002 0.00076 83 2S 0.01024 0.00090 0.00003 0.00018 0.00236 84 10 C 1S 0.00253 -0.00031 -0.00041 -0.00024 -0.00179 85 2S 0.00123 0.00102 0.00092 0.00078 0.00367 86 2PX -0.00296 -0.00042 -0.00184 -0.00065 -0.00465 87 2PY -0.00269 -0.00015 -0.00210 0.00005 -0.00434 88 2PZ -0.00016 0.00105 0.00158 0.00000 0.00604 89 3S 0.00367 0.00102 0.00034 0.00121 0.00524 90 3PX -0.01086 -0.00054 -0.00006 -0.00041 -0.00055 91 3PY 0.00195 0.00101 -0.00053 0.00054 -0.00219 92 3PZ -0.00165 0.00054 0.00015 0.00001 0.00154 93 4XX -0.00422 0.00004 0.00008 0.00001 -0.00038 94 4YY 0.00009 -0.00028 0.00007 -0.00017 -0.00005 95 4ZZ 0.00483 0.00009 0.00001 0.00002 0.00016 96 4XY -0.00546 -0.00015 0.00024 0.00000 0.00034 97 4XZ -0.00075 -0.00003 -0.00013 -0.00002 -0.00006 98 4YZ -0.00448 -0.00004 -0.00019 0.00014 -0.00051 99 11 O 1S 0.00352 -0.00017 -0.00116 -0.00023 0.00032 100 2S -0.00198 0.00020 0.00225 0.00064 -0.00043 101 2PX -0.02783 0.00346 -0.00335 -0.00240 -0.00346 102 2PY 0.05114 -0.00335 0.00816 0.00087 -0.00351 103 2PZ 0.00286 0.00216 0.00486 -0.00470 -0.00642 104 3S -0.01697 -0.00027 0.00149 -0.00050 0.00011 105 3PX -0.02692 0.00206 -0.00264 -0.00152 -0.00287 106 3PY 0.02879 -0.00220 0.00461 0.00018 -0.00172 107 3PZ -0.00110 0.00112 0.00336 -0.00276 -0.00397 108 4XX -0.00044 0.00008 -0.00015 0.00000 0.00013 109 4YY 0.00269 -0.00011 0.00038 0.00017 -0.00033 110 4ZZ 0.00037 0.00005 -0.00009 -0.00002 0.00009 111 4XY 0.00104 0.00027 -0.00005 -0.00014 -0.00002 112 4XZ -0.00016 0.00001 0.00005 -0.00005 -0.00008 113 4YZ 0.00011 0.00018 0.00021 -0.00036 -0.00050 114 12 O 1S -0.00249 0.00019 0.00023 0.00014 -0.00004 115 2S 0.00537 -0.00025 -0.00033 -0.00014 -0.00010 116 2PX -0.05373 0.00033 -0.00031 0.00138 0.00192 117 2PY -0.00735 0.00016 0.00095 -0.00003 0.00149 118 2PZ -0.04531 -0.00146 0.00010 -0.00022 -0.00269 119 3S 0.00174 -0.00152 0.00031 -0.00118 0.00085 120 3PX -0.03835 0.00027 -0.00010 0.00108 0.00171 121 3PY -0.00449 0.00042 0.00038 0.00029 0.00072 122 3PZ -0.03396 -0.00127 0.00001 -0.00015 -0.00243 123 4XX -0.00059 0.00005 -0.00001 0.00005 -0.00008 124 4YY 0.00060 0.00008 -0.00007 0.00007 -0.00005 125 4ZZ 0.00051 0.00003 0.00000 0.00003 -0.00001 126 4XY 0.00232 0.00001 0.00006 -0.00003 0.00005 127 4XZ -0.00045 -0.00003 0.00001 -0.00002 0.00002 128 4YZ 0.00212 0.00002 -0.00003 -0.00001 -0.00004 129 13 C 1S 0.00076 0.00030 0.00003 0.00013 -0.00006 130 2S 0.00007 -0.00043 -0.00001 0.00002 0.00019 131 2PX 0.00685 0.00017 -0.00026 0.00094 0.00049 132 2PY 0.00242 0.00032 -0.00002 -0.00044 -0.00025 133 2PZ 0.00323 -0.00061 0.00000 0.00072 0.00062 134 3S -0.00252 -0.00130 0.00049 0.00076 0.00035 135 3PX 0.00271 -0.00026 -0.00024 0.00086 0.00049 136 3PY -0.00462 -0.00012 -0.00010 0.00005 -0.00044 137 3PZ 0.01043 -0.00009 0.00022 0.00045 0.00083 138 4XX -0.00051 0.00015 -0.00002 -0.00007 -0.00004 139 4YY 0.00028 -0.00009 0.00000 0.00006 0.00004 140 4ZZ 0.00007 -0.00002 0.00001 -0.00004 -0.00003 141 4XY 0.00034 0.00001 0.00000 0.00001 0.00001 142 4XZ -0.00036 0.00006 0.00005 -0.00007 -0.00001 143 4YZ 0.00009 0.00001 0.00000 -0.00001 0.00000 144 14 C 1S 0.00037 -0.00005 0.00008 0.00001 0.00001 145 2S 0.00155 0.00016 -0.00018 0.00016 0.00003 146 2PX -0.01054 0.00047 0.00025 -0.00037 -0.00005 147 2PY -0.00087 -0.00028 0.00007 0.00001 -0.00006 148 2PZ -0.01019 0.00085 -0.00002 -0.00015 -0.00010 149 3S 0.00247 0.00068 0.00001 -0.00065 -0.00022 150 3PX -0.00963 0.00027 0.00010 -0.00001 -0.00001 151 3PY -0.00042 -0.00026 0.00005 -0.00014 -0.00012 152 3PZ -0.00833 0.00083 0.00006 -0.00044 -0.00020 153 4XX -0.00010 0.00000 0.00001 -0.00004 -0.00001 154 4YY 0.00007 -0.00001 -0.00001 0.00002 0.00001 155 4ZZ 0.00040 0.00000 0.00000 0.00002 0.00003 156 4XY -0.00056 0.00002 0.00001 -0.00003 -0.00003 157 4XZ -0.00048 -0.00001 0.00001 -0.00002 -0.00003 158 4YZ -0.00045 0.00003 0.00001 -0.00006 -0.00004 159 15 C 1S 0.00030 0.00003 0.00009 -0.00002 0.00001 160 2S -0.00025 -0.00007 -0.00008 0.00004 -0.00002 161 2PX -0.01109 0.00049 0.00028 -0.00080 -0.00065 162 2PY 0.00002 0.00018 -0.00001 -0.00013 -0.00003 163 2PZ -0.01198 0.00068 0.00006 -0.00097 -0.00071 164 3S -0.00420 0.00024 -0.00038 0.00034 0.00003 165 3PX -0.00961 0.00020 0.00032 -0.00079 -0.00069 166 3PY -0.00144 0.00001 0.00003 -0.00026 -0.00026 167 3PZ -0.01238 0.00047 -0.00002 -0.00057 -0.00057 168 4XX -0.00015 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00019 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00044 0.00000 0.00001 -0.00002 0.00001 171 4XY 0.00048 -0.00002 0.00000 0.00002 0.00000 172 4XZ -0.00034 0.00001 0.00001 -0.00002 0.00000 173 4YZ 0.00040 -0.00003 0.00000 -0.00001 -0.00001 174 16 C 1S -0.00196 0.00014 0.00001 -0.00011 0.00005 175 2S 0.00539 -0.00020 -0.00010 0.00030 0.00012 176 2PX 0.00536 0.00015 0.00003 -0.00059 -0.00002 177 2PY 0.00222 0.00008 0.00005 -0.00033 -0.00017 178 2PZ 0.00827 -0.00016 0.00018 -0.00027 -0.00001 179 3S 0.00212 -0.00084 0.00011 0.00037 -0.00067 180 3PX 0.00706 0.00015 0.00016 -0.00060 0.00013 181 3PY 0.00608 0.00048 -0.00025 -0.00024 0.00014 182 3PZ 0.00885 -0.00004 -0.00006 -0.00030 -0.00010 183 4XX -0.00126 0.00007 -0.00001 -0.00007 -0.00004 184 4YY 0.00078 -0.00003 0.00000 0.00001 0.00002 185 4ZZ 0.00026 0.00001 0.00000 0.00002 0.00004 186 4XY -0.00038 -0.00001 -0.00001 0.00000 -0.00001 187 4XZ -0.00067 0.00004 0.00003 -0.00005 -0.00004 188 4YZ 0.00005 0.00000 0.00000 -0.00001 0.00000 189 17 H 1S -0.00083 -0.00057 0.00002 0.00038 0.00026 190 2S -0.00774 -0.00029 -0.00041 0.00020 -0.00044 191 18 H 1S 0.00119 0.00004 0.00000 -0.00006 0.00007 192 2S 0.00127 -0.00001 0.00005 -0.00019 -0.00002 193 19 H 1S 0.00060 -0.00001 0.00003 0.00008 0.00002 194 2S 0.00173 0.00006 -0.00001 0.00020 0.00019 195 20 H 1S 0.00493 -0.00015 0.00003 -0.00001 0.00000 196 2S -0.00323 -0.00031 0.00018 0.00007 0.00024 197 21 C 1S 0.00231 0.00024 0.00027 0.00012 0.00007 198 2S -0.00360 -0.00043 -0.00037 0.00021 -0.00012 199 2PX 0.01659 -0.00012 0.00102 -0.00019 0.00039 200 2PY 0.00292 0.00018 -0.00001 0.00026 0.00009 201 2PZ -0.00540 0.00039 -0.00003 -0.00027 -0.00035 202 3S -0.01956 -0.00025 -0.00058 0.00029 -0.00066 203 3PX 0.01588 0.00028 0.00037 -0.00035 0.00056 204 3PY 0.00321 0.00017 0.00021 0.00020 0.00042 205 3PZ -0.01547 -0.00042 0.00000 0.00033 -0.00083 206 4XX -0.00051 0.00003 -0.00004 -0.00001 -0.00002 207 4YY 0.00066 -0.00005 0.00002 0.00003 0.00003 208 4ZZ -0.00030 0.00001 0.00002 -0.00002 -0.00003 209 4XY 0.00011 0.00002 0.00000 -0.00004 -0.00003 210 4XZ 0.00020 0.00003 0.00006 -0.00006 -0.00001 211 4YZ -0.00011 0.00000 0.00000 -0.00004 -0.00002 212 22 H 1S -0.00440 0.00013 -0.00075 -0.00005 0.00005 213 2S 0.02527 0.00076 -0.00066 -0.00041 0.00139 214 23 H 1S 0.00094 0.00013 0.00029 -0.00029 -0.00014 215 2S 0.00184 0.00048 0.00042 -0.00061 -0.00004 31 32 33 34 35 31 4XZ 0.00063 32 4YZ 0.00015 0.00105 33 4 H 1S -0.00781 -0.00850 0.21460 34 2S -0.00490 -0.00750 0.15568 0.13803 35 5 C 1S 0.00326 -0.00335 0.01124 0.02036 2.05381 36 2S -0.00649 0.00643 -0.02469 -0.03633 -0.07109 37 2PX 0.00256 -0.00737 0.03847 0.07441 -0.00061 38 2PY -0.00683 0.00084 -0.01482 0.00998 -0.00350 39 2PZ -0.00006 0.00206 -0.02902 -0.05440 0.00102 40 3S -0.00436 0.00592 -0.04010 -0.04371 -0.14982 41 3PX 0.00077 -0.00210 0.00238 0.00219 -0.00725 42 3PY -0.00068 0.00219 -0.03175 -0.03071 -0.06048 43 3PZ 0.00074 -0.00040 -0.00723 -0.00844 -0.00431 44 4XX -0.00022 -0.00058 0.00562 0.00557 -0.01269 45 4YY 0.00046 0.00001 -0.00409 -0.00358 -0.01530 46 4ZZ -0.00004 0.00000 0.00333 0.00300 -0.01103 47 4XY 0.00015 0.00025 0.00171 0.00728 -0.00044 48 4XZ 0.00041 0.00002 -0.00408 -0.00228 0.00244 49 4YZ -0.00013 0.00063 -0.00140 -0.00557 -0.00044 50 6 C 1S 0.00054 0.00064 -0.00676 -0.01486 0.01410 51 2S -0.00098 -0.00115 0.01375 0.02719 -0.02937 52 2PX 0.00430 0.00031 -0.02259 -0.05707 0.05421 53 2PY 0.00101 0.00090 -0.00859 -0.02511 0.03584 54 2PZ -0.00141 -0.00230 0.01593 0.03574 -0.03570 55 3S -0.00070 -0.00376 0.04551 0.08774 0.02047 56 3PX 0.00204 0.00100 -0.02318 -0.04329 0.00033 57 3PY -0.00003 0.00114 -0.01279 -0.00934 0.01644 58 3PZ -0.00039 -0.00144 0.01315 0.02387 0.00412 59 4XX -0.00021 0.00015 -0.00100 -0.00053 -0.00327 60 4YY 0.00014 -0.00006 0.00075 -0.00060 0.00058 61 4ZZ 0.00010 0.00011 -0.00123 -0.00192 0.00008 62 4XY -0.00012 -0.00004 0.00115 0.00186 -0.00438 63 4XZ 0.00015 -0.00009 0.00098 0.00042 0.00306 64 4YZ 0.00010 0.00012 -0.00096 -0.00187 0.00280 65 7 H 1S 0.00104 0.00096 -0.01126 -0.02021 0.01078 66 2S 0.00060 0.00200 -0.01955 -0.03230 0.01881 67 8 C 1S -0.00023 -0.00034 0.00094 0.00686 -0.00341 68 2S 0.00038 0.00083 -0.00128 -0.01143 0.00781 69 2PX 0.00080 -0.00133 -0.00183 0.00042 -0.00169 70 2PY -0.00036 0.00110 -0.00861 -0.00560 -0.01402 71 2PZ 0.00022 0.00089 -0.00421 -0.01314 0.00455 72 3S 0.00070 0.00271 -0.00950 -0.04183 -0.00945 73 3PX 0.00038 -0.00133 0.00310 0.00360 0.00354 74 3PY -0.00025 0.00079 -0.00480 0.00421 -0.00138 75 3PZ 0.00022 0.00089 -0.00616 -0.01103 -0.00339 76 4XX -0.00006 -0.00015 0.00053 0.00103 -0.00021 77 4YY 0.00000 0.00003 -0.00008 -0.00008 -0.00053 78 4ZZ 0.00001 0.00003 0.00031 0.00073 -0.00047 79 4XY -0.00013 -0.00008 0.00079 0.00237 -0.00161 80 4XZ 0.00000 0.00003 -0.00024 -0.00041 -0.00006 81 4YZ 0.00001 0.00012 -0.00051 -0.00136 0.00117 82 9 H 1S -0.00007 -0.00055 0.00187 0.00771 -0.00725 83 2S -0.00037 -0.00122 0.00819 0.02121 -0.01020 84 10 C 1S 0.00004 0.00137 -0.00877 -0.01160 -0.00381 85 2S -0.00022 -0.00282 0.01999 0.02373 0.00605 86 2PX 0.00052 0.00598 -0.02590 -0.04198 -0.00037 87 2PY 0.00063 0.00382 -0.02210 -0.03318 -0.00846 88 2PZ -0.00038 -0.00123 0.02038 0.03423 0.00061 89 3S -0.00079 -0.00403 0.04606 0.04563 0.01987 90 3PX 0.00048 0.00136 -0.01497 -0.01735 0.00058 91 3PY -0.00002 0.00178 -0.00466 -0.00638 -0.01661 92 3PZ -0.00032 0.00012 0.01105 0.01354 0.00134 93 4XX -0.00003 -0.00014 0.00002 -0.00011 -0.00036 94 4YY 0.00012 0.00007 -0.00227 -0.00287 -0.00033 95 4ZZ -0.00002 0.00031 0.00050 0.00097 -0.00057 96 4XY 0.00000 -0.00059 0.00084 0.00294 0.00000 97 4XZ 0.00002 -0.00004 -0.00031 -0.00078 -0.00011 98 4YZ -0.00009 -0.00001 -0.00019 -0.00120 -0.00019 99 11 O 1S -0.00005 -0.00036 0.00337 -0.00418 0.01187 100 2S 0.00055 0.00069 -0.00650 0.00679 -0.02038 101 2PX 0.00003 -0.00619 0.01146 -0.04156 -0.00967 102 2PY 0.00276 0.00512 -0.01588 -0.05049 -0.10128 103 2PZ 0.00256 -0.00479 -0.01504 0.01745 -0.00765 104 3S 0.00060 -0.00032 -0.02321 0.00404 -0.01281 105 3PX -0.00031 -0.00400 0.00651 -0.03275 -0.00492 106 3PY 0.00174 0.00281 -0.01368 -0.03116 -0.05718 107 3PZ 0.00173 -0.00364 -0.00974 0.01584 -0.00424 108 4XX 0.00000 -0.00020 0.00169 0.00147 0.00412 109 4YY 0.00000 0.00046 -0.00065 -0.00314 -0.00903 110 4ZZ 0.00002 -0.00008 0.00085 0.00111 0.00413 111 4XY 0.00008 -0.00043 0.00149 0.00001 -0.00130 112 4XZ 0.00005 -0.00003 -0.00078 -0.00059 -0.00009 113 4YZ 0.00012 -0.00014 -0.00147 -0.00098 -0.00107 114 12 O 1S -0.00010 -0.00004 0.00163 0.00255 -0.00036 115 2S 0.00030 0.00032 -0.00307 -0.00556 -0.00070 116 2PX -0.00032 -0.00296 0.01278 0.02786 -0.00027 117 2PY -0.00070 -0.00169 0.01251 0.02161 0.00207 118 2PZ -0.00031 0.00014 -0.00860 -0.01565 -0.00096 119 3S 0.00046 -0.00040 -0.01181 -0.00992 0.01007 120 3PX -0.00037 -0.00275 0.01307 0.02501 0.00026 121 3PY -0.00049 -0.00100 0.01111 0.01538 -0.00089 122 3PZ -0.00017 0.00002 -0.00911 -0.01457 -0.00059 123 4XX -0.00002 0.00001 0.00044 0.00038 -0.00071 124 4YY 0.00002 0.00004 0.00016 -0.00034 -0.00048 125 4ZZ -0.00001 0.00005 0.00046 0.00036 -0.00064 126 4XY 0.00000 -0.00004 0.00019 0.00004 0.00000 127 4XZ 0.00001 -0.00002 -0.00007 -0.00011 0.00013 128 4YZ 0.00003 0.00002 -0.00015 -0.00025 0.00006 129 13 C 1S 0.00001 -0.00016 0.00024 -0.00025 -0.00136 130 2S -0.00006 0.00035 -0.00040 0.00095 0.00342 131 2PX -0.00062 -0.00001 0.00237 0.00527 -0.00461 132 2PY -0.00003 -0.00020 0.00035 -0.00077 -0.00026 133 2PZ -0.00056 0.00030 0.00135 0.00440 -0.00036 134 3S -0.00023 0.00044 0.00006 0.00211 -0.00371 135 3PX -0.00057 0.00051 0.00064 0.00180 -0.00522 136 3PY -0.00023 -0.00055 0.00098 -0.00112 -0.00388 137 3PZ -0.00025 0.00027 0.00285 0.00736 -0.00102 138 4XX 0.00003 -0.00008 0.00013 0.00030 -0.00088 139 4YY -0.00004 0.00006 -0.00004 0.00003 0.00007 140 4ZZ 0.00002 0.00004 -0.00028 -0.00060 0.00015 141 4XY -0.00003 0.00002 0.00003 0.00005 -0.00026 142 4XZ 0.00003 -0.00004 0.00004 -0.00008 0.00012 143 4YZ -0.00001 -0.00002 0.00009 0.00011 -0.00007 144 14 C 1S 0.00006 0.00005 -0.00042 -0.00134 0.00036 145 2S -0.00011 -0.00006 0.00085 0.00231 -0.00277 146 2PX 0.00031 -0.00056 0.00067 0.00091 0.00023 147 2PY 0.00005 0.00019 -0.00069 -0.00085 0.00030 148 2PZ 0.00029 -0.00072 0.00119 0.00263 -0.00175 149 3S 0.00053 -0.00052 0.00143 0.00218 0.00719 150 3PX 0.00003 -0.00047 0.00074 0.00146 -0.00426 151 3PY 0.00010 0.00026 -0.00125 -0.00314 0.00289 152 3PZ 0.00039 -0.00087 0.00130 0.00231 0.00133 153 4XX 0.00003 0.00000 -0.00010 -0.00025 0.00022 154 4YY -0.00001 0.00001 0.00005 0.00014 -0.00025 155 4ZZ -0.00003 0.00001 0.00006 0.00017 -0.00030 156 4XY 0.00004 -0.00001 -0.00017 -0.00035 0.00015 157 4XZ 0.00003 0.00001 -0.00021 -0.00043 -0.00002 158 4YZ 0.00004 0.00000 -0.00019 -0.00043 0.00011 159 15 C 1S -0.00004 -0.00004 0.00007 0.00002 0.00004 160 2S 0.00012 0.00005 0.00008 0.00041 0.00026 161 2PX 0.00058 -0.00012 -0.00307 -0.00818 0.00269 162 2PY 0.00011 -0.00010 -0.00006 -0.00090 0.00121 163 2PZ 0.00103 -0.00028 -0.00332 -0.00690 0.00343 164 3S -0.00005 0.00027 -0.00093 0.00148 -0.00402 165 3PX 0.00065 -0.00023 -0.00268 -0.00745 0.00412 166 3PY 0.00024 0.00001 -0.00070 -0.00262 0.00245 167 3PZ 0.00062 -0.00009 -0.00307 -0.00580 0.00121 168 4XX -0.00002 -0.00001 0.00003 0.00008 -0.00008 169 4YY 0.00000 0.00000 0.00004 0.00005 -0.00002 170 4ZZ 0.00000 0.00002 -0.00004 -0.00023 0.00005 171 4XY -0.00002 0.00003 -0.00005 -0.00015 0.00002 172 4XZ 0.00002 -0.00002 -0.00001 0.00000 0.00004 173 4YZ 0.00001 0.00003 -0.00011 -0.00021 0.00017 174 16 C 1S 0.00009 -0.00002 -0.00010 -0.00006 0.00056 175 2S -0.00022 0.00001 0.00050 0.00073 -0.00121 176 2PX 0.00062 0.00022 -0.00128 -0.00297 0.00340 177 2PY 0.00036 -0.00010 -0.00069 -0.00146 0.00124 178 2PZ 0.00013 0.00034 -0.00120 -0.00545 0.00207 179 3S -0.00030 -0.00006 -0.00134 -0.00305 -0.00022 180 3PX 0.00055 0.00011 -0.00040 -0.00268 0.00341 181 3PY 0.00014 0.00034 -0.00146 -0.00138 -0.00030 182 3PZ 0.00019 0.00082 -0.00242 -0.00654 0.00217 183 4XX 0.00007 -0.00001 -0.00021 -0.00043 0.00040 184 4YY -0.00002 0.00001 0.00005 0.00007 0.00013 185 4ZZ -0.00003 -0.00001 0.00015 0.00040 -0.00010 186 4XY 0.00001 -0.00001 -0.00003 -0.00009 0.00015 187 4XZ 0.00001 0.00002 -0.00023 -0.00049 0.00006 188 4YZ 0.00002 -0.00001 -0.00002 0.00000 0.00015 189 17 H 1S -0.00011 0.00036 -0.00041 0.00049 0.00128 190 2S -0.00032 -0.00047 -0.00048 -0.00307 0.00096 191 18 H 1S -0.00005 -0.00004 0.00056 0.00078 0.00000 192 2S 0.00003 0.00007 -0.00035 -0.00121 0.00176 193 19 H 1S -0.00014 0.00006 0.00015 -0.00053 -0.00013 194 2S -0.00029 0.00004 0.00077 0.00101 -0.00149 195 20 H 1S 0.00004 -0.00001 0.00005 -0.00057 0.00039 196 2S 0.00000 -0.00063 0.00270 0.00357 0.00145 197 21 C 1S -0.00007 0.00013 -0.00019 -0.00044 -0.00067 198 2S 0.00010 -0.00024 0.00030 0.00096 0.00120 199 2PX -0.00127 0.00088 0.00036 -0.00188 -0.00310 200 2PY -0.00015 -0.00014 0.00094 0.00002 -0.00243 201 2PZ 0.00038 -0.00040 -0.00011 -0.00018 -0.00085 202 3S -0.00007 -0.00126 0.00082 0.00145 0.00203 203 3PX -0.00049 0.00084 -0.00106 -0.00127 -0.00195 204 3PY -0.00004 -0.00031 0.00244 0.00409 -0.00279 205 3PZ -0.00020 -0.00109 0.00050 0.00094 -0.00282 206 4XX 0.00006 -0.00003 -0.00015 0.00002 -0.00009 207 4YY -0.00004 0.00004 -0.00008 -0.00005 -0.00002 208 4ZZ -0.00002 -0.00001 -0.00008 -0.00006 -0.00012 209 4XY 0.00002 0.00001 -0.00013 -0.00030 -0.00010 210 4XZ -0.00004 0.00002 -0.00010 -0.00027 -0.00034 211 4YZ 0.00003 0.00001 -0.00009 -0.00015 0.00032 212 22 H 1S 0.00091 -0.00021 -0.00051 0.00086 0.00141 213 2S 0.00102 0.00159 -0.00080 0.00062 0.00305 214 23 H 1S -0.00023 0.00002 -0.00003 -0.00088 -0.00137 215 2S 0.00003 0.00026 -0.00053 -0.00214 -0.00018 36 37 38 39 40 36 2S 0.35855 37 2PX 0.00241 0.37725 38 2PY 0.00756 0.01134 0.42606 39 2PZ -0.00365 -0.06931 0.00950 0.32857 40 3S 0.25478 0.00259 0.04864 0.00927 0.22567 41 3PX 0.00851 0.08621 -0.01369 0.04144 0.00904 42 3PY 0.08069 -0.01005 -0.00595 0.00089 0.05925 43 3PZ 0.00555 0.04163 -0.01082 0.12312 0.00693 44 4XX -0.01195 0.00171 0.01636 -0.00015 -0.00596 45 4YY -0.00363 -0.00015 -0.01793 0.00049 -0.00696 46 4ZZ -0.01542 -0.00107 0.01244 0.00106 -0.00805 47 4XY 0.00159 0.00643 -0.00246 -0.01401 -0.00135 48 4XZ -0.00539 -0.00059 -0.00722 -0.00248 -0.00384 49 4YZ 0.00127 -0.01374 -0.00040 -0.00341 0.00023 50 6 C 1S -0.02990 -0.05447 -0.03295 0.03101 0.01361 51 2S 0.05355 0.10875 0.05774 -0.06074 0.00612 52 2PX -0.11390 -0.12923 -0.12235 0.15352 -0.10632 53 2PY -0.08052 -0.12702 -0.06353 0.06393 -0.06223 54 2PZ 0.07604 0.15561 0.06849 -0.00963 0.06649 55 3S -0.00257 0.15402 0.11316 -0.09140 -0.04889 56 3PX -0.01740 -0.06002 -0.06878 0.08586 -0.02053 57 3PY -0.02632 -0.06616 0.01883 0.03001 -0.01591 58 3PZ 0.00531 0.06795 0.04958 -0.00432 0.00172 59 4XX 0.00582 -0.00285 0.00502 -0.00416 0.00585 60 4YY -0.00251 -0.00197 -0.00972 0.00100 -0.00259 61 4ZZ -0.00132 -0.00195 -0.00179 0.00721 -0.00098 62 4XY 0.00858 0.00709 0.00032 -0.00649 0.00652 63 4XZ -0.00632 -0.00403 -0.00652 -0.00090 -0.00387 64 4YZ -0.00540 -0.00729 -0.00063 0.00046 -0.00635 65 7 H 1S -0.02379 -0.03953 -0.01277 0.01908 -0.04166 66 2S -0.03589 -0.07197 0.00801 0.04012 -0.03913 67 8 C 1S 0.00908 0.00899 0.00946 -0.00730 -0.00324 68 2S -0.01886 -0.02203 -0.02431 0.01538 -0.01172 69 2PX 0.00917 0.01367 0.00258 0.01198 0.00910 70 2PY 0.03691 0.03561 0.03579 -0.00715 0.05738 71 2PZ -0.00798 -0.01233 -0.01033 0.01886 -0.03944 72 3S -0.00356 -0.02401 -0.06830 0.03572 0.01399 73 3PX 0.00183 0.01022 -0.00004 -0.00489 -0.00799 74 3PY 0.01355 0.01499 0.04309 -0.00466 0.01650 75 3PZ 0.00363 -0.00471 -0.00458 0.01409 -0.01070 76 4XX 0.00064 0.00012 0.00020 -0.00116 0.00075 77 4YY 0.00092 0.00177 0.00147 -0.00111 -0.00040 78 4ZZ 0.00129 0.00130 0.00002 -0.00051 0.00183 79 4XY 0.00339 0.00429 0.00438 -0.00538 0.00376 80 4XZ 0.00011 -0.00058 -0.00006 -0.00088 -0.00011 81 4YZ -0.00241 -0.00579 -0.00215 0.00015 -0.00335 82 9 H 1S 0.01682 0.02828 0.01601 -0.00893 0.03884 83 2S 0.02150 0.04407 0.02424 -0.01716 0.03596 84 10 C 1S 0.00605 -0.00037 0.00846 0.00061 0.01987 85 2S -0.01281 0.00078 -0.02141 0.00137 -0.02794 86 2PX 0.00078 -0.02966 0.00226 0.01388 0.00221 87 2PY 0.02141 -0.00226 0.02689 0.00061 0.03218 88 2PZ 0.00137 0.01388 -0.00062 -0.01902 -0.01690 89 3S -0.02794 0.00221 -0.03218 -0.01690 -0.04669 90 3PX -0.00056 -0.01348 -0.00049 0.00442 -0.00352 91 3PY 0.02202 -0.00289 -0.00780 0.01086 0.02836 92 3PZ -0.00055 0.00524 0.00303 -0.00778 -0.00755 93 4XX 0.00059 -0.00023 -0.00004 0.00076 0.00119 94 4YY -0.00019 -0.00052 -0.00149 -0.00074 -0.00084 95 4ZZ 0.00068 0.00073 -0.00006 0.00025 0.00168 96 4XY -0.00005 0.00175 0.00017 -0.00253 -0.00047 97 4XZ -0.00003 -0.00036 -0.00019 0.00002 -0.00076 98 4YZ 0.00012 -0.00235 0.00067 -0.00075 0.00128 99 11 O 1S -0.01328 0.00379 0.04814 0.00348 0.03130 100 2S 0.02305 -0.00908 -0.11032 -0.01008 -0.08068 101 2PX 0.01824 0.14979 -0.05616 0.10937 0.03213 102 2PY 0.21849 -0.05413 -0.38653 -0.05519 0.15310 103 2PZ 0.01501 0.11120 -0.05317 0.23611 0.01509 104 3S -0.03473 0.00166 -0.02670 0.00705 -0.13691 105 3PX 0.00836 0.07891 -0.03095 0.07880 0.01988 106 3PY 0.11196 -0.02857 -0.20309 -0.03002 0.08117 107 3PZ 0.00748 0.07937 -0.03090 0.13893 0.00817 108 4XX -0.00509 0.00274 0.00498 0.00026 -0.00150 109 4YY 0.01950 -0.00502 -0.02180 -0.00513 0.01505 110 4ZZ -0.00502 0.00068 0.00458 0.00212 -0.00187 111 4XY 0.00250 0.01604 -0.00452 0.00318 0.00246 112 4XZ 0.00028 0.00147 -0.00135 0.00197 -0.00019 113 4YZ 0.00185 0.00316 -0.00399 0.01893 0.00180 114 12 O 1S 0.00095 0.00021 -0.00037 0.00027 -0.00332 115 2S 0.00008 -0.00094 -0.00242 -0.00054 0.00611 116 2PX 0.00025 -0.00205 0.00215 -0.01484 -0.00478 117 2PY -0.00770 0.00056 -0.00832 -0.00202 -0.00346 118 2PZ 0.00090 -0.00949 0.00436 -0.01354 0.00344 119 3S -0.01475 0.00051 0.01310 -0.00348 -0.00861 120 3PX -0.00055 0.00216 0.00211 -0.01332 -0.00362 121 3PY -0.00135 0.00026 -0.00895 -0.00173 0.00174 122 3PZ 0.00012 -0.00879 0.00315 -0.00844 0.00396 123 4XX 0.00073 -0.00024 -0.00113 -0.00004 0.00074 124 4YY 0.00073 0.00005 -0.00028 0.00036 0.00038 125 4ZZ 0.00056 -0.00012 -0.00126 -0.00019 0.00062 126 4XY -0.00007 0.00076 -0.00039 0.00043 0.00010 127 4XZ -0.00025 -0.00009 -0.00014 -0.00026 -0.00040 128 4YZ -0.00018 0.00018 -0.00033 0.00119 0.00022 129 13 C 1S 0.00291 0.00504 0.00171 0.00135 0.00388 130 2S -0.00666 -0.01265 -0.00175 -0.00214 -0.00965 131 2PX 0.01563 0.00602 0.01170 -0.02295 0.00580 132 2PY 0.00254 0.00777 -0.00197 0.00875 -0.00777 133 2PZ 0.00200 -0.01040 0.00275 -0.01907 -0.00870 134 3S -0.00012 -0.02680 -0.01249 -0.03183 0.00325 135 3PX 0.00885 -0.01253 0.01094 -0.02535 0.00164 136 3PY 0.00114 0.00130 -0.00159 0.00026 0.00059 137 3PZ 0.00612 0.00399 -0.00073 -0.01375 -0.00178 138 4XX 0.00152 0.00360 0.00099 0.00137 0.00045 139 4YY -0.00044 -0.00203 0.00009 -0.00126 0.00066 140 4ZZ -0.00077 -0.00124 -0.00036 0.00121 -0.00046 141 4XY 0.00060 0.00059 0.00055 -0.00007 0.00067 142 4XZ -0.00001 0.00175 -0.00019 0.00173 -0.00073 143 4YZ 0.00033 0.00066 0.00006 0.00002 -0.00040 144 14 C 1S -0.00219 -0.00195 -0.00124 0.00113 0.00498 145 2S 0.00558 0.00563 0.00377 -0.00609 0.00632 146 2PX -0.00009 0.00830 -0.00125 0.00477 -0.01329 147 2PY -0.00341 -0.00271 -0.00122 0.00076 0.00835 148 2PZ 0.00790 0.01455 0.00408 -0.00121 -0.01097 149 3S -0.00454 0.01583 -0.00637 0.02229 -0.00849 150 3PX 0.00545 0.00626 0.00302 -0.00736 -0.00350 151 3PY -0.00595 -0.00914 -0.00436 0.00508 -0.00318 152 3PZ 0.00292 0.01849 0.00062 0.00973 -0.01049 153 4XX -0.00049 -0.00018 -0.00055 0.00092 -0.00048 154 4YY 0.00014 0.00016 0.00007 -0.00060 0.00062 155 4ZZ 0.00056 0.00039 0.00027 -0.00065 -0.00021 156 4XY -0.00032 -0.00004 -0.00028 0.00088 -0.00024 157 4XZ -0.00041 -0.00068 -0.00034 0.00060 0.00008 158 4YZ -0.00036 0.00001 -0.00046 0.00139 -0.00095 159 15 C 1S 0.00053 0.00015 -0.00020 0.00065 -0.00349 160 2S -0.00175 -0.00039 -0.00138 -0.00071 -0.00006 161 2PX -0.00613 -0.00113 -0.00794 0.02108 -0.00855 162 2PY -0.00087 -0.00084 -0.00209 0.00366 -0.01234 163 2PZ -0.00788 0.00176 -0.00975 0.02453 -0.02246 164 3S 0.00575 0.00490 0.01296 -0.01207 0.00875 165 3PX -0.00882 -0.00493 -0.01369 0.02211 -0.01254 166 3PY -0.00464 -0.00493 -0.00706 0.00885 -0.01050 167 3PZ -0.00342 -0.00107 -0.00290 0.01180 -0.01213 168 4XX 0.00039 0.00011 0.00036 -0.00072 0.00006 169 4YY 0.00002 0.00017 -0.00005 -0.00014 0.00026 170 4ZZ -0.00022 -0.00005 -0.00041 0.00072 -0.00028 171 4XY -0.00004 -0.00048 -0.00003 -0.00004 0.00078 172 4XZ -0.00008 0.00006 -0.00023 0.00026 -0.00006 173 4YZ -0.00061 -0.00076 -0.00046 0.00046 0.00003 174 16 C 1S -0.00120 0.00080 -0.00124 0.00310 -0.00158 175 2S 0.00285 0.00142 0.00433 -0.00735 0.00600 176 2PX -0.01021 -0.00147 -0.01044 0.02074 -0.01740 177 2PY -0.00432 0.00079 -0.00491 0.00873 -0.00717 178 2PZ -0.00746 -0.00417 -0.00707 0.01612 0.00617 179 3S -0.00031 -0.01433 -0.00282 -0.00300 0.00526 180 3PX -0.00941 -0.00069 -0.01262 0.01882 -0.00968 181 3PY 0.00189 0.01152 0.00821 0.00303 -0.00125 182 3PZ -0.00671 -0.00639 -0.00386 0.01383 0.00081 183 4XX -0.00055 0.00023 -0.00048 0.00140 -0.00164 184 4YY -0.00020 -0.00020 0.00012 -0.00015 0.00012 185 4ZZ 0.00055 0.00088 0.00081 -0.00069 0.00103 186 4XY -0.00031 -0.00052 -0.00018 -0.00016 -0.00012 187 4XZ 0.00012 0.00022 0.00004 0.00114 -0.00036 188 4YZ -0.00034 -0.00016 -0.00031 0.00025 -0.00045 189 17 H 1S -0.00487 -0.01381 -0.00090 -0.00776 0.00175 190 2S -0.00688 -0.00427 0.00509 0.00805 0.00170 191 18 H 1S 0.00008 0.00132 -0.00042 0.00062 -0.00346 192 2S -0.00264 -0.00177 -0.00296 0.00597 -0.00722 193 19 H 1S 0.00076 -0.00097 0.00055 -0.00111 0.00182 194 2S 0.00427 0.00227 0.00492 -0.00568 0.00505 195 20 H 1S -0.00211 -0.00090 -0.00202 0.00250 0.00049 196 2S -0.00499 -0.00407 -0.00690 0.00103 -0.00208 197 21 C 1S 0.00190 0.00290 0.00115 0.00352 -0.00143 198 2S -0.00328 -0.00736 -0.00249 -0.00935 0.00174 199 2PX 0.01031 0.00847 0.00757 0.01036 -0.00015 200 2PY 0.00517 0.00850 0.00590 -0.00233 0.02146 201 2PZ 0.00175 0.00937 0.00000 0.00452 0.00061 202 3S -0.00260 -0.00399 0.00725 -0.00962 0.00064 203 3PX 0.00688 0.01476 0.00765 0.01109 0.00048 204 3PY 0.00539 0.01124 -0.00088 -0.00688 0.01230 205 3PZ 0.00234 -0.00311 0.00145 -0.00593 0.00647 206 4XX 0.00012 0.00047 0.00004 0.00001 -0.00001 207 4YY -0.00011 -0.00074 0.00017 -0.00029 0.00020 208 4ZZ 0.00040 0.00064 0.00030 0.00018 0.00013 209 4XY -0.00018 0.00032 -0.00014 0.00138 0.00055 210 4XZ 0.00056 0.00092 0.00039 0.00129 0.00010 211 4YZ -0.00067 -0.00041 -0.00043 0.00113 -0.00104 212 22 H 1S -0.00555 -0.00414 -0.00423 -0.00531 0.00026 213 2S -0.00548 0.00643 -0.00387 0.00516 -0.00408 214 23 H 1S 0.00419 0.00748 0.00264 0.00531 0.00064 215 2S 0.00267 0.00926 -0.00019 0.01089 -0.00374 41 42 43 44 45 41 3PX 0.04066 42 3PY 0.00235 0.03597 43 3PZ 0.02830 0.00080 0.06508 44 4XX -0.00138 -0.00512 -0.00032 0.00216 45 4YY 0.00132 0.00312 0.00094 -0.00121 0.00226 46 4ZZ -0.00080 -0.00474 -0.00101 0.00096 -0.00070 47 4XY -0.00499 -0.00055 -0.00220 0.00031 -0.00005 48 4XZ -0.00045 -0.00010 -0.00093 -0.00018 0.00055 49 4YZ -0.00195 0.00034 -0.00669 -0.00020 -0.00005 50 6 C 1S 0.00831 0.01167 -0.00553 -0.00335 0.00102 51 2S 0.00204 0.00243 0.00370 0.00494 -0.00259 52 2PX 0.00043 -0.04375 0.03084 0.00727 0.00115 53 2PY -0.01552 0.02768 0.00489 -0.00795 0.01302 54 2PZ 0.02880 0.02110 0.02275 0.00620 -0.00256 55 3S -0.01466 -0.03226 0.00647 0.01428 -0.00718 56 3PX 0.00581 -0.00951 0.01867 0.00335 0.00023 57 3PY -0.01071 0.00583 -0.00173 -0.00142 0.00239 58 3PZ 0.00696 -0.00581 0.00788 0.00731 -0.00309 59 4XX -0.00135 0.00146 -0.00264 -0.00008 -0.00028 60 4YY 0.00046 0.00088 0.00032 -0.00053 0.00072 61 4ZZ 0.00088 -0.00194 0.00247 0.00013 -0.00019 62 4XY 0.00144 0.00162 -0.00174 -0.00011 -0.00008 63 4XZ -0.00096 -0.00053 -0.00120 -0.00011 0.00038 64 4YZ -0.00260 -0.00237 -0.00104 0.00040 -0.00014 65 7 H 1S -0.01058 -0.02963 0.00257 0.00369 -0.00366 66 2S -0.01111 -0.02479 -0.00027 0.00222 -0.00283 67 8 C 1S 0.00024 -0.01099 -0.00338 0.00038 -0.00186 68 2S -0.00576 0.01205 0.00789 -0.00114 0.00381 69 2PX 0.02119 -0.01274 -0.00667 0.00573 -0.00199 70 2PY 0.00859 -0.02033 -0.00114 0.00500 -0.00970 71 2PZ -0.01715 -0.00726 0.01116 0.00420 -0.00013 72 3S -0.00532 0.02353 0.02168 -0.00318 0.00455 73 3PX 0.01027 -0.01113 -0.00910 0.00370 -0.00080 74 3PY -0.00524 -0.01084 0.00255 0.00466 -0.00470 75 3PZ -0.00663 -0.00238 0.00672 0.00288 -0.00098 76 4XX -0.00011 -0.00035 -0.00059 -0.00005 -0.00017 77 4YY 0.00006 0.00027 -0.00002 0.00006 0.00012 78 4ZZ 0.00086 -0.00099 -0.00041 0.00008 -0.00027 79 4XY 0.00043 0.00174 -0.00129 -0.00027 0.00000 80 4XZ -0.00045 0.00025 -0.00037 -0.00009 0.00013 81 4YZ -0.00175 -0.00079 -0.00060 -0.00026 0.00013 82 9 H 1S 0.01629 0.00020 -0.00424 0.00110 -0.00238 83 2S 0.01921 -0.00009 -0.00688 0.00110 -0.00297 84 10 C 1S 0.00058 0.01661 0.00134 -0.00036 -0.00033 85 2S -0.00056 -0.02202 -0.00055 0.00059 -0.00019 86 2PX -0.01348 0.00289 0.00524 -0.00023 -0.00052 87 2PY 0.00049 -0.00781 -0.00303 0.00004 0.00149 88 2PZ 0.00442 -0.01086 -0.00778 0.00076 -0.00074 89 3S -0.00352 -0.02836 -0.00755 0.00119 -0.00084 90 3PX 0.00296 -0.00167 -0.00436 -0.00036 0.00015 91 3PY 0.00167 0.00432 0.00478 -0.00027 -0.00127 92 3PZ -0.00436 -0.00478 0.00168 0.00077 -0.00034 93 4XX -0.00036 0.00027 0.00077 0.00044 -0.00031 94 4YY 0.00015 0.00127 -0.00034 -0.00031 0.00059 95 4ZZ 0.00038 0.00072 -0.00004 -0.00027 -0.00018 96 4XY 0.00307 -0.00008 -0.00229 0.00014 -0.00001 97 4XZ -0.00011 0.00007 -0.00008 0.00004 0.00011 98 4YZ -0.00244 0.00086 0.00132 -0.00004 0.00006 99 11 O 1S 0.00045 -0.00298 0.00021 0.00574 -0.01313 100 2S 0.00113 0.03149 -0.00026 -0.01260 0.02427 101 2PX 0.11643 0.01410 0.04579 -0.00987 0.00584 102 2PY -0.00402 0.05491 -0.01283 -0.01970 0.00717 103 2PZ 0.04634 0.00678 0.15490 -0.00105 0.00382 104 3S 0.00394 0.03498 0.00488 -0.01077 0.02861 105 3PX 0.07447 0.01014 0.02806 -0.00667 0.00394 106 3PY -0.00243 0.03093 -0.00710 -0.01033 0.00361 107 3PZ 0.02818 0.00473 0.09751 -0.00054 0.00258 108 4XX 0.00063 -0.00258 0.00009 0.00059 -0.00063 109 4YY -0.00108 0.00374 -0.00181 -0.00115 -0.00004 110 4ZZ -0.00003 -0.00228 0.00088 0.00046 -0.00050 111 4XY 0.00720 0.00077 0.00340 -0.00050 0.00031 112 4XZ 0.00091 0.00052 0.00121 -0.00015 0.00025 113 4YZ 0.00340 0.00063 0.01001 -0.00017 0.00023 114 12 O 1S -0.00010 -0.00182 -0.00013 0.00011 -0.00037 115 2S 0.00022 -0.00103 -0.00041 -0.00033 0.00117 116 2PX 0.02941 -0.00238 -0.02446 0.00038 0.00080 117 2PY 0.00052 0.01806 0.00298 0.00051 -0.00251 118 2PZ -0.02346 0.00101 0.01508 0.00012 0.00092 119 3S -0.00011 0.00895 -0.00083 -0.00044 0.00210 120 3PX 0.02137 -0.00090 -0.01761 0.00029 0.00062 121 3PY 0.00048 0.00759 0.00140 0.00043 -0.00175 122 3PZ -0.01669 0.00254 0.01083 -0.00008 0.00078 123 4XX 0.00012 0.00016 -0.00005 0.00002 -0.00008 124 4YY 0.00001 -0.00173 -0.00011 0.00001 0.00005 125 4ZZ -0.00014 0.00021 0.00008 -0.00006 -0.00005 126 4XY -0.00077 0.00017 0.00089 -0.00002 -0.00002 127 4XZ -0.00001 0.00004 -0.00008 -0.00001 0.00006 128 4YZ 0.00086 0.00037 -0.00029 -0.00003 -0.00002 129 13 C 1S 0.00155 0.00137 0.00324 -0.00072 -0.00005 130 2S -0.00923 -0.00999 -0.00500 0.00069 -0.00011 131 2PX 0.00139 0.02081 -0.00652 -0.00499 0.00236 132 2PY 0.00454 -0.00169 0.00256 -0.00018 -0.00016 133 2PZ -0.00455 -0.01380 -0.00212 -0.00423 0.00095 134 3S -0.01674 -0.00368 -0.02074 0.00060 0.00008 135 3PX -0.00539 0.00850 -0.01175 -0.00304 0.00113 136 3PY 0.00374 0.00422 -0.00167 -0.00101 0.00117 137 3PZ -0.00143 -0.00399 0.00002 -0.00296 0.00074 138 4XX 0.00116 0.00033 0.00153 0.00018 -0.00009 139 4YY -0.00048 -0.00030 -0.00089 -0.00015 0.00005 140 4ZZ -0.00012 0.00013 0.00001 0.00010 -0.00006 141 4XY 0.00026 0.00047 0.00005 -0.00005 -0.00002 142 4XZ 0.00058 -0.00073 0.00108 0.00031 -0.00012 143 4YZ 0.00008 -0.00050 0.00038 -0.00005 -0.00004 144 14 C 1S 0.00131 0.00061 -0.00138 0.00024 -0.00013 145 2S 0.00279 0.00702 -0.00232 -0.00090 0.00042 146 2PX 0.00193 -0.01779 0.01256 0.00132 -0.00088 147 2PY 0.00608 -0.00295 -0.00112 0.00028 -0.00056 148 2PZ 0.00278 0.00014 0.00714 0.00047 0.00018 149 3S 0.00636 -0.00087 0.01482 0.00038 -0.00004 150 3PX 0.00124 -0.00621 0.00165 0.00072 -0.00026 151 3PY -0.00040 -0.00441 0.00012 0.00041 -0.00039 152 3PZ 0.00531 -0.00506 0.01196 0.00107 -0.00024 153 4XX -0.00024 -0.00033 0.00002 0.00023 -0.00007 154 4YY 0.00009 -0.00004 -0.00001 -0.00006 0.00001 155 4ZZ -0.00006 -0.00013 0.00004 -0.00018 0.00006 156 4XY 0.00006 0.00003 0.00036 0.00019 -0.00004 157 4XZ 0.00009 -0.00006 0.00002 0.00013 -0.00005 158 4YZ -0.00008 -0.00078 0.00091 0.00019 -0.00010 159 15 C 1S -0.00179 -0.00058 0.00012 0.00003 0.00005 160 2S 0.00035 -0.00033 0.00175 -0.00025 -0.00009 161 2PX 0.00460 -0.00696 0.01033 0.00324 -0.00076 162 2PY -0.00713 -0.00052 0.00329 0.00021 0.00022 163 2PZ -0.00268 -0.01115 0.01953 0.00344 -0.00129 164 3S 0.00024 0.00220 -0.00240 0.00011 -0.00066 165 3PX 0.00146 -0.00761 0.01070 0.00267 -0.00046 166 3PY -0.00356 -0.00230 0.00448 0.00026 0.00020 167 3PZ -0.00195 -0.00698 0.00911 0.00289 -0.00120 168 4XX -0.00015 -0.00008 -0.00048 -0.00001 0.00001 169 4YY 0.00022 0.00031 -0.00010 -0.00004 0.00002 170 4ZZ 0.00000 0.00005 0.00038 0.00000 0.00002 171 4XY 0.00016 0.00069 -0.00063 -0.00006 0.00005 172 4XZ 0.00020 -0.00018 -0.00004 0.00007 -0.00002 173 4YZ -0.00029 0.00003 0.00003 0.00000 -0.00001 174 16 C 1S 0.00117 -0.00182 0.00067 0.00057 0.00008 175 2S -0.00093 0.00563 -0.00123 -0.00098 0.00019 176 2PX -0.00523 -0.00365 0.01495 0.00081 -0.00040 177 2PY -0.00145 0.00156 0.00599 0.00036 -0.00025 178 2PZ 0.00552 0.00606 0.00566 0.00043 0.00029 179 3S -0.00541 0.00367 -0.00125 -0.00146 0.00080 180 3PX -0.00099 -0.00209 0.00983 0.00108 -0.00014 181 3PY 0.00135 -0.00127 0.00394 0.00051 -0.00093 182 3PZ 0.00038 0.00238 0.00521 0.00027 0.00007 183 4XX -0.00014 -0.00108 0.00098 0.00029 -0.00011 184 4YY 0.00013 0.00005 -0.00024 -0.00012 0.00003 185 4ZZ 0.00038 0.00044 -0.00058 -0.00001 -0.00002 186 4XY -0.00011 -0.00010 -0.00034 0.00002 0.00005 187 4XZ 0.00019 -0.00043 0.00036 0.00025 -0.00009 188 4YZ -0.00009 -0.00001 0.00004 0.00001 0.00001 189 17 H 1S -0.00629 -0.00521 -0.00466 -0.00024 0.00019 190 2S 0.00546 0.00142 0.00173 -0.00174 0.00173 191 18 H 1S -0.00168 -0.00406 0.00239 -0.00018 -0.00006 192 2S -0.00232 -0.00711 0.00421 0.00005 -0.00026 193 19 H 1S 0.00066 0.00245 -0.00222 -0.00022 0.00031 194 2S 0.00141 0.00405 -0.00455 -0.00039 0.00025 195 20 H 1S 0.00026 0.00392 0.00178 -0.00047 0.00012 196 2S 0.00198 0.00356 -0.00076 -0.00041 0.00054 197 21 C 1S -0.00070 0.00158 0.00234 0.00023 -0.00016 198 2S -0.00106 -0.00346 -0.00481 -0.00092 0.00021 199 2PX 0.00114 0.00743 0.00349 0.00000 -0.00007 200 2PY 0.00762 0.01773 -0.00259 0.00032 0.00045 201 2PZ 0.00063 0.01070 0.00516 0.00127 -0.00038 202 3S 0.00028 -0.00518 -0.00379 0.00031 -0.00073 203 3PX 0.00507 0.00266 0.00583 -0.00042 -0.00033 204 3PY 0.00484 0.00935 -0.00268 0.00013 0.00033 205 3PZ -0.00121 0.00899 -0.00233 0.00010 0.00036 206 4XX 0.00011 0.00025 0.00044 -0.00003 0.00000 207 4YY -0.00017 -0.00027 -0.00025 -0.00011 0.00002 208 4ZZ -0.00002 0.00037 -0.00012 0.00017 -0.00005 209 4XY 0.00023 0.00017 0.00061 0.00017 -0.00007 210 4XZ 0.00019 0.00045 0.00043 0.00022 -0.00005 211 4YZ -0.00029 -0.00082 0.00038 0.00013 -0.00006 212 22 H 1S 0.00015 -0.00282 -0.00113 -0.00072 0.00011 213 2S 0.00324 -0.00435 0.00374 -0.00169 -0.00015 214 23 H 1S 0.00069 0.00670 0.00259 0.00113 -0.00039 215 2S 0.00039 0.00330 0.00431 0.00259 -0.00076 46 47 48 49 50 46 4ZZ 0.00175 47 4XY -0.00041 0.00399 48 4XZ -0.00030 0.00030 0.00058 49 4YZ 0.00019 -0.00133 0.00020 0.00308 50 6 C 1S -0.00038 -0.00616 0.00314 0.00441 2.05570 51 2S -0.00066 0.01145 -0.00548 -0.00839 -0.05924 52 2PX 0.00048 -0.00962 0.00265 0.01350 0.00145 53 2PY -0.00147 -0.00448 0.00533 0.00320 0.00313 54 2PZ -0.00968 0.01227 0.00498 0.00092 0.00509 55 3S 0.00110 0.02904 -0.00489 -0.01823 -0.23487 56 3PX -0.00265 -0.00486 0.00182 0.00918 0.00487 57 3PY 0.00105 0.00057 0.00105 -0.00088 -0.00428 58 3PZ -0.00352 0.00827 0.00290 0.00295 -0.01642 59 4XX -0.00012 -0.00005 0.00000 0.00028 -0.01342 60 4YY -0.00025 -0.00030 0.00026 0.00018 -0.01639 61 4ZZ 0.00021 -0.00047 -0.00011 0.00015 -0.01493 62 4XY -0.00050 0.00044 0.00006 0.00016 -0.00011 63 4XZ -0.00010 0.00003 0.00047 0.00031 0.00417 64 4YZ 0.00038 -0.00012 -0.00016 0.00034 -0.00260 65 7 H 1S 0.00529 -0.00326 -0.00554 -0.00078 -0.06124 66 2S 0.00593 -0.00818 -0.00383 0.00403 -0.01187 67 8 C 1S 0.00066 -0.00031 -0.00053 -0.00045 0.01663 68 2S -0.00133 0.00072 0.00124 0.00067 -0.03553 69 2PX -0.00240 0.00100 0.00128 0.00593 -0.00953 70 2PY 0.00135 -0.00199 -0.00118 0.00267 0.07730 71 2PZ -0.00262 0.00157 0.00100 0.00411 -0.00965 72 3S -0.00335 -0.00693 0.00256 0.00723 0.03073 73 3PX -0.00154 0.00067 0.00083 0.00452 -0.01309 74 3PY 0.00024 0.00549 -0.00067 -0.00238 -0.00315 75 3PZ -0.00159 0.00086 0.00040 0.00344 0.00212 76 4XX 0.00008 -0.00015 -0.00008 -0.00020 0.00280 77 4YY -0.00004 0.00025 -0.00010 -0.00017 -0.00643 78 4ZZ 0.00007 0.00002 -0.00002 0.00012 0.00232 79 4XY 0.00001 0.00032 -0.00009 -0.00054 -0.00037 80 4XZ -0.00001 -0.00001 -0.00003 -0.00016 -0.00067 81 4YZ 0.00034 -0.00047 -0.00022 -0.00014 -0.00047 82 9 H 1S -0.00005 0.00076 0.00023 0.00039 0.01197 83 2S 0.00016 0.00235 -0.00010 -0.00064 0.01510 84 10 C 1S -0.00057 0.00000 -0.00011 0.00019 -0.00341 85 2S 0.00068 0.00005 -0.00003 -0.00012 0.00908 86 2PX 0.00073 -0.00175 -0.00036 0.00235 0.00899 87 2PY 0.00006 0.00017 0.00019 0.00067 -0.00946 88 2PZ 0.00025 0.00253 0.00002 0.00075 -0.00730 89 3S 0.00168 0.00047 -0.00076 -0.00128 -0.00324 90 3PX 0.00038 -0.00307 -0.00011 0.00244 0.00024 91 3PY -0.00072 -0.00008 -0.00007 0.00086 0.01099 92 3PZ -0.00004 0.00229 -0.00008 -0.00132 -0.00338 93 4XX -0.00027 -0.00014 0.00004 0.00004 0.00038 94 4YY -0.00018 0.00001 0.00011 -0.00006 -0.00186 95 4ZZ 0.00027 0.00021 -0.00008 0.00014 0.00066 96 4XY -0.00021 -0.00021 0.00003 -0.00039 0.00031 97 4XZ -0.00008 -0.00003 0.00001 0.00002 -0.00053 98 4YZ -0.00014 -0.00039 -0.00002 -0.00059 0.00045 99 11 O 1S 0.00484 -0.00186 -0.00151 -0.00129 -0.00282 100 2S -0.01075 0.00389 0.00334 0.00263 0.00573 101 2PX 0.00077 -0.04610 -0.00276 0.01104 0.02875 102 2PY -0.01850 0.00617 0.00391 0.00314 0.01286 103 2PZ -0.00526 0.01139 -0.00290 -0.03894 -0.01870 104 3S -0.00834 0.00265 0.00359 0.00196 0.01054 105 3PX 0.00099 -0.03299 -0.00200 0.00847 0.02226 106 3PY -0.00959 0.00357 0.00230 0.00160 0.00754 107 3PZ -0.00344 0.00876 -0.00196 -0.02730 -0.01415 108 4XX 0.00050 -0.00031 -0.00007 -0.00001 -0.00073 109 4YY -0.00120 0.00047 0.00010 0.00031 -0.00002 110 4ZZ 0.00050 -0.00001 -0.00009 -0.00028 -0.00080 111 4XY -0.00014 -0.00168 -0.00012 0.00003 -0.00012 112 4XZ -0.00014 -0.00011 0.00004 -0.00014 0.00003 113 4YZ -0.00029 0.00004 -0.00018 -0.00172 0.00014 114 12 O 1S 0.00009 -0.00001 0.00004 -0.00003 0.00112 115 2S -0.00009 0.00011 0.00006 0.00016 -0.00244 116 2PX -0.00163 -0.00171 0.00025 -0.00396 -0.00875 117 2PY -0.00055 -0.00062 -0.00041 -0.00086 0.00730 118 2PZ -0.00158 -0.00345 0.00021 -0.00476 0.00893 119 3S -0.00001 -0.00021 0.00024 -0.00032 -0.00776 120 3PX -0.00127 -0.00099 0.00021 -0.00339 -0.00629 121 3PY -0.00035 -0.00033 -0.00032 -0.00055 0.00507 122 3PZ -0.00119 -0.00293 0.00016 -0.00357 0.00720 123 4XX -0.00006 -0.00002 -0.00001 0.00000 0.00016 124 4YY 0.00005 0.00004 0.00001 0.00006 0.00018 125 4ZZ -0.00001 0.00003 -0.00001 0.00002 0.00014 126 4XY 0.00004 0.00011 0.00000 0.00012 -0.00005 127 4XZ -0.00002 -0.00003 0.00001 -0.00004 -0.00019 128 4YZ 0.00006 0.00009 -0.00001 0.00018 -0.00012 129 13 C 1S -0.00006 -0.00032 -0.00062 -0.00055 -0.00219 130 2S 0.00028 0.00044 0.00118 0.00090 0.00171 131 2PX 0.00253 -0.00246 -0.00309 -0.00507 0.00623 132 2PY 0.00022 -0.00022 -0.00033 0.00076 -0.00161 133 2PZ 0.00263 -0.00248 -0.00156 -0.00349 0.00550 134 3S -0.00093 0.00273 0.00185 0.00094 0.01599 135 3PX 0.00222 -0.00126 -0.00220 -0.00259 -0.00175 136 3PY -0.00014 -0.00186 -0.00025 -0.00046 0.00381 137 3PZ 0.00149 0.00033 -0.00119 -0.00350 -0.00314 138 4XX -0.00012 0.00014 -0.00006 -0.00004 -0.00129 139 4YY 0.00009 -0.00008 0.00002 -0.00008 0.00043 140 4ZZ 0.00001 -0.00002 0.00000 0.00019 -0.00073 141 4XY 0.00004 -0.00007 -0.00007 -0.00007 0.00010 142 4XZ -0.00011 0.00014 -0.00001 0.00012 -0.00116 143 4YZ 0.00005 -0.00004 -0.00005 -0.00005 -0.00010 144 14 C 1S -0.00012 0.00013 -0.00007 0.00020 -0.00144 145 2S 0.00004 0.00005 -0.00021 -0.00080 0.00344 146 2PX -0.00046 0.00062 -0.00007 0.00039 -0.00841 147 2PY -0.00033 0.00013 0.00026 0.00029 -0.00051 148 2PZ 0.00021 0.00019 -0.00106 -0.00109 -0.00666 149 3S -0.00059 0.00051 0.00043 -0.00025 -0.00475 150 3PX -0.00031 0.00038 -0.00034 -0.00013 -0.00385 151 3PY -0.00006 -0.00027 0.00039 0.00134 -0.00047 152 3PZ -0.00033 0.00014 -0.00041 -0.00053 -0.00685 153 4XX -0.00010 0.00013 0.00012 0.00024 -0.00048 154 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00006 155 4ZZ 0.00011 -0.00011 -0.00010 -0.00016 -0.00002 156 4XY -0.00009 0.00007 0.00006 0.00016 -0.00032 157 4XZ -0.00005 0.00001 0.00002 0.00013 -0.00047 158 4YZ -0.00009 0.00007 0.00008 0.00026 -0.00050 159 15 C 1S 0.00010 -0.00006 -0.00006 0.00005 -0.00065 160 2S -0.00013 0.00002 0.00020 -0.00017 0.00087 161 2PX -0.00170 0.00108 0.00106 0.00370 -0.00838 162 2PY 0.00018 -0.00005 0.00002 0.00037 -0.00159 163 2PZ -0.00161 0.00124 0.00158 0.00414 -0.00802 164 3S 0.00035 0.00017 -0.00054 -0.00091 0.00403 165 3PX -0.00169 0.00072 0.00134 0.00331 -0.00828 166 3PY -0.00018 -0.00020 0.00035 0.00076 -0.00290 167 3PZ -0.00114 0.00087 0.00093 0.00323 -0.00469 168 4XX 0.00004 -0.00004 -0.00006 -0.00006 -0.00008 169 4YY -0.00001 0.00002 0.00000 -0.00003 -0.00008 170 4ZZ 0.00000 -0.00001 0.00001 0.00006 -0.00022 171 4XY 0.00002 -0.00005 0.00000 0.00000 0.00031 172 4XZ -0.00005 0.00003 0.00003 0.00007 -0.00026 173 4YZ -0.00003 0.00000 0.00009 0.00010 0.00020 174 16 C 1S -0.00023 0.00029 0.00028 0.00058 -0.00138 175 2S 0.00075 -0.00059 -0.00067 -0.00129 0.00437 176 2PX -0.00078 0.00095 0.00160 0.00261 -0.00315 177 2PY -0.00058 0.00068 0.00070 0.00118 -0.00497 178 2PZ -0.00058 0.00043 0.00072 0.00161 -0.00052 179 3S 0.00052 -0.00092 -0.00056 -0.00228 -0.00204 180 3PX -0.00120 0.00134 0.00182 0.00312 -0.00196 181 3PY 0.00055 0.00002 -0.00026 0.00120 0.00255 182 3PZ -0.00010 0.00020 0.00063 0.00200 -0.00021 183 4XX -0.00012 0.00008 0.00011 0.00033 -0.00061 184 4YY 0.00007 -0.00005 -0.00002 -0.00006 0.00000 185 4ZZ 0.00002 0.00000 -0.00005 -0.00008 0.00029 186 4XY -0.00001 0.00000 0.00002 0.00001 -0.00031 187 4XZ -0.00011 0.00007 0.00005 0.00028 -0.00050 188 4YZ -0.00003 0.00002 0.00005 0.00006 -0.00040 189 17 H 1S 0.00026 -0.00030 0.00060 -0.00031 0.00398 190 2S 0.00074 -0.00487 -0.00043 -0.00126 0.00633 191 18 H 1S -0.00004 0.00008 0.00021 0.00020 0.00115 192 2S 0.00008 -0.00031 0.00028 0.00078 0.00003 193 19 H 1S 0.00011 -0.00018 -0.00028 -0.00030 0.00034 194 2S 0.00040 -0.00017 -0.00061 -0.00066 0.00157 195 20 H 1S 0.00003 0.00005 0.00012 -0.00001 -0.00110 196 2S -0.00067 0.00007 0.00063 -0.00041 -0.00273 197 21 C 1S -0.00013 0.00029 -0.00014 0.00031 -0.00249 198 2S 0.00056 -0.00075 0.00007 -0.00101 0.00450 199 2PX 0.00013 0.00021 -0.00131 0.00052 -0.00323 200 2PY -0.00046 0.00042 -0.00068 -0.00111 0.00092 201 2PZ -0.00138 0.00093 0.00022 0.00054 -0.00610 202 3S 0.00039 -0.00217 -0.00022 -0.00106 0.00837 203 3PX 0.00083 -0.00034 -0.00114 0.00031 -0.00299 204 3PY -0.00067 0.00123 -0.00008 -0.00091 0.00112 205 3PZ -0.00104 -0.00082 -0.00007 -0.00184 -0.00300 206 4XX -0.00001 0.00000 0.00001 -0.00005 -0.00038 207 4YY 0.00010 -0.00008 -0.00004 -0.00006 0.00016 208 4ZZ -0.00010 0.00010 0.00001 0.00008 -0.00054 209 4XY -0.00012 0.00011 0.00010 0.00018 -0.00015 210 4XZ -0.00016 0.00016 0.00002 0.00018 -0.00088 211 4YZ -0.00006 0.00008 0.00012 0.00020 -0.00027 212 22 H 1S 0.00042 -0.00026 0.00059 -0.00023 0.00274 213 2S 0.00207 0.00072 -0.00003 0.00145 0.00137 214 23 H 1S -0.00092 0.00080 -0.00013 0.00076 -0.00434 215 2S -0.00160 0.00217 0.00052 0.00263 -0.00624 51 52 53 54 55 51 2S 0.31847 52 2PX -0.00603 0.36791 53 2PY 0.00004 0.00064 0.42070 54 2PZ -0.01187 -0.04034 0.01215 0.37981 55 3S 0.34193 -0.02016 -0.08049 0.05803 0.55077 56 3PX 0.00053 0.20172 0.00184 0.02939 -0.01593 57 3PY -0.00180 -0.01374 0.12904 -0.01196 0.01135 58 3PZ 0.00749 0.03534 -0.01924 0.20401 0.07121 59 4XX -0.00942 -0.00694 -0.00696 0.00255 -0.00827 60 4YY -0.00198 0.00184 0.01326 -0.00063 -0.00616 61 4ZZ -0.00559 0.00818 -0.01015 -0.00506 -0.00366 62 4XY 0.00025 -0.00529 -0.00320 0.01098 0.00171 63 4XZ -0.00847 0.00180 0.00834 0.00361 -0.00907 64 4YZ 0.00512 0.01088 -0.00333 -0.00928 0.00632 65 7 H 1S 0.11770 0.12226 -0.13332 -0.19798 0.11828 66 2S 0.02691 0.10878 -0.09888 -0.16590 0.00422 67 8 C 1S -0.03553 -0.00953 -0.07730 -0.00964 0.03073 68 2S 0.06349 0.01871 0.15687 0.01634 -0.01015 69 2PX 0.01871 0.12646 -0.01472 0.09033 0.05251 70 2PY -0.15687 0.01471 -0.31983 0.01355 -0.13512 71 2PZ 0.01634 0.09033 -0.01355 0.09992 0.04785 72 3S -0.01015 0.05252 0.13512 0.04785 -0.17859 73 3PX 0.01711 0.07923 -0.01034 0.06045 0.04615 74 3PY -0.01427 0.00252 -0.11218 0.03019 0.04964 75 3PZ 0.00543 0.06691 -0.02380 0.06418 0.01465 76 4XX -0.00612 -0.00339 -0.00892 -0.00297 -0.00513 77 4YY 0.01084 0.00022 0.00633 -0.00017 0.01281 78 4ZZ -0.00554 0.00072 -0.00970 -0.00020 -0.00403 79 4XY 0.00087 -0.01257 0.00226 -0.00001 0.00039 80 4XZ 0.00140 -0.00142 0.00213 -0.00133 0.00254 81 4YZ 0.00069 -0.00004 -0.00074 -0.01332 -0.00015 82 9 H 1S -0.02568 -0.00897 -0.03919 0.01495 -0.04656 83 2S -0.02813 -0.02641 -0.06258 0.02568 -0.02069 84 10 C 1S 0.00781 -0.00169 0.01402 0.00455 -0.00945 85 2S -0.01886 0.00917 -0.03691 -0.00798 -0.00356 86 2PX -0.02203 0.01367 -0.03561 -0.01233 -0.02400 87 2PY 0.02431 -0.00258 0.03579 0.01033 0.06830 88 2PZ 0.01538 0.01198 0.00715 0.01886 0.03572 89 3S -0.01172 0.00910 -0.05738 -0.03944 0.01399 90 3PX -0.00576 0.02119 -0.00859 -0.01715 -0.00532 91 3PY -0.01205 0.01274 -0.02033 0.00726 -0.02353 92 3PZ 0.00789 -0.00667 0.00114 0.01116 0.02168 93 4XX -0.00114 0.00573 -0.00500 0.00420 -0.00318 94 4YY 0.00381 -0.00199 0.00970 -0.00013 0.00455 95 4ZZ -0.00133 -0.00240 -0.00135 -0.00262 -0.00335 96 4XY -0.00072 -0.00100 -0.00199 -0.00157 0.00693 97 4XZ 0.00124 0.00128 0.00118 0.00100 0.00256 98 4YZ -0.00067 -0.00593 0.00267 -0.00411 -0.00723 99 11 O 1S 0.00538 -0.00269 -0.01047 0.00110 0.00337 100 2S -0.01244 0.00991 0.02305 -0.00482 -0.02107 101 2PX -0.04842 0.03561 0.06770 -0.06075 -0.28919 102 2PY -0.02094 0.03200 0.03673 -0.01486 -0.10734 103 2PZ 0.03915 -0.05631 -0.03709 -0.01522 0.15039 104 3S -0.00577 -0.00904 0.06021 0.00908 -0.00502 105 3PX -0.04014 0.02836 0.05880 -0.05468 -0.21149 106 3PY -0.00936 0.01419 0.03124 -0.00269 -0.05570 107 3PZ 0.03116 -0.05524 -0.03008 -0.01596 0.11143 108 4XX 0.00007 0.00144 -0.00219 0.00019 0.00121 109 4YY -0.00077 0.00027 -0.00142 -0.00038 -0.00603 110 4ZZ -0.00001 0.00054 -0.00128 -0.00166 0.00257 111 4XY 0.00047 -0.00192 -0.00084 0.00157 -0.00854 112 4XZ -0.00022 -0.00008 0.00114 0.00063 -0.00084 113 4YZ 0.00014 0.00204 0.00025 -0.00108 0.00306 114 12 O 1S -0.00269 0.00134 -0.00581 -0.00050 -0.00207 115 2S 0.00561 -0.00155 0.01227 0.00035 0.01151 116 2PX 0.01347 -0.01938 0.04402 -0.01401 0.11916 117 2PY -0.01951 -0.00014 -0.03258 -0.00567 -0.06339 118 2PZ -0.01486 -0.04296 -0.00419 -0.02966 -0.07724 119 3S 0.01514 -0.01519 0.04220 0.00505 0.01117 120 3PX 0.01109 -0.02014 0.03629 -0.00810 0.08488 121 3PY -0.01375 0.00266 -0.02808 -0.00590 -0.03586 122 3PZ -0.01269 -0.03288 -0.00289 -0.02552 -0.06077 123 4XX -0.00068 0.00101 -0.00181 -0.00015 -0.00076 124 4YY -0.00001 0.00067 -0.00068 0.00003 0.00265 125 4ZZ -0.00062 0.00012 -0.00110 -0.00069 -0.00197 126 4XY 0.00014 0.00073 -0.00054 0.00089 -0.00452 127 4XZ 0.00035 -0.00026 0.00081 -0.00026 0.00057 128 4YZ 0.00013 0.00159 -0.00025 0.00090 0.00187 129 13 C 1S 0.00203 -0.00550 -0.00058 -0.00731 0.01382 130 2S -0.01398 0.00685 0.00215 0.01154 0.00283 131 2PX -0.00577 -0.09400 0.01782 -0.08418 -0.01791 132 2PY -0.00146 0.01402 -0.01101 0.01057 0.01924 133 2PZ -0.00901 -0.07591 0.01524 -0.09387 0.00294 134 3S -0.01073 -0.00311 0.01239 0.01790 -0.00436 135 3PX 0.00447 -0.05779 0.01569 -0.06835 -0.00234 136 3PY 0.00250 -0.00799 0.01863 -0.00622 -0.00873 137 3PZ 0.00128 -0.05632 0.00853 -0.05215 0.01416 138 4XX 0.00225 0.00173 -0.00209 0.00414 0.00430 139 4YY -0.00208 -0.00353 0.00136 -0.00324 -0.00466 140 4ZZ 0.00042 0.00380 -0.00071 0.00031 0.00026 141 4XY -0.00034 -0.00145 -0.00104 -0.00123 -0.00070 142 4XZ 0.00307 0.00573 -0.00240 0.00370 0.00475 143 4YZ -0.00021 -0.00087 -0.00149 -0.00138 0.00120 144 14 C 1S 0.00204 0.00497 -0.00109 -0.00045 0.00163 145 2S -0.00522 -0.02040 0.00484 0.00009 -0.01160 146 2PX 0.01939 0.01890 -0.01022 -0.00010 0.04472 147 2PY 0.00238 0.00523 -0.00224 -0.00198 -0.00485 148 2PZ 0.01539 -0.00176 -0.00986 -0.00745 0.04558 149 3S -0.00232 0.01647 -0.00697 0.01960 0.01242 150 3PX 0.01480 0.00361 -0.00363 0.00094 0.02823 151 3PY -0.00202 0.01714 -0.00203 -0.00012 -0.00093 152 3PZ 0.01175 0.01415 -0.01546 0.00809 0.03700 153 4XX 0.00017 0.00460 -0.00072 0.00457 0.00094 154 4YY -0.00027 -0.00185 0.00052 -0.00067 -0.00131 155 4ZZ -0.00003 -0.00330 0.00034 -0.00339 0.00041 156 4XY 0.00069 0.00322 -0.00038 0.00259 0.00141 157 4XZ 0.00112 0.00314 -0.00019 0.00085 0.00068 158 4YZ 0.00061 0.00407 -0.00096 0.00285 0.00173 159 15 C 1S 0.00016 0.00211 0.00050 0.00103 0.00336 160 2S -0.00050 -0.00557 0.00086 -0.00422 -0.00405 161 2PX 0.01597 0.06593 -0.00322 0.04620 0.03427 162 2PY 0.00077 0.00743 0.00036 0.00371 0.01498 163 2PZ 0.01638 0.06825 -0.00707 0.04569 0.04233 164 3S 0.00223 -0.01990 -0.01251 -0.00973 -0.00270 165 3PX 0.01167 0.06369 0.00182 0.04066 0.02513 166 3PY 0.00108 0.01666 0.00366 0.00389 0.00926 167 3PZ 0.01116 0.05173 -0.01246 0.03488 0.03002 168 4XX -0.00003 -0.00023 -0.00097 -0.00056 -0.00038 169 4YY 0.00007 -0.00072 0.00053 -0.00006 0.00034 170 4ZZ 0.00024 0.00043 0.00044 -0.00012 -0.00003 171 4XY -0.00080 -0.00067 0.00068 -0.00004 -0.00255 172 4XZ 0.00049 0.00187 0.00021 0.00133 0.00121 173 4YZ -0.00046 0.00069 0.00115 0.00076 -0.00131 174 16 C 1S 0.00253 0.00949 0.00180 0.00909 0.00499 175 2S -0.00366 -0.02429 -0.00626 -0.02179 -0.02606 176 2PX 0.00497 0.02520 0.01756 0.02282 0.02359 177 2PY 0.00682 0.01736 0.01273 0.01634 0.03919 178 2PZ 0.00329 0.01188 0.01603 0.00966 -0.01840 179 3S -0.00498 -0.02385 0.00561 -0.03620 -0.03013 180 3PX 0.00329 0.03415 0.02262 0.04063 0.01035 181 3PY 0.00104 0.00745 -0.01962 0.00690 0.01258 182 3PZ 0.00214 0.01414 0.01360 0.00862 -0.01339 183 4XX 0.00105 0.00574 -0.00133 0.00424 0.00341 184 4YY -0.00032 -0.00179 0.00057 -0.00177 -0.00018 185 4ZZ -0.00014 -0.00093 -0.00060 0.00025 -0.00080 186 4XY 0.00029 0.00060 0.00101 0.00046 -0.00040 187 4XZ 0.00081 0.00515 -0.00091 0.00443 0.00209 188 4YZ 0.00049 0.00108 0.00134 0.00110 0.00129 189 17 H 1S -0.00764 -0.01417 0.01225 -0.01428 -0.01878 190 2S -0.00763 -0.02579 0.02883 -0.03793 -0.04505 191 18 H 1S -0.00235 -0.00183 0.00174 0.00329 -0.00166 192 2S -0.00301 0.00836 -0.00292 0.00051 0.00011 193 19 H 1S -0.00080 -0.00396 0.00080 -0.00263 -0.00254 194 2S -0.00211 -0.01268 -0.00353 -0.00576 -0.00510 195 20 H 1S 0.00190 -0.00345 0.00941 -0.00332 0.00777 196 2S 0.00247 -0.00405 0.02681 0.00272 0.01580 197 21 C 1S 0.00412 0.00644 0.00119 0.00897 0.00984 198 2S -0.01055 -0.01937 -0.00279 -0.02618 -0.02012 199 2PX 0.00794 0.00634 -0.00064 0.01441 0.01281 200 2PY 0.00548 -0.01018 -0.00362 0.00479 -0.04203 201 2PZ 0.01412 0.02266 0.00489 0.02855 0.02887 202 3S -0.01591 -0.01501 -0.02179 -0.02516 -0.01773 203 3PX 0.00317 -0.00043 -0.01578 -0.00254 0.00641 204 3PY 0.00344 -0.00945 -0.00223 0.01222 -0.01403 205 3PZ 0.00400 -0.01009 0.00988 -0.00550 -0.00078 206 4XX 0.00042 -0.00076 -0.00002 -0.00085 0.00093 207 4YY -0.00069 -0.00211 0.00003 -0.00291 -0.00145 208 4ZZ 0.00051 0.00273 -0.00116 0.00379 0.00101 209 4XY 0.00035 0.00275 0.00001 0.00375 -0.00051 210 4XZ 0.00179 0.00433 0.00033 0.00582 0.00285 211 4YZ -0.00013 0.00295 0.00032 0.00285 0.00250 212 22 H 1S -0.00604 -0.01117 0.00133 -0.01883 -0.00997 213 2S -0.00403 -0.00732 -0.00679 -0.02273 -0.00351 214 23 H 1S 0.00904 0.02163 -0.00140 0.02960 0.01794 215 2S 0.01437 0.05338 -0.00332 0.06454 0.03231 56 57 58 59 60 56 3PX 0.12665 57 3PY -0.01127 0.06783 58 3PZ 0.04359 -0.01222 0.13016 59 4XX -0.00319 -0.00109 0.00064 0.00095 60 4YY 0.00122 0.00212 -0.00146 -0.00022 0.00091 61 4ZZ 0.00361 -0.00275 -0.00119 0.00022 -0.00017 62 4XY -0.00106 -0.00161 0.00483 0.00015 -0.00001 63 4XZ 0.00097 0.00240 0.00178 0.00012 0.00031 64 4YZ 0.00448 -0.00137 -0.00268 -0.00037 -0.00011 65 7 H 1S 0.04305 -0.03798 -0.07670 -0.00427 -0.00388 66 2S 0.03775 -0.02833 -0.06535 -0.00150 -0.00311 67 8 C 1S -0.01309 0.00315 0.00212 0.00280 -0.00643 68 2S 0.01711 0.01427 0.00543 -0.00612 0.01084 69 2PX 0.07923 -0.00252 0.06691 -0.00339 0.00022 70 2PY 0.01033 -0.11218 0.02380 0.00892 -0.00633 71 2PZ 0.06045 -0.03019 0.06418 -0.00297 -0.00017 72 3S 0.04615 -0.04964 0.01465 -0.00513 0.01281 73 3PX 0.04911 -0.00377 0.04639 -0.00246 0.00044 74 3PY 0.00377 -0.02297 0.02953 0.00212 -0.00328 75 3PZ 0.04639 -0.02953 0.04105 -0.00215 0.00015 76 4XX -0.00246 -0.00212 -0.00215 0.00044 -0.00035 77 4YY 0.00044 0.00328 0.00015 -0.00035 0.00004 78 4ZZ 0.00003 -0.00266 0.00024 0.00025 -0.00026 79 4XY -0.00739 0.00127 -0.00220 0.00015 0.00000 80 4XZ -0.00123 0.00166 -0.00154 -0.00002 -0.00016 81 4YZ -0.00202 0.00061 -0.00763 -0.00007 -0.00009 82 9 H 1S -0.00112 -0.01778 0.01129 0.00126 0.00198 83 2S -0.01049 -0.01262 0.01515 0.00231 -0.00081 84 10 C 1S 0.00354 0.00138 -0.00339 -0.00021 -0.00053 85 2S 0.00183 -0.01355 0.00363 0.00064 0.00092 86 2PX 0.01022 -0.01499 -0.00471 0.00012 0.00177 87 2PY 0.00004 0.04309 0.00458 -0.00020 -0.00147 88 2PZ -0.00489 0.00466 0.01409 -0.00116 -0.00111 89 3S -0.00799 -0.01650 -0.01070 0.00075 -0.00040 90 3PX 0.01027 0.00524 -0.00664 -0.00011 0.00006 91 3PY 0.01113 -0.01084 0.00238 0.00035 -0.00027 92 3PZ -0.00910 -0.00255 0.00672 -0.00059 -0.00002 93 4XX 0.00370 -0.00466 0.00288 -0.00005 0.00006 94 4YY -0.00080 0.00470 -0.00098 -0.00017 0.00012 95 4ZZ -0.00154 -0.00024 -0.00159 0.00008 -0.00004 96 4XY -0.00067 0.00549 -0.00086 0.00015 -0.00025 97 4XZ 0.00083 0.00067 0.00040 -0.00008 -0.00010 98 4YZ -0.00452 -0.00238 -0.00344 0.00020 0.00017 99 11 O 1S 0.00508 -0.00052 -0.00420 -0.00033 -0.00116 100 2S -0.00521 -0.00472 0.00254 0.00069 0.00262 101 2PX 0.02728 -0.03415 -0.07584 -0.00318 0.00707 102 2PY 0.05634 -0.01946 -0.04540 -0.00060 0.00776 103 2PZ -0.04740 0.01668 -0.03849 -0.00509 -0.00183 104 3S -0.02309 0.01138 0.01445 0.00045 0.00214 105 3PX 0.01927 -0.01808 -0.05878 -0.00192 0.00500 106 3PY 0.02997 -0.00654 -0.02249 -0.00054 0.00436 107 3PZ -0.04331 0.01124 -0.03033 -0.00307 -0.00150 108 4XX 0.00030 -0.00052 0.00084 -0.00006 -0.00012 109 4YY 0.00321 -0.00192 -0.00266 0.00014 0.00033 110 4ZZ -0.00062 0.00052 -0.00031 -0.00008 -0.00013 111 4XY -0.00023 -0.00340 -0.00166 -0.00020 0.00027 112 4XZ 0.00001 0.00016 -0.00006 -0.00004 0.00006 113 4YZ 0.00070 0.00128 -0.00210 -0.00034 -0.00001 114 12 O 1S -0.00179 -0.00302 0.00215 0.00020 0.00018 115 2S 0.00376 0.00952 -0.00319 -0.00040 -0.00022 116 2PX -0.00849 0.10152 -0.01074 -0.00015 0.00025 117 2PY 0.00109 -0.03501 -0.00672 0.00028 0.00030 118 2PZ -0.04437 -0.04145 -0.02304 0.00251 -0.00011 119 3S -0.00309 0.01524 -0.00381 -0.00105 0.00028 120 3PX -0.00974 0.07286 -0.00780 -0.00005 0.00014 121 3PY 0.00193 -0.02165 -0.00464 0.00037 -0.00001 122 3PZ -0.03206 -0.02914 -0.01950 0.00202 -0.00002 123 4XX 0.00061 -0.00064 -0.00006 0.00002 0.00000 124 4YY 0.00025 0.00100 0.00049 0.00004 -0.00004 125 4ZZ -0.00010 -0.00102 -0.00043 0.00003 0.00000 126 4XY 0.00031 -0.00377 0.00054 -0.00002 -0.00003 127 4XZ -0.00025 0.00044 -0.00026 -0.00002 0.00001 128 4YZ 0.00209 0.00124 0.00068 -0.00008 0.00003 129 13 C 1S 0.00214 -0.00408 0.00083 -0.00105 -0.00018 130 2S -0.00357 0.01196 0.00779 0.00174 -0.00109 131 2PX -0.05487 -0.00248 -0.07719 -0.00071 0.00191 132 2PY 0.00742 0.01152 0.01177 0.00089 -0.00182 133 2PZ -0.07226 0.01414 -0.06000 -0.00358 0.00143 134 3S -0.00432 0.01641 0.00596 0.00293 -0.00112 135 3PX -0.03930 0.00220 -0.05620 -0.00136 0.00130 136 3PY -0.00559 0.01046 -0.00928 0.00047 -0.00007 137 3PZ -0.04660 0.00819 -0.03786 -0.00205 0.00093 138 4XX 0.00214 -0.00189 0.00262 -0.00025 0.00004 139 4YY -0.00315 0.00057 -0.00280 0.00007 0.00007 140 4ZZ 0.00258 0.00013 0.00123 0.00008 -0.00005 141 4XY -0.00052 -0.00067 -0.00123 0.00005 0.00002 142 4XZ 0.00385 -0.00166 0.00339 -0.00027 0.00000 143 4YZ -0.00098 -0.00003 -0.00022 -0.00006 -0.00006 144 14 C 1S 0.00867 0.00117 -0.00058 -0.00091 -0.00016 145 2S -0.00980 0.00306 -0.00749 0.00150 0.00012 146 2PX 0.00131 -0.01358 0.01575 -0.00554 0.00147 147 2PY 0.00309 0.00279 -0.00400 -0.00034 0.00009 148 2PZ 0.00314 -0.01752 -0.00987 -0.00389 0.00121 149 3S 0.01149 -0.00141 0.01862 0.00029 -0.00011 150 3PX -0.00081 -0.00871 0.00229 -0.00316 0.00099 151 3PY 0.00869 0.00253 0.00490 -0.00006 -0.00021 152 3PZ 0.00929 -0.01568 0.00777 -0.00326 0.00075 153 4XX 0.00319 -0.00001 0.00360 0.00012 -0.00011 154 4YY -0.00141 -0.00013 -0.00068 -0.00002 0.00007 155 4ZZ -0.00265 0.00023 -0.00232 -0.00012 0.00005 156 4XY 0.00298 -0.00091 0.00178 -0.00009 0.00001 157 4XZ 0.00231 -0.00052 0.00091 -0.00009 0.00003 158 4YZ 0.00244 -0.00075 0.00340 -0.00009 -0.00002 159 15 C 1S -0.00044 -0.00045 0.00299 -0.00022 -0.00016 160 2S -0.00587 -0.00025 -0.00258 0.00033 0.00019 161 2PX 0.05450 -0.01170 0.04042 -0.00326 0.00046 162 2PY 0.00408 -0.00192 0.00937 -0.00019 -0.00032 163 2PZ 0.04383 -0.01988 0.05284 -0.00309 0.00073 164 3S -0.01079 -0.01093 -0.01192 -0.00025 0.00027 165 3PX 0.04502 -0.00701 0.03911 -0.00215 0.00043 166 3PY 0.00868 0.00146 0.00946 -0.00016 -0.00010 167 3PZ 0.03638 -0.01623 0.03657 -0.00208 0.00027 168 4XX -0.00066 -0.00048 -0.00080 -0.00001 -0.00001 169 4YY -0.00006 0.00066 -0.00041 0.00005 -0.00002 170 4ZZ 0.00059 0.00000 0.00038 -0.00001 0.00000 171 4XY 0.00019 0.00071 -0.00079 0.00022 -0.00006 172 4XZ 0.00130 0.00017 0.00105 -0.00007 0.00003 173 4YZ 0.00026 0.00086 0.00102 0.00015 -0.00003 174 16 C 1S 0.00828 0.00116 0.00706 -0.00030 0.00008 175 2S -0.02023 -0.00858 -0.02279 0.00071 -0.00004 176 2PX 0.01785 0.00607 0.03727 0.00033 -0.00010 177 2PY 0.01730 0.01190 0.01643 -0.00050 -0.00007 178 2PZ 0.02271 0.00137 0.00765 0.00042 -0.00024 179 3S -0.02537 -0.00052 -0.03115 0.00082 0.00020 180 3PX 0.02736 0.00683 0.04063 0.00024 0.00010 181 3PY 0.00766 -0.00961 0.00803 -0.00046 -0.00049 182 3PZ 0.01665 -0.00028 0.00951 0.00030 0.00001 183 4XX 0.00381 -0.00158 0.00426 -0.00024 0.00005 184 4YY -0.00131 0.00144 -0.00149 0.00010 -0.00011 185 4ZZ -0.00021 -0.00016 -0.00033 0.00007 0.00001 186 4XY 0.00032 0.00032 0.00002 -0.00003 0.00000 187 4XZ 0.00373 -0.00107 0.00348 -0.00016 0.00006 188 4YZ 0.00051 0.00082 0.00073 0.00000 0.00002 189 17 H 1S -0.01529 0.00150 -0.01249 -0.00008 0.00083 190 2S -0.02283 0.00305 -0.03405 -0.00060 0.00160 191 18 H 1S -0.00697 0.00231 0.00926 0.00012 0.00001 192 2S -0.00246 0.00133 0.01124 -0.00015 -0.00020 193 19 H 1S 0.00146 0.00117 -0.00573 0.00014 -0.00018 194 2S -0.00315 -0.00042 -0.01038 0.00032 -0.00030 195 20 H 1S 0.00045 0.00771 -0.00427 0.00020 -0.00017 196 2S 0.00067 0.02242 0.00057 0.00048 -0.00002 197 21 C 1S 0.00606 -0.00167 0.00794 -0.00047 0.00018 198 2S -0.01874 0.00557 -0.01784 0.00058 -0.00077 199 2PX 0.01111 -0.00422 0.01176 0.00013 0.00050 200 2PY 0.01022 -0.02096 -0.01270 0.00098 0.00062 201 2PZ 0.02986 -0.00885 0.02302 -0.00064 0.00122 202 3S -0.01454 -0.00247 -0.01288 0.00049 -0.00118 203 3PX 0.00280 -0.00718 0.00141 -0.00013 0.00003 204 3PY 0.00430 -0.00883 -0.00174 0.00066 0.00022 205 3PZ -0.00127 0.00305 -0.00671 0.00104 0.00046 206 4XX -0.00016 -0.00040 -0.00039 -0.00007 0.00004 207 4YY -0.00193 0.00049 -0.00207 0.00004 -0.00001 208 4ZZ 0.00224 -0.00067 0.00243 0.00010 -0.00003 209 4XY 0.00249 -0.00041 0.00297 0.00009 -0.00004 210 4XZ 0.00382 -0.00058 0.00407 -0.00007 0.00006 211 4YZ 0.00177 0.00122 0.00294 0.00005 -0.00009 212 22 H 1S -0.01046 0.00295 -0.01267 -0.00019 -0.00026 213 2S -0.00733 -0.00176 -0.01143 -0.00092 -0.00009 214 23 H 1S 0.02352 -0.00640 0.02236 -0.00009 0.00047 215 2S 0.04530 -0.01117 0.04695 -0.00086 0.00056 61 62 63 64 65 61 4ZZ 0.00083 62 4XY -0.00024 0.00099 63 4XZ -0.00012 -0.00009 0.00067 64 4YZ 0.00025 -0.00037 -0.00030 0.00118 65 7 H 1S 0.00628 -0.00624 -0.00724 0.01140 0.21485 66 2S 0.00631 -0.00621 -0.00437 0.00923 0.15501 67 8 C 1S 0.00232 0.00037 -0.00067 0.00047 0.01197 68 2S -0.00554 -0.00087 0.00140 -0.00069 -0.02568 69 2PX 0.00072 0.01257 -0.00142 0.00004 -0.00897 70 2PY 0.00970 0.00226 -0.00213 -0.00074 0.03919 71 2PZ -0.00020 0.00001 -0.00133 0.01332 0.01495 72 3S -0.00403 -0.00039 0.00254 0.00015 -0.04656 73 3PX 0.00003 0.00739 -0.00123 0.00202 -0.00112 74 3PY 0.00266 0.00127 -0.00166 0.00061 0.01778 75 3PZ 0.00024 0.00220 -0.00154 0.00763 0.01129 76 4XX 0.00025 -0.00015 -0.00002 0.00007 0.00126 77 4YY -0.00026 0.00000 -0.00016 0.00009 0.00198 78 4ZZ 0.00037 0.00034 -0.00006 -0.00015 0.00068 79 4XY -0.00034 0.00044 -0.00007 -0.00058 -0.00470 80 4XZ -0.00006 0.00007 -0.00001 0.00019 0.00025 81 4YZ 0.00015 -0.00058 -0.00019 0.00075 0.00775 82 9 H 1S 0.00068 0.00470 0.00025 -0.00775 -0.02269 83 2S 0.00097 0.00490 -0.00013 -0.00713 -0.02486 84 10 C 1S -0.00047 0.00161 -0.00006 -0.00117 -0.00725 85 2S 0.00129 -0.00339 0.00011 0.00241 0.01682 86 2PX 0.00130 -0.00429 -0.00058 0.00579 0.02828 87 2PY -0.00002 0.00438 0.00006 -0.00215 -0.01601 88 2PZ -0.00051 0.00538 -0.00088 -0.00015 -0.00893 89 3S 0.00183 -0.00376 -0.00011 0.00335 0.03884 90 3PX 0.00086 -0.00043 -0.00045 0.00175 0.01629 91 3PY 0.00099 0.00174 -0.00025 -0.00079 -0.00020 92 3PZ -0.00041 0.00129 -0.00037 0.00060 -0.00424 93 4XX 0.00008 0.00027 -0.00009 0.00026 0.00110 94 4YY -0.00027 0.00000 0.00013 -0.00013 -0.00238 95 4ZZ 0.00007 -0.00001 -0.00001 -0.00034 -0.00005 96 4XY -0.00002 0.00032 0.00001 -0.00047 -0.00076 97 4XZ -0.00002 0.00009 -0.00003 0.00022 0.00023 98 4YZ -0.00012 -0.00054 0.00016 -0.00014 -0.00039 99 11 O 1S -0.00001 -0.00036 -0.00003 0.00031 0.00322 100 2S 0.00052 0.00070 0.00048 -0.00048 -0.00599 101 2PX 0.00172 -0.00023 -0.00141 -0.00350 -0.00371 102 2PY -0.00118 0.00542 0.00378 -0.00246 -0.01751 103 2PZ 0.00402 -0.00427 -0.00402 -0.00353 0.02492 104 3S -0.00076 -0.00102 0.00012 -0.00050 -0.02191 105 3PX 0.00112 -0.00089 -0.00072 -0.00191 -0.00066 106 3PY -0.00114 0.00280 0.00224 -0.00141 -0.01529 107 3PZ 0.00218 -0.00270 -0.00279 -0.00246 0.01723 108 4XX 0.00008 -0.00007 -0.00001 0.00006 0.00098 109 4YY -0.00005 0.00050 0.00012 -0.00017 -0.00053 110 4ZZ 0.00011 -0.00016 -0.00003 0.00009 0.00148 111 4XY 0.00004 0.00020 -0.00016 -0.00037 -0.00128 112 4XZ 0.00001 -0.00001 0.00001 -0.00008 -0.00073 113 4YZ 0.00037 -0.00033 -0.00019 -0.00016 0.00166 114 12 O 1S 0.00016 0.00000 -0.00008 0.00000 0.00150 115 2S -0.00012 0.00026 0.00023 0.00002 -0.00266 116 2PX -0.00210 0.00139 0.00070 -0.00332 -0.01786 117 2PY -0.00015 -0.00162 -0.00032 0.00047 0.00895 118 2PZ 0.00030 -0.00301 0.00124 -0.00143 -0.00176 119 3S -0.00169 -0.00074 0.00032 0.00023 -0.01184 120 3PX -0.00182 0.00115 0.00064 -0.00295 -0.01733 121 3PY 0.00033 -0.00073 -0.00019 0.00017 0.00826 122 3PZ 0.00023 -0.00275 0.00103 -0.00121 -0.00040 123 4XX 0.00005 0.00006 -0.00002 0.00002 0.00060 124 4YY 0.00011 0.00006 0.00001 -0.00001 0.00020 125 4ZZ 0.00005 0.00001 0.00001 -0.00005 0.00033 126 4XY 0.00004 0.00005 -0.00001 -0.00001 0.00003 127 4XZ -0.00003 -0.00001 0.00001 0.00002 -0.00005 128 4YZ 0.00001 -0.00003 -0.00003 0.00007 0.00035 129 13 C 1S -0.00061 0.00072 -0.00107 0.00083 0.00454 130 2S 0.00031 -0.00165 0.00311 -0.00180 -0.01158 131 2PX -0.00310 0.00283 -0.00443 0.00284 0.00920 132 2PY 0.00148 0.00076 0.00126 0.00050 0.00213 133 2PZ 0.00071 0.00181 -0.00248 0.00250 0.02062 134 3S -0.00104 -0.00142 0.00442 -0.00285 -0.02325 135 3PX -0.00190 0.00243 -0.00321 0.00372 0.01705 136 3PY -0.00048 0.00020 0.00073 -0.00009 -0.00468 137 3PZ -0.00023 0.00165 -0.00197 0.00144 0.00976 138 4XX 0.00002 0.00033 -0.00031 0.00019 0.00033 139 4YY 0.00002 -0.00009 0.00011 -0.00011 -0.00073 140 4ZZ 0.00004 -0.00013 0.00001 0.00006 0.00131 141 4XY -0.00005 -0.00001 -0.00011 -0.00003 0.00029 142 4XZ 0.00009 0.00015 -0.00016 0.00021 0.00186 143 4YZ 0.00012 0.00003 -0.00005 0.00004 0.00093 144 14 C 1S 0.00017 -0.00022 0.00032 0.00031 0.00212 145 2S -0.00108 0.00042 -0.00035 -0.00050 -0.00922 146 2PX 0.00185 0.00297 -0.00325 0.00325 0.02167 147 2PY 0.00068 -0.00030 -0.00003 -0.00017 0.00236 148 2PZ -0.00023 0.00375 -0.00363 0.00374 0.01494 149 3S 0.00062 -0.00085 -0.00029 -0.00081 -0.00229 150 3PX 0.00019 0.00313 -0.00226 0.00262 0.01022 151 3PY 0.00084 -0.00100 0.00057 -0.00002 0.00446 152 3PZ 0.00071 0.00256 -0.00257 0.00245 0.01230 153 4XX 0.00006 -0.00008 0.00023 -0.00011 -0.00079 154 4YY -0.00001 -0.00001 -0.00004 -0.00006 -0.00044 155 4ZZ 0.00000 0.00009 -0.00012 0.00007 0.00073 156 4XY 0.00002 -0.00004 0.00001 -0.00002 -0.00010 157 4XZ 0.00002 -0.00001 -0.00004 0.00008 0.00089 158 4YZ 0.00016 -0.00006 0.00002 -0.00002 0.00038 159 15 C 1S -0.00023 0.00007 0.00017 0.00003 0.00016 160 2S 0.00020 -0.00075 -0.00020 -0.00020 0.00034 161 2PX 0.00164 0.00012 -0.00011 0.00041 0.00324 162 2PY 0.00009 -0.00047 0.00043 0.00021 0.00188 163 2PZ 0.00199 -0.00089 -0.00065 0.00002 0.00629 164 3S -0.00043 0.00097 -0.00183 0.00097 0.00471 165 3PX 0.00152 -0.00071 0.00059 0.00009 0.00227 166 3PY 0.00042 -0.00106 0.00056 0.00011 0.00306 167 3PZ 0.00128 0.00008 -0.00065 0.00076 0.00661 168 4XX -0.00002 0.00021 -0.00006 0.00023 0.00074 169 4YY -0.00004 -0.00005 0.00002 -0.00004 -0.00036 170 4ZZ 0.00005 -0.00017 0.00006 -0.00015 -0.00004 171 4XY -0.00005 -0.00014 0.00017 -0.00015 -0.00096 172 4XZ -0.00003 0.00010 -0.00003 0.00004 -0.00003 173 4YZ 0.00000 -0.00024 0.00017 -0.00022 -0.00088 174 16 C 1S -0.00017 -0.00035 0.00011 -0.00041 -0.00158 175 2S 0.00036 0.00037 -0.00032 0.00049 0.00449 176 2PX 0.00065 -0.00478 0.00159 -0.00437 -0.01094 177 2PY -0.00033 -0.00108 0.00031 -0.00093 -0.00486 178 2PZ 0.00098 -0.00404 0.00206 -0.00447 -0.01167 179 3S 0.00037 -0.00045 0.00022 0.00088 0.00849 180 3PX 0.00047 -0.00315 0.00233 -0.00400 -0.01954 181 3PY 0.00053 0.00040 -0.00099 0.00043 0.00611 182 3PZ 0.00063 -0.00310 0.00139 -0.00262 -0.00675 183 4XX 0.00011 0.00004 -0.00009 0.00019 0.00074 184 4YY 0.00006 -0.00012 0.00013 -0.00012 -0.00014 185 4ZZ -0.00013 0.00016 -0.00008 -0.00001 -0.00037 186 4XY -0.00001 0.00004 0.00007 0.00007 -0.00019 187 4XZ 0.00002 0.00021 -0.00005 0.00014 0.00003 188 4YZ -0.00005 0.00001 0.00004 0.00002 -0.00042 189 17 H 1S -0.00048 -0.00119 0.00063 -0.00105 -0.00481 190 2S -0.00074 -0.00106 -0.00046 -0.00037 -0.00047 191 18 H 1S 0.00031 -0.00007 0.00013 -0.00036 -0.00175 192 2S 0.00099 -0.00065 0.00040 -0.00025 0.00356 193 19 H 1S -0.00009 0.00003 0.00021 0.00022 -0.00021 194 2S -0.00030 0.00070 -0.00005 0.00025 -0.00080 195 20 H 1S 0.00003 -0.00084 0.00049 -0.00086 -0.00282 196 2S -0.00057 -0.00134 0.00148 -0.00220 -0.01312 197 21 C 1S -0.00069 0.00023 -0.00040 0.00004 -0.00113 198 2S 0.00105 -0.00042 0.00095 -0.00037 0.00335 199 2PX -0.00155 0.00072 -0.00112 -0.00023 -0.00228 200 2PY -0.00108 -0.00005 -0.00091 -0.00082 -0.00511 201 2PZ -0.00249 0.00037 -0.00242 0.00034 -0.00298 202 3S 0.00153 -0.00007 0.00021 0.00004 0.00877 203 3PX -0.00007 0.00020 -0.00139 -0.00020 0.00704 204 3PY -0.00085 0.00042 -0.00012 -0.00117 -0.00947 205 3PZ -0.00175 -0.00072 -0.00041 -0.00074 -0.00308 206 4XX -0.00001 -0.00003 -0.00013 0.00001 0.00042 207 4YY 0.00007 -0.00012 0.00007 -0.00011 0.00038 208 4ZZ -0.00009 0.00012 0.00000 0.00008 -0.00044 209 4XY 0.00006 -0.00019 0.00014 -0.00027 -0.00122 210 4XZ -0.00016 0.00015 -0.00008 0.00009 -0.00082 211 4YZ 0.00007 -0.00016 0.00020 -0.00017 -0.00082 212 22 H 1S 0.00093 -0.00063 0.00017 0.00000 0.00340 213 2S 0.00136 -0.00053 -0.00085 0.00012 0.00972 214 23 H 1S -0.00158 0.00088 -0.00122 0.00040 -0.00370 215 2S -0.00141 0.00200 -0.00104 0.00148 -0.00752 66 67 68 69 70 66 2S 0.13494 67 8 C 1S 0.01510 2.05570 68 2S -0.02813 -0.05924 0.31847 69 2PX -0.02641 0.00145 -0.00603 0.36791 70 2PY 0.06258 -0.00313 -0.00004 -0.00064 0.42070 71 2PZ 0.02568 0.00509 -0.01187 -0.04034 -0.01215 72 3S -0.02069 -0.23487 0.34193 -0.02016 0.08049 73 3PX -0.01049 0.00487 0.00053 0.20172 -0.00184 74 3PY 0.01262 0.00428 0.00180 0.01374 0.12904 75 3PZ 0.01515 -0.01642 0.00749 0.03534 0.01924 76 4XX 0.00231 -0.01342 -0.00942 -0.00694 0.00696 77 4YY -0.00081 -0.01639 -0.00198 0.00184 -0.01326 78 4ZZ 0.00097 -0.01493 -0.00559 0.00818 0.01015 79 4XY -0.00490 0.00011 -0.00025 0.00529 -0.00320 80 4XZ -0.00013 0.00417 -0.00847 0.00180 -0.00834 81 4YZ 0.00713 0.00260 -0.00512 -0.01088 -0.00333 82 9 H 1S -0.02486 -0.06124 0.11770 0.12226 0.13332 83 2S -0.02733 -0.01187 0.02691 0.10879 0.09887 84 10 C 1S -0.01020 0.01410 -0.02937 0.05421 -0.03584 85 2S 0.02150 -0.02990 0.05355 -0.11390 0.08053 86 2PX 0.04407 -0.05447 0.10874 -0.12922 0.12702 87 2PY -0.02424 0.03296 -0.05774 0.12235 -0.06354 88 2PZ -0.01716 0.03101 -0.06074 0.15352 -0.06394 89 3S 0.03596 0.01361 0.00612 -0.10632 0.06223 90 3PX 0.01921 0.00831 0.00204 0.00043 0.01552 91 3PY 0.00009 -0.01167 -0.00243 0.04375 0.02768 92 3PZ -0.00688 -0.00553 0.00370 0.03084 -0.00489 93 4XX 0.00110 -0.00335 0.00494 0.00727 0.00795 94 4YY -0.00297 0.00102 -0.00259 0.00115 -0.01302 95 4ZZ 0.00016 -0.00038 -0.00066 0.00048 0.00147 96 4XY -0.00235 0.00616 -0.01145 0.00962 -0.00448 97 4XZ -0.00010 0.00314 -0.00548 0.00265 -0.00533 98 4YZ 0.00064 -0.00441 0.00839 -0.01350 0.00320 99 11 O 1S -0.00374 0.00112 -0.00269 0.00134 0.00581 100 2S 0.00644 -0.00244 0.00561 -0.00155 -0.01228 101 2PX 0.03611 -0.00875 0.01347 -0.01938 -0.04402 102 2PY -0.04848 -0.00730 0.01951 0.00014 -0.03258 103 2PZ -0.02442 0.00893 -0.01485 -0.04296 0.00419 104 3S 0.00405 -0.00776 0.01514 -0.01519 -0.04220 105 3PX 0.03033 -0.00629 0.01109 -0.02014 -0.03629 106 3PY -0.03147 -0.00507 0.01375 -0.00266 -0.02808 107 3PZ -0.01855 0.00720 -0.01269 -0.03288 0.00289 108 4XX 0.00100 0.00016 -0.00068 0.00101 0.00181 109 4YY -0.00280 0.00018 -0.00001 0.00067 0.00068 110 4ZZ 0.00123 0.00014 -0.00062 0.00012 0.00110 111 4XY -0.00069 0.00005 -0.00014 -0.00073 -0.00054 112 4XZ -0.00057 -0.00019 0.00035 -0.00026 -0.00081 113 4YZ -0.00003 0.00012 -0.00013 -0.00159 -0.00025 114 12 O 1S 0.00197 -0.00282 0.00538 -0.00269 0.01047 115 2S -0.00367 0.00573 -0.01244 0.00991 -0.02305 116 2PX -0.02953 0.02875 -0.04842 0.03561 -0.06770 117 2PY 0.01437 -0.01286 0.02094 -0.03200 0.03673 118 2PZ 0.00710 -0.01870 0.03915 -0.05631 0.03709 119 3S -0.00992 0.01054 -0.00577 -0.00905 -0.06021 120 3PX -0.02632 0.02226 -0.04014 0.02835 -0.05880 121 3PY 0.01030 -0.00754 0.00936 -0.01419 0.03124 122 3PZ 0.00668 -0.01415 0.03116 -0.05524 0.03008 123 4XX 0.00046 -0.00073 0.00007 0.00144 0.00219 124 4YY -0.00006 -0.00002 -0.00077 0.00027 0.00142 125 4ZZ 0.00030 -0.00080 -0.00001 0.00054 0.00128 126 4XY 0.00009 0.00012 -0.00047 0.00192 -0.00084 127 4XZ -0.00013 0.00003 -0.00022 -0.00008 -0.00114 128 4YZ 0.00021 -0.00014 -0.00014 -0.00204 0.00025 129 13 C 1S 0.00361 -0.00138 0.00253 0.00949 -0.00180 130 2S -0.00775 0.00437 -0.00366 -0.02429 0.00626 131 2PX -0.00274 -0.00315 0.00497 0.02520 -0.01756 132 2PY 0.00487 0.00497 -0.00682 -0.01736 0.01273 133 2PZ 0.02496 -0.00052 0.00329 0.01188 -0.01603 134 3S -0.02170 -0.00204 -0.00498 -0.02385 -0.00560 135 3PX 0.00906 -0.00196 0.00329 0.03415 -0.02262 136 3PY -0.00254 -0.00255 -0.00104 -0.00745 -0.01962 137 3PZ 0.00713 -0.00021 0.00214 0.01414 -0.01360 138 4XX -0.00076 -0.00061 0.00105 0.00574 0.00133 139 4YY 0.00007 0.00000 -0.00032 -0.00179 -0.00057 140 4ZZ 0.00150 0.00029 -0.00014 -0.00093 0.00060 141 4XY -0.00016 0.00031 -0.00029 -0.00060 0.00101 142 4XZ 0.00083 -0.00050 0.00081 0.00515 0.00091 143 4YZ 0.00113 0.00040 -0.00049 -0.00108 0.00134 144 14 C 1S 0.00231 -0.00065 0.00016 0.00211 -0.00050 145 2S -0.00892 0.00087 -0.00050 -0.00557 -0.00086 146 2PX 0.01856 -0.00838 0.01597 0.06593 0.00321 147 2PY -0.00046 0.00159 -0.00077 -0.00743 0.00036 148 2PZ -0.00587 -0.00802 0.01638 0.06825 0.00707 149 3S -0.00158 0.00403 0.00223 -0.01990 0.01251 150 3PX 0.00361 -0.00828 0.01167 0.06369 -0.00182 151 3PY 0.00610 0.00290 -0.00108 -0.01666 0.00366 152 3PZ 0.00099 -0.00469 0.01116 0.05173 0.01246 153 4XX -0.00053 -0.00008 -0.00003 -0.00023 0.00097 154 4YY -0.00019 -0.00008 0.00007 -0.00072 -0.00053 155 4ZZ 0.00068 -0.00022 0.00024 0.00043 -0.00044 156 4XY -0.00090 -0.00031 0.00080 0.00067 0.00068 157 4XZ 0.00043 -0.00026 0.00049 0.00187 -0.00021 158 4YZ 0.00059 -0.00020 0.00046 -0.00069 0.00115 159 15 C 1S 0.00039 -0.00144 0.00204 0.00497 0.00109 160 2S 0.00086 0.00344 -0.00522 -0.02040 -0.00484 161 2PX -0.00562 -0.00841 0.01939 0.01890 0.01022 162 2PY 0.00394 0.00051 -0.00238 -0.00523 -0.00224 163 2PZ -0.00037 -0.00666 0.01539 -0.00176 0.00986 164 3S -0.00011 -0.00475 -0.00232 0.01647 0.00697 165 3PX -0.00139 -0.00385 0.01480 0.00361 0.00363 166 3PY 0.00489 0.00047 0.00202 -0.01714 -0.00203 167 3PZ 0.00044 -0.00685 0.01175 0.01415 0.01546 168 4XX 0.00083 -0.00048 0.00017 0.00460 0.00072 169 4YY -0.00052 0.00006 -0.00027 -0.00185 -0.00052 170 4ZZ -0.00005 -0.00002 -0.00003 -0.00330 -0.00034 171 4XY -0.00074 0.00032 -0.00069 -0.00322 -0.00038 172 4XZ -0.00021 -0.00047 0.00112 0.00314 0.00019 173 4YZ -0.00007 0.00050 -0.00061 -0.00407 -0.00096 174 16 C 1S -0.00255 -0.00219 0.00203 -0.00550 0.00058 175 2S 0.00427 0.00171 -0.01398 0.00685 -0.00215 176 2PX -0.00741 0.00623 -0.00577 -0.09400 -0.01782 177 2PY -0.00757 0.00161 0.00146 -0.01402 -0.01101 178 2PZ -0.01515 0.00550 -0.00901 -0.07591 -0.01524 179 3S 0.01079 0.01599 -0.01073 -0.00312 -0.01239 180 3PX -0.01495 -0.00175 0.00447 -0.05779 -0.01569 181 3PY 0.00418 -0.00381 -0.00250 0.00800 0.01863 182 3PZ -0.00641 -0.00314 0.00128 -0.05632 -0.00853 183 4XX 0.00049 -0.00129 0.00225 0.00173 0.00209 184 4YY -0.00004 0.00043 -0.00208 -0.00353 -0.00136 185 4ZZ -0.00034 -0.00073 0.00042 0.00380 0.00071 186 4XY -0.00006 -0.00010 0.00034 0.00145 -0.00104 187 4XZ -0.00019 -0.00116 0.00307 0.00573 0.00240 188 4YZ -0.00040 0.00010 0.00021 0.00087 -0.00149 189 17 H 1S -0.00254 -0.00110 0.00190 -0.00345 -0.00941 190 2S 0.00457 -0.00273 0.00247 -0.00405 -0.02681 191 18 H 1S 0.00671 0.00034 -0.00080 -0.00396 -0.00080 192 2S 0.01215 0.00157 -0.00211 -0.01268 0.00353 193 19 H 1S -0.00089 0.00115 -0.00235 -0.00183 -0.00174 194 2S -0.00265 0.00003 -0.00301 0.00836 0.00292 195 20 H 1S -0.00468 0.00398 -0.00764 -0.01417 -0.01225 196 2S -0.01380 0.00633 -0.00763 -0.02579 -0.02883 197 21 C 1S -0.00241 -0.00249 0.00412 0.00644 -0.00119 198 2S 0.00805 0.00450 -0.01055 -0.01937 0.00279 199 2PX -0.00252 -0.00323 0.00794 0.00634 0.00064 200 2PY -0.01354 -0.00092 -0.00548 0.01019 -0.00362 201 2PZ -0.00933 -0.00610 0.01412 0.02266 -0.00489 202 3S 0.01371 0.00837 -0.01591 -0.01500 0.02179 203 3PX 0.00571 -0.00299 0.00317 -0.00043 0.01578 204 3PY -0.01513 -0.00112 -0.00344 0.00945 -0.00223 205 3PZ -0.00550 -0.00300 0.00400 -0.01009 -0.00988 206 4XX -0.00005 -0.00038 0.00042 -0.00076 0.00002 207 4YY 0.00050 0.00016 -0.00069 -0.00211 -0.00003 208 4ZZ -0.00044 -0.00054 0.00051 0.00273 0.00116 209 4XY -0.00102 0.00015 -0.00035 -0.00275 0.00001 210 4XZ -0.00082 -0.00088 0.00179 0.00433 -0.00033 211 4YZ -0.00042 0.00027 0.00013 -0.00295 0.00032 212 22 H 1S 0.00371 0.00274 -0.00604 -0.01117 -0.00133 213 2S 0.00837 0.00137 -0.00403 -0.00732 0.00679 214 23 H 1S -0.00492 -0.00434 0.00904 0.02163 0.00140 215 2S -0.00937 -0.00624 0.01437 0.05338 0.00332 71 72 73 74 75 71 2PZ 0.37981 72 3S 0.05803 0.55077 73 3PX 0.02939 -0.01593 0.12665 74 3PY 0.01196 -0.01135 0.01126 0.06783 75 3PZ 0.20401 0.07121 0.04359 0.01222 0.13016 76 4XX 0.00255 -0.00827 -0.00319 0.00109 0.00064 77 4YY -0.00063 -0.00616 0.00122 -0.00212 -0.00146 78 4ZZ -0.00506 -0.00366 0.00361 0.00275 -0.00119 79 4XY -0.01098 -0.00171 0.00106 -0.00161 -0.00483 80 4XZ 0.00361 -0.00907 0.00097 -0.00240 0.00178 81 4YZ 0.00928 -0.00632 -0.00448 -0.00137 0.00268 82 9 H 1S -0.19798 0.11828 0.04306 0.03798 -0.07670 83 2S -0.16590 0.00422 0.03775 0.02833 -0.06535 84 10 C 1S -0.03570 0.02047 0.00033 -0.01644 0.00412 85 2S 0.07604 -0.00257 -0.01740 0.02632 0.00531 86 2PX 0.15561 0.15402 -0.06002 0.06616 0.06795 87 2PY -0.06849 -0.11317 0.06879 0.01882 -0.04958 88 2PZ -0.00963 -0.09140 0.08586 -0.03001 -0.00432 89 3S 0.06649 -0.04889 -0.02053 0.01591 0.00172 90 3PX 0.02880 -0.01466 0.00581 0.01071 0.00696 91 3PY -0.02110 0.03226 0.00951 0.00583 0.00581 92 3PZ 0.02275 0.00647 0.01867 0.00173 0.00788 93 4XX 0.00620 0.01427 0.00335 0.00142 0.00731 94 4YY -0.00256 -0.00718 0.00023 -0.00239 -0.00309 95 4ZZ -0.00968 0.00110 -0.00265 -0.00105 -0.00352 96 4XY -0.01227 -0.02904 0.00486 0.00057 -0.00827 97 4XZ 0.00498 -0.00489 0.00182 -0.00105 0.00290 98 4YZ -0.00092 0.01823 -0.00918 -0.00088 -0.00295 99 11 O 1S -0.00050 -0.00207 -0.00179 0.00302 0.00215 100 2S 0.00035 0.01151 0.00376 -0.00952 -0.00319 101 2PX -0.01401 0.11916 -0.00849 -0.10152 -0.01074 102 2PY 0.00567 0.06339 -0.00108 -0.03501 0.00672 103 2PZ -0.02966 -0.07724 -0.04437 0.04145 -0.02304 104 3S 0.00505 0.01117 -0.00309 -0.01524 -0.00381 105 3PX -0.00810 0.08488 -0.00974 -0.07286 -0.00780 106 3PY 0.00590 0.03585 -0.00193 -0.02165 0.00464 107 3PZ -0.02552 -0.06077 -0.03206 0.02914 -0.01950 108 4XX -0.00015 -0.00076 0.00061 0.00064 -0.00006 109 4YY 0.00003 0.00265 0.00025 -0.00100 0.00049 110 4ZZ -0.00069 -0.00197 -0.00010 0.00102 -0.00043 111 4XY -0.00089 0.00452 -0.00031 -0.00377 -0.00054 112 4XZ -0.00026 0.00057 -0.00025 -0.00044 -0.00026 113 4YZ -0.00090 -0.00187 -0.00209 0.00124 -0.00068 114 12 O 1S 0.00110 0.00337 0.00508 0.00052 -0.00420 115 2S -0.00482 -0.02107 -0.00521 0.00472 0.00254 116 2PX -0.06075 -0.28918 0.02728 0.03414 -0.07584 117 2PY 0.01487 0.10735 -0.05634 -0.01946 0.04540 118 2PZ -0.01523 0.15040 -0.04740 -0.01668 -0.03849 119 3S 0.00908 -0.00502 -0.02309 -0.01138 0.01445 120 3PX -0.05468 -0.21149 0.01927 0.01808 -0.05878 121 3PY 0.00269 0.05571 -0.02997 -0.00654 0.02249 122 3PZ -0.01596 0.11143 -0.04331 -0.01124 -0.03033 123 4XX 0.00019 0.00121 0.00030 0.00052 0.00084 124 4YY -0.00038 -0.00603 0.00321 0.00192 -0.00266 125 4ZZ -0.00166 0.00257 -0.00062 -0.00052 -0.00031 126 4XY -0.00157 0.00854 0.00023 -0.00340 0.00166 127 4XZ 0.00063 -0.00084 0.00001 -0.00016 -0.00006 128 4YZ 0.00108 -0.00306 -0.00070 0.00128 0.00210 129 13 C 1S 0.00909 0.00499 0.00828 -0.00116 0.00706 130 2S -0.02179 -0.02606 -0.02024 0.00858 -0.02280 131 2PX 0.02282 0.02359 0.01785 -0.00607 0.03727 132 2PY -0.01634 -0.03920 -0.01730 0.01190 -0.01643 133 2PZ 0.00966 -0.01840 0.02271 -0.00137 0.00765 134 3S -0.03620 -0.03013 -0.02537 0.00051 -0.03115 135 3PX 0.04063 0.01035 0.02736 -0.00683 0.04063 136 3PY -0.00690 -0.01258 -0.00766 -0.00961 -0.00803 137 3PZ 0.00862 -0.01339 0.01665 0.00028 0.00951 138 4XX 0.00424 0.00341 0.00381 0.00158 0.00426 139 4YY -0.00177 -0.00018 -0.00131 -0.00144 -0.00149 140 4ZZ 0.00025 -0.00080 -0.00021 0.00016 -0.00033 141 4XY -0.00046 0.00040 -0.00032 0.00032 -0.00002 142 4XZ 0.00443 0.00209 0.00373 0.00107 0.00348 143 4YZ -0.00110 -0.00129 -0.00051 0.00082 -0.00073 144 14 C 1S 0.00103 0.00336 -0.00044 0.00045 0.00299 145 2S -0.00422 -0.00405 -0.00586 0.00025 -0.00258 146 2PX 0.04620 0.03427 0.05450 0.01170 0.04042 147 2PY -0.00371 -0.01498 -0.00408 -0.00192 -0.00937 148 2PZ 0.04570 0.04233 0.04383 0.01988 0.05284 149 3S -0.00973 -0.00270 -0.01079 0.01093 -0.01192 150 3PX 0.04066 0.02513 0.04502 0.00701 0.03911 151 3PY -0.00389 -0.00926 -0.00868 0.00146 -0.00946 152 3PZ 0.03488 0.03002 0.03638 0.01623 0.03657 153 4XX -0.00056 -0.00038 -0.00066 0.00048 -0.00080 154 4YY -0.00006 0.00034 -0.00006 -0.00066 -0.00041 155 4ZZ -0.00012 -0.00003 0.00059 0.00000 0.00038 156 4XY 0.00004 0.00255 -0.00019 0.00071 0.00079 157 4XZ 0.00133 0.00121 0.00130 -0.00017 0.00105 158 4YZ -0.00076 0.00131 -0.00026 0.00086 -0.00102 159 15 C 1S -0.00045 0.00163 0.00867 -0.00117 -0.00058 160 2S 0.00009 -0.01160 -0.00980 -0.00306 -0.00749 161 2PX -0.00010 0.04472 0.00131 0.01358 0.01575 162 2PY 0.00198 0.00485 -0.00309 0.00279 0.00400 163 2PZ -0.00745 0.04558 0.00315 0.01752 -0.00987 164 3S 0.01960 0.01242 0.01149 0.00140 0.01862 165 3PX 0.00093 0.02823 -0.00081 0.00871 0.00229 166 3PY 0.00012 0.00093 -0.00869 0.00253 -0.00490 167 3PZ 0.00809 0.03700 0.00929 0.01568 0.00777 168 4XX 0.00457 0.00094 0.00319 0.00001 0.00360 169 4YY -0.00067 -0.00131 -0.00141 0.00013 -0.00068 170 4ZZ -0.00339 0.00041 -0.00265 -0.00023 -0.00232 171 4XY -0.00259 -0.00141 -0.00298 -0.00091 -0.00178 172 4XZ 0.00085 0.00068 0.00231 0.00052 0.00091 173 4YZ -0.00285 -0.00173 -0.00244 -0.00075 -0.00340 174 16 C 1S -0.00731 0.01382 0.00214 0.00408 0.00083 175 2S 0.01154 0.00283 -0.00357 -0.01196 0.00779 176 2PX -0.08418 -0.01791 -0.05487 0.00248 -0.07719 177 2PY -0.01057 -0.01923 -0.00742 0.01152 -0.01177 178 2PZ -0.09388 0.00294 -0.07226 -0.01413 -0.06000 179 3S 0.01790 -0.00436 -0.00432 -0.01641 0.00596 180 3PX -0.06835 -0.00234 -0.03930 -0.00220 -0.05621 181 3PY 0.00622 0.00873 0.00559 0.01047 0.00928 182 3PZ -0.05215 0.01416 -0.04660 -0.00819 -0.03786 183 4XX 0.00414 0.00430 0.00214 0.00189 0.00262 184 4YY -0.00324 -0.00466 -0.00315 -0.00057 -0.00280 185 4ZZ 0.00031 0.00026 0.00258 -0.00013 0.00123 186 4XY 0.00123 0.00070 0.00052 -0.00067 0.00123 187 4XZ 0.00370 0.00475 0.00385 0.00166 0.00339 188 4YZ 0.00138 -0.00120 0.00098 -0.00003 0.00022 189 17 H 1S -0.00332 0.00777 0.00045 -0.00771 -0.00427 190 2S 0.00272 0.01581 0.00067 -0.02242 0.00057 191 18 H 1S -0.00263 -0.00254 0.00146 -0.00117 -0.00573 192 2S -0.00576 -0.00510 -0.00315 0.00042 -0.01038 193 19 H 1S 0.00329 -0.00166 -0.00697 -0.00231 0.00926 194 2S 0.00051 0.00011 -0.00246 -0.00133 0.01124 195 20 H 1S -0.01428 -0.01878 -0.01529 -0.00150 -0.01249 196 2S -0.03793 -0.04505 -0.02283 -0.00305 -0.03405 197 21 C 1S 0.00897 0.00984 0.00606 0.00167 0.00794 198 2S -0.02618 -0.02012 -0.01874 -0.00556 -0.01784 199 2PX 0.01441 0.01281 0.01111 0.00422 0.01176 200 2PY -0.00479 0.04203 -0.01022 -0.02095 0.01270 201 2PZ 0.02855 0.02887 0.02986 0.00885 0.02302 202 3S -0.02516 -0.01773 -0.01454 0.00247 -0.01288 203 3PX -0.00254 0.00641 0.00280 0.00718 0.00141 204 3PY -0.01222 0.01403 -0.00430 -0.00883 0.00174 205 3PZ -0.00550 -0.00078 -0.00128 -0.00305 -0.00671 206 4XX -0.00085 0.00093 -0.00016 0.00040 -0.00039 207 4YY -0.00291 -0.00145 -0.00193 -0.00049 -0.00207 208 4ZZ 0.00379 0.00101 0.00224 0.00067 0.00243 209 4XY -0.00375 0.00051 -0.00249 -0.00041 -0.00297 210 4XZ 0.00582 0.00285 0.00382 0.00058 0.00407 211 4YZ -0.00285 -0.00250 -0.00177 0.00122 -0.00294 212 22 H 1S -0.01883 -0.00997 -0.01046 -0.00295 -0.01267 213 2S -0.02273 -0.00351 -0.00733 0.00176 -0.01143 214 23 H 1S 0.02960 0.01795 0.02352 0.00640 0.02236 215 2S 0.06454 0.03231 0.04530 0.01117 0.04695 76 77 78 79 80 76 4XX 0.00095 77 4YY -0.00022 0.00091 78 4ZZ 0.00022 -0.00017 0.00083 79 4XY -0.00015 0.00001 0.00024 0.00099 80 4XZ 0.00012 0.00031 -0.00012 0.00009 0.00067 81 4YZ 0.00037 0.00011 -0.00025 -0.00037 0.00030 82 9 H 1S -0.00427 -0.00388 0.00628 0.00624 -0.00724 83 2S -0.00150 -0.00311 0.00631 0.00621 -0.00437 84 10 C 1S -0.00327 0.00058 0.00008 0.00438 0.00306 85 2S 0.00582 -0.00251 -0.00132 -0.00858 -0.00632 86 2PX -0.00285 -0.00197 -0.00194 -0.00709 -0.00403 87 2PY -0.00502 0.00972 0.00179 0.00032 0.00652 88 2PZ -0.00416 0.00100 0.00721 0.00649 -0.00090 89 3S 0.00585 -0.00259 -0.00098 -0.00652 -0.00387 90 3PX -0.00135 0.00046 0.00088 -0.00144 -0.00096 91 3PY -0.00146 -0.00088 0.00194 0.00162 0.00053 92 3PZ -0.00264 0.00032 0.00247 0.00174 -0.00120 93 4XX -0.00008 -0.00053 0.00013 0.00011 -0.00011 94 4YY -0.00028 0.00072 -0.00019 0.00008 0.00038 95 4ZZ -0.00012 -0.00025 0.00021 0.00050 -0.00010 96 4XY 0.00005 0.00030 0.00047 0.00044 -0.00003 97 4XZ 0.00000 0.00026 -0.00011 -0.00006 0.00047 98 4YZ -0.00028 -0.00018 -0.00015 0.00016 -0.00031 99 11 O 1S 0.00020 0.00018 0.00016 0.00000 -0.00008 100 2S -0.00040 -0.00022 -0.00012 -0.00026 0.00023 101 2PX -0.00015 0.00025 -0.00210 -0.00139 0.00070 102 2PY -0.00028 -0.00030 0.00015 -0.00162 0.00032 103 2PZ 0.00251 -0.00011 0.00030 0.00301 0.00124 104 3S -0.00105 0.00028 -0.00169 0.00074 0.00032 105 3PX -0.00005 0.00014 -0.00182 -0.00115 0.00064 106 3PY -0.00037 0.00001 -0.00033 -0.00073 0.00019 107 3PZ 0.00202 -0.00002 0.00023 0.00275 0.00103 108 4XX 0.00002 0.00000 0.00005 -0.00006 -0.00002 109 4YY 0.00004 -0.00004 0.00011 -0.00006 0.00001 110 4ZZ 0.00003 0.00000 0.00005 -0.00001 0.00001 111 4XY 0.00002 0.00003 -0.00004 0.00005 0.00001 112 4XZ -0.00002 0.00001 -0.00003 0.00001 0.00001 113 4YZ 0.00008 -0.00003 -0.00001 -0.00003 0.00003 114 12 O 1S -0.00033 -0.00116 -0.00001 0.00036 -0.00003 115 2S 0.00069 0.00262 0.00052 -0.00070 0.00048 116 2PX -0.00318 0.00707 0.00172 0.00023 -0.00141 117 2PY 0.00060 -0.00776 0.00118 0.00542 -0.00378 118 2PZ -0.00509 -0.00183 0.00402 0.00427 -0.00402 119 3S 0.00045 0.00214 -0.00076 0.00102 0.00012 120 3PX -0.00192 0.00500 0.00112 0.00089 -0.00072 121 3PY 0.00055 -0.00436 0.00114 0.00280 -0.00224 122 3PZ -0.00307 -0.00150 0.00218 0.00270 -0.00279 123 4XX -0.00006 -0.00012 0.00008 0.00007 -0.00001 124 4YY 0.00014 0.00033 -0.00005 -0.00050 0.00012 125 4ZZ -0.00008 -0.00013 0.00011 0.00016 -0.00003 126 4XY 0.00020 -0.00027 -0.00004 0.00020 0.00016 127 4XZ -0.00004 0.00006 0.00001 0.00001 0.00001 128 4YZ 0.00034 0.00001 -0.00037 -0.00033 0.00019 129 13 C 1S -0.00030 0.00008 -0.00017 0.00035 0.00011 130 2S 0.00071 -0.00004 0.00036 -0.00037 -0.00032 131 2PX 0.00033 -0.00010 0.00065 0.00478 0.00159 132 2PY 0.00050 0.00007 0.00033 -0.00108 -0.00031 133 2PZ 0.00042 -0.00024 0.00098 0.00404 0.00206 134 3S 0.00082 0.00020 0.00037 0.00045 0.00022 135 3PX 0.00024 0.00010 0.00047 0.00315 0.00233 136 3PY 0.00046 0.00049 -0.00053 0.00040 0.00099 137 3PZ 0.00030 0.00001 0.00063 0.00310 0.00139 138 4XX -0.00024 0.00005 0.00011 -0.00004 -0.00009 139 4YY 0.00010 -0.00011 0.00006 0.00012 0.00013 140 4ZZ 0.00007 0.00001 -0.00013 -0.00016 -0.00008 141 4XY 0.00003 0.00000 0.00001 0.00004 -0.00007 142 4XZ -0.00016 0.00006 0.00002 -0.00021 -0.00005 143 4YZ 0.00000 -0.00002 0.00005 0.00001 -0.00004 144 14 C 1S -0.00022 -0.00016 -0.00023 -0.00007 0.00017 145 2S 0.00033 0.00019 0.00020 0.00075 -0.00020 146 2PX -0.00326 0.00046 0.00164 -0.00012 -0.00011 147 2PY 0.00019 0.00032 -0.00009 -0.00047 -0.00043 148 2PZ -0.00309 0.00073 0.00199 0.00089 -0.00065 149 3S -0.00025 0.00027 -0.00043 -0.00097 -0.00183 150 3PX -0.00215 0.00043 0.00152 0.00071 0.00059 151 3PY 0.00016 0.00010 -0.00042 -0.00106 -0.00056 152 3PZ -0.00208 0.00027 0.00128 -0.00008 -0.00065 153 4XX -0.00001 -0.00001 -0.00002 -0.00021 -0.00006 154 4YY 0.00005 -0.00002 -0.00004 0.00005 0.00002 155 4ZZ -0.00001 0.00000 0.00005 0.00017 0.00006 156 4XY -0.00022 0.00006 0.00005 -0.00014 -0.00017 157 4XZ -0.00007 0.00003 -0.00003 -0.00010 -0.00003 158 4YZ -0.00015 0.00003 0.00000 -0.00024 -0.00017 159 15 C 1S -0.00091 -0.00016 0.00017 0.00022 0.00032 160 2S 0.00150 0.00012 -0.00108 -0.00042 -0.00035 161 2PX -0.00554 0.00147 0.00185 -0.00297 -0.00325 162 2PY 0.00034 -0.00009 -0.00068 -0.00030 0.00003 163 2PZ -0.00389 0.00121 -0.00023 -0.00375 -0.00363 164 3S 0.00029 -0.00011 0.00062 0.00085 -0.00029 165 3PX -0.00316 0.00099 0.00019 -0.00313 -0.00226 166 3PY 0.00006 0.00021 -0.00084 -0.00100 -0.00057 167 3PZ -0.00326 0.00075 0.00071 -0.00256 -0.00257 168 4XX 0.00012 -0.00011 0.00006 0.00008 0.00023 169 4YY -0.00002 0.00007 -0.00001 0.00001 -0.00004 170 4ZZ -0.00012 0.00005 0.00000 -0.00009 -0.00012 171 4XY 0.00009 -0.00001 -0.00002 -0.00004 -0.00001 172 4XZ -0.00009 0.00003 0.00002 0.00001 -0.00004 173 4YZ 0.00009 0.00002 -0.00016 -0.00006 -0.00002 174 16 C 1S -0.00105 -0.00018 -0.00061 -0.00072 -0.00107 175 2S 0.00174 -0.00110 0.00031 0.00165 0.00311 176 2PX -0.00071 0.00191 -0.00310 -0.00283 -0.00443 177 2PY -0.00089 0.00182 -0.00148 0.00076 -0.00126 178 2PZ -0.00358 0.00143 0.00071 -0.00181 -0.00248 179 3S 0.00293 -0.00112 -0.00104 0.00142 0.00442 180 3PX -0.00136 0.00130 -0.00190 -0.00243 -0.00321 181 3PY -0.00047 0.00007 0.00048 0.00020 -0.00073 182 3PZ -0.00205 0.00093 -0.00023 -0.00165 -0.00197 183 4XX -0.00025 0.00004 0.00002 -0.00033 -0.00031 184 4YY 0.00007 0.00007 0.00002 0.00009 0.00011 185 4ZZ 0.00008 -0.00005 0.00004 0.00013 0.00001 186 4XY -0.00005 -0.00002 0.00005 -0.00001 0.00011 187 4XZ -0.00027 0.00000 0.00009 -0.00015 -0.00016 188 4YZ 0.00006 0.00006 -0.00012 0.00003 0.00005 189 17 H 1S 0.00020 -0.00017 0.00003 0.00084 0.00049 190 2S 0.00048 -0.00002 -0.00057 0.00134 0.00148 191 18 H 1S 0.00014 -0.00018 -0.00009 -0.00003 0.00021 192 2S 0.00032 -0.00030 -0.00030 -0.00070 -0.00005 193 19 H 1S 0.00012 0.00001 0.00031 0.00007 0.00013 194 2S -0.00015 -0.00020 0.00099 0.00065 0.00040 195 20 H 1S -0.00008 0.00083 -0.00048 0.00119 0.00063 196 2S -0.00060 0.00160 -0.00074 0.00106 -0.00046 197 21 C 1S -0.00047 0.00018 -0.00069 -0.00023 -0.00040 198 2S 0.00058 -0.00077 0.00105 0.00042 0.00095 199 2PX 0.00013 0.00050 -0.00155 -0.00072 -0.00112 200 2PY -0.00098 -0.00062 0.00108 -0.00005 0.00091 201 2PZ -0.00064 0.00122 -0.00249 -0.00037 -0.00242 202 3S 0.00049 -0.00118 0.00153 0.00007 0.00021 203 3PX -0.00013 0.00003 -0.00007 -0.00020 -0.00139 204 3PY -0.00066 -0.00022 0.00085 0.00042 0.00012 205 3PZ 0.00104 0.00046 -0.00175 0.00072 -0.00041 206 4XX -0.00007 0.00004 -0.00001 0.00003 -0.00013 207 4YY 0.00004 -0.00001 0.00007 0.00012 0.00007 208 4ZZ 0.00010 -0.00003 -0.00009 -0.00012 0.00000 209 4XY -0.00009 0.00004 -0.00006 -0.00019 -0.00014 210 4XZ -0.00007 0.00006 -0.00016 -0.00015 -0.00008 211 4YZ -0.00005 0.00009 -0.00007 -0.00016 -0.00020 212 22 H 1S -0.00019 -0.00026 0.00093 0.00063 0.00017 213 2S -0.00092 -0.00009 0.00136 0.00053 -0.00085 214 23 H 1S -0.00009 0.00047 -0.00158 -0.00088 -0.00122 215 2S -0.00086 0.00056 -0.00141 -0.00200 -0.00104 81 82 83 84 85 81 4YZ 0.00118 82 9 H 1S -0.01140 0.21485 83 2S -0.00923 0.15501 0.13494 84 10 C 1S -0.00280 0.01078 0.01881 2.05381 85 2S 0.00540 -0.02379 -0.03589 -0.07109 0.35855 86 2PX 0.00729 -0.03953 -0.07197 -0.00061 0.00241 87 2PY -0.00063 0.01278 -0.00801 0.00350 -0.00756 88 2PZ -0.00046 0.01908 0.04012 0.00102 -0.00365 89 3S 0.00635 -0.04166 -0.03913 -0.14982 0.25478 90 3PX 0.00260 -0.01058 -0.01111 -0.00725 0.00851 91 3PY -0.00237 0.02963 0.02479 0.06048 -0.08069 92 3PZ 0.00104 0.00257 -0.00027 -0.00431 0.00555 93 4XX -0.00040 0.00369 0.00222 -0.01269 -0.01195 94 4YY 0.00014 -0.00366 -0.00283 -0.01530 -0.00363 95 4ZZ -0.00038 0.00529 0.00593 -0.01103 -0.01542 96 4XY -0.00012 0.00326 0.00818 0.00044 -0.00159 97 4XZ 0.00016 -0.00554 -0.00383 0.00244 -0.00539 98 4YZ 0.00034 0.00078 -0.00403 0.00044 -0.00127 99 11 O 1S 0.00000 0.00150 0.00197 -0.00036 0.00095 100 2S -0.00002 -0.00266 -0.00367 -0.00070 0.00008 101 2PX 0.00332 -0.01786 -0.02953 -0.00027 0.00025 102 2PY 0.00047 -0.00895 -0.01437 -0.00207 0.00770 103 2PZ 0.00143 -0.00176 0.00710 -0.00096 0.00090 104 3S -0.00023 -0.01184 -0.00992 0.01007 -0.01475 105 3PX 0.00295 -0.01733 -0.02632 0.00026 -0.00055 106 3PY 0.00017 -0.00826 -0.01030 0.00089 0.00135 107 3PZ 0.00121 -0.00040 0.00668 -0.00059 0.00012 108 4XX -0.00002 0.00060 0.00046 -0.00071 0.00073 109 4YY 0.00001 0.00020 -0.00006 -0.00048 0.00073 110 4ZZ 0.00005 0.00033 0.00030 -0.00064 0.00056 111 4XY -0.00001 -0.00003 -0.00009 0.00000 0.00007 112 4XZ -0.00002 -0.00005 -0.00013 0.00013 -0.00025 113 4YZ 0.00007 -0.00035 -0.00021 -0.00006 0.00018 114 12 O 1S -0.00031 0.00322 -0.00374 0.01187 -0.01328 115 2S 0.00048 -0.00599 0.00644 -0.02038 0.02305 116 2PX 0.00350 -0.00370 0.03611 -0.00967 0.01823 117 2PY -0.00246 0.01751 0.04848 0.10128 -0.21849 118 2PZ 0.00353 0.02492 -0.02442 -0.00765 0.01501 119 3S 0.00050 -0.02191 0.00405 -0.01281 -0.03473 120 3PX 0.00191 -0.00066 0.03033 -0.00492 0.00836 121 3PY -0.00141 0.01529 0.03147 0.05718 -0.11196 122 3PZ 0.00246 0.01722 -0.01855 -0.00424 0.00748 123 4XX -0.00006 0.00098 0.00100 0.00412 -0.00509 124 4YY 0.00017 -0.00053 -0.00280 -0.00903 0.01950 125 4ZZ -0.00009 0.00148 0.00123 0.00413 -0.00502 126 4XY -0.00037 0.00128 0.00069 0.00130 -0.00250 127 4XZ 0.00008 -0.00073 -0.00057 -0.00009 0.00028 128 4YZ -0.00016 -0.00166 0.00003 0.00107 -0.00185 129 13 C 1S 0.00041 -0.00158 -0.00255 0.00056 -0.00120 130 2S -0.00049 0.00449 0.00427 -0.00121 0.00285 131 2PX 0.00437 -0.01094 -0.00741 0.00340 -0.01021 132 2PY -0.00093 0.00486 0.00757 -0.00124 0.00432 133 2PZ 0.00447 -0.01167 -0.01515 0.00207 -0.00746 134 3S -0.00088 0.00848 0.01079 -0.00022 -0.00031 135 3PX 0.00400 -0.01954 -0.01494 0.00341 -0.00941 136 3PY 0.00043 -0.00611 -0.00418 0.00030 -0.00189 137 3PZ 0.00262 -0.00674 -0.00641 0.00217 -0.00671 138 4XX -0.00019 0.00074 0.00049 0.00040 -0.00055 139 4YY 0.00012 -0.00014 -0.00004 0.00013 -0.00020 140 4ZZ 0.00001 -0.00037 -0.00034 -0.00010 0.00055 141 4XY 0.00007 0.00019 0.00006 -0.00015 0.00031 142 4XZ -0.00014 0.00003 -0.00019 0.00006 0.00012 143 4YZ 0.00002 0.00042 0.00040 -0.00015 0.00034 144 14 C 1S -0.00003 0.00016 0.00039 0.00004 0.00053 145 2S 0.00020 0.00034 0.00086 0.00026 -0.00175 146 2PX -0.00041 0.00324 -0.00562 0.00269 -0.00613 147 2PY 0.00021 -0.00188 -0.00394 -0.00121 0.00087 148 2PZ -0.00002 0.00629 -0.00038 0.00343 -0.00788 149 3S -0.00097 0.00471 -0.00011 -0.00402 0.00575 150 3PX -0.00009 0.00227 -0.00139 0.00412 -0.00882 151 3PY 0.00011 -0.00306 -0.00489 -0.00245 0.00464 152 3PZ -0.00076 0.00661 0.00044 0.00121 -0.00342 153 4XX -0.00023 0.00074 0.00083 -0.00008 0.00039 154 4YY 0.00004 -0.00036 -0.00052 -0.00002 0.00002 155 4ZZ 0.00015 -0.00004 -0.00005 0.00005 -0.00022 156 4XY -0.00015 0.00096 0.00074 -0.00002 0.00004 157 4XZ -0.00004 -0.00003 -0.00021 0.00004 -0.00008 158 4YZ -0.00022 0.00088 0.00007 -0.00017 0.00061 159 15 C 1S -0.00031 0.00212 0.00231 0.00036 -0.00219 160 2S 0.00050 -0.00922 -0.00892 -0.00277 0.00558 161 2PX -0.00325 0.02167 0.01856 0.00023 -0.00009 162 2PY -0.00017 -0.00236 0.00046 -0.00030 0.00341 163 2PZ -0.00374 0.01493 -0.00587 -0.00175 0.00790 164 3S 0.00081 -0.00229 -0.00158 0.00719 -0.00454 165 3PX -0.00262 0.01022 0.00361 -0.00426 0.00545 166 3PY -0.00002 -0.00446 -0.00610 -0.00289 0.00595 167 3PZ -0.00245 0.01230 0.00099 0.00133 0.00292 168 4XX 0.00011 -0.00079 -0.00053 0.00022 -0.00049 169 4YY 0.00006 -0.00044 -0.00019 -0.00025 0.00014 170 4ZZ -0.00007 0.00073 0.00068 -0.00030 0.00056 171 4XY -0.00002 0.00010 0.00090 -0.00015 0.00032 172 4XZ -0.00008 0.00089 0.00043 -0.00002 -0.00041 173 4YZ -0.00002 -0.00038 -0.00059 -0.00011 0.00036 174 16 C 1S -0.00083 0.00454 0.00361 -0.00136 0.00291 175 2S 0.00180 -0.01158 -0.00775 0.00342 -0.00666 176 2PX -0.00284 0.00920 -0.00274 -0.00461 0.01563 177 2PY 0.00050 -0.00213 -0.00487 0.00026 -0.00254 178 2PZ -0.00250 0.02062 0.02496 -0.00036 0.00200 179 3S 0.00285 -0.02325 -0.02170 -0.00371 -0.00012 180 3PX -0.00372 0.01705 0.00906 -0.00522 0.00885 181 3PY -0.00009 0.00468 0.00254 0.00388 -0.00114 182 3PZ -0.00144 0.00976 0.00713 -0.00102 0.00612 183 4XX -0.00019 0.00033 -0.00076 -0.00088 0.00152 184 4YY 0.00011 -0.00073 0.00007 0.00007 -0.00044 185 4ZZ -0.00006 0.00131 0.00150 0.00015 -0.00077 186 4XY -0.00003 -0.00029 0.00016 0.00026 -0.00060 187 4XZ -0.00021 0.00186 0.00083 0.00012 -0.00001 188 4YZ 0.00004 -0.00093 -0.00113 0.00007 -0.00033 189 17 H 1S 0.00086 -0.00282 -0.00468 0.00039 -0.00211 190 2S 0.00220 -0.01312 -0.01380 0.00145 -0.00499 191 18 H 1S -0.00022 -0.00021 -0.00089 -0.00013 0.00076 192 2S -0.00025 -0.00080 -0.00265 -0.00149 0.00427 193 19 H 1S 0.00036 -0.00175 0.00671 0.00000 0.00008 194 2S 0.00025 0.00356 0.01215 0.00176 -0.00264 195 20 H 1S 0.00105 -0.00481 -0.00254 0.00128 -0.00488 196 2S 0.00037 -0.00047 0.00457 0.00096 -0.00688 197 21 C 1S -0.00004 -0.00113 -0.00241 -0.00067 0.00190 198 2S 0.00037 0.00335 0.00805 0.00120 -0.00328 199 2PX 0.00023 -0.00228 -0.00251 -0.00310 0.01031 200 2PY -0.00082 0.00511 0.01354 0.00243 -0.00517 201 2PZ -0.00034 -0.00298 -0.00933 -0.00085 0.00175 202 3S -0.00004 0.00877 0.01371 0.00203 -0.00260 203 3PX 0.00020 0.00704 0.00571 -0.00195 0.00688 204 3PY -0.00117 0.00947 0.01513 0.00279 -0.00539 205 3PZ 0.00074 -0.00308 -0.00550 -0.00282 0.00234 206 4XX -0.00001 0.00042 -0.00005 -0.00009 0.00012 207 4YY 0.00011 0.00038 0.00050 -0.00002 -0.00011 208 4ZZ -0.00008 -0.00044 -0.00044 -0.00012 0.00040 209 4XY -0.00027 0.00122 0.00102 0.00010 0.00018 210 4XZ -0.00009 -0.00082 -0.00082 -0.00034 0.00056 211 4YZ -0.00017 0.00082 0.00042 -0.00032 0.00067 212 22 H 1S 0.00000 0.00340 0.00371 0.00141 -0.00555 213 2S -0.00012 0.00972 0.00837 0.00305 -0.00548 214 23 H 1S -0.00040 -0.00370 -0.00492 -0.00137 0.00419 215 2S -0.00148 -0.00752 -0.00937 -0.00018 0.00267 86 87 88 89 90 86 2PX 0.37725 87 2PY -0.01133 0.42606 88 2PZ -0.06931 -0.00950 0.32857 89 3S 0.00259 -0.04864 0.00927 0.22567 90 3PX 0.08621 0.01369 0.04144 0.00904 0.04066 91 3PY 0.01005 -0.00595 -0.00089 -0.05925 -0.00235 92 3PZ 0.04163 0.01082 0.12312 0.00693 0.02830 93 4XX 0.00171 -0.01636 -0.00015 -0.00596 -0.00138 94 4YY -0.00015 0.01793 0.00049 -0.00696 0.00132 95 4ZZ -0.00107 -0.01244 0.00106 -0.00805 -0.00080 96 4XY -0.00643 -0.00246 0.01401 0.00135 0.00499 97 4XZ -0.00059 0.00722 -0.00248 -0.00384 -0.00045 98 4YZ 0.01374 -0.00040 0.00341 -0.00023 0.00195 99 11 O 1S 0.00021 0.00037 0.00027 -0.00332 -0.00010 100 2S -0.00094 0.00242 -0.00054 0.00611 0.00022 101 2PX -0.00205 -0.00215 -0.01484 -0.00478 0.02942 102 2PY -0.00056 -0.00832 0.00202 0.00346 -0.00052 103 2PZ -0.00949 -0.00436 -0.01354 0.00344 -0.02346 104 3S 0.00051 -0.01310 -0.00348 -0.00861 -0.00011 105 3PX 0.00216 -0.00211 -0.01332 -0.00362 0.02138 106 3PY -0.00026 -0.00895 0.00173 -0.00174 -0.00048 107 3PZ -0.00879 -0.00315 -0.00844 0.00396 -0.01669 108 4XX -0.00024 0.00113 -0.00004 0.00074 0.00012 109 4YY 0.00005 0.00028 0.00036 0.00038 0.00001 110 4ZZ -0.00012 0.00126 -0.00019 0.00062 -0.00014 111 4XY -0.00076 -0.00039 -0.00043 -0.00010 0.00077 112 4XZ -0.00009 0.00014 -0.00026 -0.00040 -0.00001 113 4YZ -0.00018 -0.00033 -0.00119 -0.00022 -0.00086 114 12 O 1S 0.00379 -0.04814 0.00348 0.03130 0.00045 115 2S -0.00908 0.11032 -0.01008 -0.08068 0.00113 116 2PX 0.14980 0.05615 0.10937 0.03212 0.11643 117 2PY 0.05412 -0.38653 0.05518 -0.15311 0.00402 118 2PZ 0.11120 0.05317 0.23611 0.01509 0.04634 119 3S 0.00167 0.02670 0.00705 -0.13691 0.00394 120 3PX 0.07892 0.03094 0.07880 0.01988 0.07447 121 3PY 0.02857 -0.20309 0.03002 -0.08118 0.00243 122 3PZ 0.07937 0.03089 0.13893 0.00817 0.02818 123 4XX 0.00274 -0.00498 0.00026 -0.00150 0.00063 124 4YY -0.00501 0.02180 -0.00513 0.01505 -0.00108 125 4ZZ 0.00068 -0.00458 0.00212 -0.00187 -0.00003 126 4XY -0.01604 -0.00452 -0.00318 -0.00246 -0.00720 127 4XZ 0.00147 0.00135 0.00197 -0.00019 0.00091 128 4YZ -0.00316 -0.00399 -0.01893 -0.00180 -0.00340 129 13 C 1S 0.00080 0.00124 0.00310 -0.00158 0.00117 130 2S 0.00142 -0.00433 -0.00735 0.00600 -0.00093 131 2PX -0.00147 0.01044 0.02074 -0.01740 -0.00523 132 2PY -0.00079 -0.00491 -0.00873 0.00717 0.00145 133 2PZ -0.00417 0.00707 0.01612 0.00617 0.00552 134 3S -0.01433 0.00282 -0.00300 0.00526 -0.00541 135 3PX -0.00069 0.01262 0.01882 -0.00968 -0.00099 136 3PY -0.01152 0.00821 -0.00303 0.00125 -0.00135 137 3PZ -0.00639 0.00386 0.01383 0.00081 0.00038 138 4XX 0.00023 0.00048 0.00140 -0.00164 -0.00014 139 4YY -0.00020 -0.00012 -0.00015 0.00012 0.00013 140 4ZZ 0.00088 -0.00081 -0.00069 0.00103 0.00038 141 4XY 0.00052 -0.00018 0.00016 0.00012 0.00011 142 4XZ 0.00022 -0.00004 0.00114 -0.00036 0.00019 143 4YZ 0.00016 -0.00031 -0.00025 0.00045 0.00009 144 14 C 1S 0.00015 0.00020 0.00065 -0.00349 -0.00179 145 2S -0.00039 0.00138 -0.00071 -0.00006 0.00035 146 2PX -0.00113 0.00794 0.02108 -0.00855 0.00460 147 2PY 0.00084 -0.00209 -0.00366 0.01234 0.00713 148 2PZ 0.00177 0.00975 0.02453 -0.02246 -0.00268 149 3S 0.00490 -0.01296 -0.01207 0.00875 0.00024 150 3PX -0.00493 0.01369 0.02211 -0.01254 0.00146 151 3PY 0.00493 -0.00706 -0.00885 0.01051 0.00356 152 3PZ -0.00106 0.00290 0.01180 -0.01213 -0.00195 153 4XX 0.00011 -0.00036 -0.00072 0.00006 -0.00015 154 4YY 0.00017 0.00005 -0.00014 0.00026 0.00022 155 4ZZ -0.00005 0.00041 0.00072 -0.00028 0.00000 156 4XY 0.00048 -0.00003 0.00004 -0.00078 -0.00016 157 4XZ 0.00006 0.00023 0.00026 -0.00006 0.00020 158 4YZ 0.00076 -0.00046 -0.00046 -0.00003 0.00029 159 15 C 1S -0.00195 0.00124 0.00113 0.00498 0.00131 160 2S 0.00563 -0.00377 -0.00609 0.00632 0.00279 161 2PX 0.00830 0.00125 0.00477 -0.01328 0.00193 162 2PY 0.00271 -0.00122 -0.00076 -0.00835 -0.00608 163 2PZ 0.01455 -0.00408 -0.00121 -0.01097 0.00278 164 3S 0.01583 0.00637 0.02229 -0.00849 0.00636 165 3PX 0.00627 -0.00302 -0.00736 -0.00349 0.00124 166 3PY 0.00914 -0.00436 -0.00508 0.00318 0.00040 167 3PZ 0.01849 -0.00062 0.00973 -0.01049 0.00531 168 4XX -0.00018 0.00055 0.00092 -0.00048 -0.00024 169 4YY 0.00016 -0.00007 -0.00060 0.00062 0.00009 170 4ZZ 0.00039 -0.00027 -0.00065 -0.00021 -0.00006 171 4XY 0.00004 -0.00028 -0.00088 0.00024 -0.00006 172 4XZ -0.00068 0.00034 0.00060 0.00008 0.00009 173 4YZ -0.00001 -0.00046 -0.00139 0.00095 0.00008 174 16 C 1S 0.00504 -0.00171 0.00135 0.00388 0.00155 175 2S -0.01265 0.00175 -0.00214 -0.00966 -0.00923 176 2PX 0.00602 -0.01170 -0.02295 0.00580 0.00139 177 2PY -0.00777 -0.00197 -0.00875 0.00777 -0.00454 178 2PZ -0.01040 -0.00275 -0.01907 -0.00870 -0.00455 179 3S -0.02680 0.01249 -0.03183 0.00325 -0.01674 180 3PX -0.01253 -0.01094 -0.02535 0.00164 -0.00539 181 3PY -0.00130 -0.00159 -0.00027 -0.00059 -0.00374 182 3PZ 0.00399 0.00073 -0.01375 -0.00178 -0.00143 183 4XX 0.00360 -0.00099 0.00137 0.00045 0.00116 184 4YY -0.00203 -0.00009 -0.00126 0.00066 -0.00048 185 4ZZ -0.00124 0.00036 0.00121 -0.00047 -0.00012 186 4XY -0.00059 0.00055 0.00007 -0.00067 -0.00026 187 4XZ 0.00175 0.00019 0.00173 -0.00073 0.00058 188 4YZ -0.00066 0.00006 -0.00002 0.00040 -0.00008 189 17 H 1S -0.00090 0.00202 0.00250 0.00049 0.00026 190 2S -0.00407 0.00690 0.00103 -0.00208 0.00198 191 18 H 1S -0.00097 -0.00055 -0.00111 0.00182 0.00066 192 2S 0.00227 -0.00492 -0.00568 0.00505 0.00141 193 19 H 1S 0.00132 0.00042 0.00062 -0.00346 -0.00168 194 2S -0.00177 0.00296 0.00597 -0.00722 -0.00232 195 20 H 1S -0.01381 0.00091 -0.00776 0.00175 -0.00629 196 2S -0.00427 -0.00509 0.00805 0.00170 0.00546 197 21 C 1S 0.00290 -0.00115 0.00352 -0.00143 -0.00070 198 2S -0.00736 0.00249 -0.00935 0.00174 -0.00106 199 2PX 0.00847 -0.00757 0.01036 -0.00015 0.00114 200 2PY -0.00850 0.00590 0.00233 -0.02146 -0.00762 201 2PZ 0.00937 0.00000 0.00452 0.00060 0.00063 202 3S -0.00399 -0.00725 -0.00962 0.00064 0.00028 203 3PX 0.01476 -0.00765 0.01109 0.00048 0.00507 204 3PY -0.01124 -0.00088 0.00688 -0.01230 -0.00484 205 3PZ -0.00311 -0.00145 -0.00593 0.00647 -0.00121 206 4XX 0.00047 -0.00004 0.00001 -0.00001 0.00011 207 4YY -0.00074 -0.00017 -0.00029 0.00020 -0.00017 208 4ZZ 0.00064 -0.00030 0.00018 0.00013 -0.00002 209 4XY -0.00032 -0.00014 -0.00138 -0.00055 -0.00023 210 4XZ 0.00092 -0.00039 0.00129 0.00010 0.00019 211 4YZ 0.00041 -0.00043 -0.00113 0.00104 0.00029 212 22 H 1S -0.00414 0.00423 -0.00531 0.00026 0.00015 213 2S 0.00643 0.00387 0.00516 -0.00408 0.00324 214 23 H 1S 0.00748 -0.00264 0.00531 0.00064 0.00069 215 2S 0.00926 0.00019 0.01089 -0.00374 0.00039 91 92 93 94 95 91 3PY 0.03597 92 3PZ -0.00080 0.06508 93 4XX 0.00512 -0.00032 0.00216 94 4YY -0.00312 0.00094 -0.00121 0.00226 95 4ZZ 0.00474 -0.00101 0.00096 -0.00070 0.00175 96 4XY -0.00055 0.00220 -0.00031 0.00005 0.00041 97 4XZ 0.00010 -0.00093 -0.00018 0.00055 -0.00030 98 4YZ 0.00034 0.00669 0.00020 0.00005 -0.00019 99 11 O 1S 0.00182 -0.00013 0.00011 -0.00037 0.00009 100 2S 0.00103 -0.00041 -0.00033 0.00117 -0.00009 101 2PX 0.00238 -0.02446 0.00038 0.00080 -0.00163 102 2PY 0.01806 -0.00298 -0.00051 0.00251 0.00055 103 2PZ -0.00101 0.01508 0.00012 0.00092 -0.00158 104 3S -0.00895 -0.00083 -0.00044 0.00210 -0.00001 105 3PX 0.00090 -0.01761 0.00029 0.00062 -0.00127 106 3PY 0.00759 -0.00140 -0.00043 0.00175 0.00035 107 3PZ -0.00254 0.01083 -0.00008 0.00078 -0.00119 108 4XX -0.00016 -0.00005 0.00002 -0.00008 -0.00006 109 4YY 0.00173 -0.00011 0.00001 0.00005 0.00005 110 4ZZ -0.00021 0.00008 -0.00006 -0.00005 -0.00001 111 4XY 0.00017 -0.00089 0.00002 0.00002 -0.00004 112 4XZ -0.00004 -0.00008 -0.00001 0.00006 -0.00002 113 4YZ 0.00037 0.00029 0.00003 0.00002 -0.00006 114 12 O 1S 0.00298 0.00021 0.00574 -0.01313 0.00484 115 2S -0.03149 -0.00026 -0.01260 0.02427 -0.01075 116 2PX -0.01410 0.04579 -0.00987 0.00584 0.00077 117 2PY 0.05491 0.01283 0.01971 -0.00717 0.01850 118 2PZ -0.00678 0.15490 -0.00105 0.00382 -0.00526 119 3S -0.03498 0.00488 -0.01077 0.02861 -0.00834 120 3PX -0.01014 0.02806 -0.00666 0.00394 0.00099 121 3PY 0.03093 0.00710 0.01033 -0.00361 0.00959 122 3PZ -0.00473 0.09751 -0.00054 0.00258 -0.00344 123 4XX 0.00258 0.00009 0.00059 -0.00063 0.00050 124 4YY -0.00374 -0.00181 -0.00115 -0.00004 -0.00120 125 4ZZ 0.00228 0.00088 0.00046 -0.00050 0.00050 126 4XY 0.00077 -0.00340 0.00050 -0.00031 0.00014 127 4XZ -0.00052 0.00121 -0.00015 0.00025 -0.00014 128 4YZ 0.00063 -0.01001 0.00017 -0.00023 0.00029 129 13 C 1S 0.00182 0.00067 0.00057 0.00008 -0.00023 130 2S -0.00563 -0.00123 -0.00098 0.00019 0.00075 131 2PX 0.00365 0.01495 0.00081 -0.00040 -0.00078 132 2PY 0.00156 -0.00599 -0.00036 0.00025 0.00058 133 2PZ -0.00606 0.00566 0.00043 0.00029 -0.00058 134 3S -0.00367 -0.00125 -0.00146 0.00080 0.00052 135 3PX 0.00209 0.00983 0.00108 -0.00014 -0.00120 136 3PY -0.00127 -0.00394 -0.00051 0.00093 -0.00055 137 3PZ -0.00238 0.00521 0.00027 0.00007 -0.00010 138 4XX 0.00108 0.00098 0.00029 -0.00011 -0.00012 139 4YY -0.00005 -0.00024 -0.00012 0.00003 0.00007 140 4ZZ -0.00044 -0.00058 -0.00001 -0.00002 0.00002 141 4XY -0.00010 0.00034 -0.00002 -0.00005 0.00001 142 4XZ 0.00043 0.00036 0.00025 -0.00009 -0.00011 143 4YZ -0.00001 -0.00004 -0.00001 -0.00001 0.00003 144 14 C 1S 0.00058 0.00012 0.00003 0.00005 0.00010 145 2S 0.00033 0.00175 -0.00025 -0.00009 -0.00013 146 2PX 0.00696 0.01033 0.00324 -0.00076 -0.00170 147 2PY -0.00052 -0.00329 -0.00021 -0.00022 -0.00018 148 2PZ 0.01115 0.01953 0.00344 -0.00129 -0.00161 149 3S -0.00220 -0.00240 0.00011 -0.00066 0.00035 150 3PX 0.00761 0.01070 0.00267 -0.00046 -0.00169 151 3PY -0.00230 -0.00448 -0.00026 -0.00020 0.00018 152 3PZ 0.00698 0.00911 0.00289 -0.00120 -0.00114 153 4XX 0.00008 -0.00048 -0.00001 0.00001 0.00004 154 4YY -0.00031 -0.00010 -0.00004 0.00002 -0.00001 155 4ZZ -0.00005 0.00038 0.00000 0.00002 0.00000 156 4XY 0.00069 0.00063 0.00006 -0.00005 -0.00002 157 4XZ 0.00018 -0.00004 0.00007 -0.00002 -0.00005 158 4YZ 0.00003 -0.00003 0.00000 0.00001 0.00003 159 15 C 1S -0.00061 -0.00138 0.00024 -0.00013 -0.00012 160 2S -0.00702 -0.00232 -0.00090 0.00042 0.00004 161 2PX 0.01779 0.01256 0.00132 -0.00088 -0.00046 162 2PY -0.00295 0.00112 -0.00028 0.00056 0.00033 163 2PZ -0.00015 0.00714 0.00047 0.00018 0.00021 164 3S 0.00087 0.01482 0.00038 -0.00004 -0.00059 165 3PX 0.00621 0.00165 0.00072 -0.00026 -0.00031 166 3PY -0.00441 -0.00012 -0.00041 0.00039 0.00006 167 3PZ 0.00505 0.01196 0.00107 -0.00024 -0.00033 168 4XX 0.00033 0.00002 0.00023 -0.00007 -0.00010 169 4YY 0.00004 -0.00001 -0.00006 0.00001 -0.00001 170 4ZZ 0.00013 0.00004 -0.00018 0.00006 0.00011 171 4XY 0.00003 -0.00036 -0.00019 0.00004 0.00009 172 4XZ 0.00006 0.00002 0.00013 -0.00005 -0.00005 173 4YZ -0.00078 -0.00091 -0.00019 0.00010 0.00009 174 16 C 1S -0.00137 0.00324 -0.00072 -0.00005 -0.00006 175 2S 0.00999 -0.00500 0.00069 -0.00011 0.00028 176 2PX -0.02081 -0.00652 -0.00499 0.00236 0.00253 177 2PY -0.00169 -0.00257 0.00018 0.00016 -0.00022 178 2PZ 0.01380 -0.00212 -0.00423 0.00095 0.00263 179 3S 0.00368 -0.02075 0.00060 0.00008 -0.00093 180 3PX -0.00850 -0.01175 -0.00304 0.00113 0.00222 181 3PY 0.00422 0.00167 0.00101 -0.00117 0.00014 182 3PZ 0.00399 0.00002 -0.00296 0.00074 0.00149 183 4XX -0.00033 0.00153 0.00018 -0.00009 -0.00012 184 4YY 0.00030 -0.00089 -0.00015 0.00005 0.00009 185 4ZZ -0.00013 0.00001 0.00010 -0.00006 0.00001 186 4XY 0.00047 -0.00005 0.00005 0.00002 -0.00004 187 4XZ 0.00073 0.00108 0.00031 -0.00012 -0.00011 188 4YZ -0.00050 -0.00038 0.00005 0.00004 -0.00005 189 17 H 1S -0.00392 0.00178 -0.00047 0.00012 0.00003 190 2S -0.00356 -0.00076 -0.00041 0.00054 -0.00067 191 18 H 1S -0.00245 -0.00221 -0.00022 0.00031 0.00011 192 2S -0.00405 -0.00455 -0.00039 0.00025 0.00040 193 19 H 1S 0.00406 0.00239 -0.00018 -0.00006 -0.00004 194 2S 0.00711 0.00421 0.00005 -0.00026 0.00008 195 20 H 1S 0.00522 -0.00466 -0.00024 0.00019 0.00026 196 2S -0.00142 0.00173 -0.00174 0.00173 0.00074 197 21 C 1S -0.00158 0.00234 0.00023 -0.00016 -0.00013 198 2S 0.00346 -0.00481 -0.00092 0.00021 0.00056 199 2PX -0.00743 0.00349 0.00000 -0.00007 0.00013 200 2PY 0.01773 0.00259 -0.00032 -0.00045 0.00046 201 2PZ -0.01070 0.00516 0.00127 -0.00038 -0.00138 202 3S 0.00518 -0.00379 0.00031 -0.00073 0.00039 203 3PX -0.00266 0.00583 -0.00042 -0.00033 0.00083 204 3PY 0.00935 0.00268 -0.00013 -0.00033 0.00067 205 3PZ -0.00899 -0.00233 0.00010 0.00036 -0.00104 206 4XX -0.00025 0.00044 -0.00003 0.00000 -0.00001 207 4YY 0.00027 -0.00025 -0.00011 0.00002 0.00010 208 4ZZ -0.00037 -0.00012 0.00017 -0.00005 -0.00010 209 4XY 0.00017 -0.00061 -0.00017 0.00007 0.00012 210 4XZ -0.00045 0.00043 0.00022 -0.00005 -0.00016 211 4YZ -0.00082 -0.00038 -0.00013 0.00006 0.00006 212 22 H 1S 0.00282 -0.00113 -0.00072 0.00011 0.00042 213 2S 0.00435 0.00374 -0.00169 -0.00015 0.00207 214 23 H 1S -0.00670 0.00259 0.00113 -0.00039 -0.00092 215 2S -0.00330 0.00431 0.00259 -0.00076 -0.00160 96 97 98 99 100 96 4XY 0.00399 97 4XZ -0.00030 0.00058 98 4YZ -0.00133 -0.00019 0.00308 99 11 O 1S 0.00001 0.00004 0.00003 2.07880 100 2S -0.00011 0.00006 -0.00016 -0.18258 0.50275 101 2PX 0.00171 0.00025 0.00396 0.00357 -0.01037 102 2PY -0.00062 0.00041 -0.00086 0.04157 -0.08231 103 2PZ 0.00345 0.00021 0.00476 0.00242 -0.00714 104 3S 0.00021 0.00024 0.00032 -0.24637 0.60155 105 3PX 0.00099 0.00021 0.00339 0.00268 -0.00714 106 3PY -0.00033 0.00032 -0.00055 0.03430 -0.06275 107 3PZ 0.00293 0.00016 0.00357 0.00175 -0.00445 108 4XX 0.00002 -0.00001 0.00000 -0.01192 -0.01061 109 4YY -0.00004 0.00001 -0.00006 -0.01047 -0.01115 110 4ZZ -0.00003 -0.00001 -0.00002 -0.01282 -0.00868 111 4XY 0.00011 0.00000 0.00012 0.00025 -0.00042 112 4XZ 0.00003 0.00001 0.00004 -0.00138 0.00298 113 4YZ 0.00009 0.00001 0.00018 0.00030 -0.00059 114 12 O 1S 0.00186 -0.00151 0.00129 0.00020 -0.00032 115 2S -0.00389 0.00334 -0.00263 -0.00032 0.00228 116 2PX 0.04610 -0.00276 -0.01104 -0.00016 0.00033 117 2PY 0.00617 -0.00391 0.00314 0.00018 -0.00436 118 2PZ -0.01139 -0.00290 0.03895 -0.00018 -0.00012 119 3S -0.00265 0.00359 -0.00196 -0.00116 -0.00212 120 3PX 0.03299 -0.00200 -0.00847 -0.00011 -0.00005 121 3PY 0.00356 -0.00230 0.00160 0.00024 -0.00142 122 3PZ -0.00876 -0.00196 0.02730 -0.00012 -0.00021 123 4XX 0.00031 -0.00007 0.00001 0.00004 0.00027 124 4YY -0.00047 0.00010 -0.00031 0.00012 0.00025 125 4ZZ 0.00001 -0.00009 0.00028 0.00003 0.00030 126 4XY -0.00168 0.00012 0.00003 -0.00001 0.00005 127 4XZ 0.00011 0.00004 0.00014 -0.00001 -0.00002 128 4YZ 0.00004 0.00018 -0.00172 -0.00002 0.00003 129 13 C 1S -0.00029 0.00028 -0.00058 -0.00019 0.00108 130 2S 0.00059 -0.00067 0.00129 0.00028 -0.00053 131 2PX -0.00095 0.00160 -0.00261 -0.00148 0.00084 132 2PY 0.00068 -0.00070 0.00118 -0.00181 0.00453 133 2PZ -0.00043 0.00072 -0.00161 0.00029 0.00116 134 3S 0.00092 -0.00056 0.00228 0.00539 -0.00709 135 3PX -0.00134 0.00182 -0.00312 0.00134 -0.00499 136 3PY 0.00002 0.00026 0.00120 -0.00306 0.00752 137 3PZ -0.00020 0.00063 -0.00200 0.00104 -0.00132 138 4XX -0.00008 0.00011 -0.00033 0.00007 -0.00037 139 4YY 0.00005 -0.00002 0.00006 0.00003 -0.00018 140 4ZZ 0.00000 -0.00005 0.00008 -0.00012 -0.00002 141 4XY 0.00000 -0.00002 0.00001 0.00010 -0.00039 142 4XZ -0.00007 0.00005 -0.00028 0.00007 -0.00006 143 4YZ 0.00002 -0.00005 0.00006 -0.00004 0.00017 144 14 C 1S 0.00006 -0.00006 -0.00005 0.00025 -0.00036 145 2S -0.00002 0.00020 0.00017 -0.00009 -0.00045 146 2PX -0.00108 0.00106 -0.00370 0.00096 -0.00029 147 2PY -0.00005 -0.00002 0.00037 0.00059 -0.00085 148 2PZ -0.00124 0.00158 -0.00414 -0.00014 -0.00063 149 3S -0.00017 -0.00054 0.00091 -0.00406 0.00739 150 3PX -0.00072 0.00134 -0.00331 0.00162 -0.00229 151 3PY -0.00020 -0.00035 0.00076 -0.00053 0.00115 152 3PZ -0.00087 0.00093 -0.00323 -0.00124 0.00256 153 4XX 0.00004 -0.00006 0.00006 0.00007 -0.00009 154 4YY -0.00002 0.00000 0.00003 0.00005 -0.00002 155 4ZZ 0.00001 0.00001 -0.00006 0.00005 0.00002 156 4XY -0.00005 0.00000 0.00000 0.00000 -0.00001 157 4XZ -0.00003 0.00003 -0.00007 0.00008 -0.00019 158 4YZ 0.00000 -0.00009 0.00010 0.00004 -0.00005 159 15 C 1S -0.00013 -0.00007 -0.00020 -0.00015 0.00032 160 2S -0.00005 -0.00021 0.00080 -0.00007 0.00015 161 2PX -0.00062 -0.00007 -0.00039 0.00008 0.00053 162 2PY 0.00013 -0.00026 0.00029 -0.00050 0.00098 163 2PZ -0.00019 -0.00106 0.00109 0.00015 -0.00003 164 3S -0.00051 0.00043 0.00025 0.00272 -0.00647 165 3PX -0.00038 -0.00034 0.00013 -0.00102 0.00309 166 3PY -0.00027 -0.00039 0.00134 -0.00164 0.00369 167 3PZ -0.00014 -0.00041 0.00053 0.00114 -0.00254 168 4XX -0.00013 0.00012 -0.00024 0.00000 0.00000 169 4YY 0.00001 0.00002 0.00006 -0.00003 0.00004 170 4ZZ 0.00011 -0.00010 0.00016 -0.00006 0.00015 171 4XY 0.00007 -0.00006 0.00016 -0.00003 0.00002 172 4XZ -0.00001 0.00002 -0.00013 -0.00001 0.00006 173 4YZ 0.00007 -0.00008 0.00026 -0.00002 0.00007 174 16 C 1S 0.00032 -0.00062 0.00055 -0.00011 0.00048 175 2S -0.00044 0.00118 -0.00090 0.00021 -0.00094 176 2PX 0.00246 -0.00309 0.00507 -0.00057 0.00105 177 2PY -0.00022 0.00033 0.00076 -0.00070 0.00114 178 2PZ 0.00248 -0.00156 0.00349 -0.00022 0.00031 179 3S -0.00273 0.00185 -0.00094 -0.00056 0.00135 180 3PX 0.00126 -0.00220 0.00259 -0.00044 0.00154 181 3PY -0.00186 0.00025 -0.00046 0.00039 -0.00156 182 3PZ -0.00033 -0.00119 0.00350 -0.00027 0.00028 183 4XX -0.00014 -0.00006 0.00004 -0.00002 0.00003 184 4YY 0.00008 0.00002 0.00008 -0.00008 0.00014 185 4ZZ 0.00002 0.00000 -0.00019 0.00005 -0.00020 186 4XY -0.00007 0.00007 -0.00007 -0.00004 0.00013 187 4XZ -0.00014 -0.00001 -0.00012 0.00004 -0.00013 188 4YZ -0.00004 0.00005 -0.00005 -0.00003 0.00004 189 17 H 1S -0.00005 0.00012 0.00001 0.00173 -0.00341 190 2S -0.00007 0.00063 0.00041 -0.00515 0.01047 191 18 H 1S 0.00018 -0.00028 0.00030 -0.00006 0.00077 192 2S 0.00017 -0.00061 0.00066 -0.00032 0.00153 193 19 H 1S -0.00008 0.00021 -0.00020 -0.00014 0.00025 194 2S 0.00031 0.00028 -0.00078 0.00042 -0.00126 195 20 H 1S 0.00030 0.00060 0.00031 -0.00043 0.00065 196 2S 0.00487 -0.00043 0.00126 -0.00068 0.00134 197 21 C 1S -0.00029 -0.00014 -0.00031 0.00002 -0.00061 198 2S 0.00075 0.00007 0.00101 -0.00031 0.00194 199 2PX -0.00021 -0.00131 -0.00052 -0.00003 -0.00184 200 2PY 0.00042 0.00068 -0.00111 0.00051 -0.00279 201 2PZ -0.00093 0.00022 -0.00054 -0.00004 -0.00176 202 3S 0.00217 -0.00022 0.00106 0.00118 -0.00353 203 3PX 0.00034 -0.00114 -0.00031 -0.00101 0.00106 204 3PY 0.00123 0.00008 -0.00091 0.00026 -0.00048 205 3PZ 0.00082 -0.00007 0.00184 -0.00068 0.00031 206 4XX 0.00000 0.00001 0.00005 -0.00006 0.00010 207 4YY 0.00008 -0.00004 0.00006 -0.00001 0.00001 208 4ZZ -0.00010 0.00001 -0.00008 -0.00003 0.00000 209 4XY 0.00011 -0.00010 0.00018 0.00007 -0.00022 210 4XZ -0.00016 0.00002 -0.00018 -0.00002 -0.00009 211 4YZ 0.00008 -0.00012 0.00020 0.00000 0.00002 212 22 H 1S 0.00026 0.00059 0.00023 -0.00019 0.00137 213 2S -0.00072 -0.00003 -0.00145 -0.00068 0.00266 214 23 H 1S -0.00080 -0.00013 -0.00076 -0.00005 -0.00116 215 2S -0.00217 0.00052 -0.00263 0.00025 -0.00140 101 102 103 104 105 101 2PX 0.74001 102 2PY -0.00375 0.60252 103 2PZ -0.13055 0.01037 0.64453 104 3S -0.00762 -0.24765 -0.00316 0.77264 105 3PX 0.51018 -0.01082 -0.10125 -0.00248 0.35396 106 3PY -0.00634 0.32613 0.00603 -0.15099 -0.00876 107 3PZ -0.10109 0.00262 0.43483 -0.00016 -0.07726 108 4XX 0.00380 -0.00523 -0.00172 -0.01144 0.00260 109 4YY -0.00242 0.04179 -0.00167 -0.02406 -0.00215 110 4ZZ -0.00166 -0.00526 0.00343 -0.00899 -0.00112 111 4XY 0.03420 0.00195 -0.00065 -0.00086 0.02286 112 4XZ 0.00253 -0.00020 0.00305 0.00380 0.00166 113 4YZ -0.00080 0.00173 0.03363 -0.00070 -0.00099 114 12 O 1S -0.00016 -0.00018 -0.00018 -0.00116 -0.00011 115 2S 0.00033 0.00436 -0.00012 -0.00212 -0.00005 116 2PX 0.02790 -0.00394 0.02911 0.00117 0.01994 117 2PY 0.00394 -0.00082 0.00668 0.01440 0.00381 118 2PZ 0.02911 -0.00668 0.04768 0.00193 0.02406 119 3S 0.00117 -0.01440 0.00193 0.01365 0.00165 120 3PX 0.01994 -0.00381 0.02407 0.00165 0.01414 121 3PY 0.00247 0.00372 0.00434 0.00406 0.00208 122 3PZ 0.02418 -0.00502 0.03577 0.00233 0.01994 123 4XX 0.00022 0.00118 0.00010 -0.00017 0.00015 124 4YY -0.00018 0.00057 -0.00047 -0.00175 -0.00025 125 4ZZ -0.00007 0.00140 -0.00020 -0.00008 -0.00007 126 4XY -0.00083 0.00035 -0.00110 0.00008 -0.00069 127 4XZ 0.00031 0.00009 0.00042 0.00013 0.00025 128 4YZ -0.00100 0.00031 -0.00152 0.00016 -0.00079 129 13 C 1S 0.00677 -0.00171 0.00658 -0.00118 0.00374 130 2S -0.01462 0.00124 -0.01323 -0.00582 -0.00786 131 2PX 0.04253 -0.00639 0.05132 0.01868 0.03153 132 2PY 0.01206 -0.00043 -0.00224 0.00656 0.00786 133 2PZ 0.02660 -0.00376 0.03228 -0.01053 0.01944 134 3S -0.04732 0.02927 -0.02953 -0.01885 -0.02998 135 3PX 0.01494 -0.00199 0.01997 0.00055 0.01243 136 3PY 0.03252 -0.00191 0.00175 0.01197 0.02331 137 3PZ 0.00074 0.00436 0.03813 -0.00682 0.00021 138 4XX 0.00005 -0.00061 0.00192 0.00007 -0.00036 139 4YY -0.00034 0.00012 0.00005 -0.00084 -0.00009 140 4ZZ -0.00065 -0.00006 -0.00159 0.00030 -0.00040 141 4XY 0.00083 -0.00026 0.00067 -0.00003 0.00057 142 4XZ -0.00132 -0.00033 -0.00016 -0.00035 -0.00122 143 4YZ 0.00072 -0.00019 0.00068 -0.00015 0.00044 144 14 C 1S -0.00187 0.00039 -0.00267 -0.00178 -0.00156 145 2S 0.00492 0.00046 0.00633 0.00483 0.00340 146 2PX -0.00924 -0.00241 0.00320 -0.01348 -0.00965 147 2PY -0.00537 0.00010 -0.00470 -0.00582 -0.00526 148 2PZ 0.00530 -0.00460 0.01988 0.00435 0.00245 149 3S 0.00043 -0.00452 0.01640 0.01264 -0.00118 150 3PX -0.00259 -0.00003 0.00207 -0.00795 -0.00345 151 3PY -0.00309 0.00118 -0.01472 -0.00195 -0.00211 152 3PZ 0.00503 -0.00687 0.01746 0.00329 0.00139 153 4XX -0.00189 0.00050 -0.00232 -0.00029 -0.00132 154 4YY 0.00010 0.00011 0.00026 -0.00032 0.00002 155 4ZZ 0.00176 -0.00014 0.00166 -0.00008 0.00126 156 4XY -0.00112 0.00010 -0.00142 0.00016 -0.00082 157 4XZ -0.00069 0.00021 -0.00126 -0.00036 -0.00053 158 4YZ -0.00130 0.00026 -0.00232 -0.00049 -0.00102 159 15 C 1S 0.00116 0.00010 -0.00008 0.00085 0.00117 160 2S -0.00084 0.00069 0.00039 -0.00005 -0.00083 161 2PX -0.01550 0.00393 -0.03223 -0.00350 -0.01302 162 2PY 0.00195 0.00079 -0.00180 0.00380 0.00284 163 2PZ -0.02024 0.00420 -0.03703 -0.00274 -0.01570 164 3S -0.00309 -0.00746 0.00564 -0.00575 -0.00269 165 3PX -0.01281 0.00731 -0.02765 -0.00105 -0.01024 166 3PY 0.00145 0.00256 -0.00470 0.00452 0.00183 167 3PZ -0.01638 0.00180 -0.03117 -0.00492 -0.01248 168 4XX 0.00056 -0.00030 0.00093 -0.00015 0.00041 169 4YY 0.00014 0.00014 0.00014 0.00027 0.00010 170 4ZZ 0.00021 0.00026 -0.00070 0.00024 0.00016 171 4XY 0.00078 0.00017 -0.00033 0.00038 0.00064 172 4XZ -0.00033 0.00015 -0.00057 -0.00008 -0.00030 173 4YZ -0.00037 0.00038 -0.00145 0.00005 -0.00017 174 16 C 1S -0.00182 0.00067 -0.00585 -0.00064 -0.00159 175 2S 0.00683 -0.00327 0.01209 0.00183 0.00518 176 2PX -0.01243 0.00712 -0.03065 0.00419 -0.00805 177 2PY -0.00553 0.00369 -0.01292 0.00617 -0.00351 178 2PZ -0.00511 0.00549 -0.02075 0.00327 -0.00402 179 3S 0.00139 0.00251 0.02649 0.00031 0.00260 180 3PX -0.01369 0.01065 -0.03503 0.00215 -0.00986 181 3PY 0.00280 -0.00890 -0.01186 0.00086 0.00109 182 3PZ -0.00344 0.00242 -0.02332 0.00244 -0.00226 183 4XX -0.00122 -0.00002 -0.00285 -0.00035 -0.00099 184 4YY 0.00077 -0.00020 0.00018 0.00024 0.00060 185 4ZZ 0.00024 -0.00053 0.00081 0.00001 0.00010 186 4XY 0.00011 0.00006 -0.00005 -0.00004 0.00012 187 4XZ -0.00114 -0.00003 -0.00225 -0.00031 -0.00094 188 4YZ -0.00006 0.00023 -0.00063 0.00021 -0.00002 189 17 H 1S -0.00696 0.00220 -0.00318 -0.00998 -0.00347 190 2S 0.06200 -0.01962 0.01090 0.01585 0.04476 191 18 H 1S -0.00068 0.00058 -0.00226 -0.00236 -0.00065 192 2S 0.00140 0.00029 -0.00657 -0.00320 0.00096 193 19 H 1S 0.00399 -0.00020 0.00348 0.00154 0.00306 194 2S 0.00499 -0.00219 0.00602 0.00084 0.00367 195 20 H 1S 0.00110 0.00167 -0.00176 0.00442 0.00117 196 2S 0.00233 0.00616 -0.00085 0.00492 0.00239 197 21 C 1S -0.00295 0.00001 -0.00211 0.00226 -0.00208 198 2S 0.00604 0.00029 0.00706 -0.00379 0.00483 199 2PX -0.00180 -0.00218 -0.00294 0.00829 -0.00141 200 2PY -0.00145 -0.00247 0.01135 0.00618 -0.00211 201 2PZ -0.00792 0.00139 -0.00490 0.00942 -0.00602 202 3S 0.01872 -0.01077 0.00591 -0.00825 0.01378 203 3PX 0.00821 -0.00831 0.00270 0.00730 0.00468 204 3PY -0.00826 0.00497 0.00781 0.00281 -0.00693 205 3PZ 0.00732 -0.00016 0.01423 0.00687 0.00646 206 4XX 0.00027 -0.00009 0.00071 0.00035 0.00015 207 4YY 0.00035 -0.00020 0.00033 -0.00029 0.00033 208 4ZZ -0.00120 -0.00009 -0.00055 0.00045 -0.00087 209 4XY -0.00145 0.00029 -0.00176 -0.00021 -0.00110 210 4XZ -0.00167 0.00002 -0.00129 0.00052 -0.00129 211 4YZ -0.00132 0.00023 -0.00200 -0.00029 -0.00089 212 22 H 1S 0.00427 0.00130 0.00196 -0.00325 0.00298 213 2S -0.00053 -0.00086 -0.00966 0.00000 -0.00184 214 23 H 1S -0.00832 -0.00010 -0.00604 0.00647 -0.00630 215 2S -0.02401 0.00309 -0.02168 0.00422 -0.01824 106 107 108 109 110 106 3PY 0.17852 107 3PZ 0.00186 0.29554 108 4XX -0.00264 -0.00119 0.00052 109 4YY 0.02254 -0.00137 -0.00014 0.00322 110 4ZZ -0.00265 0.00233 0.00041 -0.00017 0.00042 111 4XY 0.00086 -0.00090 0.00017 0.00000 -0.00009 112 4XZ -0.00017 0.00197 -0.00006 -0.00008 -0.00005 113 4YZ 0.00091 0.02208 -0.00009 -0.00002 0.00017 114 12 O 1S -0.00024 -0.00012 0.00004 0.00012 0.00003 115 2S 0.00142 -0.00021 0.00027 0.00025 0.00030 116 2PX -0.00247 0.02418 0.00022 -0.00018 -0.00007 117 2PY 0.00372 0.00502 -0.00118 -0.00057 -0.00140 118 2PZ -0.00434 0.03577 0.00010 -0.00047 -0.00020 119 3S -0.00406 0.00233 -0.00017 -0.00175 -0.00008 120 3PX -0.00208 0.01994 0.00015 -0.00025 -0.00007 121 3PY 0.00309 0.00312 -0.00053 0.00015 -0.00070 122 3PZ -0.00312 0.02688 0.00004 -0.00040 -0.00016 123 4XX 0.00053 0.00004 -0.00002 0.00010 -0.00003 124 4YY -0.00015 -0.00040 0.00010 0.00010 0.00010 125 4ZZ 0.00070 -0.00016 -0.00003 0.00010 -0.00003 126 4XY 0.00023 -0.00089 -0.00001 0.00001 -0.00001 127 4XZ 0.00010 0.00034 0.00000 -0.00001 0.00000 128 4YZ 0.00022 -0.00121 -0.00001 0.00001 0.00001 129 13 C 1S -0.00170 0.00415 0.00028 0.00030 0.00054 130 2S -0.00017 -0.00879 0.00037 0.00014 0.00011 131 2PX -0.00019 0.04076 -0.00151 -0.00096 -0.00032 132 2PY 0.00155 -0.00289 -0.00056 0.00050 -0.00004 133 2PZ -0.00543 0.02474 0.00028 0.00042 0.00125 134 3S 0.01540 -0.01711 0.00005 0.00212 -0.00032 135 3PX 0.00010 0.01810 -0.00072 -0.00011 0.00015 136 3PY -0.00053 0.00200 -0.00032 -0.00023 -0.00021 137 3PZ 0.00135 0.02829 -0.00020 0.00056 0.00066 138 4XX -0.00019 0.00103 -0.00001 -0.00003 -0.00002 139 4YY -0.00018 0.00027 0.00004 0.00001 0.00004 140 4ZZ 0.00008 -0.00122 -0.00002 -0.00001 -0.00002 141 4XY -0.00008 0.00053 -0.00002 -0.00003 -0.00002 142 4XZ -0.00024 -0.00044 0.00004 -0.00002 0.00000 143 4YZ -0.00016 0.00041 0.00000 0.00003 0.00003 144 14 C 1S -0.00043 -0.00179 0.00012 -0.00004 0.00006 145 2S 0.00165 0.00550 -0.00046 -0.00012 -0.00030 146 2PX -0.00430 -0.00125 0.00085 0.00046 0.00084 147 2PY -0.00155 -0.00348 0.00033 0.00008 0.00017 148 2PZ -0.00115 0.01286 -0.00041 -0.00040 -0.00014 149 3S -0.00132 0.00836 -0.00027 -0.00055 -0.00018 150 3PX -0.00116 0.00089 0.00029 0.00032 0.00030 151 3PY -0.00003 -0.01119 0.00019 0.00016 0.00005 152 3PZ -0.00383 0.00978 0.00006 -0.00044 0.00011 153 4XX 0.00031 -0.00178 0.00002 0.00004 -0.00002 154 4YY -0.00006 0.00023 0.00002 0.00001 0.00001 155 4ZZ -0.00011 0.00125 -0.00001 0.00001 0.00003 156 4XY 0.00010 -0.00116 0.00001 -0.00002 -0.00003 157 4XZ 0.00007 -0.00097 0.00002 0.00001 -0.00001 158 4YZ 0.00013 -0.00198 0.00003 0.00004 0.00000 159 15 C 1S 0.00030 0.00001 -0.00006 0.00002 -0.00002 160 2S 0.00027 0.00001 0.00003 0.00000 -0.00003 161 2PX 0.00198 -0.02741 0.00046 0.00028 -0.00017 162 2PY 0.00171 -0.00203 -0.00016 0.00005 -0.00011 163 2PZ 0.00298 -0.03252 0.00044 0.00028 -0.00033 164 3S -0.00440 0.00519 0.00016 -0.00040 0.00009 165 3PX 0.00378 -0.02392 0.00037 0.00042 -0.00021 166 3PY 0.00194 -0.00468 -0.00010 0.00011 -0.00012 167 3PZ 0.00138 -0.02568 0.00035 0.00025 -0.00024 168 4XX -0.00024 0.00080 0.00000 0.00000 0.00002 169 4YY 0.00015 0.00013 -0.00002 0.00000 -0.00002 170 4ZZ 0.00018 -0.00061 0.00000 0.00000 -0.00001 171 4XY 0.00017 -0.00009 -0.00002 -0.00001 -0.00002 172 4XZ 0.00006 -0.00045 0.00001 0.00001 0.00000 173 4YZ 0.00022 -0.00106 0.00001 0.00001 -0.00001 174 16 C 1S 0.00031 -0.00465 0.00012 0.00006 0.00000 175 2S -0.00188 0.00982 -0.00011 -0.00033 0.00009 176 2PX 0.00620 -0.02597 -0.00001 0.00020 -0.00054 177 2PY 0.00431 -0.01102 -0.00039 0.00011 -0.00045 178 2PZ 0.00380 -0.01675 0.00009 -0.00013 -0.00035 179 3S 0.00022 0.02025 -0.00011 0.00005 0.00032 180 3PX 0.00745 -0.02846 0.00007 0.00045 -0.00047 181 3PY -0.00427 -0.00946 0.00006 -0.00046 -0.00004 182 3PZ 0.00203 -0.01842 0.00009 -0.00016 -0.00024 183 4XX -0.00003 -0.00240 0.00005 0.00001 -0.00001 184 4YY -0.00008 0.00020 -0.00002 -0.00001 0.00001 185 4ZZ -0.00029 0.00076 0.00000 -0.00004 0.00000 186 4XY -0.00002 0.00002 0.00001 0.00001 0.00002 187 4XZ 0.00000 -0.00182 0.00002 0.00001 -0.00002 188 4YZ 0.00021 -0.00048 -0.00001 0.00000 -0.00002 189 17 H 1S -0.00104 -0.00094 0.00062 -0.00004 0.00026 190 2S -0.01290 0.00871 0.00045 -0.00196 0.00014 191 18 H 1S -0.00014 -0.00223 0.00017 0.00027 0.00021 192 2S -0.00070 -0.00597 0.00029 0.00029 0.00027 193 19 H 1S 0.00012 0.00299 -0.00009 -0.00005 -0.00001 194 2S -0.00085 0.00553 -0.00015 -0.00013 0.00001 195 20 H 1S 0.00208 -0.00158 -0.00028 -0.00004 -0.00020 196 2S 0.00483 -0.00057 -0.00031 0.00019 -0.00033 197 21 C 1S 0.00090 -0.00212 -0.00014 -0.00013 -0.00022 198 2S -0.00164 0.00633 0.00024 0.00037 0.00047 199 2PX 0.00182 -0.00273 -0.00064 -0.00051 -0.00064 200 2PY -0.00067 0.00949 -0.00015 -0.00088 -0.00041 201 2PZ 0.00378 -0.00448 -0.00049 -0.00043 -0.00087 202 3S -0.00772 0.00549 0.00056 -0.00009 0.00056 203 3PX -0.00331 0.00083 -0.00027 -0.00072 -0.00021 204 3PY 0.00319 0.00659 -0.00019 -0.00003 -0.00033 205 3PZ 0.00087 0.01176 -0.00031 -0.00030 -0.00046 206 4XX 0.00000 0.00045 -0.00001 -0.00001 -0.00001 207 4YY -0.00023 0.00033 0.00002 -0.00001 0.00003 208 4ZZ 0.00008 -0.00039 -0.00002 -0.00002 -0.00004 209 4XY 0.00019 -0.00146 0.00003 0.00000 -0.00003 210 4XZ 0.00021 -0.00109 -0.00002 -0.00003 -0.00006 211 4YZ 0.00017 -0.00162 0.00002 0.00004 -0.00001 212 22 H 1S -0.00069 0.00159 0.00025 0.00029 0.00038 213 2S -0.00104 -0.00842 0.00005 -0.00001 0.00039 214 23 H 1S 0.00217 -0.00499 -0.00037 -0.00028 -0.00060 215 2S 0.00406 -0.01754 -0.00024 -0.00007 -0.00069 111 112 113 114 115 111 4XY 0.00185 112 4XZ 0.00015 0.00006 113 4YZ 0.00016 0.00019 0.00195 114 12 O 1S 0.00001 -0.00001 0.00002 2.07880 115 2S -0.00005 -0.00002 -0.00003 -0.18258 0.50275 116 2PX 0.00083 0.00031 0.00100 0.00357 -0.01037 117 2PY 0.00035 -0.00009 0.00031 -0.04157 0.08231 118 2PZ 0.00110 0.00042 0.00152 0.00242 -0.00714 119 3S -0.00008 0.00013 -0.00016 -0.24637 0.60155 120 3PX 0.00069 0.00025 0.00079 0.00268 -0.00714 121 3PY 0.00023 -0.00010 0.00022 -0.03430 0.06275 122 3PZ 0.00089 0.00034 0.00121 0.00175 -0.00445 123 4XX 0.00001 0.00000 0.00001 -0.01192 -0.01061 124 4YY -0.00001 -0.00001 -0.00001 -0.01047 -0.01115 125 4ZZ 0.00001 0.00000 -0.00001 -0.01282 -0.00868 126 4XY -0.00001 -0.00001 -0.00003 -0.00025 0.00042 127 4XZ 0.00001 0.00001 0.00001 -0.00138 0.00298 128 4YZ -0.00003 -0.00001 -0.00002 -0.00030 0.00059 129 13 C 1S 0.00037 -0.00004 0.00027 -0.00011 0.00048 130 2S -0.00084 0.00006 -0.00066 0.00021 -0.00094 131 2PX 0.00214 -0.00009 0.00154 -0.00057 0.00105 132 2PY 0.00084 -0.00030 0.00026 0.00070 -0.00114 133 2PZ 0.00074 0.00005 0.00063 -0.00022 0.00031 134 3S -0.00253 -0.00014 -0.00207 -0.00056 0.00135 135 3PX 0.00031 -0.00026 0.00007 -0.00044 0.00154 136 3PY 0.00138 0.00009 0.00019 -0.00039 0.00156 137 3PZ 0.00019 0.00002 0.00113 -0.00027 0.00028 138 4XX 0.00010 0.00000 0.00011 -0.00002 0.00003 139 4YY -0.00008 0.00001 -0.00004 -0.00008 0.00014 140 4ZZ -0.00006 -0.00002 -0.00003 0.00005 -0.00020 141 4XY 0.00005 0.00000 0.00003 0.00004 -0.00013 142 4XZ -0.00001 0.00000 0.00004 0.00004 -0.00013 143 4YZ 0.00005 -0.00001 0.00003 0.00003 -0.00004 144 14 C 1S -0.00018 -0.00001 -0.00006 -0.00015 0.00032 145 2S 0.00040 -0.00001 0.00015 -0.00007 0.00015 146 2PX -0.00034 -0.00005 0.00004 0.00008 0.00053 147 2PY -0.00051 0.00009 -0.00018 0.00050 -0.00098 148 2PZ 0.00073 -0.00016 0.00069 0.00015 -0.00003 149 3S 0.00055 0.00015 0.00133 0.00272 -0.00646 150 3PX -0.00003 -0.00010 -0.00023 -0.00102 0.00309 151 3PY -0.00044 -0.00002 -0.00048 0.00164 -0.00369 152 3PZ 0.00075 0.00000 0.00091 0.00114 -0.00254 153 4XX -0.00008 -0.00001 -0.00007 0.00000 0.00000 154 4YY 0.00000 0.00001 -0.00001 -0.00003 0.00004 155 4ZZ 0.00009 0.00000 0.00005 -0.00006 0.00015 156 4XY -0.00005 0.00000 -0.00004 0.00003 -0.00002 157 4XZ -0.00006 0.00000 -0.00004 -0.00001 0.00006 158 4YZ -0.00006 -0.00001 -0.00006 0.00002 -0.00007 159 15 C 1S 0.00011 -0.00001 0.00002 0.00025 -0.00036 160 2S -0.00010 0.00007 -0.00002 -0.00009 -0.00045 161 2PX -0.00077 -0.00013 -0.00080 0.00096 -0.00029 162 2PY 0.00024 -0.00009 0.00001 -0.00059 0.00085 163 2PZ -0.00076 -0.00005 -0.00096 -0.00014 -0.00063 164 3S -0.00011 -0.00006 -0.00019 -0.00406 0.00739 165 3PX -0.00070 -0.00001 -0.00055 0.00162 -0.00229 166 3PY 0.00002 0.00000 0.00006 0.00053 -0.00115 167 3PZ -0.00072 -0.00016 -0.00105 -0.00124 0.00256 168 4XX 0.00003 -0.00001 0.00001 0.00007 -0.00009 169 4YY 0.00001 0.00000 0.00001 0.00005 -0.00002 170 4ZZ 0.00001 0.00000 0.00000 0.00005 0.00002 171 4XY 0.00002 0.00000 0.00000 0.00000 0.00001 172 4XZ -0.00001 0.00000 -0.00002 0.00008 -0.00019 173 4YZ -0.00004 0.00001 -0.00004 -0.00004 0.00005 174 16 C 1S -0.00007 -0.00001 -0.00015 -0.00019 0.00108 175 2S 0.00032 0.00004 0.00028 0.00028 -0.00053 176 2PX -0.00042 0.00013 -0.00065 -0.00148 0.00084 177 2PY -0.00010 0.00001 -0.00028 0.00181 -0.00453 178 2PZ -0.00038 0.00013 -0.00029 0.00029 0.00116 179 3S -0.00029 0.00016 0.00102 0.00539 -0.00709 180 3PX -0.00053 0.00010 -0.00087 0.00134 -0.00499 181 3PY 0.00043 -0.00011 -0.00046 0.00306 -0.00752 182 3PZ -0.00035 0.00007 -0.00054 0.00104 -0.00132 183 4XX -0.00005 -0.00001 -0.00009 0.00007 -0.00037 184 4YY 0.00003 0.00000 0.00001 0.00003 -0.00018 185 4ZZ 0.00003 0.00000 0.00002 -0.00012 -0.00002 186 4XY -0.00001 0.00000 -0.00001 -0.00010 0.00039 187 4XZ -0.00005 -0.00001 -0.00007 0.00007 -0.00006 188 4YZ -0.00001 0.00000 -0.00002 0.00004 -0.00017 189 17 H 1S -0.00074 0.00024 -0.00044 -0.00043 0.00065 190 2S 0.00225 0.00057 0.00067 -0.00068 0.00134 191 18 H 1S 0.00000 0.00000 -0.00010 -0.00014 0.00025 192 2S 0.00001 0.00000 -0.00013 0.00042 -0.00126 193 19 H 1S 0.00014 -0.00005 0.00013 -0.00006 0.00077 194 2S 0.00028 -0.00010 0.00011 -0.00032 0.00153 195 20 H 1S 0.00006 0.00004 0.00003 0.00173 -0.00341 196 2S 0.00002 0.00012 0.00008 -0.00515 0.01047 197 21 C 1S 0.00001 0.00000 0.00000 0.00002 -0.00061 198 2S 0.00001 -0.00001 0.00002 -0.00031 0.00194 199 2PX 0.00030 -0.00008 0.00027 -0.00003 -0.00184 200 2PY 0.00008 0.00011 0.00049 -0.00051 0.00279 201 2PZ 0.00000 0.00003 -0.00006 -0.00004 -0.00176 202 3S 0.00060 -0.00011 -0.00006 0.00118 -0.00353 203 3PX 0.00080 -0.00001 0.00046 -0.00101 0.00106 204 3PY -0.00004 0.00006 0.00021 -0.00026 0.00048 205 3PZ 0.00027 0.00016 0.00051 -0.00068 0.00031 206 4XX 0.00003 0.00000 0.00003 -0.00006 0.00010 207 4YY -0.00001 0.00001 0.00001 -0.00001 0.00001 208 4ZZ -0.00003 -0.00001 -0.00001 -0.00003 0.00000 209 4XY -0.00006 0.00001 -0.00003 -0.00007 0.00022 210 4XZ -0.00004 0.00000 -0.00002 -0.00002 -0.00009 211 4YZ -0.00006 0.00000 -0.00005 0.00000 -0.00002 212 22 H 1S 0.00000 0.00003 -0.00014 -0.00019 0.00137 213 2S 0.00010 -0.00008 -0.00036 -0.00068 0.00266 214 23 H 1S -0.00008 -0.00005 -0.00007 -0.00005 -0.00116 215 2S -0.00071 -0.00013 -0.00062 0.00025 -0.00140 116 117 118 119 120 116 2PX 0.74000 117 2PY 0.00375 0.60252 118 2PZ -0.13055 -0.01037 0.64453 119 3S -0.00761 0.24765 -0.00316 0.77265 120 3PX 0.51018 0.01081 -0.10125 -0.00248 0.35396 121 3PY 0.00634 0.32613 -0.00603 0.15099 0.00876 122 3PZ -0.10109 -0.00261 0.43483 -0.00016 -0.07726 123 4XX 0.00380 0.00523 -0.00172 -0.01144 0.00259 124 4YY -0.00242 -0.04179 -0.00167 -0.02406 -0.00215 125 4ZZ -0.00166 0.00526 0.00343 -0.00899 -0.00112 126 4XY -0.03420 0.00195 0.00065 0.00086 -0.02286 127 4XZ 0.00253 0.00020 0.00305 0.00380 0.00166 128 4YZ 0.00080 0.00173 -0.03363 0.00070 0.00099 129 13 C 1S -0.00182 -0.00067 -0.00585 -0.00064 -0.00159 130 2S 0.00683 0.00327 0.01209 0.00183 0.00518 131 2PX -0.01243 -0.00712 -0.03065 0.00418 -0.00805 132 2PY 0.00553 0.00369 0.01292 -0.00617 0.00351 133 2PZ -0.00511 -0.00549 -0.02075 0.00327 -0.00402 134 3S 0.00139 -0.00251 0.02649 0.00031 0.00260 135 3PX -0.01369 -0.01065 -0.03503 0.00215 -0.00986 136 3PY -0.00280 -0.00890 0.01186 -0.00086 -0.00109 137 3PZ -0.00344 -0.00242 -0.02332 0.00244 -0.00225 138 4XX -0.00122 0.00002 -0.00285 -0.00035 -0.00099 139 4YY 0.00077 0.00020 0.00018 0.00024 0.00060 140 4ZZ 0.00024 0.00053 0.00081 0.00001 0.00010 141 4XY -0.00011 0.00006 0.00005 0.00004 -0.00012 142 4XZ -0.00114 0.00003 -0.00225 -0.00031 -0.00094 143 4YZ 0.00006 0.00023 0.00063 -0.00021 0.00002 144 14 C 1S 0.00116 -0.00010 -0.00008 0.00085 0.00117 145 2S -0.00085 -0.00069 0.00039 -0.00005 -0.00083 146 2PX -0.01550 -0.00393 -0.03223 -0.00350 -0.01302 147 2PY -0.00195 0.00079 0.00180 -0.00380 -0.00284 148 2PZ -0.02024 -0.00420 -0.03703 -0.00274 -0.01570 149 3S -0.00309 0.00746 0.00564 -0.00575 -0.00269 150 3PX -0.01281 -0.00731 -0.02765 -0.00105 -0.01024 151 3PY -0.00145 0.00256 0.00470 -0.00452 -0.00183 152 3PZ -0.01638 -0.00180 -0.03117 -0.00492 -0.01248 153 4XX 0.00056 0.00030 0.00093 -0.00015 0.00041 154 4YY 0.00014 -0.00014 0.00014 0.00027 0.00010 155 4ZZ 0.00021 -0.00026 -0.00070 0.00024 0.00016 156 4XY -0.00078 0.00017 0.00033 -0.00038 -0.00064 157 4XZ -0.00033 -0.00015 -0.00057 -0.00008 -0.00030 158 4YZ 0.00037 0.00038 0.00145 -0.00005 0.00017 159 15 C 1S -0.00187 -0.00039 -0.00268 -0.00178 -0.00156 160 2S 0.00492 -0.00046 0.00633 0.00483 0.00340 161 2PX -0.00924 0.00241 0.00320 -0.01348 -0.00965 162 2PY 0.00537 0.00010 0.00470 0.00582 0.00526 163 2PZ 0.00530 0.00460 0.01988 0.00436 0.00245 164 3S 0.00042 0.00451 0.01640 0.01264 -0.00118 165 3PX -0.00259 0.00003 0.00207 -0.00795 -0.00344 166 3PY 0.00309 0.00118 0.01472 0.00195 0.00211 167 3PZ 0.00503 0.00686 0.01746 0.00329 0.00139 168 4XX -0.00189 -0.00050 -0.00232 -0.00029 -0.00132 169 4YY 0.00010 -0.00011 0.00026 -0.00032 0.00002 170 4ZZ 0.00176 0.00014 0.00166 -0.00008 0.00126 171 4XY 0.00112 0.00010 0.00142 -0.00016 0.00082 172 4XZ -0.00069 -0.00021 -0.00126 -0.00036 -0.00053 173 4YZ 0.00130 0.00026 0.00232 0.00049 0.00102 174 16 C 1S 0.00677 0.00171 0.00658 -0.00118 0.00374 175 2S -0.01462 -0.00124 -0.01323 -0.00582 -0.00786 176 2PX 0.04253 0.00639 0.05132 0.01868 0.03154 177 2PY -0.01206 -0.00043 0.00223 -0.00657 -0.00786 178 2PZ 0.02660 0.00376 0.03228 -0.01053 0.01944 179 3S -0.04732 -0.02927 -0.02953 -0.01885 -0.02998 180 3PX 0.01494 0.00200 0.01997 0.00055 0.01243 181 3PY -0.03252 -0.00191 -0.00175 -0.01197 -0.02332 182 3PZ 0.00074 -0.00436 0.03813 -0.00682 0.00020 183 4XX 0.00005 0.00061 0.00192 0.00007 -0.00036 184 4YY -0.00034 -0.00012 0.00005 -0.00084 -0.00009 185 4ZZ -0.00065 0.00006 -0.00159 0.00030 -0.00040 186 4XY -0.00083 -0.00026 -0.00067 0.00003 -0.00057 187 4XZ -0.00132 0.00033 -0.00016 -0.00035 -0.00122 188 4YZ -0.00072 -0.00019 -0.00068 0.00015 -0.00044 189 17 H 1S 0.00110 -0.00167 -0.00176 0.00442 0.00117 190 2S 0.00233 -0.00616 -0.00085 0.00492 0.00239 191 18 H 1S 0.00399 0.00020 0.00348 0.00154 0.00306 192 2S 0.00499 0.00219 0.00602 0.00084 0.00367 193 19 H 1S -0.00068 -0.00058 -0.00226 -0.00236 -0.00065 194 2S 0.00140 -0.00029 -0.00657 -0.00320 0.00096 195 20 H 1S -0.00696 -0.00220 -0.00318 -0.00998 -0.00347 196 2S 0.06201 0.01962 0.01090 0.01586 0.04476 197 21 C 1S -0.00295 -0.00001 -0.00211 0.00226 -0.00208 198 2S 0.00604 -0.00029 0.00706 -0.00379 0.00483 199 2PX -0.00180 0.00218 -0.00294 0.00829 -0.00141 200 2PY 0.00145 -0.00247 -0.01135 -0.00618 0.00211 201 2PZ -0.00792 -0.00139 -0.00490 0.00942 -0.00602 202 3S 0.01872 0.01077 0.00590 -0.00825 0.01378 203 3PX 0.00821 0.00831 0.00270 0.00730 0.00468 204 3PY 0.00826 0.00497 -0.00781 -0.00281 0.00694 205 3PZ 0.00732 0.00016 0.01423 0.00687 0.00646 206 4XX 0.00027 0.00009 0.00071 0.00035 0.00015 207 4YY 0.00035 0.00020 0.00033 -0.00029 0.00033 208 4ZZ -0.00120 0.00009 -0.00055 0.00045 -0.00087 209 4XY 0.00145 0.00029 0.00176 0.00021 0.00110 210 4XZ -0.00167 -0.00002 -0.00129 0.00052 -0.00129 211 4YZ 0.00132 0.00023 0.00200 0.00029 0.00089 212 22 H 1S 0.00427 -0.00130 0.00196 -0.00325 0.00298 213 2S -0.00053 0.00086 -0.00966 0.00000 -0.00184 214 23 H 1S -0.00832 0.00010 -0.00604 0.00647 -0.00630 215 2S -0.02401 -0.00309 -0.02168 0.00422 -0.01824 121 122 123 124 125 121 3PY 0.17852 122 3PZ -0.00185 0.29554 123 4XX 0.00264 -0.00119 0.00052 124 4YY -0.02254 -0.00137 -0.00014 0.00322 125 4ZZ 0.00265 0.00233 0.00041 -0.00017 0.00042 126 4XY 0.00086 0.00090 -0.00017 0.00000 0.00009 127 4XZ 0.00017 0.00197 -0.00006 -0.00008 -0.00005 128 4YZ 0.00091 -0.02208 0.00009 0.00002 -0.00017 129 13 C 1S -0.00031 -0.00465 0.00012 0.00006 0.00000 130 2S 0.00188 0.00982 -0.00011 -0.00033 0.00009 131 2PX -0.00620 -0.02597 -0.00001 0.00020 -0.00054 132 2PY 0.00431 0.01102 0.00039 -0.00011 0.00045 133 2PZ -0.00380 -0.01675 0.00009 -0.00013 -0.00035 134 3S -0.00022 0.02026 -0.00011 0.00005 0.00032 135 3PX -0.00745 -0.02846 0.00007 0.00045 -0.00047 136 3PY -0.00427 0.00946 -0.00006 0.00046 0.00004 137 3PZ -0.00203 -0.01842 0.00009 -0.00016 -0.00024 138 4XX 0.00003 -0.00240 0.00005 0.00001 -0.00001 139 4YY 0.00008 0.00020 -0.00002 -0.00001 0.00001 140 4ZZ 0.00029 0.00076 0.00000 -0.00004 0.00000 141 4XY -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 142 4XZ 0.00000 -0.00182 0.00002 0.00001 -0.00002 143 4YZ 0.00021 0.00048 0.00001 0.00000 0.00002 144 14 C 1S -0.00030 0.00001 -0.00006 0.00002 -0.00002 145 2S -0.00027 0.00001 0.00003 0.00000 -0.00003 146 2PX -0.00198 -0.02741 0.00046 0.00028 -0.00017 147 2PY 0.00171 0.00203 0.00016 -0.00005 0.00011 148 2PZ -0.00298 -0.03252 0.00044 0.00028 -0.00033 149 3S 0.00440 0.00519 0.00016 -0.00040 0.00009 150 3PX -0.00378 -0.02392 0.00037 0.00042 -0.00021 151 3PY 0.00194 0.00468 0.00010 -0.00011 0.00012 152 3PZ -0.00138 -0.02568 0.00035 0.00025 -0.00024 153 4XX 0.00024 0.00080 0.00000 0.00000 0.00002 154 4YY -0.00015 0.00013 -0.00002 0.00000 -0.00002 155 4ZZ -0.00018 -0.00061 0.00000 0.00000 -0.00001 156 4XY 0.00017 0.00009 0.00002 0.00001 0.00002 157 4XZ -0.00006 -0.00045 0.00001 0.00001 0.00000 158 4YZ 0.00022 0.00106 -0.00001 -0.00001 0.00001 159 15 C 1S 0.00043 -0.00179 0.00012 -0.00004 0.00006 160 2S -0.00165 0.00550 -0.00046 -0.00012 -0.00030 161 2PX 0.00430 -0.00125 0.00085 0.00046 0.00084 162 2PY -0.00155 0.00348 -0.00033 -0.00008 -0.00017 163 2PZ 0.00115 0.01286 -0.00041 -0.00040 -0.00014 164 3S 0.00132 0.00836 -0.00027 -0.00055 -0.00018 165 3PX 0.00116 0.00089 0.00029 0.00032 0.00030 166 3PY -0.00003 0.01119 -0.00019 -0.00016 -0.00005 167 3PZ 0.00383 0.00978 0.00006 -0.00044 0.00011 168 4XX -0.00031 -0.00178 0.00002 0.00004 -0.00002 169 4YY 0.00006 0.00023 0.00002 0.00001 0.00001 170 4ZZ 0.00011 0.00125 -0.00001 0.00001 0.00003 171 4XY 0.00010 0.00116 -0.00001 0.00002 0.00003 172 4XZ -0.00007 -0.00097 0.00002 0.00001 -0.00001 173 4YZ 0.00013 0.00198 -0.00003 -0.00004 0.00000 174 16 C 1S 0.00170 0.00415 0.00028 0.00030 0.00054 175 2S 0.00017 -0.00879 0.00037 0.00014 0.00011 176 2PX 0.00019 0.04076 -0.00151 -0.00096 -0.00032 177 2PY 0.00155 0.00289 0.00056 -0.00050 0.00004 178 2PZ 0.00543 0.02474 0.00028 0.00042 0.00125 179 3S -0.01540 -0.01711 0.00005 0.00212 -0.00032 180 3PX -0.00010 0.01810 -0.00072 -0.00011 0.00015 181 3PY -0.00053 -0.00201 0.00032 0.00023 0.00021 182 3PZ -0.00135 0.02829 -0.00020 0.00056 0.00066 183 4XX 0.00019 0.00103 -0.00001 -0.00003 -0.00002 184 4YY 0.00018 0.00027 0.00004 0.00001 0.00004 185 4ZZ -0.00008 -0.00122 -0.00002 -0.00001 -0.00002 186 4XY -0.00008 -0.00053 0.00002 0.00003 0.00002 187 4XZ 0.00024 -0.00044 0.00004 -0.00002 0.00000 188 4YZ -0.00016 -0.00041 0.00000 -0.00003 -0.00003 189 17 H 1S -0.00208 -0.00158 -0.00028 -0.00004 -0.00020 190 2S -0.00483 -0.00057 -0.00031 0.00019 -0.00033 191 18 H 1S -0.00012 0.00299 -0.00009 -0.00005 -0.00001 192 2S 0.00085 0.00553 -0.00015 -0.00013 0.00001 193 19 H 1S 0.00014 -0.00223 0.00017 0.00027 0.00021 194 2S 0.00070 -0.00597 0.00029 0.00029 0.00027 195 20 H 1S 0.00104 -0.00094 0.00062 -0.00004 0.00026 196 2S 0.01290 0.00871 0.00045 -0.00196 0.00014 197 21 C 1S -0.00090 -0.00212 -0.00014 -0.00013 -0.00022 198 2S 0.00164 0.00633 0.00024 0.00037 0.00047 199 2PX -0.00182 -0.00273 -0.00064 -0.00051 -0.00064 200 2PY -0.00067 -0.00949 0.00015 0.00088 0.00041 201 2PZ -0.00378 -0.00448 -0.00049 -0.00043 -0.00087 202 3S 0.00772 0.00549 0.00056 -0.00009 0.00056 203 3PX 0.00331 0.00083 -0.00027 -0.00072 -0.00021 204 3PY 0.00319 -0.00659 0.00019 0.00003 0.00033 205 3PZ -0.00087 0.01176 -0.00031 -0.00030 -0.00046 206 4XX 0.00000 0.00045 -0.00001 -0.00001 -0.00001 207 4YY 0.00023 0.00033 0.00002 -0.00001 0.00003 208 4ZZ -0.00008 -0.00039 -0.00002 -0.00002 -0.00004 209 4XY 0.00019 0.00146 -0.00003 0.00000 0.00003 210 4XZ -0.00021 -0.00109 -0.00002 -0.00003 -0.00006 211 4YZ 0.00017 0.00162 -0.00002 -0.00004 0.00001 212 22 H 1S 0.00069 0.00159 0.00025 0.00029 0.00038 213 2S 0.00104 -0.00842 0.00005 -0.00001 0.00039 214 23 H 1S -0.00217 -0.00499 -0.00037 -0.00028 -0.00060 215 2S -0.00406 -0.01754 -0.00024 -0.00007 -0.00069 126 127 128 129 130 126 4XY 0.00185 127 4XZ -0.00015 0.00006 128 4YZ 0.00016 -0.00019 0.00195 129 13 C 1S 0.00007 -0.00001 0.00015 2.05588 130 2S -0.00032 0.00004 -0.00028 -0.06347 0.33136 131 2PX 0.00042 0.00013 0.00065 -0.00188 0.00585 132 2PY -0.00010 -0.00001 -0.00028 0.00383 0.00245 133 2PZ 0.00038 0.00013 0.00029 -0.00083 0.00299 134 3S 0.00029 0.00016 -0.00102 -0.20651 0.31272 135 3PX 0.00053 0.00010 0.00087 0.00614 -0.01452 136 3PY 0.00043 0.00011 -0.00046 -0.01021 -0.00361 137 3PZ 0.00035 0.00007 0.00054 0.00534 -0.00134 138 4XX 0.00005 -0.00001 0.00009 -0.01198 -0.01143 139 4YY -0.00003 0.00000 -0.00001 -0.01922 0.00304 140 4ZZ -0.00003 0.00000 -0.00002 -0.01278 -0.00997 141 4XY -0.00001 0.00000 -0.00001 -0.00142 0.00304 142 4XZ 0.00005 -0.00001 0.00007 0.00284 -0.00630 143 4YZ -0.00001 0.00000 -0.00002 0.00101 -0.00194 144 14 C 1S -0.00011 -0.00001 -0.00002 0.01661 -0.03093 145 2S 0.00010 0.00007 0.00002 -0.03337 0.05743 146 2PX 0.00077 -0.00013 0.00080 0.06376 -0.12764 147 2PY 0.00024 0.00009 0.00001 0.02727 -0.06242 148 2PZ 0.00076 -0.00005 0.00096 -0.03648 0.07600 149 3S 0.00011 -0.00006 0.00019 0.01473 0.00770 150 3PX 0.00070 -0.00001 0.00055 0.00613 -0.02920 151 3PY 0.00002 0.00000 0.00006 0.00667 -0.01128 152 3PZ 0.00072 -0.00016 0.00105 0.00610 0.00234 153 4XX -0.00003 -0.00001 -0.00001 -0.00286 0.00532 154 4YY -0.00001 0.00000 -0.00001 0.00245 -0.00591 155 4ZZ -0.00001 0.00000 0.00000 -0.00068 0.00089 156 4XY 0.00002 0.00000 0.00000 -0.00310 0.00586 157 4XZ 0.00001 0.00000 0.00002 0.00415 -0.00779 158 4YZ -0.00004 -0.00001 -0.00004 0.00245 -0.00443 159 15 C 1S 0.00018 -0.00001 0.00006 -0.00481 0.01206 160 2S -0.00040 -0.00001 -0.00015 0.01159 -0.02776 161 2PX 0.00034 -0.00005 -0.00004 -0.00660 0.01693 162 2PY -0.00051 -0.00009 -0.00018 -0.01019 0.03248 163 2PZ -0.00073 -0.00016 -0.00069 0.00881 -0.01684 164 3S -0.00055 0.00015 -0.00133 0.00543 -0.03023 165 3PX 0.00003 -0.00010 0.00023 0.00288 0.00142 166 3PY -0.00044 0.00002 -0.00048 -0.00290 0.01487 167 3PZ -0.00075 0.00000 -0.00091 -0.00091 -0.00175 168 4XX 0.00008 -0.00001 0.00007 0.00029 -0.00032 169 4YY 0.00000 0.00001 0.00001 -0.00146 0.00318 170 4ZZ -0.00009 0.00000 -0.00005 -0.00027 0.00094 171 4XY -0.00005 0.00000 -0.00004 -0.00212 0.00454 172 4XZ 0.00006 0.00000 0.00004 0.00020 -0.00064 173 4YZ -0.00006 0.00001 -0.00006 0.00113 -0.00238 174 16 C 1S -0.00037 -0.00004 -0.00027 -0.00485 0.00907 175 2S 0.00084 0.00006 0.00066 0.00907 -0.02458 176 2PX -0.00214 -0.00009 -0.00154 0.00095 0.00302 177 2PY 0.00084 0.00030 0.00026 -0.01325 0.03580 178 2PZ -0.00074 0.00005 -0.00063 -0.00701 0.01297 179 3S 0.00253 -0.00014 0.00207 0.02225 -0.03448 180 3PX -0.00031 -0.00026 -0.00007 -0.00221 0.00760 181 3PY 0.00138 -0.00009 0.00019 -0.01002 0.01433 182 3PZ -0.00019 0.00002 -0.00113 -0.00587 0.00786 183 4XX -0.00010 0.00000 -0.00012 0.00060 -0.00170 184 4YY 0.00008 0.00001 0.00004 -0.00299 0.00643 185 4ZZ 0.00006 -0.00002 0.00003 0.00080 -0.00256 186 4XY 0.00005 0.00000 0.00003 -0.00042 0.00108 187 4XZ 0.00001 0.00000 -0.00004 -0.00034 0.00056 188 4YZ 0.00005 0.00001 0.00003 0.00007 0.00038 189 17 H 1S -0.00006 0.00004 -0.00003 -0.06339 0.11899 190 2S -0.00002 0.00012 -0.00008 -0.01474 0.02691 191 18 H 1S -0.00014 -0.00005 -0.00013 0.01289 -0.02687 192 2S -0.00028 -0.00010 -0.00011 0.01717 -0.02960 193 19 H 1S 0.00000 0.00000 0.00010 -0.00892 0.02090 194 2S -0.00001 0.00000 0.00013 -0.01359 0.02920 195 20 H 1S 0.00074 0.00024 0.00044 -0.00895 0.02085 196 2S -0.00225 0.00057 -0.00067 -0.01155 0.02975 197 21 C 1S -0.00001 0.00000 0.00000 0.01239 -0.02252 198 2S -0.00001 -0.00001 -0.00002 -0.02352 0.04064 199 2PX -0.00030 -0.00008 -0.00027 -0.01370 0.02561 200 2PY 0.00008 -0.00011 0.00049 0.05293 -0.11431 201 2PZ 0.00000 0.00003 0.00006 0.04216 -0.08692 202 3S -0.00060 -0.00011 0.00006 0.00484 0.01016 203 3PX -0.00080 -0.00001 -0.00046 -0.00078 0.00570 204 3PY -0.00004 -0.00006 0.00021 0.00832 -0.02930 205 3PZ -0.00027 0.00016 -0.00051 0.00745 -0.02434 206 4XX -0.00003 0.00000 -0.00003 0.00201 -0.00424 207 4YY 0.00001 0.00001 -0.00001 -0.00355 0.00604 208 4ZZ 0.00003 -0.00001 0.00001 -0.00031 -0.00008 209 4XY -0.00006 -0.00001 -0.00003 0.00221 -0.00436 210 4XZ 0.00004 0.00000 0.00002 0.00203 -0.00388 211 4YZ -0.00006 0.00000 -0.00005 -0.00495 0.01002 212 22 H 1S 0.00000 0.00003 0.00014 0.00787 -0.01726 213 2S -0.00010 -0.00008 0.00036 0.01093 -0.01961 214 23 H 1S 0.00008 -0.00005 0.00007 0.00924 -0.02396 215 2S 0.00071 -0.00013 0.00062 0.01403 -0.03102 131 132 133 134 135 131 2PX 0.36493 132 2PY 0.01259 0.42724 133 2PZ -0.05574 -0.00474 0.35262 134 3S -0.02760 -0.02673 -0.02525 0.34826 135 3PX 0.19121 -0.01420 0.03487 -0.02863 0.12345 136 3PY 0.00868 0.13562 -0.00838 0.00099 0.00060 137 3PZ 0.02110 -0.00760 0.16583 -0.01743 0.04274 138 4XX 0.01109 0.00331 -0.00456 -0.01294 0.00519 139 4YY -0.00899 -0.01392 0.00980 0.00628 -0.00208 140 4ZZ -0.00512 0.00565 -0.00433 -0.00800 -0.00349 141 4XY 0.00718 -0.00491 -0.00270 0.00332 0.00275 142 4XZ -0.00562 -0.00313 0.00386 -0.00569 -0.00165 143 4YZ -0.00287 0.01289 0.00898 -0.00441 -0.00057 144 14 C 1S -0.06078 -0.02178 0.04384 -0.00856 -0.01218 145 2S 0.12959 0.03983 -0.09115 0.03679 0.03680 146 2PX -0.08145 -0.07812 0.23182 -0.16445 0.00115 147 2PY -0.11176 -0.01340 0.07213 -0.01462 -0.04881 148 2PZ 0.25156 0.03700 0.00976 0.03328 0.13173 149 3S 0.05527 0.07070 -0.06900 -0.03004 -0.00989 150 3PX 0.03262 -0.03497 0.10232 -0.04555 0.04186 151 3PY -0.07570 0.02112 0.03896 0.00302 -0.03888 152 3PZ 0.10301 0.00814 0.04228 -0.03367 0.05937 153 4XX -0.00576 0.00508 -0.00738 0.00594 -0.00453 154 4YY -0.00620 -0.01054 0.00518 -0.00498 -0.00198 155 4ZZ 0.00259 0.00208 0.00936 -0.00067 0.00330 156 4XY 0.00403 -0.00533 -0.00570 0.00785 0.00115 157 4XZ -0.00543 -0.00702 -0.00061 -0.00508 -0.00191 158 4YZ -0.00626 0.00480 0.00117 -0.00803 -0.00470 159 15 C 1S 0.00706 0.01466 -0.00217 0.01071 0.00449 160 2S -0.02539 -0.03290 0.00853 -0.03497 -0.01699 161 2PX -0.00238 0.01893 0.00602 0.04385 -0.00150 162 2PY 0.03181 0.02053 -0.02544 -0.00130 0.01818 163 2PZ -0.01121 -0.01383 -0.00561 -0.09318 -0.03877 164 3S 0.05690 -0.11051 -0.00834 -0.02762 0.03815 165 3PX -0.05259 0.01439 0.00605 0.00073 -0.03561 166 3PY -0.00910 0.03735 -0.01099 -0.00414 -0.01171 167 3PZ 0.02061 -0.00538 -0.02113 -0.03717 -0.00684 168 4XX 0.00222 -0.00025 0.00216 -0.00086 0.00327 169 4YY 0.00361 0.00440 -0.00305 0.00462 0.00050 170 4ZZ -0.00230 0.00072 -0.00105 0.00077 -0.00186 171 4XY 0.00154 0.00488 -0.00886 0.00771 -0.00016 172 4XZ -0.00035 -0.00074 0.00032 0.00031 -0.00013 173 4YZ -0.01048 -0.00275 -0.00218 -0.00203 -0.00694 174 16 C 1S 0.00095 0.01325 -0.00701 0.02225 -0.00221 175 2S 0.00302 -0.03580 0.01296 -0.03448 0.00760 176 2PX -0.07821 0.00337 -0.05018 -0.05579 -0.09069 177 2PY -0.00337 0.03928 0.00104 0.05706 -0.02306 178 2PZ -0.05018 -0.00104 -0.07580 0.05607 -0.05081 179 3S -0.05579 -0.05706 0.05607 -0.03039 -0.01283 180 3PX -0.09069 0.02306 -0.05081 -0.01282 -0.08253 181 3PY 0.03457 0.01047 0.00167 0.01145 0.01229 182 3PZ -0.04061 -0.01625 -0.05625 0.02699 -0.04128 183 4XX 0.00064 -0.00310 -0.00113 -0.00491 -0.00034 184 4YY -0.00321 0.01255 0.00349 0.00857 -0.00228 185 4ZZ 0.00277 -0.00549 -0.00251 -0.00106 0.00255 186 4XY -0.00037 0.00100 -0.00120 0.00206 0.00104 187 4XZ 0.00009 0.00165 0.00117 0.00103 0.00030 188 4YZ -0.00110 0.00053 -0.00121 0.00086 -0.00153 189 17 H 1S -0.04898 -0.25521 0.05993 0.13648 -0.00946 190 2S -0.01754 -0.20899 0.05506 0.04306 0.01126 191 18 H 1S -0.03861 0.00372 0.02926 -0.05788 -0.02140 192 2S -0.07837 0.01894 0.05448 -0.05989 -0.03823 193 19 H 1S 0.02527 0.01547 -0.01355 0.04296 0.02338 194 2S 0.05793 0.02838 -0.02455 0.04959 0.03988 195 20 H 1S -0.01221 0.02911 0.00808 0.04281 -0.01646 196 2S -0.03652 0.05780 -0.00213 0.05261 -0.03535 197 21 C 1S 0.02049 -0.04745 -0.03706 -0.00121 0.00107 198 2S -0.04682 0.09464 0.07546 0.02020 -0.00793 199 2PX 0.00589 0.04869 0.06089 0.02819 0.00323 200 2PY 0.08426 -0.17875 -0.17360 -0.07463 0.04034 201 2PZ 0.07960 -0.13634 -0.08152 -0.09527 0.02687 202 3S -0.02402 0.11341 0.07383 -0.02468 0.00393 203 3PX 0.01762 0.02014 0.03020 -0.00055 0.00695 204 3PY 0.04888 -0.08053 -0.09345 -0.00571 0.02095 205 3PZ 0.02088 -0.05972 -0.04275 -0.01528 0.00289 206 4XX 0.00658 -0.00374 -0.00424 -0.00672 0.00246 207 4YY -0.00459 -0.00468 0.00594 0.00846 -0.00170 208 4ZZ 0.00112 0.00241 -0.00544 -0.00006 -0.00013 209 4XY -0.00845 -0.00456 -0.00719 -0.00361 -0.00634 210 4XZ -0.00382 -0.00486 0.00064 -0.00170 -0.00124 211 4YZ -0.00632 0.00988 0.00069 0.00934 -0.00529 212 22 H 1S 0.01653 -0.01558 -0.02926 -0.03687 0.00848 213 2S 0.04844 -0.02670 -0.03364 -0.04455 0.01891 214 23 H 1S 0.01836 -0.01690 -0.00363 -0.03165 0.00839 215 2S 0.01334 -0.03576 -0.02834 -0.03246 0.00469 136 137 138 139 140 136 3PY 0.05500 137 3PZ -0.00415 0.08841 138 4XX -0.00008 -0.00041 0.00154 139 4YY -0.00352 0.00334 -0.00081 0.00174 140 4ZZ 0.00209 -0.00282 0.00022 -0.00043 0.00111 141 4XY -0.00110 -0.00016 0.00001 0.00010 -0.00025 142 4XZ -0.00176 0.00100 0.00009 0.00020 0.00008 143 4YZ 0.00286 0.00322 0.00006 -0.00029 0.00027 144 14 C 1S -0.00926 0.00654 -0.00330 0.00285 -0.00003 145 2S 0.02391 -0.01741 0.00590 -0.00619 -0.00054 146 2PX -0.04968 0.10591 0.00717 0.00444 -0.00132 147 2PY 0.02217 0.02986 -0.00463 0.00939 -0.00022 148 2PZ -0.00429 0.03363 0.01059 -0.00538 -0.01107 149 3S 0.01881 -0.01507 0.00778 -0.01008 0.00325 150 3PX -0.01923 0.05577 0.00510 0.00163 -0.00357 151 3PY 0.01219 0.01165 -0.00277 0.00248 0.00104 152 3PZ -0.01419 0.03289 0.00766 -0.00298 -0.00530 153 4XX 0.00107 -0.00487 -0.00029 -0.00024 0.00017 154 4YY -0.00297 0.00213 -0.00018 0.00074 -0.00004 155 4ZZ -0.00017 0.00447 -0.00004 0.00006 -0.00016 156 4XY -0.00216 -0.00268 0.00013 -0.00006 -0.00039 157 4XZ -0.00177 -0.00090 -0.00005 0.00028 0.00018 158 4YZ -0.00037 -0.00044 0.00038 -0.00020 0.00017 159 15 C 1S 0.00304 -0.00116 0.00006 -0.00137 0.00033 160 2S -0.01205 0.00372 -0.00024 0.00342 -0.00019 161 2PX -0.00833 -0.00614 0.00646 -0.00372 -0.00349 162 2PY -0.02630 -0.02220 0.00128 -0.00662 0.00092 163 2PZ -0.04483 -0.00822 0.00796 -0.00094 -0.00422 164 3S -0.03542 0.00418 0.00250 0.00368 -0.00294 165 3PX -0.01019 -0.00835 0.00306 -0.00113 -0.00131 166 3PY -0.00165 -0.01052 0.00066 -0.00399 0.00157 167 3PZ -0.02569 -0.01163 0.00663 -0.00248 -0.00314 168 4XX 0.00008 0.00124 -0.00010 0.00008 -0.00003 169 4YY 0.00262 -0.00033 0.00017 -0.00041 0.00007 170 4ZZ -0.00089 -0.00169 -0.00009 0.00003 -0.00005 171 4XY 0.00284 -0.00481 -0.00036 -0.00004 0.00000 172 4XZ 0.00053 0.00076 0.00011 -0.00023 0.00018 173 4YZ -0.00063 -0.00190 -0.00037 0.00012 0.00047 174 16 C 1S 0.01002 -0.00587 0.00060 -0.00299 0.00080 175 2S -0.01433 0.00786 -0.00170 0.00643 -0.00256 176 2PX -0.03457 -0.04061 0.00064 -0.00321 0.00277 177 2PY 0.01047 0.01625 0.00310 -0.01255 0.00549 178 2PZ -0.00167 -0.05625 -0.00113 0.00349 -0.00251 179 3S -0.01145 0.02699 -0.00491 0.00857 -0.00106 180 3PX -0.01229 -0.04128 -0.00034 -0.00228 0.00255 181 3PY -0.00374 0.00866 0.00320 -0.00519 0.00078 182 3PZ -0.00866 -0.03855 -0.00068 0.00160 -0.00101 183 4XX -0.00320 -0.00068 0.00069 -0.00038 -0.00012 184 4YY 0.00519 0.00160 -0.00038 -0.00010 0.00001 185 4ZZ -0.00078 -0.00101 -0.00012 0.00001 0.00033 186 4XY 0.00058 -0.00110 -0.00002 -0.00001 -0.00006 187 4XZ 0.00020 0.00052 0.00019 -0.00022 0.00001 188 4YZ 0.00086 0.00060 0.00005 -0.00033 0.00016 189 17 H 1S -0.07951 0.02550 -0.00857 0.01352 -0.00743 190 2S -0.05456 0.02621 -0.00561 0.01161 -0.00495 191 18 H 1S -0.00933 0.01195 0.00248 -0.00235 0.00349 192 2S -0.00846 0.01559 0.00025 -0.00069 0.00325 193 19 H 1S 0.00293 -0.01060 -0.00009 -0.00184 -0.00045 194 2S 0.00922 -0.01230 0.00043 -0.00218 -0.00148 195 20 H 1S 0.01299 0.01188 -0.00009 -0.00369 0.00170 196 2S 0.02475 0.00168 -0.00140 -0.00398 0.00255 197 21 C 1S -0.01027 -0.00275 0.00197 -0.00265 -0.00113 198 2S 0.02774 0.01298 -0.00497 0.00463 0.00172 199 2PX 0.01176 0.01871 -0.00769 0.00327 0.00244 200 2PY -0.04571 -0.08014 0.00363 0.00682 -0.00305 201 2PZ -0.04875 -0.02725 0.00562 -0.00833 0.01001 202 3S 0.02365 0.01055 -0.00145 0.00116 0.00223 203 3PX 0.00044 0.01148 -0.00249 0.00081 0.00101 204 3PY -0.01963 -0.04240 0.00141 0.00284 -0.00211 205 3PZ -0.01042 -0.01664 -0.00079 -0.00182 0.00499 206 4XX -0.00200 -0.00108 0.00070 -0.00051 0.00016 207 4YY -0.00116 0.00276 -0.00050 0.00060 -0.00049 208 4ZZ 0.00112 -0.00269 -0.00015 -0.00019 0.00036 209 4XY -0.00210 -0.00496 -0.00008 0.00025 0.00016 210 4XZ -0.00136 -0.00037 -0.00026 -0.00007 0.00065 211 4YZ 0.00247 -0.00051 -0.00027 -0.00048 0.00015 212 22 H 1S -0.00796 -0.01133 0.00497 -0.00263 0.00063 213 2S -0.01766 -0.00531 0.00637 -0.00351 -0.00087 214 23 H 1S -0.00939 -0.00847 -0.00180 -0.00181 0.00740 215 2S -0.01610 -0.01497 0.00055 -0.00312 0.00601 141 142 143 144 145 141 4XY 0.00062 142 4XZ -0.00005 0.00068 143 4YZ -0.00046 0.00010 0.00095 144 14 C 1S -0.00282 0.00455 0.00200 2.05350 145 2S 0.00566 -0.00869 -0.00420 -0.06403 0.33137 146 2PX -0.00467 0.00687 0.00690 -0.00214 -0.00416 147 2PY 0.00687 0.00404 -0.00524 0.00016 0.00369 148 2PZ 0.00707 0.00017 -0.00128 -0.00062 0.00592 149 3S 0.00258 -0.00620 -0.00069 -0.16656 0.25600 150 3PX -0.00020 0.00256 0.00192 -0.00541 0.02252 151 3PY 0.00116 0.00177 -0.00013 0.00323 -0.01831 152 3PZ 0.00205 0.00192 0.00094 0.00294 -0.01327 153 4XX -0.00034 -0.00002 0.00014 -0.01548 -0.00686 154 4YY 0.00016 0.00023 -0.00032 -0.01744 -0.00235 155 4ZZ -0.00024 0.00013 0.00049 -0.01464 -0.00826 156 4XY 0.00034 0.00012 -0.00033 0.00183 -0.00345 157 4XZ 0.00006 0.00044 -0.00027 0.00454 -0.00957 158 4YZ -0.00026 0.00012 0.00039 -0.00208 0.00382 159 15 C 1S -0.00168 -0.00002 0.00158 0.01690 -0.03343 160 2S 0.00324 -0.00005 -0.00346 -0.03343 0.05785 161 2PX 0.00009 0.00359 0.00332 -0.00499 0.01193 162 2PY -0.00814 0.00046 0.00660 0.07810 -0.16130 163 2PZ 0.00180 0.00303 0.00060 -0.00017 -0.00810 164 3S 0.00464 0.00054 -0.00576 -0.00183 0.03542 165 3PX -0.00054 0.00290 0.00202 -0.00117 -0.00667 166 3PY -0.00302 -0.00038 0.00296 0.01159 -0.04016 167 3PZ 0.00117 0.00182 0.00036 -0.00185 0.00501 168 4XX -0.00033 0.00007 0.00013 0.00281 -0.00636 169 4YY 0.00031 -0.00034 -0.00016 -0.00697 0.01254 170 4ZZ -0.00021 0.00013 0.00031 0.00264 -0.00615 171 4XY 0.00008 -0.00020 -0.00013 0.00023 0.00003 172 4XZ 0.00010 0.00001 -0.00012 -0.00085 0.00218 173 4YZ -0.00016 -0.00007 -0.00009 -0.00014 0.00014 174 16 C 1S 0.00042 -0.00034 -0.00007 -0.00481 0.01159 175 2S -0.00108 0.00056 -0.00038 0.01206 -0.02776 176 2PX 0.00037 0.00009 0.00110 0.00706 -0.02539 177 2PY 0.00100 -0.00165 0.00053 -0.01466 0.03290 178 2PZ 0.00120 0.00117 0.00121 -0.00217 0.00853 179 3S -0.00206 0.00103 -0.00086 0.01071 -0.03497 180 3PX -0.00104 0.00030 0.00154 0.00449 -0.01699 181 3PY 0.00058 -0.00020 0.00086 -0.00304 0.01205 182 3PZ 0.00110 0.00052 -0.00060 -0.00116 0.00372 183 4XX 0.00002 0.00019 -0.00005 0.00006 -0.00024 184 4YY 0.00001 -0.00022 0.00033 -0.00137 0.00342 185 4ZZ 0.00006 0.00001 -0.00016 0.00033 -0.00019 186 4XY -0.00038 -0.00007 0.00017 0.00168 -0.00324 187 4XZ 0.00007 0.00031 0.00011 -0.00002 -0.00005 188 4YZ 0.00017 -0.00011 -0.00036 -0.00158 0.00346 189 17 H 1S 0.00359 0.00054 -0.00746 0.01219 -0.02477 190 2S 0.00315 0.00096 -0.00642 0.01116 -0.01992 191 18 H 1S -0.00496 -0.00238 0.00423 -0.06256 0.11660 192 2S -0.00590 -0.00011 0.00553 -0.01360 0.02417 193 19 H 1S -0.00181 0.00009 0.00180 0.01288 -0.02651 194 2S -0.00159 -0.00035 0.00196 0.01472 -0.02540 195 20 H 1S 0.00058 -0.00092 0.00042 -0.00894 0.02001 196 2S 0.00069 -0.00156 0.00061 -0.01189 0.02558 197 21 C 1S 0.00236 0.00125 -0.00514 -0.00478 0.00984 198 2S -0.00467 -0.00242 0.00961 0.01044 -0.02368 199 2PX 0.00428 0.00654 0.00465 0.01014 -0.02595 200 2PY 0.00320 0.00182 -0.00847 -0.00122 0.00984 201 2PZ 0.00474 0.00062 -0.00352 -0.01389 0.03186 202 3S -0.00649 -0.00161 0.01206 0.02050 -0.04110 203 3PX 0.00250 0.00317 0.00239 0.00620 -0.01160 204 3PY 0.00205 0.00034 -0.00439 -0.00288 0.01050 205 3PZ 0.00260 -0.00109 -0.00266 -0.01041 0.02207 206 4XX 0.00010 -0.00025 -0.00014 -0.00145 0.00325 207 4YY 0.00005 0.00009 -0.00016 0.00095 -0.00197 208 4ZZ 0.00011 0.00009 -0.00008 -0.00023 0.00060 209 4XY -0.00008 0.00017 -0.00015 0.00115 -0.00249 210 4XZ 0.00010 0.00052 0.00009 0.00133 -0.00299 211 4YZ -0.00008 -0.00019 0.00029 -0.00069 0.00116 212 22 H 1S -0.00275 -0.00505 0.00003 -0.00834 0.01995 213 2S -0.00026 -0.00360 -0.00169 -0.01086 0.02642 214 23 H 1S 0.00218 0.00249 0.00300 0.00105 -0.00345 215 2S 0.00230 0.00373 0.00017 0.00012 -0.00154 146 147 148 149 150 146 2PX 0.37396 147 2PY -0.00817 0.41906 148 2PZ -0.04446 0.00045 0.37852 149 3S 0.04393 -0.01077 -0.02271 0.26432 150 3PX 0.15182 -0.00258 0.05816 0.01634 0.08668 151 3PY 0.00384 0.13604 -0.02126 -0.00276 -0.00755 152 3PZ 0.05147 -0.01065 0.18504 -0.00397 0.05484 153 4XX -0.00773 -0.00925 -0.00378 -0.00371 -0.00468 154 4YY 0.00622 0.01282 -0.00470 -0.00155 0.00134 155 4ZZ 0.00499 -0.00785 0.00346 -0.00579 0.00263 156 4XY -0.00612 0.00265 0.01195 -0.00471 -0.00015 157 4XZ -0.00063 0.01006 -0.00095 -0.00750 -0.00107 158 4YZ 0.01126 -0.00419 -0.00439 0.00806 0.00265 159 15 C 1S -0.00499 -0.07810 -0.00017 -0.00183 -0.00117 160 2S 0.01193 0.16130 -0.00810 0.03542 -0.00667 161 2PX 0.10558 0.01751 0.09829 0.00459 0.07477 162 2PY -0.01751 -0.31806 0.01666 -0.11755 -0.02476 163 2PZ 0.09829 -0.01666 0.13422 0.06612 0.03432 164 3S 0.00458 0.11755 0.06612 -0.01445 0.01608 165 3PX 0.07477 0.02476 0.03432 0.01608 0.03317 166 3PY -0.00660 -0.09531 -0.00410 -0.00991 -0.01626 167 3PZ 0.05778 -0.02657 0.10938 0.03627 0.03298 168 4XX -0.00053 -0.00996 -0.00098 -0.00698 0.00024 169 4YY -0.00248 0.00645 0.00115 0.01057 0.00034 170 4ZZ 0.00111 -0.00860 -0.00050 -0.00447 -0.00033 171 4XY -0.01308 0.00141 -0.00028 -0.00465 -0.00492 172 4XZ 0.00024 0.00341 -0.00030 0.00359 0.00062 173 4YZ 0.00005 0.00030 -0.01363 0.00429 -0.00376 174 16 C 1S -0.00660 0.01019 0.00882 0.00543 0.00288 175 2S 0.01693 -0.03248 -0.01684 -0.03023 0.00142 176 2PX -0.00238 -0.03181 -0.01121 0.05690 -0.05259 177 2PY -0.01893 0.02053 0.01383 0.11051 -0.01439 178 2PZ 0.00602 0.02544 -0.00561 -0.00834 0.00605 179 3S 0.04385 0.00131 -0.09318 -0.02762 0.00073 180 3PX -0.00150 -0.01818 -0.03877 0.03815 -0.03561 181 3PY 0.00833 -0.02630 0.04483 0.03542 0.01019 182 3PZ -0.00614 0.02220 -0.00821 0.00418 -0.00835 183 4XX 0.00646 -0.00128 0.00796 0.00250 0.00306 184 4YY -0.00372 0.00662 -0.00094 0.00368 -0.00113 185 4ZZ -0.00349 -0.00092 -0.00422 -0.00294 -0.00131 186 4XY -0.00009 -0.00814 -0.00180 -0.00464 0.00054 187 4XZ 0.00359 -0.00046 0.00303 0.00054 0.00290 188 4YZ -0.00332 0.00660 -0.00060 0.00576 -0.00202 189 17 H 1S 0.02916 0.03156 -0.01805 -0.06205 0.01870 190 2S 0.03480 0.05770 -0.02617 -0.05687 0.01982 191 18 H 1S 0.15490 -0.15405 -0.15067 0.12988 0.04110 192 2S 0.13610 -0.13143 -0.13517 0.05903 0.02579 193 19 H 1S -0.01715 -0.04449 0.01074 -0.06040 0.00143 194 2S -0.03286 -0.08019 0.03468 -0.06446 0.00416 195 20 H 1S -0.01118 0.03152 -0.00509 0.05362 -0.00669 196 2S -0.03472 0.05913 -0.02090 0.05628 -0.02228 197 21 C 1S -0.00634 0.00742 0.01093 0.01703 -0.00336 198 2S 0.01066 -0.01219 -0.03541 -0.03537 0.00177 199 2PX 0.00051 -0.00410 -0.03392 -0.05022 -0.00371 200 2PY -0.03563 -0.02201 0.00423 -0.06258 0.00214 201 2PZ -0.03726 0.01763 0.00608 0.06851 -0.02546 202 3S 0.04923 -0.08734 -0.01933 -0.03875 0.01728 203 3PX 0.00654 -0.00655 0.00112 -0.01814 0.00141 204 3PY -0.03783 -0.01118 0.01734 -0.03174 -0.00266 205 3PZ -0.05816 0.03821 -0.03226 0.02661 -0.03344 206 4XX -0.00042 0.00008 0.00680 0.00549 0.00018 207 4YY 0.00359 0.00075 -0.00255 -0.00310 0.00163 208 4ZZ -0.00690 -0.00106 -0.00257 -0.00030 -0.00333 209 4XY 0.00036 0.00076 -0.00700 -0.00052 -0.00243 210 4XZ 0.00194 0.00077 -0.00832 -0.00216 -0.00027 211 4YZ -0.00407 0.00063 -0.00039 0.00435 -0.00280 212 22 H 1S -0.00743 -0.00452 0.03274 0.03828 -0.00170 213 2S -0.00307 -0.00239 0.07087 0.04612 0.00372 214 23 H 1S -0.02090 0.00265 -0.03262 0.00174 -0.01675 215 2S -0.00979 0.00281 -0.01650 0.00803 -0.00721 151 152 153 154 155 151 3PY 0.05455 152 3PZ -0.01118 0.11049 153 4XX -0.00171 -0.00276 0.00095 154 4YY 0.00352 -0.00105 -0.00035 0.00112 155 4ZZ -0.00197 0.00273 0.00025 -0.00011 0.00080 156 4XY 0.00028 0.00461 0.00010 -0.00011 -0.00007 157 4XZ 0.00322 -0.00012 -0.00008 0.00045 -0.00015 158 4YZ -0.00019 0.00079 0.00002 -0.00001 -0.00003 159 15 C 1S -0.01159 -0.00185 0.00281 -0.00697 0.00264 160 2S 0.04016 0.00501 -0.00636 0.01254 -0.00615 161 2PX 0.00660 0.05778 -0.00053 -0.00248 0.00111 162 2PY -0.09531 0.02657 0.00996 -0.00645 0.00860 163 2PZ 0.00410 0.10938 -0.00098 0.00115 -0.00050 164 3S 0.00991 0.03627 -0.00698 0.01057 -0.00447 165 3PX 0.01626 0.03298 0.00024 0.00034 -0.00033 166 3PY -0.02209 0.00699 0.00360 -0.00204 0.00209 167 3PZ -0.00699 0.07588 -0.00025 -0.00107 -0.00002 168 4XX -0.00360 -0.00025 0.00029 -0.00024 0.00039 169 4YY 0.00204 -0.00107 -0.00024 -0.00017 -0.00033 170 4ZZ -0.00209 -0.00002 0.00039 -0.00033 0.00032 171 4XY -0.00033 -0.00341 0.00032 -0.00016 -0.00018 172 4XZ 0.00161 -0.00039 -0.00007 -0.00021 -0.00008 173 4YZ 0.00169 -0.00641 0.00018 0.00011 -0.00023 174 16 C 1S 0.00290 -0.00091 0.00029 -0.00146 -0.00027 175 2S -0.01487 -0.00175 -0.00032 0.00318 0.00094 176 2PX 0.00910 0.02061 0.00222 0.00361 -0.00230 177 2PY 0.03735 0.00538 0.00025 -0.00440 -0.00072 178 2PZ 0.01099 -0.02113 0.00216 -0.00305 -0.00105 179 3S 0.00414 -0.03717 -0.00086 0.00462 0.00077 180 3PX 0.01171 -0.00684 0.00327 0.00050 -0.00186 181 3PY -0.00165 0.02569 -0.00008 -0.00262 0.00089 182 3PZ 0.01052 -0.01163 0.00124 -0.00033 -0.00169 183 4XX -0.00066 0.00663 -0.00010 0.00017 -0.00009 184 4YY 0.00399 -0.00248 0.00008 -0.00041 0.00003 185 4ZZ -0.00157 -0.00314 -0.00003 0.00007 -0.00005 186 4XY -0.00302 -0.00117 0.00033 -0.00031 0.00021 187 4XZ 0.00038 0.00182 0.00007 -0.00034 0.00013 188 4YZ 0.00296 -0.00036 -0.00013 0.00016 -0.00031 189 17 H 1S 0.00220 -0.01316 -0.00207 0.00615 -0.00030 190 2S 0.00505 -0.01485 -0.00404 0.00678 -0.00054 191 18 H 1S -0.04419 -0.04701 -0.00006 -0.00144 0.00090 192 2S -0.02900 -0.03689 0.00166 -0.00090 0.00251 193 19 H 1S -0.02306 -0.00140 0.00153 0.00058 0.00144 194 2S -0.03583 0.00459 0.00254 -0.00296 0.00274 195 20 H 1S 0.02769 -0.00887 -0.00010 -0.00202 -0.00038 196 2S 0.03802 -0.02185 0.00044 -0.00194 -0.00140 197 21 C 1S 0.00178 0.00862 -0.00079 0.00082 -0.00141 198 2S -0.00177 -0.02359 0.00154 -0.00154 0.00296 199 2PX 0.00923 -0.03111 0.00059 -0.00197 0.00426 200 2PY -0.04892 -0.01396 -0.00121 0.00315 -0.00379 201 2PZ -0.00344 0.00485 -0.00382 0.00262 -0.00389 202 3S -0.02603 -0.00287 0.00251 -0.00350 0.00507 203 3PX 0.00223 -0.00347 -0.00024 -0.00101 0.00231 204 3PY -0.02454 -0.00470 -0.00004 0.00062 -0.00191 205 3PZ 0.00836 -0.02682 -0.00164 0.00194 -0.00282 206 4XX -0.00094 0.00432 -0.00027 0.00012 -0.00022 207 4YY 0.00111 -0.00154 0.00002 0.00006 0.00019 208 4ZZ -0.00046 -0.00239 0.00019 -0.00011 -0.00013 209 4XY 0.00049 -0.00288 0.00020 0.00027 -0.00029 210 4XZ 0.00085 -0.00430 0.00005 0.00003 0.00005 211 4YZ 0.00253 -0.00072 0.00035 -0.00037 -0.00002 212 22 H 1S -0.01025 0.02380 -0.00093 0.00095 -0.00214 213 2S -0.00928 0.04475 -0.00185 0.00093 -0.00190 214 23 H 1S 0.00108 -0.02315 -0.00060 -0.00008 0.00024 215 2S 0.00083 -0.00888 -0.00017 0.00005 -0.00083 156 157 158 159 160 156 4XY 0.00112 157 4XZ 0.00029 0.00077 158 4YZ -0.00050 -0.00029 0.00107 159 15 C 1S -0.00023 -0.00085 0.00014 2.05350 160 2S -0.00003 0.00218 -0.00014 -0.06403 0.33137 161 2PX 0.01308 0.00024 -0.00005 -0.00214 -0.00416 162 2PY 0.00141 -0.00341 0.00030 -0.00016 -0.00369 163 2PZ 0.00028 -0.00030 0.01363 -0.00062 0.00592 164 3S 0.00465 0.00359 -0.00429 -0.16656 0.25600 165 3PX 0.00492 0.00062 0.00376 -0.00541 0.02252 166 3PY -0.00033 -0.00161 0.00169 -0.00323 0.01831 167 3PZ 0.00341 -0.00039 0.00641 0.00294 -0.01328 168 4XX -0.00032 -0.00007 -0.00018 -0.01548 -0.00686 169 4YY 0.00016 -0.00021 -0.00011 -0.01744 -0.00235 170 4ZZ 0.00018 -0.00008 0.00023 -0.01464 -0.00826 171 4XY 0.00044 0.00000 -0.00057 -0.00183 0.00345 172 4XZ 0.00000 0.00013 -0.00008 0.00454 -0.00957 173 4YZ -0.00057 0.00008 0.00041 0.00208 -0.00382 174 16 C 1S 0.00212 0.00020 -0.00113 0.01661 -0.03337 175 2S -0.00454 -0.00064 0.00238 -0.03093 0.05743 176 2PX -0.00154 -0.00035 0.01048 -0.06078 0.12959 177 2PY 0.00488 0.00074 -0.00275 0.02178 -0.03983 178 2PZ 0.00886 0.00032 0.00218 0.04384 -0.09115 179 3S -0.00771 0.00031 0.00203 -0.00856 0.03679 180 3PX 0.00016 -0.00013 0.00694 -0.01218 0.03680 181 3PY 0.00284 -0.00053 -0.00063 0.00926 -0.02391 182 3PZ 0.00481 0.00076 0.00190 0.00654 -0.01741 183 4XX 0.00036 0.00011 0.00037 -0.00330 0.00590 184 4YY 0.00004 -0.00023 -0.00012 0.00285 -0.00619 185 4ZZ 0.00000 0.00018 -0.00047 -0.00003 -0.00054 186 4XY 0.00008 -0.00010 -0.00016 0.00282 -0.00566 187 4XZ 0.00020 0.00001 0.00007 0.00455 -0.00869 188 4YZ -0.00013 0.00012 -0.00009 -0.00200 0.00420 189 17 H 1S 0.00403 0.00205 -0.00433 -0.00894 0.02001 190 2S 0.00129 0.00317 -0.00398 -0.01189 0.02558 191 18 H 1S -0.00998 -0.00774 0.00984 0.01288 -0.02651 192 2S -0.00889 -0.00510 0.00904 0.01472 -0.02540 193 19 H 1S 0.00576 -0.00056 -0.00543 -0.06256 0.11660 194 2S 0.00542 -0.00159 -0.00531 -0.01360 0.02417 195 20 H 1S 0.00189 0.00009 -0.00132 0.01219 -0.02477 196 2S 0.00171 0.00018 -0.00109 0.01116 -0.01992 197 21 C 1S 0.00099 0.00105 -0.00047 -0.00478 0.00984 198 2S -0.00232 -0.00246 0.00091 0.01044 -0.02368 199 2PX -0.00209 -0.00236 0.00075 0.01014 -0.02595 200 2PY 0.00474 0.00427 -0.00217 0.00122 -0.00984 201 2PZ 0.00337 0.00586 -0.00329 -0.01389 0.03186 202 3S -0.00227 -0.00353 0.00296 0.02050 -0.04110 203 3PX -0.00052 -0.00113 0.00075 0.00620 -0.01160 204 3PY 0.00381 0.00168 -0.00221 0.00288 -0.01050 205 3PZ 0.00028 0.00281 -0.00317 -0.01041 0.02207 206 4XX 0.00024 0.00018 0.00003 -0.00145 0.00325 207 4YY 0.00008 -0.00011 -0.00008 0.00095 -0.00197 208 4ZZ -0.00018 0.00001 -0.00011 -0.00023 0.00060 209 4XY 0.00000 0.00023 0.00042 -0.00115 0.00249 210 4XZ -0.00001 0.00028 -0.00018 0.00133 -0.00299 211 4YZ 0.00016 -0.00024 0.00010 0.00069 -0.00116 212 22 H 1S 0.00132 0.00125 -0.00026 -0.00834 0.01995 213 2S 0.00220 0.00103 0.00046 -0.01086 0.02642 214 23 H 1S -0.00013 0.00159 -0.00129 0.00105 -0.00345 215 2S 0.00078 0.00235 -0.00096 0.00012 -0.00154 161 162 163 164 165 161 2PX 0.37396 162 2PY 0.00817 0.41906 163 2PZ -0.04446 -0.00045 0.37852 164 3S 0.04393 0.01077 -0.02271 0.26432 165 3PX 0.15182 0.00258 0.05816 0.01634 0.08668 166 3PY -0.00384 0.13604 0.02126 0.00276 0.00755 167 3PZ 0.05147 0.01065 0.18504 -0.00397 0.05484 168 4XX -0.00773 0.00925 -0.00378 -0.00371 -0.00468 169 4YY 0.00622 -0.01282 -0.00470 -0.00155 0.00134 170 4ZZ 0.00499 0.00785 0.00346 -0.00579 0.00263 171 4XY 0.00612 0.00265 -0.01195 0.00471 0.00015 172 4XZ -0.00063 -0.01006 -0.00095 -0.00750 -0.00107 173 4YZ -0.01126 -0.00419 0.00439 -0.00806 -0.00265 174 16 C 1S 0.06376 -0.02727 -0.03648 0.01473 0.00613 175 2S -0.12764 0.06242 0.07600 0.00770 -0.02920 176 2PX -0.08145 0.11176 0.25156 0.05527 0.03262 177 2PY 0.07812 -0.01340 -0.03700 -0.07070 0.03497 178 2PZ 0.23182 -0.07213 0.00976 -0.06900 0.10232 179 3S -0.16445 0.01462 0.03328 -0.03004 -0.04555 180 3PX 0.00115 0.04881 0.13173 -0.00989 0.04186 181 3PY 0.04968 0.02217 0.00429 -0.01881 0.01923 182 3PZ 0.10591 -0.02986 0.03363 -0.01507 0.05577 183 4XX 0.00717 0.00463 0.01059 0.00778 0.00510 184 4YY 0.00444 -0.00939 -0.00538 -0.01008 0.00163 185 4ZZ -0.00132 0.00022 -0.01107 0.00325 -0.00357 186 4XY 0.00467 0.00687 -0.00707 -0.00258 0.00020 187 4XZ 0.00687 -0.00404 0.00017 -0.00620 0.00256 188 4YZ -0.00690 -0.00524 0.00128 0.00069 -0.00192 189 17 H 1S -0.01118 -0.03151 -0.00509 0.05362 -0.00669 190 2S -0.03472 -0.05913 -0.02090 0.05628 -0.02228 191 18 H 1S -0.01715 0.04449 0.01074 -0.06040 0.00143 192 2S -0.03286 0.08019 0.03468 -0.06446 0.00416 193 19 H 1S 0.15490 0.15405 -0.15067 0.12988 0.04110 194 2S 0.13610 0.13143 -0.13517 0.05903 0.02579 195 20 H 1S 0.02916 -0.03156 -0.01805 -0.06205 0.01870 196 2S 0.03480 -0.05770 -0.02617 -0.05687 0.01982 197 21 C 1S -0.00634 -0.00742 0.01093 0.01703 -0.00336 198 2S 0.01066 0.01219 -0.03541 -0.03537 0.00177 199 2PX 0.00051 0.00410 -0.03392 -0.05022 -0.00371 200 2PY 0.03563 -0.02201 -0.00423 0.06258 -0.00214 201 2PZ -0.03726 -0.01763 0.00608 0.06851 -0.02546 202 3S 0.04923 0.08734 -0.01933 -0.03876 0.01728 203 3PX 0.00654 0.00655 0.00112 -0.01814 0.00141 204 3PY 0.03783 -0.01118 -0.01734 0.03174 0.00266 205 3PZ -0.05816 -0.03821 -0.03226 0.02661 -0.03344 206 4XX -0.00042 -0.00008 0.00680 0.00549 0.00018 207 4YY 0.00359 -0.00075 -0.00255 -0.00310 0.00163 208 4ZZ -0.00690 0.00106 -0.00257 -0.00030 -0.00333 209 4XY -0.00036 0.00076 0.00700 0.00052 0.00243 210 4XZ 0.00194 -0.00077 -0.00832 -0.00216 -0.00027 211 4YZ 0.00407 0.00063 0.00039 -0.00435 0.00280 212 22 H 1S -0.00743 0.00452 0.03274 0.03828 -0.00170 213 2S -0.00307 0.00239 0.07087 0.04612 0.00372 214 23 H 1S -0.02090 -0.00265 -0.03262 0.00174 -0.01675 215 2S -0.00979 -0.00281 -0.01650 0.00803 -0.00721 166 167 168 169 170 166 3PY 0.05455 167 3PZ 0.01118 0.11049 168 4XX 0.00171 -0.00276 0.00095 169 4YY -0.00352 -0.00105 -0.00035 0.00112 170 4ZZ 0.00197 0.00273 0.00025 -0.00011 0.00080 171 4XY 0.00028 -0.00461 -0.00010 0.00011 0.00007 172 4XZ -0.00322 -0.00012 -0.00008 0.00045 -0.00015 173 4YZ -0.00019 -0.00079 -0.00002 0.00001 0.00003 174 16 C 1S -0.00667 0.00610 -0.00286 0.00245 -0.00068 175 2S 0.01128 0.00234 0.00532 -0.00591 0.00089 176 2PX 0.07570 0.10301 -0.00576 -0.00620 0.00259 177 2PY 0.02112 -0.00814 -0.00508 0.01054 -0.00208 178 2PZ -0.03896 0.04228 -0.00738 0.00518 0.00936 179 3S -0.00302 -0.03366 0.00594 -0.00498 -0.00067 180 3PX 0.03888 0.05937 -0.00453 -0.00198 0.00330 181 3PY 0.01219 0.01419 -0.00107 0.00297 0.00017 182 3PZ -0.01165 0.03289 -0.00487 0.00213 0.00447 183 4XX 0.00277 0.00766 -0.00029 -0.00018 -0.00004 184 4YY -0.00248 -0.00298 -0.00024 0.00074 0.00006 185 4ZZ -0.00104 -0.00530 0.00017 -0.00004 -0.00016 186 4XY 0.00116 -0.00205 0.00034 -0.00016 0.00024 187 4XZ -0.00177 0.00192 -0.00002 0.00023 0.00013 188 4YZ -0.00013 -0.00094 -0.00014 0.00032 -0.00049 189 17 H 1S -0.02769 -0.00887 -0.00010 -0.00202 -0.00038 190 2S -0.03802 -0.02184 0.00044 -0.00194 -0.00140 191 18 H 1S 0.02306 -0.00140 0.00153 0.00058 0.00144 192 2S 0.03583 0.00459 0.00254 -0.00296 0.00274 193 19 H 1S 0.04419 -0.04701 -0.00006 -0.00144 0.00090 194 2S 0.02900 -0.03688 0.00166 -0.00090 0.00251 195 20 H 1S -0.00220 -0.01316 -0.00207 0.00615 -0.00030 196 2S -0.00505 -0.01485 -0.00404 0.00678 -0.00054 197 21 C 1S -0.00178 0.00862 -0.00079 0.00082 -0.00141 198 2S 0.00177 -0.02359 0.00154 -0.00154 0.00296 199 2PX -0.00923 -0.03111 0.00059 -0.00197 0.00426 200 2PY -0.04892 0.01396 0.00121 -0.00315 0.00379 201 2PZ 0.00344 0.00485 -0.00382 0.00262 -0.00389 202 3S 0.02603 -0.00287 0.00251 -0.00350 0.00507 203 3PX -0.00223 -0.00347 -0.00024 -0.00101 0.00231 204 3PY -0.02454 0.00471 0.00004 -0.00062 0.00191 205 3PZ -0.00836 -0.02682 -0.00164 0.00194 -0.00282 206 4XX 0.00094 0.00432 -0.00027 0.00012 -0.00022 207 4YY -0.00111 -0.00154 0.00002 0.00006 0.00019 208 4ZZ 0.00046 -0.00239 0.00019 -0.00011 -0.00013 209 4XY 0.00049 0.00288 -0.00020 -0.00027 0.00029 210 4XZ -0.00085 -0.00430 0.00005 0.00003 0.00005 211 4YZ 0.00253 0.00072 -0.00035 0.00037 0.00002 212 22 H 1S 0.01025 0.02380 -0.00093 0.00095 -0.00214 213 2S 0.00928 0.04475 -0.00185 0.00093 -0.00190 214 23 H 1S -0.00108 -0.02315 -0.00060 -0.00008 0.00024 215 2S -0.00083 -0.00888 -0.00017 0.00005 -0.00083 171 172 173 174 175 171 4XY 0.00112 172 4XZ -0.00029 0.00077 173 4YZ -0.00050 0.00029 0.00107 174 16 C 1S 0.00310 0.00415 -0.00245 2.05588 175 2S -0.00586 -0.00779 0.00443 -0.06347 0.33136 176 2PX -0.00403 -0.00543 0.00626 -0.00188 0.00585 177 2PY -0.00533 0.00702 0.00480 -0.00383 -0.00245 178 2PZ 0.00570 -0.00061 -0.00117 -0.00083 0.00299 179 3S -0.00785 -0.00508 0.00803 -0.20651 0.31272 180 3PX -0.00115 -0.00191 0.00470 0.00614 -0.01452 181 3PY -0.00216 0.00177 -0.00037 0.01021 0.00362 182 3PZ 0.00268 -0.00090 0.00044 0.00534 -0.00134 183 4XX -0.00013 -0.00005 -0.00038 -0.01198 -0.01143 184 4YY 0.00006 0.00028 0.00020 -0.01922 0.00304 185 4ZZ 0.00039 0.00018 -0.00017 -0.01278 -0.00997 186 4XY 0.00034 -0.00006 -0.00026 0.00142 -0.00304 187 4XZ -0.00012 0.00044 -0.00012 0.00284 -0.00630 188 4YZ -0.00033 0.00027 0.00039 -0.00101 0.00194 189 17 H 1S -0.00189 0.00009 0.00132 -0.00895 0.02085 190 2S -0.00171 0.00018 0.00109 -0.01155 0.02975 191 18 H 1S -0.00576 -0.00056 0.00543 -0.00892 0.02090 192 2S -0.00542 -0.00159 0.00531 -0.01359 0.02920 193 19 H 1S 0.00998 -0.00774 -0.00984 0.01289 -0.02687 194 2S 0.00889 -0.00510 -0.00904 0.01717 -0.02960 195 20 H 1S -0.00403 0.00205 0.00433 -0.06339 0.11899 196 2S -0.00129 0.00317 0.00398 -0.01474 0.02691 197 21 C 1S -0.00099 0.00105 0.00047 0.01239 -0.02252 198 2S 0.00232 -0.00246 -0.00091 -0.02352 0.04064 199 2PX 0.00209 -0.00236 -0.00075 -0.01370 0.02561 200 2PY 0.00474 -0.00427 -0.00217 -0.05293 0.11431 201 2PZ -0.00337 0.00586 0.00329 0.04216 -0.08692 202 3S 0.00226 -0.00353 -0.00296 0.00484 0.01016 203 3PX 0.00052 -0.00113 -0.00075 -0.00078 0.00570 204 3PY 0.00381 -0.00168 -0.00221 -0.00832 0.02930 205 3PZ -0.00028 0.00281 0.00317 0.00745 -0.02434 206 4XX -0.00024 0.00018 -0.00003 0.00201 -0.00424 207 4YY -0.00008 -0.00011 0.00008 -0.00355 0.00604 208 4ZZ 0.00018 0.00001 0.00011 -0.00031 -0.00008 209 4XY 0.00000 -0.00023 0.00042 -0.00221 0.00436 210 4XZ 0.00001 0.00028 0.00018 0.00203 -0.00388 211 4YZ 0.00016 0.00024 0.00010 0.00495 -0.01002 212 22 H 1S -0.00132 0.00125 0.00026 0.00787 -0.01726 213 2S -0.00220 0.00103 -0.00046 0.01093 -0.01961 214 23 H 1S 0.00013 0.00159 0.00129 0.00924 -0.02396 215 2S -0.00078 0.00235 0.00096 0.01403 -0.03102 176 177 178 179 180 176 2PX 0.36493 177 2PY -0.01259 0.42724 178 2PZ -0.05574 0.00473 0.35262 179 3S -0.02760 0.02674 -0.02525 0.34826 180 3PX 0.19121 0.01420 0.03487 -0.02863 0.12345 181 3PY -0.00868 0.13562 0.00838 -0.00098 -0.00060 182 3PZ 0.02110 0.00760 0.16583 -0.01743 0.04274 183 4XX 0.01109 -0.00331 -0.00456 -0.01294 0.00519 184 4YY -0.00899 0.01392 0.00980 0.00628 -0.00208 185 4ZZ -0.00512 -0.00565 -0.00433 -0.00800 -0.00349 186 4XY -0.00718 -0.00491 0.00270 -0.00332 -0.00275 187 4XZ -0.00562 0.00313 0.00386 -0.00569 -0.00165 188 4YZ 0.00287 0.01289 -0.00898 0.00441 0.00057 189 17 H 1S -0.01221 -0.02911 0.00808 0.04281 -0.01646 190 2S -0.03652 -0.05780 -0.00213 0.05261 -0.03535 191 18 H 1S 0.02527 -0.01547 -0.01355 0.04296 0.02338 192 2S 0.05793 -0.02838 -0.02455 0.04959 0.03988 193 19 H 1S -0.03861 -0.00372 0.02926 -0.05788 -0.02140 194 2S -0.07837 -0.01894 0.05448 -0.05989 -0.03823 195 20 H 1S -0.04898 0.25521 0.05992 0.13648 -0.00946 196 2S -0.01754 0.20899 0.05506 0.04306 0.01126 197 21 C 1S 0.02049 0.04745 -0.03706 -0.00121 0.00107 198 2S -0.04682 -0.09464 0.07546 0.02020 -0.00793 199 2PX 0.00589 -0.04870 0.06089 0.02819 0.00323 200 2PY -0.08426 -0.17875 0.17360 0.07463 -0.04034 201 2PZ 0.07960 0.13634 -0.08152 -0.09527 0.02687 202 3S -0.02402 -0.11341 0.07383 -0.02468 0.00393 203 3PX 0.01762 -0.02014 0.03020 -0.00055 0.00695 204 3PY -0.04888 -0.08053 0.09345 0.00571 -0.02095 205 3PZ 0.02088 0.05972 -0.04275 -0.01528 0.00289 206 4XX 0.00658 0.00374 -0.00424 -0.00672 0.00246 207 4YY -0.00459 0.00468 0.00594 0.00846 -0.00170 208 4ZZ 0.00112 -0.00241 -0.00544 -0.00006 -0.00013 209 4XY 0.00845 -0.00456 0.00719 0.00361 0.00634 210 4XZ -0.00382 0.00486 0.00064 -0.00170 -0.00124 211 4YZ 0.00632 0.00988 -0.00069 -0.00934 0.00529 212 22 H 1S 0.01653 0.01558 -0.02926 -0.03687 0.00848 213 2S 0.04844 0.02670 -0.03364 -0.04455 0.01891 214 23 H 1S 0.01836 0.01690 -0.00363 -0.03165 0.00839 215 2S 0.01334 0.03576 -0.02834 -0.03246 0.00469 181 182 183 184 185 181 3PY 0.05500 182 3PZ 0.00415 0.08841 183 4XX 0.00008 -0.00041 0.00154 184 4YY 0.00352 0.00334 -0.00081 0.00174 185 4ZZ -0.00209 -0.00282 0.00022 -0.00043 0.00111 186 4XY -0.00110 0.00016 -0.00001 -0.00010 0.00025 187 4XZ 0.00176 0.00100 0.00009 0.00020 0.00008 188 4YZ 0.00286 -0.00322 -0.00006 0.00029 -0.00027 189 17 H 1S -0.01299 0.01188 -0.00009 -0.00369 0.00170 190 2S -0.02475 0.00168 -0.00140 -0.00398 0.00255 191 18 H 1S -0.00293 -0.01060 -0.00009 -0.00184 -0.00045 192 2S -0.00922 -0.01230 0.00043 -0.00218 -0.00148 193 19 H 1S 0.00933 0.01195 0.00248 -0.00235 0.00349 194 2S 0.00846 0.01559 0.00025 -0.00069 0.00325 195 20 H 1S 0.07951 0.02550 -0.00857 0.01352 -0.00743 196 2S 0.05456 0.02621 -0.00561 0.01161 -0.00495 197 21 C 1S 0.01027 -0.00275 0.00197 -0.00265 -0.00113 198 2S -0.02774 0.01298 -0.00497 0.00463 0.00172 199 2PX -0.01176 0.01871 -0.00769 0.00327 0.00244 200 2PY -0.04571 0.08014 -0.00363 -0.00682 0.00305 201 2PZ 0.04875 -0.02725 0.00562 -0.00833 0.01001 202 3S -0.02365 0.01055 -0.00145 0.00116 0.00223 203 3PX -0.00044 0.01148 -0.00249 0.00081 0.00101 204 3PY -0.01963 0.04240 -0.00141 -0.00284 0.00211 205 3PZ 0.01042 -0.01664 -0.00079 -0.00182 0.00499 206 4XX 0.00200 -0.00108 0.00070 -0.00051 0.00016 207 4YY 0.00116 0.00276 -0.00050 0.00060 -0.00049 208 4ZZ -0.00112 -0.00269 -0.00015 -0.00019 0.00036 209 4XY -0.00210 0.00496 0.00008 -0.00025 -0.00016 210 4XZ 0.00136 -0.00037 -0.00026 -0.00007 0.00065 211 4YZ 0.00247 0.00051 0.00027 0.00048 -0.00015 212 22 H 1S 0.00796 -0.01133 0.00497 -0.00263 0.00063 213 2S 0.01766 -0.00531 0.00637 -0.00351 -0.00087 214 23 H 1S 0.00939 -0.00847 -0.00180 -0.00181 0.00740 215 2S 0.01610 -0.01497 0.00055 -0.00312 0.00601 186 187 188 189 190 186 4XY 0.00062 187 4XZ 0.00005 0.00068 188 4YZ -0.00046 -0.00010 0.00095 189 17 H 1S -0.00058 -0.00092 -0.00042 0.21329 190 2S -0.00069 -0.00156 -0.00061 0.15226 0.13687 191 18 H 1S 0.00181 0.00009 -0.00180 -0.01567 -0.01675 192 2S 0.00159 -0.00035 -0.00196 -0.01747 -0.02006 193 19 H 1S 0.00496 -0.00238 -0.00423 -0.00984 -0.01818 194 2S 0.00590 -0.00011 -0.00553 -0.01776 -0.02241 195 20 H 1S -0.00359 0.00054 0.00746 -0.01139 -0.02246 196 2S -0.00315 0.00096 0.00642 -0.02246 -0.03172 197 21 C 1S -0.00236 0.00125 0.00514 0.01067 0.00975 198 2S 0.00467 -0.00242 -0.00961 -0.02193 -0.01867 199 2PX -0.00428 0.00654 -0.00465 -0.00404 -0.00505 200 2PY 0.00320 -0.00182 -0.00847 0.04631 0.07845 201 2PZ -0.00474 0.00062 0.00352 0.01414 0.01812 202 3S 0.00649 -0.00161 -0.01206 -0.05409 -0.04478 203 3PX -0.00250 0.00317 -0.00239 -0.00513 -0.00484 204 3PY 0.00205 -0.00034 -0.00439 0.02630 0.03437 205 3PZ -0.00260 -0.00109 0.00266 0.01661 0.02206 206 4XX -0.00010 -0.00025 0.00014 -0.00140 -0.00072 207 4YY -0.00005 0.00009 0.00016 0.00677 0.00426 208 4ZZ -0.00011 0.00009 0.00008 -0.00225 -0.00162 209 4XY -0.00008 -0.00017 -0.00015 0.00106 0.00094 210 4XZ -0.00010 0.00052 -0.00009 0.00149 0.00129 211 4YZ -0.00008 0.00019 0.00029 -0.00221 -0.00539 212 22 H 1S 0.00275 -0.00505 -0.00003 -0.00923 -0.00573 213 2S 0.00026 -0.00360 0.00169 -0.00712 -0.00702 214 23 H 1S -0.00218 0.00249 -0.00300 -0.00518 -0.00203 215 2S -0.00230 0.00373 -0.00017 -0.00145 -0.00294 191 192 193 194 195 191 18 H 1S 0.21483 192 2S 0.16355 0.14590 193 19 H 1S -0.01578 -0.01601 0.21483 194 2S -0.01601 -0.01873 0.16355 0.14590 195 20 H 1S -0.00984 -0.01777 -0.01567 -0.01747 0.21329 196 2S -0.01818 -0.02241 -0.01675 -0.02006 0.15226 197 21 C 1S -0.00796 -0.00987 -0.00796 -0.00987 0.01067 198 2S 0.01746 0.02282 0.01746 0.02281 -0.02193 199 2PX 0.01113 0.02349 0.01113 0.02349 -0.00404 200 2PY -0.02208 -0.04540 0.02208 0.04540 -0.04631 201 2PZ -0.02496 -0.04513 -0.02496 -0.04513 0.01414 202 3S 0.04657 0.05248 0.04657 0.05248 -0.05409 203 3PX 0.00339 0.00984 0.00340 0.00984 -0.00513 204 3PY -0.02278 -0.03508 0.02278 0.03508 -0.02630 205 3PZ -0.02124 -0.03041 -0.02124 -0.03041 0.01661 206 4XX -0.00177 -0.00270 -0.00177 -0.00270 -0.00140 207 4YY 0.00101 0.00131 0.00101 0.00131 0.00677 208 4ZZ -0.00072 -0.00056 -0.00072 -0.00056 -0.00225 209 4XY 0.00154 0.00226 -0.00154 -0.00226 -0.00106 210 4XZ 0.00148 0.00105 0.00148 0.00105 0.00149 211 4YZ -0.00048 0.00042 0.00048 -0.00042 0.00221 212 22 H 1S -0.00900 -0.01771 -0.00900 -0.01771 -0.00923 213 2S -0.01792 -0.02384 -0.01792 -0.02384 -0.00712 214 23 H 1S -0.00157 -0.00570 -0.00157 -0.00570 -0.00518 215 2S -0.00398 -0.00896 -0.00398 -0.00896 -0.00145 196 197 198 199 200 196 2S 0.13687 197 21 C 1S 0.00975 2.05183 198 2S -0.01867 -0.05486 0.31004 199 2PX -0.00505 0.00251 -0.00279 0.41673 200 2PY -0.07845 0.00000 0.00000 0.00000 0.37652 201 2PZ 0.01812 -0.00293 -0.00199 -0.00588 0.00000 202 3S -0.04478 -0.18941 0.28950 -0.00311 0.00000 203 3PX -0.00484 0.00220 -0.00785 0.19464 0.00000 204 3PY -0.03437 0.00000 0.00000 0.00000 0.17400 205 3PZ 0.02206 -0.00169 0.01057 0.00167 0.00000 206 4XX -0.00072 -0.01854 0.00085 -0.01437 0.00000 207 4YY 0.00426 -0.01402 -0.00803 0.00503 0.00000 208 4ZZ -0.00162 -0.01722 -0.00185 0.00884 0.00000 209 4XY -0.00094 0.00000 0.00000 0.00000 0.00857 210 4XZ 0.00129 0.00024 -0.00038 0.01750 0.00000 211 4YZ 0.00539 0.00000 0.00000 0.00000 -0.01626 212 22 H 1S -0.00573 -0.05636 0.10716 -0.25461 0.00000 213 2S -0.00702 -0.00597 0.01925 -0.20015 0.00000 214 23 H 1S -0.00203 -0.05181 0.09899 0.16107 0.00000 215 2S -0.00294 -0.00301 0.01254 0.12985 0.00000 201 202 203 204 205 201 2PZ 0.39894 202 3S -0.00386 0.31537 203 3PX 0.00848 -0.00338 0.09623 204 3PY 0.00000 0.00000 0.00000 0.08615 205 3PZ 0.17163 -0.00579 0.00029 0.00000 0.09298 206 4XX 0.01432 0.00292 -0.00567 0.00000 0.00517 207 4YY -0.01331 -0.00795 0.00201 0.00000 -0.00531 208 4ZZ 0.00523 -0.00108 0.00376 0.00000 0.00316 209 4XY 0.00000 0.00000 0.00000 0.00344 0.00000 210 4XZ 0.01311 -0.00060 0.00783 0.00000 0.00583 211 4YZ 0.00000 0.00000 0.00000 -0.00652 0.00000 212 22 H 1S 0.08490 0.10456 -0.11552 0.00000 0.03388 213 2S 0.06842 0.01980 -0.08197 0.00000 0.01462 214 23 H 1S 0.20744 0.09241 0.07687 0.00000 0.09508 215 2S 0.17650 0.00969 0.06141 0.00000 0.07279 206 207 208 209 210 206 4XX 0.00136 207 4YY -0.00067 0.00136 208 4ZZ -0.00003 -0.00014 0.00077 209 4XY 0.00000 0.00000 0.00000 0.00076 210 4XZ -0.00038 -0.00011 0.00059 0.00000 0.00164 211 4YZ 0.00000 0.00000 0.00000 -0.00019 0.00000 212 22 H 1S 0.01309 -0.00885 -0.00479 0.00000 -0.00921 213 2S 0.01118 -0.00594 -0.00438 0.00000 -0.00874 214 23 H 1S 0.00197 -0.00783 0.00673 0.00000 0.01452 215 2S 0.00105 -0.00561 0.00638 0.00000 0.01325 211 212 213 214 215 211 4YZ 0.00111 212 22 H 1S 0.00000 0.21329 213 2S 0.00000 0.15283 0.13978 214 23 H 1S 0.00000 -0.02248 -0.04184 0.20917 215 2S 0.00000 -0.04153 -0.03934 0.15546 0.13898 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05488 2 2S -0.01440 0.33152 3 2PX 0.00000 0.00000 0.38170 4 2PY 0.00000 0.00000 0.00000 0.44170 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.35287 6 3S -0.03683 0.26103 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10319 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06741 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11080 10 4XX -0.00131 -0.00375 0.00000 0.00000 0.00000 11 4YY -0.00144 -0.00045 0.00000 0.00000 0.00000 12 4ZZ -0.00112 -0.00711 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S -0.00204 0.03246 0.04617 0.02884 0.02486 17 2S -0.00101 0.01109 0.02857 0.01534 0.01536 18 3 C 1S 0.00000 -0.00076 0.00000 -0.00368 0.00000 19 2S -0.00076 0.01412 0.00000 0.04861 0.00000 20 2PX 0.00000 0.00000 0.01479 0.00000 0.00000 21 2PY -0.00368 0.04861 0.00000 0.10831 0.00000 22 2PZ 0.00000 0.00000 0.00000 0.00000 0.02369 23 3S 0.00138 -0.00495 0.00000 0.03436 0.00000 24 3PX 0.00000 0.00000 0.01962 0.00000 0.00000 25 3PY -0.00031 0.00983 0.00000 0.01602 0.00000 26 3PZ 0.00000 0.00000 0.00000 0.00000 0.03262 27 4XX 0.00000 -0.00062 0.00000 -0.00151 0.00000 28 4YY -0.00031 0.00344 0.00000 0.00225 0.00000 29 4ZZ 0.00000 -0.00053 0.00000 -0.00130 0.00000 30 4XY 0.00000 0.00000 0.00259 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00254 33 4 H 1S 0.00000 -0.00021 -0.00008 -0.00064 -0.00005 34 2S 0.00021 -0.00301 -0.00129 -0.00717 -0.00074 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00006 -0.00003 -0.00025 -0.00002 37 2PX 0.00000 -0.00006 -0.00003 -0.00015 0.00001 38 2PY 0.00000 -0.00017 -0.00007 -0.00045 -0.00002 39 2PZ 0.00000 -0.00004 0.00001 -0.00012 -0.00001 40 3S 0.00001 -0.00077 -0.00109 -0.00274 -0.00050 41 3PX 0.00002 -0.00052 0.00005 -0.00067 -0.00032 42 3PY -0.00014 0.00147 -0.00052 0.00256 0.00000 43 3PZ 0.00000 -0.00015 -0.00032 -0.00029 0.00013 44 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 45 4YY 0.00000 0.00002 0.00000 0.00009 0.00000 46 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 47 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00002 0.00001 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 52 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00003 53 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 54 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00001 55 3S 0.00000 0.00019 -0.00009 -0.00014 0.00010 56 3PX 0.00002 -0.00045 0.00026 -0.00021 -0.00064 57 3PY 0.00000 0.00008 0.00028 -0.00009 -0.00015 58 3PZ 0.00000 0.00000 -0.00004 -0.00015 0.00018 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00001 0.00000 0.00000 -0.00002 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00006 -0.00018 0.00000 -0.00009 69 2PX 0.00000 -0.00019 -0.00031 0.00000 -0.00032 70 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 71 2PZ 0.00000 -0.00009 -0.00028 0.00000 -0.00005 72 3S 0.00012 -0.00277 -0.00533 -0.00003 -0.00217 73 3PX 0.00014 -0.00282 -0.00305 -0.00002 -0.00330 74 3PY 0.00000 0.00001 0.00006 -0.00033 0.00002 75 3PZ 0.00005 -0.00098 -0.00217 -0.00001 -0.00026 76 4XX 0.00000 0.00000 0.00001 0.00000 0.00002 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00003 0.00000 0.00001 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00012 0.00028 0.00003 0.00012 84 10 C 1S 0.00000 -0.00028 -0.00076 -0.00045 -0.00046 85 2S -0.00026 0.00696 0.01438 0.00896 0.00861 86 2PX -0.00074 0.01363 0.00912 0.01375 0.01859 87 2PY -0.00042 0.00696 0.01360 0.00173 0.00891 88 2PZ -0.00046 0.00858 0.01904 0.00898 0.00070 89 3S 0.00016 0.00574 0.01506 0.00832 0.00942 90 3PX 0.00028 0.00011 0.00009 0.00257 0.00334 91 3PY -0.00011 0.00418 0.00615 0.00194 0.00426 92 3PZ 0.00011 0.00086 0.00419 0.00138 0.00111 93 4XX -0.00002 0.00039 -0.00075 0.00065 0.00048 94 4YY 0.00000 -0.00024 -0.00016 -0.00042 -0.00017 95 4ZZ -0.00001 0.00017 0.00043 0.00043 -0.00027 96 4XY -0.00009 0.00148 0.00085 0.00028 0.00167 97 4XZ -0.00005 0.00075 0.00018 0.00080 -0.00004 98 4YZ -0.00005 0.00081 0.00153 0.00013 0.00005 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 106 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 -0.00001 -0.00006 -0.00001 116 2PX 0.00000 -0.00004 -0.00002 -0.00012 -0.00004 117 2PY 0.00000 -0.00005 -0.00006 -0.00017 -0.00005 118 2PZ 0.00000 -0.00003 -0.00004 -0.00010 0.00000 119 3S 0.00000 -0.00007 0.00025 -0.00226 0.00010 120 3PX 0.00005 -0.00141 -0.00002 -0.00226 -0.00084 121 3PY 0.00004 -0.00089 -0.00052 -0.00288 -0.00064 122 3PZ 0.00004 -0.00100 -0.00084 -0.00196 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 -0.00001 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 136 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 -0.00001 -0.00003 0.00000 0.00000 180 3PX 0.00000 -0.00001 -0.00004 0.00000 0.00000 181 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00001 0.00001 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 -0.00001 -0.00008 0.00000 -0.00003 203 3PX 0.00000 -0.00006 -0.00040 0.00000 -0.00011 204 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00009 0.00000 -0.00001 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 213 2S 0.00002 -0.00022 0.00099 -0.00003 0.00074 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.46783 7 3PX 0.00000 0.10016 8 3PY 0.00000 0.00000 0.06109 9 3PZ 0.00000 0.00000 0.00000 0.11851 10 4XX -0.00144 0.00000 0.00000 0.00000 0.00077 11 4YY -0.00274 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00441 0.00000 0.00000 0.00000 0.00014 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S 0.04349 0.02302 0.00944 0.01267 0.00095 17 2S 0.00533 0.02216 0.00725 0.01167 0.00154 18 3 C 1S 0.00138 0.00000 -0.00031 0.00000 0.00000 19 2S -0.00495 0.00000 0.00983 0.00000 -0.00062 20 2PX 0.00000 0.01962 0.00000 0.00000 0.00000 21 2PY 0.03436 0.00000 0.01602 0.00000 -0.00151 22 2PZ 0.00000 0.00000 0.00000 0.03262 0.00000 23 3S -0.10064 0.00000 -0.02511 0.00000 -0.00130 24 3PX 0.00000 0.02966 0.00000 0.00000 0.00000 25 3PY -0.02511 0.00000 0.00037 0.00000 -0.00127 26 3PZ 0.00000 0.00000 0.00000 0.05159 0.00000 27 4XX -0.00130 0.00000 -0.00127 0.00000 0.00003 28 4YY 0.00387 0.00000 0.00100 0.00000 -0.00004 29 4ZZ -0.00093 0.00000 -0.00091 0.00000 0.00001 30 4XY 0.00000 0.00111 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00129 0.00000 33 4 H 1S -0.00364 -0.00047 -0.00299 -0.00032 0.00000 34 2S -0.00559 -0.00227 -0.00570 -0.00117 0.00014 35 5 C 1S -0.00007 -0.00004 0.00000 -0.00002 0.00000 36 2S 0.00003 0.00011 -0.00145 -0.00006 0.00000 37 2PX -0.00028 0.00002 -0.00029 -0.00007 0.00000 38 2PY -0.00416 -0.00048 -0.00419 -0.00013 0.00000 39 2PZ 0.00007 0.00000 -0.00004 0.00000 0.00000 40 3S 0.00036 -0.00114 -0.00446 -0.00035 0.00004 41 3PX -0.00207 0.00062 0.00032 -0.00080 0.00002 42 3PY 0.00433 -0.00028 0.00251 0.00031 -0.00010 43 3PZ 0.00025 -0.00065 0.00102 -0.00016 0.00002 44 4XX -0.00010 -0.00009 -0.00012 0.00015 0.00000 45 4YY 0.00024 -0.00003 0.00040 -0.00001 0.00000 46 4ZZ -0.00015 0.00013 -0.00019 -0.00010 0.00000 47 4XY -0.00017 0.00000 -0.00024 0.00012 0.00000 48 4XZ -0.00002 0.00000 -0.00002 0.00000 0.00000 49 4YZ -0.00008 0.00010 -0.00016 0.00005 0.00000 50 6 C 1S 0.00001 0.00003 0.00001 0.00001 0.00000 51 2S 0.00005 -0.00042 0.00005 -0.00012 0.00000 52 2PX -0.00058 0.00017 0.00015 -0.00079 0.00000 53 2PY -0.00009 -0.00011 -0.00007 -0.00021 0.00000 54 2PZ 0.00006 -0.00029 -0.00005 0.00022 0.00000 55 3S 0.00508 -0.00192 0.00245 -0.00041 0.00000 56 3PX -0.00340 0.00053 0.00013 -0.00245 -0.00001 57 3PY 0.00268 0.00066 0.00002 -0.00080 -0.00002 58 3PZ 0.00004 -0.00038 -0.00039 0.00022 0.00003 59 4XX -0.00003 -0.00001 -0.00002 0.00001 0.00000 60 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 61 4ZZ 0.00001 0.00002 0.00000 -0.00001 0.00000 62 4XY -0.00004 -0.00002 0.00001 -0.00002 0.00000 63 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 64 4YZ -0.00002 -0.00002 0.00001 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 66 2S -0.00029 0.00002 -0.00007 -0.00019 0.00000 67 8 C 1S 0.00008 0.00008 0.00000 0.00003 0.00000 68 2S -0.00231 -0.00192 -0.00002 -0.00082 0.00001 69 2PX -0.00477 -0.00208 -0.00007 -0.00275 0.00002 70 2PY 0.00002 0.00002 -0.00038 0.00000 0.00000 71 2PZ -0.00220 -0.00270 -0.00003 -0.00015 0.00003 72 3S -0.02289 -0.01093 -0.00001 -0.00267 0.00015 73 3PX -0.01182 -0.00290 -0.00013 -0.00558 0.00009 74 3PY -0.00002 0.00010 -0.00259 0.00003 0.00000 75 3PZ -0.00362 -0.00347 -0.00005 0.00004 0.00023 76 4XX 0.00005 0.00004 0.00000 0.00017 0.00000 77 4YY 0.00000 -0.00010 0.00000 -0.00005 0.00000 78 4ZZ 0.00013 0.00025 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 -0.00003 0.00000 0.00000 80 4XZ 0.00002 0.00010 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 82 9 H 1S 0.00008 0.00013 0.00002 0.00007 0.00000 83 2S 0.00230 0.00225 0.00018 0.00080 -0.00001 84 10 C 1S 0.00103 0.00037 -0.00110 0.00011 -0.00003 85 2S -0.00201 0.00303 0.00722 0.00221 0.00056 86 2PX 0.02005 -0.00063 0.00994 0.01012 -0.00045 87 2PY 0.01407 0.01020 0.00167 0.00634 0.00054 88 2PZ 0.01069 0.01032 0.00652 -0.00047 0.00041 89 3S -0.00943 0.00506 0.00483 0.00406 0.00079 90 3PX -0.00072 0.00056 0.00145 0.00292 -0.00031 91 3PY -0.00327 0.00115 0.00058 0.00140 -0.00016 92 3PZ -0.00416 0.00233 0.00196 0.00309 0.00053 93 4XX 0.00128 -0.00061 -0.00002 0.00116 0.00001 94 4YY -0.00107 -0.00037 -0.00025 -0.00028 -0.00005 95 4ZZ 0.00179 0.00153 -0.00010 -0.00054 0.00001 96 4XY 0.00161 0.00000 0.00000 0.00044 -0.00001 97 4XZ 0.00040 0.00000 0.00009 0.00003 0.00002 98 4YZ 0.00096 0.00044 0.00001 0.00002 -0.00003 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 101 2PX 0.00003 0.00000 0.00010 -0.00002 0.00000 102 2PY 0.00009 0.00002 0.00018 -0.00001 0.00000 103 2PZ 0.00003 -0.00001 0.00010 0.00000 0.00000 104 3S 0.00007 -0.00003 0.00035 -0.00001 0.00000 105 3PX 0.00043 -0.00007 0.00098 -0.00018 0.00000 106 3PY 0.00104 0.00021 0.00146 -0.00008 0.00000 107 3PZ 0.00037 -0.00014 0.00096 -0.00012 0.00000 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 109 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00002 -0.00003 0.00000 -0.00002 0.00000 115 2S -0.00076 0.00021 0.00063 0.00008 0.00000 116 2PX -0.00284 0.00007 0.00098 -0.00041 0.00000 117 2PY -0.00354 -0.00221 0.00173 -0.00170 0.00000 118 2PZ -0.00261 -0.00075 0.00113 0.00001 0.00000 119 3S 0.00043 0.00269 -0.00204 0.00171 0.00000 120 3PX -0.01379 0.00084 0.00263 -0.00182 -0.00002 121 3PY -0.01265 -0.00525 0.00295 -0.00440 -0.00011 122 3PZ -0.01221 -0.00275 0.00292 -0.00006 0.00002 123 4XX 0.00012 -0.00001 -0.00009 0.00002 0.00000 124 4YY -0.00054 -0.00033 0.00039 -0.00022 0.00000 125 4ZZ 0.00002 0.00003 0.00000 -0.00001 0.00000 126 4XY -0.00013 -0.00001 0.00013 0.00003 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00017 -0.00001 0.00015 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00003 0.00000 0.00000 0.00000 135 3PX -0.00009 -0.00018 -0.00005 0.00000 0.00000 136 3PY -0.00006 -0.00016 -0.00002 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 150 3PX -0.00002 0.00002 0.00000 -0.00001 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00007 0.00000 -0.00002 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00001 0.00003 0.00000 0.00000 0.00000 176 2PX 0.00004 0.00001 -0.00001 0.00000 0.00000 177 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S -0.00006 -0.00023 -0.00003 0.00000 0.00000 180 3PX 0.00023 -0.00025 -0.00006 0.00000 0.00000 181 3PY 0.00006 -0.00003 0.00003 0.00000 0.00000 182 3PZ -0.00001 0.00000 0.00000 0.00014 0.00000 183 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 -0.00003 -0.00002 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00023 0.00007 -0.00002 -0.00002 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 -0.00002 0.00000 -0.00001 0.00000 199 2PX 0.00000 -0.00019 0.00001 -0.00008 0.00000 200 2PY 0.00002 0.00003 -0.00001 0.00000 0.00000 201 2PZ 0.00001 0.00004 0.00000 0.00000 0.00000 202 3S 0.00010 -0.00061 -0.00001 -0.00031 0.00000 203 3PX -0.00009 -0.00192 0.00002 -0.00066 0.00000 204 3PY 0.00028 0.00024 -0.00010 -0.00003 0.00000 205 3PZ 0.00007 0.00061 0.00000 -0.00021 0.00000 206 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00001 -0.00014 0.00001 -0.00013 0.00000 213 2S 0.00010 0.00417 -0.00003 0.00270 0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00001 0.00000 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00003 0.00068 13 4XY 0.00000 0.00000 0.00134 14 4XZ 0.00000 0.00000 0.00000 0.00063 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00105 16 2 H 1S -0.00059 -0.00018 0.00240 0.00156 0.00134 17 2S -0.00093 0.00044 0.00051 0.00023 0.00028 18 3 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 19 2S 0.00344 -0.00053 0.00000 0.00000 0.00000 20 2PX 0.00000 0.00000 0.00259 0.00000 0.00000 21 2PY 0.00225 -0.00130 0.00000 0.00000 0.00000 22 2PZ 0.00000 0.00000 0.00000 0.00000 0.00254 23 3S 0.00387 -0.00093 0.00000 0.00000 0.00000 24 3PX 0.00000 0.00000 0.00111 0.00000 0.00000 25 3PY 0.00100 -0.00091 0.00000 0.00000 0.00000 26 3PZ 0.00000 0.00000 0.00000 0.00000 0.00129 27 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 28 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 29 4ZZ -0.00005 0.00003 0.00000 0.00000 0.00000 30 4XY 0.00000 0.00000 -0.00024 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 33 4 H 1S 0.00002 0.00000 0.00006 0.00000 0.00003 34 2S -0.00013 0.00013 0.00026 0.00001 0.00014 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00000 0.00001 0.00000 0.00001 37 2PX 0.00001 0.00000 0.00001 0.00000 0.00002 38 2PY 0.00002 0.00000 0.00003 0.00000 0.00002 39 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 40 3S 0.00002 0.00004 0.00012 0.00001 0.00007 41 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 42 3PY 0.00007 -0.00005 0.00011 0.00000 0.00007 43 3PZ 0.00001 0.00000 0.00004 0.00000 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 -0.00001 -0.00005 -0.00001 -0.00002 56 3PX -0.00002 0.00003 -0.00003 0.00001 -0.00003 57 3PY 0.00001 0.00000 0.00001 0.00000 0.00000 58 3PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00000 0.00002 0.00000 0.00003 0.00000 70 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 72 3S 0.00000 0.00004 0.00000 0.00002 0.00000 73 3PX -0.00011 0.00024 0.00000 0.00012 0.00000 74 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 75 3PZ -0.00004 -0.00003 0.00000 0.00001 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 C 1S 0.00000 -0.00001 -0.00006 -0.00005 -0.00004 85 2S -0.00022 0.00015 0.00095 0.00075 0.00059 86 2PX -0.00012 0.00012 0.00057 0.00024 0.00091 87 2PY -0.00032 0.00005 0.00006 0.00084 0.00003 88 2PZ -0.00008 -0.00020 0.00092 0.00000 0.00007 89 3S -0.00060 0.00036 0.00050 0.00026 0.00028 90 3PX -0.00010 0.00048 0.00000 0.00000 0.00013 91 3PY 0.00009 -0.00008 -0.00012 0.00004 -0.00006 92 3PZ 0.00011 -0.00038 0.00017 0.00003 0.00001 93 4XX -0.00005 0.00000 -0.00003 0.00002 -0.00009 94 4YY 0.00002 -0.00002 0.00000 -0.00007 0.00000 95 4ZZ -0.00003 0.00000 -0.00009 0.00000 0.00000 96 4XY -0.00001 -0.00005 0.00003 0.00002 -0.00002 97 4XZ -0.00003 0.00000 -0.00001 0.00002 0.00000 98 4YZ -0.00001 0.00000 -0.00001 0.00001 0.00002 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 118 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 119 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 120 3PX 0.00013 0.00003 -0.00001 0.00000 0.00010 121 3PY 0.00039 0.00001 0.00008 -0.00004 0.00013 122 3PZ 0.00016 -0.00003 0.00010 0.00000 -0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00001 0.00001 0.00002 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21460 17 2S 0.10248 0.13803 18 3 C 1S 0.00000 0.00021 2.05488 19 2S -0.00021 -0.00301 -0.01440 0.33152 20 2PX -0.00008 -0.00129 0.00000 0.00000 0.38170 21 2PY -0.00064 -0.00717 0.00000 0.00000 0.00000 22 2PZ -0.00005 -0.00074 0.00000 0.00000 0.00000 23 3S -0.00364 -0.00559 -0.03683 0.26103 0.00000 24 3PX -0.00047 -0.00227 0.00000 0.00000 0.10319 25 3PY -0.00299 -0.00570 0.00000 0.00000 0.00000 26 3PZ -0.00032 -0.00117 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00014 -0.00131 -0.00375 0.00000 28 4YY 0.00002 -0.00013 -0.00144 -0.00045 0.00000 29 4ZZ 0.00000 0.00013 -0.00112 -0.00711 0.00000 30 4XY 0.00006 0.00026 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 32 4YZ 0.00003 0.00014 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00088 -0.00204 0.03246 0.04617 34 2S -0.00088 -0.00490 -0.00101 0.01109 0.02858 35 5 C 1S 0.00000 0.00000 0.00000 -0.00028 -0.00076 36 2S 0.00000 0.00009 -0.00026 0.00696 0.01438 37 2PX 0.00000 0.00013 -0.00074 0.01363 0.00912 38 2PY 0.00000 0.00016 -0.00042 0.00696 0.01360 39 2PZ 0.00000 0.00008 -0.00046 0.00858 0.01904 40 3S 0.00009 0.00128 0.00016 0.00574 0.01506 41 3PX 0.00006 0.00064 0.00028 0.00011 0.00009 42 3PY 0.00003 0.00037 -0.00011 0.00418 0.00615 43 3PZ 0.00003 0.00038 0.00011 0.00086 0.00419 44 4XX 0.00000 0.00000 -0.00002 0.00039 -0.00075 45 4YY 0.00000 -0.00001 0.00000 -0.00024 -0.00016 46 4ZZ 0.00000 0.00000 -0.00001 0.00017 0.00043 47 4XY 0.00000 0.00001 -0.00009 0.00148 0.00085 48 4XZ 0.00000 0.00000 -0.00005 0.00075 0.00018 49 4YZ 0.00000 0.00000 -0.00005 0.00081 0.00153 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 -0.00001 0.00000 -0.00006 -0.00018 52 2PX 0.00000 0.00000 0.00000 -0.00019 -0.00031 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 -0.00001 0.00000 -0.00009 -0.00028 55 3S 0.00000 -0.00040 0.00012 -0.00277 -0.00533 56 3PX 0.00000 -0.00007 0.00014 -0.00282 -0.00305 57 3PY 0.00000 -0.00006 0.00000 0.00001 0.00006 58 3PZ -0.00001 -0.00016 0.00005 -0.00098 -0.00217 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00002 0.00000 0.00012 0.00028 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00010 0.00000 0.00000 -0.00001 69 2PX 0.00000 0.00027 0.00000 -0.00001 0.00000 70 2PY 0.00000 0.00002 0.00000 0.00000 -0.00001 71 2PZ 0.00000 0.00012 0.00000 0.00000 -0.00002 72 3S 0.00008 0.00239 0.00000 0.00019 -0.00009 73 3PX 0.00015 0.00252 0.00002 -0.00045 0.00026 74 3PY 0.00002 0.00011 0.00000 0.00008 0.00028 75 3PZ 0.00006 0.00098 0.00000 0.00000 -0.00004 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 -0.00015 0.00000 -0.00001 0.00000 84 10 C 1S 0.00000 0.00025 0.00000 0.00000 0.00000 85 2S -0.00015 -0.00356 0.00000 -0.00006 -0.00003 86 2PX -0.00040 -0.00611 0.00000 -0.00006 -0.00003 87 2PY -0.00002 0.00010 0.00000 -0.00017 -0.00007 88 2PZ -0.00023 -0.00341 0.00000 -0.00004 0.00001 89 3S -0.00262 -0.01062 0.00001 -0.00077 -0.00109 90 3PX -0.00034 -0.00070 0.00002 -0.00052 0.00005 91 3PY -0.00053 -0.00115 -0.00014 0.00147 -0.00052 92 3PZ -0.00078 -0.00206 0.00000 -0.00015 -0.00032 93 4XX 0.00005 0.00055 0.00000 0.00000 0.00000 94 4YY -0.00001 -0.00022 0.00000 0.00002 0.00000 95 4ZZ 0.00002 0.00025 0.00000 0.00000 0.00001 96 4XY 0.00000 -0.00005 0.00000 0.00000 -0.00001 97 4XZ 0.00004 0.00011 0.00000 0.00000 0.00000 98 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00002 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 101 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00002 102 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00006 103 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00004 104 3S 0.00000 -0.00001 0.00000 -0.00007 0.00025 105 3PX 0.00000 -0.00002 0.00005 -0.00141 -0.00002 106 3PY 0.00000 -0.00003 0.00004 -0.00089 -0.00052 107 3PZ 0.00000 -0.00001 0.00004 -0.00100 -0.00084 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 12 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 115 2S 0.00000 0.00015 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00062 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00021 0.00000 0.00000 0.00000 119 3S -0.00019 0.00035 0.00000 0.00000 0.00000 120 3PX -0.00012 0.00337 0.00000 0.00000 0.00000 121 3PY -0.00022 -0.00281 0.00000 0.00002 0.00001 122 3PZ -0.00015 0.00141 0.00000 0.00000 -0.00001 123 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00011 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00004 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.00001 -0.00003 135 3PX 0.00000 0.00000 0.00000 -0.00001 -0.00004 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00001 0.00000 0.00000 0.00000 180 3PX 0.00000 -0.00002 0.00000 0.00000 -0.00002 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 182 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00001 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00001 0.00000 -0.00001 -0.00008 203 3PX 0.00000 0.00002 0.00000 -0.00006 -0.00040 204 3PY 0.00000 -0.00002 0.00000 0.00001 0.00002 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00009 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 213 2S 0.00000 0.00002 0.00002 -0.00022 0.00099 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.44170 22 2PZ 0.00000 0.35287 23 3S 0.00000 0.00000 0.46783 24 3PX 0.00000 0.00000 0.00000 0.10016 25 3PY 0.06741 0.00000 0.00000 0.00000 0.06109 26 3PZ 0.00000 0.11080 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00144 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00274 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00441 0.00000 0.00000 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02883 0.02486 0.04349 0.02302 0.00944 34 2S 0.01534 0.01536 0.00533 0.02216 0.00724 35 5 C 1S -0.00045 -0.00046 0.00103 0.00037 -0.00110 36 2S 0.00897 0.00861 -0.00201 0.00303 0.00723 37 2PX 0.01375 0.01859 0.02005 -0.00063 0.00994 38 2PY 0.00173 0.00891 0.01407 0.01020 0.00167 39 2PZ 0.00898 0.00070 0.01069 0.01032 0.00653 40 3S 0.00832 0.00942 -0.00943 0.00506 0.00483 41 3PX 0.00257 0.00334 -0.00072 0.00056 0.00145 42 3PY 0.00194 0.00427 -0.00327 0.00115 0.00058 43 3PZ 0.00138 0.00111 -0.00416 0.00233 0.00197 44 4XX 0.00065 0.00048 0.00128 -0.00061 -0.00002 45 4YY -0.00042 -0.00017 -0.00107 -0.00037 -0.00025 46 4ZZ 0.00043 -0.00027 0.00179 0.00153 -0.00010 47 4XY 0.00028 0.00167 0.00161 0.00000 0.00000 48 4XZ 0.00080 -0.00004 0.00040 0.00000 0.00009 49 4YZ 0.00013 0.00005 0.00096 0.00044 0.00001 50 6 C 1S 0.00000 0.00000 0.00008 0.00008 0.00000 51 2S 0.00000 -0.00009 -0.00231 -0.00192 -0.00002 52 2PX 0.00000 -0.00032 -0.00477 -0.00208 -0.00007 53 2PY -0.00002 0.00000 0.00002 0.00002 -0.00038 54 2PZ 0.00000 -0.00005 -0.00220 -0.00270 -0.00003 55 3S -0.00003 -0.00217 -0.02289 -0.01093 -0.00001 56 3PX -0.00002 -0.00330 -0.01182 -0.00290 -0.00013 57 3PY -0.00033 0.00002 -0.00002 0.00010 -0.00259 58 3PZ -0.00001 -0.00026 -0.00362 -0.00347 -0.00005 59 4XX 0.00000 0.00002 0.00005 0.00004 0.00000 60 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 61 4ZZ 0.00000 0.00000 0.00013 0.00025 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 63 4XZ 0.00000 0.00001 0.00002 0.00010 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 65 7 H 1S 0.00000 0.00000 0.00008 0.00013 0.00002 66 2S 0.00003 0.00012 0.00230 0.00225 0.00018 67 8 C 1S 0.00000 0.00000 0.00001 0.00003 0.00001 68 2S 0.00000 0.00000 0.00005 -0.00042 0.00005 69 2PX -0.00001 -0.00003 -0.00058 0.00017 0.00015 70 2PY 0.00000 -0.00001 -0.00009 -0.00011 -0.00007 71 2PZ 0.00000 0.00001 0.00006 -0.00029 -0.00005 72 3S -0.00014 0.00010 0.00508 -0.00192 0.00245 73 3PX -0.00021 -0.00064 -0.00340 0.00053 0.00013 74 3PY -0.00009 -0.00015 0.00268 0.00066 0.00002 75 3PZ -0.00015 0.00018 0.00004 -0.00038 -0.00039 76 4XX 0.00000 0.00000 -0.00003 -0.00001 -0.00002 77 4YY 0.00000 0.00000 0.00000 -0.00001 0.00001 78 4ZZ 0.00000 0.00000 0.00001 0.00002 0.00000 79 4XY 0.00000 0.00000 -0.00004 -0.00002 0.00001 80 4XZ 0.00000 0.00000 0.00000 0.00001 -0.00001 81 4YZ 0.00000 0.00000 -0.00002 -0.00002 0.00001 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 83 2S 0.00000 -0.00002 -0.00029 0.00002 -0.00007 84 10 C 1S 0.00000 0.00000 -0.00007 -0.00004 0.00000 85 2S -0.00025 -0.00002 0.00003 0.00011 -0.00145 86 2PX -0.00015 0.00001 -0.00028 0.00002 -0.00029 87 2PY -0.00045 -0.00002 -0.00416 -0.00048 -0.00419 88 2PZ -0.00012 -0.00001 0.00007 0.00000 -0.00004 89 3S -0.00274 -0.00050 0.00036 -0.00114 -0.00446 90 3PX -0.00067 -0.00032 -0.00207 0.00062 0.00032 91 3PY 0.00256 0.00000 0.00433 -0.00028 0.00251 92 3PZ -0.00029 0.00013 0.00025 -0.00065 0.00102 93 4XX -0.00001 0.00001 -0.00010 -0.00009 -0.00012 94 4YY 0.00009 0.00000 0.00024 -0.00003 0.00040 95 4ZZ -0.00001 0.00000 -0.00015 0.00013 -0.00019 96 4XY 0.00001 0.00002 -0.00017 0.00000 -0.00024 97 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 98 4YZ 0.00001 0.00000 -0.00008 0.00010 -0.00016 99 11 O 1S 0.00000 0.00000 0.00002 -0.00003 0.00000 100 2S -0.00006 -0.00001 -0.00076 0.00021 0.00063 101 2PX -0.00012 -0.00004 -0.00284 0.00007 0.00098 102 2PY -0.00017 -0.00005 -0.00354 -0.00221 0.00173 103 2PZ -0.00010 0.00000 -0.00261 -0.00075 0.00113 104 3S -0.00226 0.00010 0.00043 0.00269 -0.00204 105 3PX -0.00226 -0.00084 -0.01379 0.00084 0.00263 106 3PY -0.00288 -0.00064 -0.01265 -0.00525 0.00295 107 3PZ -0.00196 0.00000 -0.01221 -0.00275 0.00292 108 4XX 0.00001 0.00000 0.00012 -0.00001 -0.00009 109 4YY 0.00002 0.00000 -0.00054 -0.00033 0.00039 110 4ZZ 0.00001 0.00000 0.00002 0.00003 0.00000 111 4XY 0.00001 0.00001 -0.00013 -0.00001 0.00013 112 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 113 4YZ 0.00001 0.00000 -0.00017 -0.00001 0.00015 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00001 0.00000 0.00003 116 2PX 0.00000 0.00000 0.00003 0.00000 0.00010 117 2PY 0.00000 0.00000 0.00009 0.00002 0.00018 118 2PZ 0.00000 0.00000 0.00003 -0.00001 0.00010 119 3S 0.00003 0.00000 0.00007 -0.00003 0.00035 120 3PX 0.00001 -0.00001 0.00043 -0.00007 0.00098 121 3PY 0.00007 0.00000 0.00104 0.00021 0.00146 122 3PZ 0.00002 0.00000 0.00037 -0.00014 0.00096 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00001 0.00003 0.00000 131 2PX 0.00000 0.00000 0.00004 0.00001 -0.00001 132 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 -0.00006 -0.00023 -0.00003 135 3PX 0.00000 0.00000 0.00023 -0.00025 -0.00006 136 3PY 0.00000 0.00000 0.00006 -0.00003 0.00003 137 3PZ 0.00000 0.00001 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00007 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 165 3PX 0.00000 0.00000 -0.00002 0.00002 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 -0.00002 -0.00003 0.00000 180 3PX 0.00000 0.00000 -0.00009 -0.00018 -0.00005 181 3PY 0.00000 0.00000 -0.00006 -0.00016 -0.00002 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00023 0.00007 -0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 -0.00002 -0.00003 -0.00002 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 199 2PX 0.00000 0.00000 0.00000 -0.00019 0.00001 200 2PY 0.00000 0.00000 0.00002 0.00003 -0.00001 201 2PZ 0.00000 0.00000 0.00001 0.00004 0.00000 202 3S 0.00000 -0.00003 0.00010 -0.00061 -0.00001 203 3PX 0.00000 -0.00011 -0.00009 -0.00192 0.00002 204 3PY 0.00000 0.00000 0.00028 0.00024 -0.00010 205 3PZ 0.00000 -0.00001 0.00007 0.00061 0.00000 206 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00001 -0.00014 0.00001 213 2S -0.00003 0.00074 0.00010 0.00417 -0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 26 27 28 29 30 26 3PZ 0.11851 27 4XX 0.00000 0.00077 28 4YY 0.00000 -0.00008 0.00077 29 4ZZ 0.00000 0.00014 -0.00003 0.00068 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00134 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.01267 0.00095 -0.00059 -0.00018 0.00240 34 2S 0.01167 0.00154 -0.00093 0.00044 0.00051 35 5 C 1S 0.00011 -0.00003 0.00000 -0.00001 -0.00006 36 2S 0.00221 0.00056 -0.00022 0.00015 0.00095 37 2PX 0.01012 -0.00045 -0.00012 0.00012 0.00057 38 2PY 0.00634 0.00054 -0.00032 0.00005 0.00006 39 2PZ -0.00047 0.00041 -0.00008 -0.00020 0.00092 40 3S 0.00407 0.00079 -0.00060 0.00036 0.00050 41 3PX 0.00292 -0.00031 -0.00010 0.00048 0.00000 42 3PY 0.00140 -0.00016 0.00009 -0.00008 -0.00012 43 3PZ 0.00309 0.00053 0.00011 -0.00038 0.00017 44 4XX 0.00116 0.00001 -0.00005 0.00000 -0.00003 45 4YY -0.00028 -0.00005 0.00002 -0.00002 0.00000 46 4ZZ -0.00054 0.00001 -0.00003 0.00000 -0.00009 47 4XY 0.00044 -0.00001 -0.00001 -0.00005 0.00003 48 4XZ 0.00003 0.00002 -0.00003 0.00000 -0.00001 49 4YZ 0.00002 -0.00003 -0.00001 0.00000 -0.00001 50 6 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 51 2S -0.00082 0.00001 0.00000 0.00000 0.00000 52 2PX -0.00275 0.00002 0.00000 0.00002 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ -0.00015 0.00003 0.00000 0.00000 0.00000 55 3S -0.00267 0.00015 0.00000 0.00004 0.00000 56 3PX -0.00558 0.00009 -0.00011 0.00024 0.00000 57 3PY 0.00003 0.00000 0.00000 0.00000 -0.00001 58 3PZ 0.00004 0.00023 -0.00004 -0.00003 0.00000 59 4XX 0.00017 0.00000 0.00000 0.00000 0.00000 60 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 66 2S 0.00080 -0.00001 0.00000 0.00000 0.00000 67 8 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 68 2S -0.00012 0.00000 0.00000 0.00000 0.00000 69 2PX -0.00079 0.00000 0.00000 0.00000 0.00000 70 2PY -0.00021 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00022 0.00000 0.00000 0.00000 0.00000 72 3S -0.00041 0.00000 0.00000 -0.00001 -0.00005 73 3PX -0.00245 -0.00001 -0.00002 0.00003 -0.00003 74 3PY -0.00080 -0.00002 0.00001 0.00000 0.00001 75 3PZ 0.00022 0.00003 0.00000 -0.00001 -0.00003 76 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 79 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00019 0.00000 0.00000 0.00000 0.00000 84 10 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 85 2S -0.00006 0.00000 0.00000 0.00000 0.00001 86 2PX -0.00007 0.00000 0.00001 0.00000 0.00001 87 2PY -0.00013 0.00000 0.00002 0.00000 0.00003 88 2PZ 0.00000 0.00000 0.00001 0.00000 0.00002 89 3S -0.00035 0.00004 0.00002 0.00004 0.00012 90 3PX -0.00080 0.00002 0.00000 0.00002 0.00000 91 3PY 0.00031 -0.00010 0.00007 -0.00005 0.00011 92 3PZ -0.00016 0.00002 0.00001 0.00000 0.00004 93 4XX 0.00015 0.00000 0.00000 0.00000 0.00000 94 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 95 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00012 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 99 11 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 100 2S 0.00008 0.00000 0.00000 0.00000 0.00000 101 2PX -0.00041 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00170 0.00000 0.00002 0.00000 0.00001 103 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 104 3S 0.00171 0.00000 0.00006 -0.00001 0.00000 105 3PX -0.00182 -0.00002 0.00013 0.00003 -0.00001 106 3PY -0.00440 -0.00011 0.00039 0.00001 0.00008 107 3PZ -0.00006 0.00002 0.00016 -0.00003 0.00010 108 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00022 0.00000 0.00000 0.00000 0.00000 110 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00001 0.00000 0.00000 0.00000 0.00000 116 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 117 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00000 0.00000 0.00000 0.00000 120 3PX -0.00018 0.00000 0.00000 0.00000 0.00000 121 3PY -0.00008 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00014 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00005 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 0.00000 0.00000 0.00000 0.00000 199 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00031 0.00000 0.00000 0.00000 0.00000 203 3PX -0.00066 0.00000 0.00000 0.00000 0.00000 204 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 205 3PZ -0.00021 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00013 0.00000 0.00000 0.00000 0.00000 213 2S 0.00270 0.00003 -0.00001 -0.00001 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4XZ 0.00063 32 4YZ 0.00000 0.00105 33 4 H 1S 0.00156 0.00134 0.21460 34 2S 0.00023 0.00028 0.10248 0.13803 35 5 C 1S -0.00005 -0.00004 0.00000 0.00025 2.05381 36 2S 0.00075 0.00059 -0.00015 -0.00356 -0.01557 37 2PX 0.00024 0.00091 -0.00040 -0.00611 0.00000 38 2PY 0.00084 0.00003 -0.00002 0.00010 0.00000 39 2PZ 0.00000 0.00007 -0.00023 -0.00341 0.00000 40 3S 0.00026 0.00028 -0.00262 -0.01062 -0.02761 41 3PX 0.00000 0.00013 -0.00034 -0.00070 0.00000 42 3PY 0.00004 -0.00006 -0.00053 -0.00115 0.00000 43 3PZ 0.00003 0.00001 -0.00078 -0.00206 0.00000 44 4XX 0.00002 -0.00009 0.00005 0.00055 -0.00100 45 4YY -0.00007 0.00000 -0.00001 -0.00022 -0.00121 46 4ZZ 0.00000 0.00000 0.00002 0.00025 -0.00087 47 4XY 0.00002 -0.00002 0.00000 -0.00005 0.00000 48 4XZ 0.00002 0.00000 0.00004 0.00011 0.00000 49 4YZ 0.00001 0.00002 0.00000 -0.00003 0.00000 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00010 -0.00029 52 2PX 0.00003 0.00000 0.00000 0.00027 -0.00095 53 2PY 0.00000 0.00000 0.00000 0.00002 -0.00044 54 2PZ 0.00001 0.00000 0.00000 0.00012 -0.00039 55 3S 0.00002 0.00000 0.00008 0.00239 0.00105 56 3PX 0.00012 0.00000 0.00015 0.00252 -0.00003 57 3PY 0.00000 -0.00002 0.00002 0.00011 -0.00095 58 3PZ 0.00001 0.00000 0.00006 0.00098 0.00021 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 63 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 64 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 -0.00015 0.00025 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 72 3S -0.00001 -0.00002 0.00000 -0.00040 -0.00004 73 3PX 0.00001 -0.00003 0.00000 -0.00007 -0.00003 74 3PY 0.00000 0.00000 0.00000 -0.00006 0.00002 75 3PZ 0.00000 -0.00001 -0.00001 -0.00016 -0.00002 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00002 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 0.00000 0.00009 0.00000 86 2PX 0.00000 0.00002 0.00000 0.00013 0.00000 87 2PY 0.00000 0.00002 0.00000 0.00016 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00008 0.00000 89 3S 0.00001 0.00007 0.00009 0.00128 0.00003 90 3PX 0.00000 0.00003 0.00006 0.00064 0.00000 91 3PY 0.00000 0.00007 0.00003 0.00037 0.00009 92 3PZ 0.00000 0.00000 0.00003 0.00038 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00000 0.00000 0.00015 -0.00015 101 2PX 0.00000 0.00001 0.00000 0.00058 -0.00002 102 2PY 0.00000 0.00001 0.00000 -0.00062 -0.00178 103 2PZ 0.00000 0.00000 0.00000 0.00021 -0.00001 104 3S 0.00000 -0.00001 -0.00019 0.00035 -0.00082 105 3PX 0.00000 0.00010 -0.00012 0.00337 -0.00006 106 3PY -0.00004 0.00013 -0.00022 -0.00281 -0.00832 107 3PZ 0.00000 -0.00001 -0.00015 0.00141 -0.00004 108 4XX 0.00000 0.00000 0.00000 0.00006 0.00001 109 4YY 0.00000 0.00000 0.00000 -0.00011 -0.00082 110 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00001 111 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00000 0.00000 -0.00002 0.00000 121 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 122 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 -0.00001 135 3PX 0.00000 0.00000 0.00000 -0.00002 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00001 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00002 0.00001 0.00000 0.00002 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.35855 37 2PX 0.00000 0.37725 38 2PY 0.00000 0.00000 0.42606 39 2PZ 0.00000 0.00000 0.00000 0.32857 40 3S 0.20695 0.00000 0.00000 0.00000 0.22567 41 3PX 0.00000 0.04912 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 -0.00339 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.07015 0.00000 44 4XX -0.00848 0.00000 0.00000 0.00000 -0.00375 45 4YY -0.00258 0.00000 0.00000 0.00000 -0.00438 46 4ZZ -0.01095 0.00000 0.00000 0.00000 -0.00507 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S -0.00030 -0.00096 -0.00040 -0.00034 0.00070 51 2S 0.00764 0.01695 0.00625 0.00584 0.00185 52 2PX 0.01776 0.01474 0.01621 0.01807 0.01814 53 2PY 0.00871 0.01683 0.00097 0.00523 0.00737 54 2PZ 0.00731 0.01832 0.00560 -0.00004 0.00700 55 3S -0.00077 0.02627 0.01340 0.00962 -0.02522 56 3PX 0.00664 0.00133 0.01072 0.01189 0.00893 57 3PY 0.00697 0.01031 0.00177 0.00288 0.00480 58 3PZ 0.00125 0.00941 0.00477 -0.00051 0.00046 59 4XX 0.00095 -0.00034 0.00079 0.00058 0.00154 60 4YY -0.00028 -0.00029 -0.00028 -0.00009 -0.00061 61 4ZZ -0.00013 -0.00025 -0.00016 -0.00011 -0.00023 62 4XY 0.00107 0.00086 0.00001 0.00074 0.00041 63 4XZ 0.00070 0.00043 0.00074 -0.00001 0.00022 64 4YZ 0.00042 0.00083 0.00001 0.00000 0.00025 65 7 H 1S -0.00017 -0.00043 -0.00002 -0.00020 -0.00293 66 2S -0.00376 -0.00566 0.00009 -0.00302 -0.00994 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 68 2S -0.00005 -0.00006 -0.00014 -0.00003 -0.00055 69 2PX -0.00003 -0.00002 -0.00001 0.00002 -0.00023 70 2PY -0.00021 -0.00020 -0.00036 -0.00002 -0.00283 71 2PZ -0.00001 -0.00002 -0.00004 0.00000 -0.00060 72 3S -0.00017 -0.00059 -0.00337 -0.00055 0.00209 73 3PX -0.00011 -0.00003 0.00000 -0.00010 0.00100 74 3PY -0.00160 -0.00097 -0.00428 -0.00019 -0.00413 75 3PZ 0.00013 -0.00009 -0.00018 0.00024 -0.00083 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 77 4YY 0.00000 0.00001 0.00001 0.00000 -0.00002 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 79 4XY 0.00001 0.00001 0.00003 0.00001 0.00009 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00001 0.00001 0.00000 0.00005 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 83 2S 0.00009 0.00013 0.00012 0.00005 0.00107 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 85 2S 0.00000 0.00000 -0.00002 0.00000 -0.00048 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY -0.00002 0.00000 -0.00006 0.00000 -0.00077 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00048 0.00000 -0.00077 0.00000 -0.00358 90 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 91 3PY -0.00129 0.00000 0.00057 0.00000 -0.00493 92 3PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 94 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S -0.00026 -0.00001 -0.00198 -0.00001 0.00154 100 2S 0.00379 0.00021 0.02886 0.00018 -0.02282 101 2PX 0.00032 0.01235 0.00175 -0.00024 0.00041 102 2PY 0.04272 0.00169 0.10300 0.00136 0.02216 103 2PZ 0.00021 -0.00024 0.00131 0.01971 0.00015 104 3S -0.01267 -0.00005 0.00881 -0.00016 -0.07513 105 3PX 0.00042 0.02139 0.00150 -0.00027 0.00089 106 3PY 0.06356 0.00139 0.05542 0.00115 0.04105 107 3PZ 0.00030 -0.00027 0.00119 0.03788 0.00029 108 4XX -0.00068 0.00002 -0.00094 0.00000 -0.00045 109 4YY 0.00785 0.00032 0.00968 0.00026 0.00588 110 4ZZ -0.00066 -0.00001 -0.00086 0.00001 -0.00056 111 4XY 0.00010 0.00381 0.00028 -0.00002 0.00004 112 4XZ 0.00000 0.00002 0.00001 0.00004 0.00000 113 4YZ 0.00006 -0.00002 0.00019 0.00454 0.00002 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 130 2S 0.00000 -0.00001 0.00000 0.00000 -0.00019 131 2PX -0.00002 -0.00002 0.00000 0.00002 -0.00015 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00006 134 3S 0.00000 -0.00070 -0.00004 -0.00023 0.00028 135 3PX -0.00057 0.00093 -0.00010 0.00060 -0.00030 136 3PY -0.00001 -0.00001 -0.00002 0.00000 -0.00001 137 3PZ -0.00011 -0.00009 0.00000 -0.00008 0.00009 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 140 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00001 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00000 -0.00009 150 3PX -0.00002 -0.00004 0.00000 0.00000 0.00011 151 3PY 0.00000 0.00001 0.00000 0.00000 0.00002 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00003 165 3PX 0.00001 0.00000 0.00001 0.00000 0.00012 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00005 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00001 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 -0.00002 0.00000 0.00000 0.00006 180 3PX 0.00003 0.00000 0.00005 -0.00002 0.00023 181 3PY -0.00001 -0.00004 -0.00002 0.00000 0.00003 182 3PZ 0.00001 0.00001 0.00000 0.00000 -0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00002 190 2S -0.00016 -0.00012 -0.00004 0.00009 0.00016 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00001 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00002 -0.00003 0.00004 -0.00006 0.00003 203 3PX -0.00014 -0.00028 -0.00011 -0.00018 -0.00004 204 3PY -0.00007 -0.00016 0.00000 0.00007 -0.00062 205 3PZ -0.00003 0.00005 -0.00001 0.00004 -0.00037 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00014 0.00010 -0.00007 0.00012 -0.00040 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 41 42 43 44 45 41 3PX 0.04066 42 3PY 0.00000 0.03597 43 3PZ 0.00000 0.00000 0.06508 44 4XX 0.00000 0.00000 0.00000 0.00216 45 4YY 0.00000 0.00000 0.00000 -0.00040 0.00226 46 4ZZ 0.00000 0.00000 0.00000 0.00032 -0.00023 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 C 1S 0.00069 0.00068 0.00029 -0.00005 0.00001 51 2S 0.00078 0.00064 -0.00087 0.00081 -0.00028 52 2PX -0.00001 0.00682 0.00427 -0.00088 -0.00017 53 2PY 0.00242 0.00261 0.00047 0.00125 -0.00037 54 2PZ 0.00399 0.00203 0.00266 0.00086 -0.00023 55 3S -0.00638 -0.00974 -0.00174 0.00376 -0.00170 56 3PX 0.00087 0.00242 0.00422 -0.00081 -0.00007 57 3PY 0.00273 0.00198 -0.00027 0.00036 -0.00034 58 3PZ 0.00157 -0.00091 0.00296 0.00165 -0.00063 59 4XX -0.00033 0.00037 0.00060 -0.00001 -0.00005 60 4YY 0.00015 0.00012 -0.00006 -0.00009 0.00002 61 4ZZ 0.00028 -0.00043 -0.00030 0.00002 -0.00002 62 4XY 0.00002 -0.00008 0.00009 -0.00002 0.00000 63 4XZ 0.00001 0.00003 0.00007 0.00001 -0.00005 64 4YZ 0.00014 -0.00007 0.00004 -0.00006 0.00000 65 7 H 1S -0.00144 -0.00055 -0.00034 0.00003 -0.00001 66 2S -0.00332 -0.00101 0.00008 0.00022 -0.00019 67 8 C 1S 0.00000 -0.00017 0.00002 0.00000 0.00000 68 2S -0.00034 0.00142 -0.00029 0.00000 0.00002 69 2PX -0.00006 0.00082 -0.00013 -0.00001 0.00001 70 2PY -0.00055 0.00202 -0.00005 -0.00002 0.00008 71 2PZ -0.00034 -0.00029 0.00019 0.00000 0.00000 72 3S -0.00067 0.00590 -0.00168 -0.00011 0.00025 73 3PX 0.00044 0.00235 -0.00059 -0.00012 0.00006 74 3PY 0.00111 0.00295 0.00033 -0.00044 0.00055 75 3PZ -0.00043 -0.00031 0.00073 0.00008 -0.00005 76 4XX 0.00000 -0.00003 0.00002 0.00000 0.00000 77 4YY 0.00000 0.00003 0.00000 0.00000 0.00000 78 4ZZ 0.00004 -0.00008 0.00001 0.00000 0.00000 79 4XY 0.00000 0.00009 0.00003 0.00000 0.00000 80 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 81 4YZ 0.00003 0.00002 0.00001 0.00000 0.00000 82 9 H 1S 0.00007 0.00000 0.00002 0.00000 0.00000 83 2S 0.00067 -0.00001 0.00023 0.00000 -0.00001 84 10 C 1S 0.00000 0.00009 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00129 0.00000 0.00000 0.00000 86 2PX -0.00014 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00057 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 -0.00008 0.00000 0.00000 89 3S 0.00000 -0.00493 0.00000 0.00001 -0.00002 90 3PX 0.00023 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 -0.00137 0.00000 0.00001 0.00010 92 3PZ 0.00000 0.00000 0.00013 0.00000 0.00000 93 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00010 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 96 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 99 11 O 1S 0.00000 0.00027 0.00000 0.00001 -0.00074 100 2S -0.00005 -0.01433 0.00001 -0.00067 0.00815 101 2PX 0.01758 -0.00030 -0.00007 0.00010 0.00029 102 2PY 0.00008 -0.00467 0.00021 -0.00145 0.00257 103 2PZ -0.00007 -0.00011 0.02349 -0.00001 0.00015 104 3S -0.00022 -0.02238 -0.00022 -0.00255 0.01163 105 3PX 0.03941 -0.00053 -0.00010 -0.00008 0.00025 106 3PY 0.00013 -0.00172 0.00029 -0.00439 0.00160 107 3PZ -0.00010 -0.00020 0.05178 -0.00002 0.00013 108 4XX -0.00002 0.00121 0.00000 0.00007 -0.00013 109 4YY 0.00006 -0.00155 0.00008 -0.00024 -0.00002 110 4ZZ 0.00000 0.00106 -0.00002 0.00002 -0.00010 111 4XY 0.00121 -0.00001 -0.00001 0.00001 0.00003 112 4XZ 0.00001 0.00000 0.00002 0.00000 0.00000 113 4YZ -0.00001 0.00000 0.00169 0.00000 0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00006 0.00000 0.00000 0.00000 120 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 -0.00014 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 130 2S -0.00059 -0.00007 -0.00009 0.00000 0.00000 131 2PX -0.00010 -0.00020 0.00015 0.00001 0.00000 132 2PY -0.00004 -0.00002 -0.00001 0.00000 0.00000 133 2PZ 0.00011 0.00004 -0.00001 0.00000 0.00000 134 3S -0.00303 -0.00007 -0.00102 0.00002 0.00000 135 3PX 0.00162 -0.00036 0.00123 0.00025 -0.00004 136 3PY -0.00016 0.00034 0.00002 0.00001 0.00000 137 3PZ 0.00015 0.00005 0.00000 0.00008 -0.00001 138 4XX 0.00010 0.00000 0.00004 0.00000 0.00000 139 4YY -0.00002 0.00000 -0.00001 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00001 0.00000 0.00000 0.00000 146 2PX -0.00001 0.00002 0.00000 0.00000 0.00000 147 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00020 -0.00001 -0.00001 0.00000 0.00000 150 3PX -0.00010 0.00012 0.00000 0.00000 0.00000 151 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 152 3PZ 0.00001 0.00000 0.00013 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00004 0.00012 0.00000 0.00000 0.00000 166 3PY 0.00005 0.00001 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2PX 0.00002 0.00001 -0.00002 0.00000 0.00000 177 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 178 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 179 3S -0.00013 0.00008 -0.00001 0.00000 0.00000 180 3PX 0.00004 0.00010 -0.00014 0.00000 0.00000 181 3PY -0.00006 0.00004 -0.00005 0.00000 0.00000 182 3PZ -0.00001 -0.00003 0.00004 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S -0.00027 0.00006 -0.00008 0.00000 0.00000 190 2S 0.00098 -0.00007 0.00012 -0.00005 0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00002 0.00000 -0.00001 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00001 0.00002 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00002 -0.00004 -0.00007 0.00000 0.00000 199 2PX -0.00002 -0.00011 -0.00006 0.00000 0.00000 200 2PY -0.00011 -0.00008 0.00003 0.00000 0.00000 201 2PZ -0.00001 -0.00011 -0.00003 0.00000 0.00000 202 3S 0.00002 -0.00026 -0.00021 0.00000 0.00000 203 3PX -0.00053 -0.00024 -0.00060 0.00001 0.00001 204 3PY -0.00045 -0.00012 0.00017 0.00000 0.00000 205 3PZ 0.00012 -0.00058 0.00006 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00008 -0.00004 0.00000 0.00000 213 2S 0.00032 -0.00047 0.00056 -0.00003 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00001 0.00002 0.00005 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00175 47 4XY 0.00000 0.00399 48 4XZ 0.00000 0.00000 0.00058 49 4YZ 0.00000 0.00000 0.00000 0.00308 50 6 C 1S 0.00000 -0.00010 -0.00004 -0.00004 2.05570 51 2S -0.00007 0.00143 0.00061 0.00065 -0.01298 52 2PX -0.00006 0.00117 0.00029 0.00154 0.00000 53 2PY 0.00013 0.00016 0.00061 0.00007 0.00000 54 2PZ -0.00015 0.00140 -0.00005 -0.00001 0.00000 55 3S 0.00025 0.00182 0.00027 0.00071 -0.04328 56 3PX 0.00085 0.00006 0.00002 0.00050 0.00000 57 3PY -0.00023 0.00003 0.00006 0.00003 0.00000 58 3PZ -0.00043 0.00045 0.00017 0.00012 0.00000 59 4XX -0.00002 -0.00001 0.00000 -0.00004 -0.00106 60 4YY -0.00002 -0.00001 -0.00004 0.00000 -0.00130 61 4ZZ 0.00001 -0.00006 0.00000 0.00000 -0.00118 62 4XY -0.00007 0.00003 -0.00001 -0.00001 0.00000 63 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 64 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 65 7 H 1S 0.00004 -0.00001 0.00006 0.00000 -0.00206 66 2S 0.00057 -0.00006 0.00020 -0.00003 -0.00110 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 -0.00051 69 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 70 2PY 0.00000 0.00001 0.00000 0.00001 -0.00252 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00010 -0.00016 -0.00002 -0.00010 0.00178 73 3PX 0.00006 0.00000 0.00000 0.00009 0.00000 74 3PY -0.00002 -0.00028 -0.00001 -0.00007 0.00038 75 3PZ -0.00002 0.00002 0.00000 0.00005 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00000 -0.00024 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00001 0.00000 0.00000 0.00020 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00002 0.00000 0.00000 0.00000 -0.00002 90 3PX 0.00000 -0.00004 0.00000 0.00000 0.00000 91 3PY 0.00002 0.00000 0.00000 0.00000 -0.00017 92 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00002 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 -0.00002 0.00000 -0.00001 0.00000 100 2S -0.00056 0.00017 0.00001 0.00009 0.00000 101 2PX 0.00000 0.00738 0.00003 0.00006 0.00000 102 2PY -0.00134 0.00036 0.00002 0.00015 0.00000 103 2PZ 0.00004 0.00006 0.00004 0.00633 0.00000 104 3S -0.00197 0.00007 0.00001 0.00004 0.00002 105 3PX 0.00004 0.00801 0.00003 0.00003 0.00007 106 3PY -0.00407 0.00009 0.00001 0.00003 0.00004 107 3PZ -0.00003 0.00003 0.00004 0.00667 0.00002 108 4XX 0.00002 0.00001 0.00000 0.00000 0.00000 109 4YY -0.00025 0.00004 0.00000 0.00002 0.00000 110 4ZZ 0.00006 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00061 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00001 0.00000 0.00001 0.00064 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00001 0.00001 0.00000 0.00017 135 3PX -0.00009 0.00001 0.00005 0.00001 0.00004 136 3PY 0.00000 -0.00002 0.00000 0.00000 0.00003 137 3PZ -0.00001 0.00000 -0.00001 0.00000 0.00007 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00001 0.00004 0.00000 0.00000 0.00002 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 -0.00001 0.00000 0.00000 0.00002 203 3PX -0.00001 0.00000 0.00001 0.00000 0.00001 204 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 205 3PZ 0.00001 0.00001 0.00000 0.00001 0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00005 0.00001 0.00000 0.00002 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.31847 52 2PX 0.00000 0.36791 53 2PY 0.00000 0.00000 0.42070 54 2PZ 0.00000 0.00000 0.00000 0.37981 55 3S 0.27774 0.00000 0.00000 0.00000 0.55077 56 3PX 0.00000 0.11493 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.07352 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.11624 0.00000 59 4XX -0.00669 0.00000 0.00000 0.00000 -0.00521 60 4YY -0.00140 0.00000 0.00000 0.00000 -0.00388 61 4ZZ -0.00397 0.00000 0.00000 0.00000 -0.00231 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.03267 0.01949 0.02495 0.05560 0.04489 66 2S 0.01289 0.01236 0.01318 0.03319 0.00299 67 8 C 1S -0.00051 0.00000 -0.00252 0.00000 0.00178 68 2S 0.01094 0.00000 0.03887 0.00000 -0.00336 69 2PX 0.00000 0.01207 0.00000 0.00000 0.00000 70 2PY 0.03887 0.00000 0.09866 0.00000 0.03299 71 2PZ 0.00000 0.00000 0.00000 0.00953 0.00000 72 3S -0.00336 0.00000 0.03299 0.00000 -0.09801 73 3PX 0.00000 0.01766 0.00000 0.00000 0.00000 74 3PY 0.00776 0.00000 0.02184 0.00000 -0.02984 75 3PZ 0.00000 0.00000 0.00000 0.01430 0.00000 76 4XX -0.00046 0.00000 -0.00107 0.00000 -0.00120 77 4YY 0.00319 0.00000 0.00242 0.00000 0.00425 78 4ZZ -0.00042 0.00000 -0.00117 0.00000 -0.00094 79 4XY 0.00000 0.00193 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00204 0.00000 82 9 H 1S -0.00017 -0.00003 -0.00052 -0.00008 -0.00319 83 2S -0.00288 -0.00061 -0.00607 -0.00104 -0.00518 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 85 2S -0.00005 -0.00003 -0.00021 -0.00001 -0.00017 86 2PX -0.00006 -0.00002 -0.00020 -0.00002 -0.00059 87 2PY -0.00014 -0.00001 -0.00036 -0.00004 -0.00337 88 2PZ -0.00003 0.00002 -0.00002 0.00000 -0.00055 89 3S -0.00055 -0.00023 -0.00283 -0.00060 0.00209 90 3PX -0.00034 -0.00006 -0.00055 -0.00034 -0.00067 91 3PY 0.00142 0.00082 0.00202 -0.00029 0.00590 92 3PZ -0.00029 -0.00013 -0.00005 0.00019 -0.00168 93 4XX 0.00000 -0.00001 -0.00002 0.00000 -0.00011 94 4YY 0.00002 0.00001 0.00008 0.00000 0.00025 95 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00010 96 4XY 0.00000 0.00000 0.00001 0.00000 -0.00016 97 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 98 4YZ 0.00000 0.00001 0.00001 0.00000 -0.00010 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S -0.00001 -0.00001 -0.00005 0.00000 -0.00071 101 2PX -0.00005 -0.00004 -0.00015 -0.00004 -0.00467 102 2PY -0.00003 -0.00007 -0.00012 -0.00002 -0.00287 103 2PZ -0.00002 -0.00004 -0.00004 0.00000 -0.00119 104 3S -0.00015 0.00019 -0.00205 0.00009 -0.00059 105 3PX -0.00163 -0.00043 -0.00320 -0.00088 -0.02240 106 3PY -0.00063 -0.00077 -0.00226 -0.00007 -0.00975 107 3PZ -0.00062 -0.00089 -0.00080 -0.00015 -0.00578 108 4XX 0.00000 0.00000 0.00002 0.00000 0.00006 109 4YY -0.00001 0.00000 0.00002 0.00000 -0.00041 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00010 111 4XY 0.00000 0.00001 0.00001 0.00001 -0.00028 112 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 113 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00005 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00001 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00004 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00006 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 3S 0.00000 0.00000 0.00002 0.00000 0.00008 120 3PX 0.00000 0.00000 0.00002 0.00000 0.00054 121 3PY 0.00001 0.00000 0.00005 0.00000 0.00065 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00019 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00014 130 2S -0.00015 0.00011 -0.00001 0.00016 0.00024 131 2PX 0.00009 0.00195 0.00012 0.00183 0.00128 132 2PY -0.00001 0.00010 -0.00003 0.00006 0.00037 133 2PZ 0.00012 0.00165 0.00009 0.00130 -0.00018 134 3S -0.00093 -0.00022 -0.00024 0.00109 -0.00098 135 3PX -0.00075 0.00504 0.00061 0.00833 0.00068 136 3PY 0.00011 -0.00031 0.00084 -0.00021 -0.00068 137 3PZ -0.00018 0.00687 0.00028 0.00254 -0.00350 138 4XX 0.00003 0.00003 0.00001 0.00008 0.00036 139 4YY -0.00001 -0.00002 0.00000 -0.00002 -0.00026 140 4ZZ 0.00000 0.00007 0.00000 0.00000 0.00002 141 4XY 0.00000 0.00001 0.00000 0.00001 0.00001 142 4XZ 0.00005 0.00014 0.00002 0.00007 0.00022 143 4YZ 0.00000 0.00001 0.00000 0.00001 -0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00003 0.00000 0.00000 -0.00028 146 2PX -0.00003 -0.00007 0.00000 0.00000 -0.00139 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00032 149 3S -0.00006 0.00051 0.00000 0.00014 0.00119 150 3PX -0.00113 -0.00031 0.00000 -0.00002 -0.00571 151 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 152 3PZ -0.00020 -0.00033 0.00000 0.00008 -0.00170 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00003 154 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 161 2PX 0.00000 -0.00004 0.00000 -0.00001 -0.00043 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00010 163 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00012 164 3S 0.00002 -0.00025 -0.00008 -0.00003 -0.00014 165 3PX -0.00036 -0.00221 -0.00004 -0.00037 -0.00280 166 3PY -0.00002 -0.00035 -0.00002 -0.00002 -0.00053 167 3PZ -0.00008 -0.00048 0.00006 0.00013 -0.00076 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 175 2S 0.00000 -0.00002 0.00000 -0.00001 -0.00051 176 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00037 177 2PY -0.00001 -0.00002 -0.00001 -0.00002 -0.00069 178 2PZ 0.00000 -0.00001 -0.00002 -0.00001 0.00024 179 3S -0.00010 -0.00037 0.00010 -0.00048 -0.00254 180 3PX -0.00013 -0.00065 -0.00079 -0.00108 -0.00112 181 3PY -0.00004 -0.00026 0.00053 -0.00021 -0.00153 182 3PZ -0.00007 -0.00037 -0.00040 -0.00009 0.00124 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00006 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 17 H 1S 0.00000 -0.00001 -0.00001 -0.00001 -0.00039 190 2S -0.00026 -0.00062 -0.00070 -0.00103 -0.00544 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00001 0.00006 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00002 0.00000 0.00000 -0.00006 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 196 2S 0.00001 -0.00001 0.00008 0.00000 0.00031 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 198 2S -0.00001 -0.00002 0.00000 -0.00005 -0.00057 199 2PX -0.00001 -0.00001 0.00000 -0.00003 -0.00022 200 2PY 0.00000 0.00001 0.00000 -0.00001 0.00041 201 2PZ -0.00003 -0.00005 -0.00001 -0.00011 -0.00091 202 3S -0.00045 -0.00026 -0.00021 -0.00080 -0.00191 203 3PX -0.00013 0.00000 0.00023 0.00012 -0.00068 204 3PY -0.00008 0.00014 -0.00002 -0.00033 0.00083 205 3PZ -0.00031 0.00048 -0.00026 0.00038 0.00015 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 207 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 208 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00003 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00001 0.00000 0.00002 0.00005 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 212 22 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00016 213 2S -0.00011 -0.00002 -0.00006 -0.00078 -0.00036 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 215 2S 0.00002 0.00007 0.00000 0.00013 0.00047 56 57 58 59 60 56 3PX 0.12665 57 3PY 0.00000 0.06783 58 3PZ 0.00000 0.00000 0.13016 59 4XX 0.00000 0.00000 0.00000 0.00095 60 4YY 0.00000 0.00000 0.00000 -0.00007 0.00091 61 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00006 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00948 0.00982 0.02975 -0.00078 -0.00080 66 2S 0.00938 0.00826 0.02860 -0.00055 -0.00116 67 8 C 1S 0.00000 0.00038 0.00000 0.00000 -0.00024 68 2S 0.00000 0.00776 0.00000 -0.00046 0.00319 69 2PX 0.01766 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 0.02184 0.00000 -0.00107 0.00242 71 2PZ 0.00000 0.00000 0.01430 0.00000 0.00000 72 3S 0.00000 -0.02984 0.00000 -0.00120 0.00425 73 3PX 0.02695 0.00000 0.00000 0.00000 0.00000 74 3PY 0.00000 0.00252 0.00000 -0.00090 0.00138 75 3PZ 0.00000 0.00000 0.02253 0.00000 0.00000 76 4XX 0.00000 -0.00090 0.00000 0.00003 -0.00005 77 4YY 0.00000 0.00138 0.00000 -0.00005 0.00002 78 4ZZ 0.00000 -0.00112 0.00000 0.00000 -0.00003 79 4XY 0.00114 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00118 0.00000 0.00000 82 9 H 1S -0.00004 -0.00297 -0.00079 0.00000 0.00002 83 2S -0.00092 -0.00469 -0.00235 0.00016 -0.00009 84 10 C 1S -0.00003 0.00002 -0.00002 0.00000 0.00000 85 2S -0.00011 -0.00160 0.00013 0.00000 0.00000 86 2PX -0.00003 -0.00097 -0.00009 0.00000 0.00001 87 2PY 0.00000 -0.00428 -0.00018 0.00000 0.00001 88 2PZ -0.00010 -0.00019 0.00024 0.00000 0.00000 89 3S 0.00100 -0.00413 -0.00083 0.00003 -0.00002 90 3PX 0.00044 0.00111 -0.00043 0.00000 0.00000 91 3PY 0.00235 0.00295 -0.00031 -0.00003 0.00003 92 3PZ -0.00059 0.00033 0.00073 0.00002 0.00000 93 4XX -0.00012 -0.00044 0.00008 0.00000 0.00000 94 4YY 0.00006 0.00055 -0.00005 0.00000 0.00000 95 4ZZ 0.00006 -0.00002 -0.00002 0.00000 0.00000 96 4XY 0.00000 -0.00028 0.00002 0.00000 0.00000 97 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 98 4YZ 0.00009 -0.00007 0.00005 0.00000 0.00000 99 11 O 1S -0.00004 0.00001 -0.00002 0.00000 0.00000 100 2S 0.00028 0.00041 0.00007 0.00000 0.00000 101 2PX -0.00023 0.00146 -0.00096 0.00000 0.00001 102 2PY -0.00241 0.00104 -0.00095 0.00000 0.00002 103 2PZ -0.00060 0.00035 -0.00043 0.00000 0.00000 104 3S 0.00309 -0.00252 0.00095 0.00001 0.00007 105 3PX -0.00013 0.00361 -0.00348 -0.00004 0.00030 106 3PY -0.00599 0.00141 -0.00220 -0.00003 0.00033 107 3PZ -0.00256 0.00110 -0.00259 0.00005 0.00004 108 4XX -0.00002 0.00006 0.00003 0.00000 0.00000 109 4YY -0.00034 0.00025 -0.00014 0.00000 0.00000 110 4ZZ 0.00004 -0.00005 -0.00001 0.00000 0.00000 111 4XY 0.00000 0.00021 -0.00004 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00002 0.00004 -0.00005 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00003 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00014 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00013 0.00000 0.00000 0.00000 118 2PZ -0.00001 0.00003 -0.00001 0.00000 0.00000 119 3S 0.00003 0.00035 -0.00002 0.00000 0.00000 120 3PX 0.00000 0.00151 -0.00003 0.00000 0.00000 121 3PY 0.00004 0.00112 0.00005 0.00000 0.00000 122 3PZ -0.00011 0.00030 -0.00010 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00005 0.00003 0.00002 0.00000 0.00000 130 2S -0.00060 -0.00054 0.00112 0.00002 0.00000 131 2PX 0.00479 -0.00010 0.00941 0.00001 -0.00001 132 2PY 0.00029 0.00052 0.00039 0.00001 0.00000 133 2PZ 0.00881 0.00047 0.00292 0.00007 -0.00001 134 3S -0.00125 -0.00129 0.00147 0.00025 -0.00006 135 3PX 0.00579 0.00022 0.01786 0.00018 -0.00015 136 3PY -0.00056 0.00207 -0.00080 0.00002 0.00000 137 3PZ 0.01481 0.00071 0.00177 0.00031 -0.00009 138 4XX 0.00028 0.00009 0.00040 0.00000 0.00000 139 4YY -0.00037 -0.00001 -0.00028 0.00000 0.00000 140 4ZZ 0.00042 -0.00001 0.00012 0.00000 0.00000 141 4XY 0.00001 0.00002 0.00003 0.00000 0.00000 142 4XZ 0.00024 0.00004 0.00014 -0.00001 0.00000 143 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00007 0.00000 0.00000 0.00000 0.00000 145 2S -0.00075 0.00000 -0.00013 0.00000 0.00000 146 2PX -0.00011 0.00000 -0.00036 0.00002 0.00000 147 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 148 2PZ -0.00007 0.00000 -0.00009 0.00000 0.00000 149 3S 0.00232 0.00000 0.00085 0.00001 0.00000 150 3PX 0.00027 0.00001 -0.00022 0.00031 -0.00005 151 3PY -0.00001 0.00024 0.00000 0.00000 0.00000 152 3PZ -0.00090 0.00000 0.00057 0.00009 -0.00001 153 4XX 0.00031 0.00000 0.00010 0.00000 0.00000 154 4YY -0.00006 0.00000 -0.00001 0.00000 0.00000 155 4ZZ -0.00013 0.00000 -0.00002 0.00000 0.00000 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00006 0.00000 -0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00018 0.00000 -0.00002 0.00000 0.00000 161 2PX -0.00189 0.00025 -0.00037 0.00000 0.00000 162 2PY -0.00009 0.00001 -0.00004 0.00000 0.00000 163 2PZ -0.00040 0.00009 0.00020 0.00000 0.00000 164 3S -0.00120 -0.00063 -0.00030 0.00000 0.00000 165 3PX -0.00823 0.00085 -0.00209 0.00008 -0.00001 166 3PY -0.00106 -0.00001 -0.00026 0.00000 0.00000 167 3PZ -0.00194 0.00045 0.00149 0.00002 0.00000 168 4XX -0.00002 -0.00001 -0.00001 0.00000 0.00000 169 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 170 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00003 0.00001 0.00002 0.00000 0.00000 175 2S -0.00077 -0.00037 -0.00074 0.00000 0.00000 176 2PX -0.00034 -0.00021 -0.00099 0.00000 0.00000 177 2PY -0.00060 -0.00032 -0.00049 0.00000 0.00000 178 2PZ -0.00060 -0.00004 -0.00008 0.00000 0.00000 179 3S -0.00275 -0.00006 -0.00288 0.00001 0.00000 180 3PX -0.00151 -0.00107 -0.00483 -0.00001 0.00000 181 3PY -0.00120 0.00088 -0.00107 0.00002 0.00002 182 3PZ -0.00198 0.00004 -0.00017 -0.00001 0.00000 183 4XX 0.00010 -0.00006 0.00013 0.00000 0.00000 184 4YY -0.00005 0.00005 -0.00005 0.00000 0.00000 185 4ZZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 186 4XY 0.00001 0.00001 0.00000 0.00000 0.00000 187 4XZ 0.00005 -0.00002 0.00003 0.00000 0.00000 188 4YZ 0.00001 0.00001 0.00001 0.00000 0.00000 189 17 H 1S -0.00058 -0.00006 -0.00054 0.00000 0.00000 190 2S -0.00309 -0.00042 -0.00520 -0.00002 0.00005 191 18 H 1S -0.00007 0.00000 0.00000 0.00000 0.00000 192 2S -0.00020 -0.00002 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S -0.00009 -0.00001 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00003 -0.00001 0.00000 0.00000 196 2S 0.00001 0.00096 0.00001 0.00000 0.00000 197 21 C 1S 0.00003 0.00000 0.00007 0.00000 0.00000 198 2S -0.00079 0.00013 -0.00137 0.00000 0.00000 199 2PX -0.00010 0.00006 -0.00057 0.00000 0.00000 200 2PY -0.00015 -0.00020 0.00034 0.00000 0.00000 201 2PZ -0.00144 0.00024 -0.00161 0.00000 0.00000 202 3S -0.00153 -0.00015 -0.00247 0.00001 -0.00002 203 3PX 0.00001 0.00042 -0.00027 0.00000 0.00000 204 3PY -0.00025 -0.00066 0.00018 -0.00001 0.00000 205 3PZ 0.00024 -0.00032 0.00159 -0.00007 -0.00002 206 4XX 0.00000 -0.00001 -0.00002 0.00000 0.00000 207 4YY -0.00005 0.00000 -0.00011 0.00000 0.00000 208 4ZZ 0.00012 -0.00002 0.00019 0.00000 0.00000 209 4XY 0.00001 0.00000 0.00005 0.00000 0.00000 210 4XZ 0.00004 -0.00001 0.00016 0.00000 0.00000 211 4YZ 0.00003 -0.00001 0.00007 0.00000 0.00000 212 22 H 1S -0.00005 0.00004 -0.00068 0.00000 0.00000 213 2S -0.00014 -0.00010 -0.00240 -0.00001 0.00000 214 23 H 1S 0.00004 0.00000 0.00006 0.00000 0.00000 215 2S 0.00097 -0.00009 0.00166 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00083 62 4XY 0.00000 0.00099 63 4XZ 0.00000 0.00000 0.00067 64 4YZ 0.00000 0.00000 0.00000 0.00118 65 7 H 1S 0.00196 0.00079 0.00137 0.00254 0.21485 66 2S 0.00252 0.00018 0.00020 0.00048 0.10204 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00042 0.00000 0.00000 0.00000 -0.00017 69 2PX 0.00000 0.00193 0.00000 0.00000 -0.00003 70 2PY -0.00117 0.00000 0.00000 0.00000 -0.00052 71 2PZ 0.00000 0.00000 0.00000 0.00204 -0.00008 72 3S -0.00094 0.00000 0.00000 0.00000 -0.00319 73 3PX 0.00000 0.00114 0.00000 0.00000 -0.00004 74 3PY -0.00112 0.00000 0.00000 0.00000 -0.00297 75 3PZ 0.00000 0.00000 0.00000 0.00118 -0.00079 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY -0.00003 0.00000 0.00000 0.00000 0.00002 78 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 -0.00012 0.00000 0.00000 0.00002 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 -0.00020 0.00006 82 9 H 1S 0.00000 0.00002 0.00000 0.00006 -0.00001 83 2S 0.00007 0.00010 0.00000 0.00025 -0.00088 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 87 2PY 0.00000 0.00003 0.00000 0.00001 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 89 3S 0.00005 0.00009 0.00000 0.00005 0.00008 90 3PX 0.00004 0.00000 0.00000 0.00003 0.00007 91 3PY -0.00008 0.00009 -0.00001 0.00002 0.00000 92 3PZ 0.00001 0.00003 0.00000 0.00001 0.00002 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 -0.00002 0.00000 0.00001 -0.00017 105 3PX 0.00003 -0.00002 0.00000 0.00004 -0.00001 106 3PY -0.00005 0.00016 -0.00005 0.00004 -0.00023 107 3PZ -0.00001 0.00005 0.00002 0.00002 -0.00025 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00001 0.00005 0.00001 -0.00001 131 2PX 0.00006 0.00002 0.00011 0.00002 -0.00001 132 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 133 2PZ -0.00001 0.00001 0.00005 0.00001 -0.00005 134 3S -0.00008 0.00002 0.00020 0.00004 -0.00070 135 3PX 0.00031 0.00005 0.00020 0.00010 -0.00076 136 3PY -0.00002 0.00001 0.00002 0.00000 0.00002 137 3PZ 0.00002 0.00004 0.00008 0.00002 -0.00081 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 149 3S 0.00001 0.00000 0.00000 0.00000 -0.00004 150 3PX -0.00001 0.00000 0.00005 0.00000 -0.00052 151 3PY 0.00000 -0.00002 0.00000 0.00000 -0.00006 152 3PZ 0.00000 0.00000 -0.00003 0.00000 -0.00040 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 -0.00001 0.00000 0.00002 165 3PX -0.00003 0.00001 -0.00001 0.00000 -0.00002 166 3PY 0.00000 0.00001 0.00000 0.00000 -0.00002 167 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00001 -0.00001 0.00000 0.00001 0.00002 180 3PX -0.00001 0.00005 -0.00003 0.00009 0.00005 181 3PY -0.00002 -0.00001 0.00002 -0.00001 -0.00003 182 3PZ -0.00001 0.00007 -0.00001 0.00002 0.00003 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00002 0.00002 -0.00001 0.00001 -0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00003 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 202 3S 0.00005 0.00000 0.00000 0.00000 0.00002 203 3PX 0.00000 0.00000 0.00001 0.00000 -0.00001 204 3PY 0.00003 0.00000 0.00000 -0.00001 0.00003 205 3PZ 0.00014 0.00001 0.00002 0.00002 0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00005 0.00000 0.00000 0.00000 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.13494 67 8 C 1S 0.00020 2.05570 68 2S -0.00288 -0.01298 0.31847 69 2PX -0.00061 0.00000 0.00000 0.36791 70 2PY -0.00607 0.00000 0.00000 0.00000 0.42070 71 2PZ -0.00104 0.00000 0.00000 0.00000 0.00000 72 3S -0.00518 -0.04328 0.27774 0.00000 0.00000 73 3PX -0.00092 0.00000 0.00000 0.11493 0.00000 74 3PY -0.00469 0.00000 0.00000 0.00000 0.07352 75 3PZ -0.00235 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00016 -0.00106 -0.00669 0.00000 0.00000 77 4YY -0.00009 -0.00130 -0.00140 0.00000 0.00000 78 4ZZ 0.00007 -0.00118 -0.00397 0.00000 0.00000 79 4XY 0.00010 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00025 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00088 -0.00206 0.03267 0.01950 0.02495 83 2S -0.00453 -0.00110 0.01289 0.01236 0.01318 84 10 C 1S 0.00000 0.00000 -0.00029 -0.00095 -0.00044 85 2S 0.00009 -0.00030 0.00764 0.01776 0.00872 86 2PX 0.00013 -0.00096 0.01695 0.01473 0.01683 87 2PY 0.00012 -0.00040 0.00625 0.01621 0.00097 88 2PZ 0.00005 -0.00034 0.00584 0.01807 0.00523 89 3S 0.00107 0.00070 0.00185 0.01814 0.00737 90 3PX 0.00067 0.00069 0.00078 -0.00001 0.00242 91 3PY -0.00001 0.00068 0.00064 0.00682 0.00261 92 3PZ 0.00023 0.00029 -0.00087 0.00427 0.00047 93 4XX 0.00000 -0.00005 0.00081 -0.00088 0.00125 94 4YY -0.00001 0.00001 -0.00028 -0.00017 -0.00037 95 4ZZ 0.00000 0.00000 -0.00006 -0.00006 0.00013 96 4XY 0.00001 -0.00010 0.00143 0.00117 0.00016 97 4XZ 0.00000 -0.00004 0.00061 0.00029 0.00061 98 4YZ 0.00000 -0.00004 0.00065 0.00154 0.00007 99 11 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 100 2S 0.00014 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00049 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00057 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00028 0.00000 0.00000 0.00000 0.00000 104 3S 0.00034 0.00000 0.00000 0.00000 0.00002 105 3PX 0.00308 0.00000 0.00000 0.00000 0.00002 106 3PY -0.00276 0.00000 0.00001 0.00000 0.00005 107 3PZ 0.00159 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00010 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00004 0.00000 0.00000 0.00000 0.00000 111 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00005 116 2PX 0.00000 0.00000 -0.00005 -0.00004 -0.00015 117 2PY 0.00000 0.00000 -0.00003 -0.00007 -0.00012 118 2PZ 0.00000 0.00000 -0.00002 -0.00004 -0.00004 119 3S -0.00001 0.00002 -0.00015 0.00019 -0.00205 120 3PX -0.00002 0.00007 -0.00163 -0.00043 -0.00320 121 3PY -0.00002 0.00004 -0.00063 -0.00077 -0.00226 122 3PZ 0.00000 0.00002 -0.00062 -0.00089 -0.00080 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00002 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 129 13 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 130 2S -0.00037 0.00000 0.00000 -0.00002 0.00000 131 2PX 0.00007 0.00000 0.00000 -0.00002 -0.00002 132 2PY -0.00001 0.00000 -0.00001 -0.00002 -0.00001 133 2PZ -0.00127 0.00000 0.00000 -0.00001 -0.00002 134 3S -0.00328 0.00000 -0.00010 -0.00037 0.00010 135 3PX -0.00124 0.00001 -0.00013 -0.00065 -0.00079 136 3PY 0.00003 -0.00001 -0.00004 -0.00026 0.00053 137 3PZ -0.00183 0.00000 -0.00007 -0.00037 -0.00040 138 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00008 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 145 2S -0.00027 0.00000 0.00000 0.00000 0.00000 146 2PX -0.00060 0.00000 0.00000 -0.00004 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00012 0.00000 0.00000 -0.00001 0.00000 149 3S -0.00018 0.00000 0.00002 -0.00025 -0.00008 150 3PX -0.00069 0.00002 -0.00036 -0.00221 -0.00004 151 3PY -0.00028 0.00000 -0.00002 -0.00035 -0.00002 152 3PZ -0.00012 0.00000 -0.00008 -0.00048 0.00006 153 4XX -0.00002 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 156 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00000 -0.00003 0.00000 161 2PX 0.00004 0.00000 -0.00003 -0.00007 0.00000 162 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3S 0.00000 -0.00001 -0.00006 0.00051 0.00000 165 3PX 0.00009 0.00003 -0.00113 -0.00031 0.00000 166 3PY -0.00029 0.00000 0.00000 0.00000 -0.00003 167 3PZ -0.00002 0.00001 -0.00020 -0.00033 0.00000 168 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00002 0.00000 -0.00015 0.00011 -0.00001 176 2PX 0.00002 0.00000 0.00009 0.00195 0.00012 177 2PY 0.00003 0.00000 -0.00001 0.00010 -0.00003 178 2PZ 0.00006 0.00000 0.00012 0.00165 0.00009 179 3S 0.00030 0.00017 -0.00093 -0.00022 -0.00024 180 3PX 0.00037 0.00004 -0.00075 0.00504 0.00061 181 3PY -0.00021 0.00003 0.00011 -0.00031 0.00084 182 3PZ 0.00030 0.00007 -0.00018 0.00687 0.00028 183 4XX 0.00000 0.00000 0.00003 0.00003 0.00001 184 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00007 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 187 4XZ 0.00000 0.00000 0.00005 0.00014 0.00002 188 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 189 17 H 1S -0.00004 0.00000 0.00000 0.00000 0.00000 190 2S 0.00045 0.00000 0.00001 -0.00001 0.00008 191 18 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 192 2S 0.00091 0.00000 0.00000 -0.00002 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S -0.00003 0.00000 -0.00001 0.00006 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00001 196 2S -0.00006 0.00002 -0.00026 -0.00062 -0.00070 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00003 0.00000 -0.00001 -0.00002 0.00000 199 2PX 0.00000 0.00000 -0.00001 -0.00001 0.00000 200 2PY 0.00003 0.00000 0.00000 0.00001 0.00000 201 2PZ 0.00006 0.00000 -0.00003 -0.00005 -0.00001 202 3S 0.00041 0.00002 -0.00045 -0.00026 -0.00021 203 3PX -0.00010 0.00001 -0.00013 0.00000 0.00023 204 3PY 0.00043 0.00000 -0.00008 0.00014 -0.00002 205 3PZ 0.00039 0.00003 -0.00031 0.00048 -0.00026 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00016 0.00000 -0.00011 -0.00002 -0.00006 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00003 0.00000 0.00002 0.00007 0.00000 71 72 73 74 75 71 2PZ 0.37981 72 3S 0.00000 0.55077 73 3PX 0.00000 0.00000 0.12665 74 3PY 0.00000 0.00000 0.00000 0.06783 75 3PZ 0.11624 0.00000 0.00000 0.00000 0.13016 76 4XX 0.00000 -0.00521 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.00388 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00231 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.05560 0.04489 0.00948 0.00981 0.02975 83 2S 0.03319 0.00299 0.00938 0.00826 0.02860 84 10 C 1S -0.00039 0.00105 -0.00003 -0.00095 0.00021 85 2S 0.00731 -0.00077 0.00664 0.00697 0.00125 86 2PX 0.01832 0.02627 0.00133 0.01031 0.00941 87 2PY 0.00560 0.01340 0.01072 0.00177 0.00477 88 2PZ -0.00004 0.00962 0.01189 0.00289 -0.00050 89 3S 0.00700 -0.02522 0.00893 0.00480 0.00046 90 3PX 0.00399 -0.00638 0.00087 0.00273 0.00157 91 3PY 0.00203 -0.00974 0.00242 0.00198 -0.00091 92 3PZ 0.00266 -0.00174 0.00422 -0.00027 0.00296 93 4XX 0.00086 0.00376 -0.00081 0.00036 0.00165 94 4YY -0.00023 -0.00170 -0.00007 -0.00034 -0.00063 95 4ZZ -0.00015 0.00025 0.00085 -0.00023 -0.00043 96 4XY 0.00140 0.00182 0.00006 0.00003 0.00045 97 4XZ -0.00005 0.00027 0.00002 0.00006 0.00017 98 4YZ -0.00001 0.00071 0.00050 0.00003 0.00012 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00001 0.00000 0.00003 0.00000 101 2PX 0.00000 0.00004 0.00000 0.00014 0.00000 102 2PY 0.00000 0.00006 0.00000 0.00013 0.00000 103 2PZ 0.00000 0.00001 -0.00001 0.00003 -0.00001 104 3S 0.00000 0.00008 0.00003 0.00035 -0.00002 105 3PX 0.00000 0.00054 0.00000 0.00151 -0.00003 106 3PY 0.00000 0.00065 0.00004 0.00112 0.00005 107 3PZ 0.00000 0.00019 -0.00011 0.00030 -0.00010 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00001 -0.00004 0.00001 -0.00002 115 2S 0.00000 -0.00071 0.00028 0.00041 0.00007 116 2PX -0.00004 -0.00467 -0.00023 0.00146 -0.00096 117 2PY -0.00002 -0.00287 -0.00241 0.00104 -0.00095 118 2PZ 0.00000 -0.00119 -0.00060 0.00035 -0.00043 119 3S 0.00009 -0.00059 0.00309 -0.00252 0.00095 120 3PX -0.00088 -0.02240 -0.00013 0.00361 -0.00348 121 3PY -0.00007 -0.00976 -0.00599 0.00141 -0.00220 122 3PZ -0.00015 -0.00578 -0.00256 0.00110 -0.00259 123 4XX 0.00000 0.00006 -0.00002 0.00006 0.00003 124 4YY 0.00000 -0.00041 -0.00034 0.00025 -0.00014 125 4ZZ 0.00000 0.00010 0.00004 -0.00005 -0.00001 126 4XY 0.00001 -0.00028 0.00000 0.00021 -0.00004 127 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00000 -0.00005 0.00002 0.00004 -0.00005 129 13 C 1S 0.00000 0.00001 0.00003 0.00001 0.00002 130 2S -0.00001 -0.00051 -0.00077 -0.00037 -0.00074 131 2PX -0.00002 -0.00037 -0.00034 -0.00021 -0.00099 132 2PY -0.00002 -0.00069 -0.00060 -0.00032 -0.00049 133 2PZ -0.00001 0.00024 -0.00060 -0.00004 -0.00008 134 3S -0.00048 -0.00253 -0.00275 -0.00006 -0.00288 135 3PX -0.00108 -0.00112 -0.00151 -0.00107 -0.00483 136 3PY -0.00020 -0.00153 -0.00120 0.00088 -0.00107 137 3PZ -0.00009 0.00124 -0.00198 0.00004 -0.00017 138 4XX 0.00000 0.00006 0.00010 -0.00006 0.00013 139 4YY 0.00000 0.00000 -0.00005 0.00005 -0.00005 140 4ZZ 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 141 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 142 4XZ 0.00000 0.00002 0.00005 -0.00002 0.00003 143 4YZ 0.00000 0.00001 0.00001 0.00001 0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00004 -0.00018 0.00000 -0.00002 146 2PX -0.00001 -0.00043 -0.00189 0.00025 -0.00037 147 2PY 0.00000 -0.00010 -0.00009 0.00001 -0.00004 148 2PZ 0.00000 -0.00012 -0.00040 0.00009 0.00020 149 3S -0.00003 -0.00014 -0.00120 -0.00063 -0.00030 150 3PX -0.00037 -0.00280 -0.00823 0.00085 -0.00209 151 3PY -0.00002 -0.00053 -0.00106 -0.00001 -0.00026 152 3PZ 0.00013 -0.00076 -0.00194 0.00045 0.00149 153 4XX 0.00000 0.00000 -0.00002 -0.00001 -0.00001 154 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 155 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 156 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00007 0.00000 0.00000 160 2S 0.00000 -0.00028 -0.00075 0.00000 -0.00013 161 2PX 0.00000 -0.00139 -0.00011 0.00000 -0.00036 162 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 163 2PZ 0.00000 -0.00032 -0.00007 0.00000 -0.00009 164 3S 0.00014 0.00119 0.00232 0.00000 0.00085 165 3PX -0.00002 -0.00570 0.00027 0.00001 -0.00022 166 3PY 0.00000 0.00000 -0.00001 0.00024 0.00000 167 3PZ 0.00008 -0.00170 -0.00090 0.00000 0.00057 168 4XX 0.00000 0.00003 0.00031 0.00000 0.00010 169 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00001 170 4ZZ 0.00000 0.00001 -0.00013 0.00000 -0.00002 171 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 172 4XZ 0.00000 0.00001 0.00006 0.00000 -0.00001 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00014 0.00005 0.00003 0.00002 175 2S 0.00016 0.00024 -0.00060 -0.00054 0.00112 176 2PX 0.00183 0.00128 0.00479 -0.00010 0.00941 177 2PY 0.00006 0.00037 0.00029 0.00052 0.00039 178 2PZ 0.00130 -0.00018 0.00881 0.00047 0.00292 179 3S 0.00109 -0.00098 -0.00125 -0.00129 0.00147 180 3PX 0.00833 0.00068 0.00579 0.00022 0.01786 181 3PY -0.00021 -0.00068 -0.00056 0.00207 -0.00080 182 3PZ 0.00254 -0.00350 0.01481 0.00071 0.00177 183 4XX 0.00008 0.00036 0.00028 0.00009 0.00040 184 4YY -0.00002 -0.00026 -0.00037 -0.00001 -0.00028 185 4ZZ 0.00000 0.00002 0.00042 -0.00001 0.00012 186 4XY 0.00001 0.00001 0.00001 0.00002 0.00003 187 4XZ 0.00007 0.00022 0.00024 0.00004 0.00014 188 4YZ 0.00001 -0.00001 0.00003 0.00000 0.00000 189 17 H 1S 0.00000 0.00001 0.00000 0.00003 -0.00001 190 2S 0.00000 0.00031 0.00001 0.00096 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00006 -0.00009 -0.00001 0.00000 193 19 H 1S 0.00000 0.00000 -0.00007 0.00000 0.00000 194 2S 0.00000 0.00000 -0.00020 -0.00002 0.00000 195 20 H 1S -0.00001 -0.00039 -0.00058 -0.00006 -0.00054 196 2S -0.00103 -0.00545 -0.00309 -0.00042 -0.00520 197 21 C 1S 0.00000 0.00002 0.00003 0.00000 0.00007 198 2S -0.00005 -0.00057 -0.00079 0.00013 -0.00137 199 2PX -0.00003 -0.00022 -0.00010 0.00006 -0.00057 200 2PY -0.00001 0.00041 -0.00015 -0.00020 0.00034 201 2PZ -0.00011 -0.00091 -0.00144 0.00024 -0.00161 202 3S -0.00080 -0.00191 -0.00153 -0.00015 -0.00247 203 3PX 0.00012 -0.00068 0.00001 0.00042 -0.00027 204 3PY -0.00033 0.00083 -0.00025 -0.00066 0.00018 205 3PZ 0.00038 0.00015 0.00024 -0.00032 0.00158 206 4XX 0.00000 0.00002 0.00000 -0.00001 -0.00002 207 4YY 0.00000 -0.00003 -0.00005 0.00000 -0.00011 208 4ZZ 0.00001 0.00003 0.00012 -0.00002 0.00019 209 4XY 0.00000 0.00000 0.00001 0.00000 0.00005 210 4XZ 0.00002 0.00005 0.00004 -0.00001 0.00016 211 4YZ 0.00000 0.00002 0.00003 -0.00001 0.00007 212 22 H 1S -0.00001 -0.00016 -0.00005 0.00004 -0.00068 213 2S -0.00078 -0.00036 -0.00014 -0.00010 -0.00240 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 0.00006 215 2S 0.00013 0.00047 0.00097 -0.00009 0.00166 76 77 78 79 80 76 4XX 0.00095 77 4YY -0.00007 0.00091 78 4ZZ 0.00007 -0.00006 0.00083 79 4XY 0.00000 0.00000 0.00000 0.00099 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00067 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00078 -0.00080 0.00196 0.00079 0.00137 83 2S -0.00055 -0.00116 0.00252 0.00018 0.00020 84 10 C 1S -0.00004 0.00000 0.00000 -0.00007 -0.00004 85 2S 0.00095 -0.00028 -0.00013 0.00107 0.00070 86 2PX -0.00034 -0.00029 -0.00025 0.00086 0.00043 87 2PY 0.00079 -0.00028 -0.00016 0.00001 0.00074 88 2PZ 0.00058 -0.00009 -0.00011 0.00074 -0.00001 89 3S 0.00154 -0.00061 -0.00023 0.00041 0.00022 90 3PX -0.00033 0.00015 0.00028 0.00002 0.00001 91 3PY 0.00037 0.00012 -0.00043 -0.00008 0.00003 92 3PZ 0.00060 -0.00006 -0.00030 0.00009 0.00007 93 4XX -0.00001 -0.00009 0.00002 -0.00002 0.00001 94 4YY -0.00005 0.00002 -0.00002 0.00000 -0.00005 95 4ZZ -0.00002 -0.00002 0.00001 -0.00007 0.00000 96 4XY -0.00001 -0.00001 -0.00006 0.00003 0.00000 97 4XZ 0.00000 -0.00004 0.00000 -0.00001 0.00001 98 4YZ -0.00004 0.00000 0.00000 -0.00001 0.00001 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00001 0.00007 -0.00001 -0.00002 0.00000 120 3PX -0.00004 0.00030 0.00003 -0.00002 0.00000 121 3PY -0.00003 0.00033 -0.00005 0.00016 -0.00005 122 3PZ 0.00005 0.00004 -0.00001 0.00005 0.00002 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00001 -0.00001 0.00000 135 3PX -0.00001 0.00000 -0.00001 0.00005 -0.00003 136 3PY 0.00002 0.00002 -0.00002 -0.00001 0.00002 137 3PZ -0.00001 0.00000 -0.00001 0.00007 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00001 -0.00001 150 3PX 0.00008 -0.00001 -0.00003 0.00001 -0.00001 151 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 152 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 0.00000 0.00001 0.00000 0.00000 165 3PX 0.00031 -0.00005 -0.00001 0.00000 0.00005 166 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 167 3PZ 0.00009 -0.00001 0.00000 0.00000 -0.00003 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00002 0.00000 0.00000 0.00001 0.00005 176 2PX 0.00001 -0.00001 0.00006 0.00002 0.00011 177 2PY 0.00001 0.00000 0.00001 0.00000 0.00001 178 2PZ 0.00007 -0.00001 -0.00001 0.00001 0.00005 179 3S 0.00025 -0.00006 -0.00008 0.00002 0.00020 180 3PX 0.00018 -0.00015 0.00031 0.00005 0.00020 181 3PY 0.00002 0.00000 -0.00002 0.00001 0.00002 182 3PZ 0.00031 -0.00009 0.00002 0.00004 0.00008 183 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S -0.00002 0.00005 -0.00002 0.00002 -0.00001 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 202 3S 0.00001 -0.00002 0.00005 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 204 3PY -0.00001 0.00000 0.00003 0.00000 0.00000 205 3PZ -0.00007 -0.00002 0.00014 0.00001 0.00002 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 0.00000 0.00005 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4YZ 0.00118 82 9 H 1S 0.00254 0.21485 83 2S 0.00048 0.10204 0.13494 84 10 C 1S -0.00003 0.00000 0.00025 2.05381 85 2S 0.00042 -0.00017 -0.00376 -0.01557 0.35855 86 2PX 0.00083 -0.00043 -0.00566 0.00000 0.00000 87 2PY 0.00001 -0.00002 0.00009 0.00000 0.00000 88 2PZ 0.00000 -0.00020 -0.00302 0.00000 0.00000 89 3S 0.00025 -0.00293 -0.00994 -0.02761 0.20695 90 3PX 0.00014 -0.00144 -0.00332 0.00000 0.00000 91 3PY -0.00007 -0.00055 -0.00101 0.00000 0.00000 92 3PZ 0.00004 -0.00034 0.00008 0.00000 0.00000 93 4XX -0.00006 0.00003 0.00022 -0.00100 -0.00848 94 4YY 0.00000 -0.00001 -0.00019 -0.00121 -0.00258 95 4ZZ 0.00000 0.00004 0.00057 -0.00087 -0.01095 96 4XY 0.00001 -0.00001 -0.00006 0.00000 0.00000 97 4XZ 0.00000 0.00006 0.00020 0.00000 0.00000 98 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 105 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 106 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 -0.00001 0.00000 -0.00026 115 2S 0.00000 0.00000 0.00014 -0.00015 0.00379 116 2PX 0.00000 0.00000 0.00049 -0.00002 0.00032 117 2PY 0.00000 0.00000 -0.00057 -0.00178 0.04272 118 2PZ 0.00000 0.00000 0.00028 -0.00001 0.00021 119 3S 0.00001 -0.00017 0.00034 -0.00082 -0.01267 120 3PX 0.00004 -0.00001 0.00308 -0.00006 0.00042 121 3PY 0.00004 -0.00023 -0.00276 -0.00832 0.06356 122 3PZ 0.00002 -0.00025 0.00159 -0.00004 0.00030 123 4XX 0.00000 0.00000 0.00004 0.00001 -0.00068 124 4YY 0.00000 0.00000 -0.00010 -0.00082 0.00785 125 4ZZ 0.00000 0.00000 0.00004 0.00001 -0.00066 126 4XY 0.00000 0.00000 -0.00001 -0.00002 0.00010 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00006 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00002 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 134 3S 0.00001 0.00002 0.00030 0.00000 0.00000 135 3PX 0.00009 0.00005 0.00037 0.00000 0.00003 136 3PY -0.00001 -0.00003 -0.00021 0.00000 -0.00001 137 3PZ 0.00002 0.00003 0.00030 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 147 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00000 0.00000 150 3PX 0.00000 -0.00002 0.00009 0.00000 0.00001 151 3PY 0.00000 -0.00002 -0.00029 0.00000 0.00000 152 3PZ 0.00000 -0.00004 -0.00002 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00027 0.00000 0.00000 161 2PX 0.00000 -0.00002 -0.00060 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 164 3S 0.00000 -0.00004 -0.00018 0.00000 0.00000 165 3PX 0.00000 -0.00052 -0.00069 0.00000 -0.00002 166 3PY 0.00000 -0.00006 -0.00028 0.00000 0.00000 167 3PZ 0.00000 -0.00040 -0.00012 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 171 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 175 2S 0.00001 -0.00001 -0.00037 0.00000 0.00000 176 2PX 0.00002 -0.00001 0.00007 0.00000 -0.00002 177 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PZ 0.00001 -0.00005 -0.00127 0.00000 0.00000 179 3S 0.00004 -0.00070 -0.00328 -0.00001 0.00000 180 3PX 0.00010 -0.00076 -0.00124 0.00003 -0.00057 181 3PY 0.00000 0.00002 0.00003 0.00000 -0.00001 182 3PZ 0.00002 -0.00081 -0.00183 0.00000 -0.00011 183 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00008 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 -0.00006 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00007 0.00000 0.00000 194 2S 0.00000 0.00003 0.00091 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 -0.00004 0.00000 0.00000 196 2S 0.00001 -0.00001 0.00045 0.00000 -0.00016 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00003 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 202 3S 0.00000 0.00002 0.00041 0.00000 -0.00002 203 3PX 0.00000 -0.00001 -0.00010 0.00000 -0.00014 204 3PY -0.00001 0.00003 0.00043 0.00000 -0.00007 205 3PZ 0.00002 0.00003 0.00039 0.00000 -0.00003 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00001 0.00016 0.00001 -0.00014 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 86 87 88 89 90 86 2PX 0.37725 87 2PY 0.00000 0.42606 88 2PZ 0.00000 0.00000 0.32857 89 3S 0.00000 0.00000 0.00000 0.22567 90 3PX 0.04912 0.00000 0.00000 0.00000 0.04066 91 3PY 0.00000 -0.00339 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.07015 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00375 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00438 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00507 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00001 -0.00198 -0.00001 0.00154 0.00000 115 2S 0.00021 0.02886 0.00018 -0.02282 -0.00005 116 2PX 0.01235 0.00175 -0.00024 0.00041 0.01758 117 2PY 0.00169 0.10300 0.00136 0.02216 0.00008 118 2PZ -0.00024 0.00131 0.01971 0.00015 -0.00007 119 3S -0.00005 0.00881 -0.00016 -0.07513 -0.00022 120 3PX 0.02139 0.00150 -0.00027 0.00089 0.03941 121 3PY 0.00139 0.05542 0.00115 0.04105 0.00013 122 3PZ -0.00027 0.00119 0.03788 0.00029 -0.00010 123 4XX 0.00002 -0.00094 0.00000 -0.00045 -0.00002 124 4YY 0.00032 0.00968 0.00026 0.00588 0.00006 125 4ZZ -0.00001 -0.00086 0.00001 -0.00056 0.00000 126 4XY 0.00381 0.00028 -0.00002 0.00004 0.00121 127 4XZ 0.00002 0.00001 0.00004 0.00000 0.00001 128 4YZ -0.00002 0.00019 0.00454 0.00002 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00001 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00002 0.00002 132 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 134 3S -0.00002 0.00000 0.00000 0.00006 -0.00013 135 3PX 0.00000 0.00005 -0.00002 0.00023 0.00004 136 3PY -0.00004 -0.00002 0.00000 0.00003 -0.00006 137 3PZ 0.00001 0.00000 0.00000 -0.00001 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00003 0.00000 150 3PX 0.00000 0.00001 0.00000 0.00012 -0.00004 151 3PY 0.00000 0.00000 0.00000 0.00005 0.00005 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00001 0.00001 161 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00002 0.00000 0.00000 -0.00009 0.00020 165 3PX -0.00004 0.00000 0.00000 0.00011 -0.00010 166 3PY 0.00001 0.00000 0.00000 0.00002 0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00001 0.00001 175 2S -0.00001 0.00000 0.00000 -0.00019 -0.00059 176 2PX -0.00002 0.00000 0.00002 -0.00015 -0.00010 177 2PY 0.00000 0.00000 0.00000 0.00002 -0.00004 178 2PZ 0.00001 0.00000 0.00000 0.00006 0.00011 179 3S -0.00070 -0.00004 -0.00023 0.00028 -0.00303 180 3PX 0.00093 -0.00010 0.00060 -0.00030 0.00162 181 3PY -0.00001 -0.00002 0.00000 -0.00001 -0.00016 182 3PZ -0.00009 0.00000 -0.00008 0.00009 0.00015 183 4XX 0.00001 0.00000 0.00000 0.00001 0.00010 184 4YY 0.00000 0.00000 0.00000 0.00001 -0.00002 185 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00001 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00001 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00002 -0.00002 195 20 H 1S -0.00001 0.00000 0.00000 0.00002 -0.00027 196 2S -0.00012 -0.00004 0.00009 0.00016 0.00098 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00001 -0.00002 199 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 200 2PY 0.00000 0.00000 0.00000 -0.00011 -0.00011 201 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 202 3S -0.00003 0.00004 -0.00006 0.00003 0.00002 203 3PX -0.00028 -0.00011 -0.00018 -0.00004 -0.00053 204 3PY -0.00016 0.00000 0.00007 -0.00062 -0.00045 205 3PZ 0.00005 -0.00001 0.00004 -0.00037 0.00012 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00010 -0.00007 0.00012 -0.00040 0.00032 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 -0.00002 0.00001 91 92 93 94 95 91 3PY 0.03597 92 3PZ 0.00000 0.06508 93 4XX 0.00000 0.00000 0.00216 94 4YY 0.00000 0.00000 -0.00040 0.00226 95 4ZZ 0.00000 0.00000 0.00032 -0.00023 0.00175 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00006 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY -0.00014 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00027 0.00000 0.00001 -0.00074 0.00000 115 2S -0.01433 0.00001 -0.00067 0.00815 -0.00056 116 2PX -0.00030 -0.00007 0.00010 0.00028 0.00000 117 2PY -0.00467 0.00021 -0.00145 0.00257 -0.00134 118 2PZ -0.00011 0.02349 -0.00001 0.00015 0.00004 119 3S -0.02238 -0.00022 -0.00255 0.01163 -0.00197 120 3PX -0.00053 -0.00010 -0.00008 0.00025 0.00004 121 3PY -0.00172 0.00029 -0.00439 0.00160 -0.00407 122 3PZ -0.00020 0.05178 -0.00002 0.00013 -0.00003 123 4XX 0.00121 0.00000 0.00007 -0.00013 0.00002 124 4YY -0.00155 0.00008 -0.00024 -0.00002 -0.00025 125 4ZZ 0.00106 -0.00002 0.00002 -0.00010 0.00006 126 4XY -0.00001 -0.00001 0.00001 0.00003 0.00000 127 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00169 0.00000 0.00001 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00001 -0.00002 0.00000 0.00000 0.00000 132 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 134 3S 0.00008 -0.00001 0.00000 0.00000 0.00000 135 3PX 0.00010 -0.00014 0.00000 0.00000 0.00000 136 3PY 0.00004 -0.00005 0.00000 0.00000 0.00000 137 3PZ -0.00003 0.00004 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00012 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 165 3PX 0.00012 0.00000 0.00000 0.00000 0.00000 166 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00013 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00009 0.00000 0.00000 0.00000 176 2PX -0.00020 0.00015 0.00001 0.00000 0.00000 177 2PY -0.00002 -0.00001 0.00000 0.00000 0.00000 178 2PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 179 3S -0.00007 -0.00102 0.00002 0.00000 -0.00001 180 3PX -0.00036 0.00123 0.00025 -0.00004 -0.00009 181 3PY 0.00034 0.00002 0.00001 0.00000 0.00000 182 3PZ 0.00005 0.00000 0.00008 -0.00001 -0.00001 183 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 184 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00002 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 195 20 H 1S 0.00006 -0.00008 0.00000 0.00000 0.00000 196 2S -0.00007 0.00012 -0.00005 0.00002 0.00001 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00004 -0.00007 0.00000 0.00000 0.00000 199 2PX -0.00011 -0.00006 0.00000 0.00000 0.00000 200 2PY -0.00008 0.00003 0.00000 0.00000 0.00000 201 2PZ -0.00011 -0.00003 0.00000 0.00000 0.00000 202 3S -0.00026 -0.00021 0.00000 0.00000 0.00000 203 3PX -0.00024 -0.00060 0.00001 0.00001 -0.00001 204 3PY -0.00012 0.00017 0.00000 0.00000 0.00001 205 3PZ -0.00058 0.00006 0.00000 0.00000 0.00001 206 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00007 -0.00004 0.00000 0.00000 0.00000 213 2S -0.00047 0.00056 -0.00003 0.00000 0.00005 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00002 0.00005 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00399 97 4XZ 0.00000 0.00058 98 4YZ 0.00000 0.00000 0.00308 99 11 O 1S 0.00000 0.00000 0.00000 2.07880 100 2S 0.00000 0.00000 0.00000 -0.04267 0.50275 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.04121 0.45937 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00040 -0.00581 109 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00610 110 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00475 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00002 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00017 0.00001 0.00009 0.00000 0.00000 116 2PX 0.00738 0.00003 0.00006 0.00000 0.00000 117 2PY 0.00036 0.00002 0.00015 0.00000 0.00000 118 2PZ 0.00006 0.00004 0.00633 0.00000 0.00000 119 3S 0.00007 0.00001 0.00004 0.00000 0.00000 120 3PX 0.00801 0.00003 0.00003 0.00000 0.00000 121 3PY 0.00009 0.00001 0.00003 0.00000 0.00000 122 3PZ 0.00003 0.00004 0.00667 0.00000 0.00000 123 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00004 0.00000 0.00002 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 126 4XY 0.00061 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00001 0.00064 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00001 0.00001 0.00000 0.00000 0.00000 180 3PX 0.00001 0.00005 0.00001 0.00000 0.00000 181 3PY -0.00002 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00009 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00004 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00001 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 204 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00001 0.00000 0.00001 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00001 0.00000 0.00002 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 2PX 0.74001 102 2PY 0.00000 0.60252 103 2PZ 0.00000 0.00000 0.64453 104 3S 0.00000 0.00000 0.00000 0.77264 105 3PX 0.25586 0.00000 0.00000 0.00000 0.35396 106 3PY 0.00000 0.16356 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.21808 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00800 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.01682 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00628 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 131 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 134 3S -0.00010 0.00003 -0.00002 -0.00029 -0.00099 135 3PX -0.00011 0.00001 -0.00005 -0.00002 -0.00094 136 3PY -0.00015 0.00000 0.00000 -0.00027 -0.00112 137 3PZ 0.00000 -0.00001 0.00001 0.00008 -0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00001 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00002 0.00003 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 181 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00003 190 2S 0.00056 -0.00003 0.00004 0.00069 0.00384 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 -0.00002 0.00006 203 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00004 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00008 205 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00005 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 107 108 109 110 106 3PY 0.17852 107 3PZ 0.00000 0.29554 108 4XX 0.00000 0.00000 0.00052 109 4YY 0.00000 0.00000 -0.00005 0.00322 110 4ZZ 0.00000 0.00000 0.00014 -0.00006 0.00042 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.00006 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00027 -0.00017 0.00000 0.00001 0.00000 135 3PX -0.00001 -0.00048 0.00001 0.00000 0.00000 136 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 137 3PZ -0.00002 0.00021 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PX -0.00001 0.00001 0.00000 0.00000 0.00000 181 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00020 0.00030 0.00001 -0.00002 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00004 0.00002 0.00000 0.00000 0.00000 203 3PX 0.00004 -0.00001 0.00000 0.00000 0.00000 204 3PY -0.00003 -0.00005 0.00000 0.00000 0.00000 205 3PZ -0.00001 -0.00003 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00185 112 4XZ 0.00000 0.00006 113 4YZ 0.00000 0.00000 0.00195 114 12 O 1S 0.00000 0.00000 0.00000 2.07880 115 2S 0.00000 0.00000 0.00000 -0.04267 0.50275 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.04121 0.45937 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00040 -0.00581 124 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00610 125 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00475 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 181 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00001 0.00001 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00009 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 0.00000 0.00000 203 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2PX 0.74000 117 2PY 0.00000 0.60252 118 2PZ 0.00000 0.00000 0.64453 119 3S 0.00000 0.00000 0.00000 0.77265 120 3PX 0.25586 0.00000 0.00000 0.00000 0.35396 121 3PY 0.00000 0.16356 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.21808 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00800 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.01682 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00628 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00001 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00002 0.00003 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 178 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 179 3S -0.00010 0.00003 -0.00002 -0.00029 -0.00099 180 3PX -0.00011 0.00001 -0.00005 -0.00002 -0.00094 181 3PY -0.00015 0.00000 0.00000 -0.00027 -0.00112 182 3PZ 0.00000 -0.00001 0.00001 0.00008 -0.00001 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00003 196 2S 0.00056 -0.00003 0.00004 0.00069 0.00385 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S 0.00000 0.00000 0.00000 -0.00002 0.00006 203 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00004 204 3PY 0.00000 0.00000 0.00000 -0.00002 0.00008 205 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00005 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 121 122 123 124 125 121 3PY 0.17852 122 3PZ 0.00000 0.29554 123 4XX 0.00000 0.00000 0.00052 124 4YY 0.00000 0.00000 -0.00005 0.00322 125 4ZZ 0.00000 0.00000 0.00014 -0.00006 0.00042 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00001 0.00000 0.00000 0.00000 136 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2PX 0.00000 -0.00006 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00027 -0.00017 0.00000 0.00001 0.00000 180 3PX -0.00001 -0.00048 0.00001 0.00000 0.00000 181 3PY 0.00001 -0.00003 0.00000 0.00000 0.00000 182 3PZ -0.00002 0.00021 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S -0.00020 0.00030 0.00001 -0.00002 0.00000 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 202 3S -0.00004 0.00002 0.00000 0.00000 0.00000 203 3PX 0.00004 -0.00001 0.00000 0.00000 0.00000 204 3PY -0.00003 -0.00005 0.00000 0.00000 0.00000 205 3PZ -0.00001 -0.00003 0.00000 0.00000 0.00000 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 126 127 128 129 130 126 4XY 0.00185 127 4XZ 0.00000 0.00006 128 4YZ 0.00000 0.00000 0.00195 129 13 C 1S 0.00000 0.00000 0.00000 2.05588 130 2S 0.00000 0.00000 0.00000 -0.01390 0.33136 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03805 0.25401 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00095 -0.00812 139 4YY 0.00000 0.00000 0.00000 -0.00152 0.00216 140 4ZZ 0.00000 0.00000 0.00000 -0.00101 -0.00708 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00045 145 2S 0.00000 0.00000 0.00000 -0.00049 0.01003 146 2PX 0.00000 0.00000 0.00000 -0.00161 0.02420 147 2PY 0.00000 0.00000 0.00000 -0.00029 0.00507 148 2PZ 0.00000 0.00000 0.00000 -0.00069 0.01081 149 3S 0.00000 0.00000 0.00000 0.00086 0.00257 150 3PX 0.00000 0.00000 0.00000 -0.00057 0.01205 151 3PY 0.00000 0.00000 0.00000 -0.00027 0.00199 152 3PZ 0.00000 0.00000 0.00000 0.00043 0.00072 153 4XX 0.00000 0.00000 0.00000 -0.00006 0.00108 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00059 155 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00013 156 4XY 0.00000 0.00000 0.00000 -0.00005 0.00055 157 4XZ 0.00000 0.00000 0.00000 -0.00012 0.00128 158 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00031 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00023 161 2PX 0.00000 0.00000 0.00000 0.00000 -0.00014 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00045 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 164 3S 0.00000 0.00000 0.00000 0.00005 -0.00233 165 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00014 166 3PY 0.00000 0.00000 0.00000 0.00007 -0.00249 167 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00013 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00004 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00018 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00055 178 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S -0.00001 0.00000 0.00000 0.00018 -0.00251 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY -0.00001 0.00000 0.00000 0.00029 -0.00282 182 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00010 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 -0.00213 0.03297 190 2S 0.00000 0.00000 0.00000 -0.00137 0.01288 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 192 2S 0.00000 0.00000 0.00000 0.00020 -0.00277 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00001 0.00018 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00001 0.00001 0.00000 0.00000 0.00017 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 198 2S 0.00000 0.00000 0.00000 -0.00020 0.00539 199 2PX 0.00000 0.00000 0.00000 -0.00008 0.00134 200 2PY 0.00000 0.00000 0.00000 -0.00086 0.01753 201 2PZ 0.00000 0.00000 0.00000 -0.00053 0.01024 202 3S 0.00000 0.00000 0.00000 0.00024 0.00296 203 3PX 0.00000 0.00000 0.00000 -0.00002 0.00076 204 3PY 0.00000 0.00000 0.00000 -0.00071 0.01147 205 3PZ 0.00000 0.00000 0.00000 -0.00049 0.00732 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00028 207 4YY 0.00000 0.00000 0.00000 -0.00005 0.00098 208 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 209 4XY 0.00000 0.00000 0.00000 -0.00002 0.00028 210 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00019 211 4YZ 0.00000 0.00000 0.00000 -0.00008 0.00144 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00009 213 2S 0.00000 0.00000 0.00000 0.00013 -0.00182 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 215 2S 0.00000 0.00000 0.00000 0.00020 -0.00344 131 132 133 134 135 131 2PX 0.36493 132 2PY 0.00000 0.42724 133 2PZ 0.00000 0.00000 0.35262 134 3S 0.00000 0.00000 0.00000 0.34826 135 3PX 0.10894 0.00000 0.00000 0.00000 0.12345 136 3PY 0.00000 0.07727 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.09448 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00815 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00396 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00504 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00153 -0.00024 -0.00083 -0.00050 -0.00113 145 2S 0.02457 0.00323 0.01296 0.01227 0.01519 146 2PX 0.01112 0.00781 0.04059 0.03049 -0.00002 147 2PY 0.01117 -0.00073 0.00541 0.00116 0.00500 148 2PZ 0.04405 0.00278 -0.00034 0.00463 0.02362 149 3S 0.01025 0.00561 0.00959 -0.01656 -0.00450 150 3PX -0.00048 0.00358 0.01834 0.02074 0.00734 151 3PY 0.00775 0.00381 0.00299 -0.00059 0.00626 152 3PZ 0.01847 0.00062 0.00380 -0.01150 0.01675 153 4XX -0.00085 0.00062 0.00157 0.00173 -0.00119 154 4YY -0.00079 0.00004 -0.00050 -0.00122 -0.00066 155 4ZZ 0.00052 0.00018 -0.00045 -0.00018 0.00120 156 4XY 0.00037 0.00030 0.00061 0.00033 0.00001 157 4XZ 0.00088 0.00075 -0.00004 0.00037 0.00002 158 4YZ 0.00067 0.00020 0.00003 0.00025 0.00020 159 15 C 1S 0.00000 0.00000 0.00000 0.00010 0.00006 160 2S -0.00020 -0.00046 -0.00005 -0.00270 -0.00163 161 2PX 0.00001 -0.00027 0.00004 -0.00178 0.00000 162 2PY -0.00045 -0.00043 -0.00027 0.00009 -0.00165 163 2PZ -0.00007 -0.00015 0.00001 -0.00284 -0.00152 164 3S 0.00232 -0.00784 0.00025 -0.00575 0.00656 165 3PX 0.00015 -0.00131 0.00024 -0.00012 -0.00236 166 3PY 0.00083 -0.00408 -0.00075 0.00124 0.00290 167 3PZ 0.00081 -0.00037 -0.00042 -0.00479 -0.00073 168 4XX 0.00001 0.00000 -0.00001 -0.00005 0.00017 169 4YY 0.00005 0.00008 0.00003 0.00038 0.00006 170 4ZZ -0.00001 0.00001 0.00000 0.00004 -0.00014 171 4XY 0.00001 0.00009 0.00008 0.00026 0.00000 172 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00009 0.00004 0.00000 0.00005 0.00024 174 16 C 1S 0.00000 0.00000 0.00000 0.00018 0.00000 175 2S 0.00000 -0.00055 0.00000 -0.00251 0.00000 176 2PX -0.00025 0.00000 0.00000 0.00000 -0.00421 177 2PY 0.00000 -0.00120 0.00000 -0.00475 0.00000 178 2PZ 0.00000 0.00000 -0.00024 0.00000 0.00000 179 3S 0.00000 -0.00475 0.00000 -0.00608 0.00000 180 3PX -0.00421 0.00000 0.00000 0.00000 -0.01652 181 3PY 0.00000 -0.00194 0.00000 -0.00411 0.00000 182 3PZ 0.00000 0.00000 -0.00261 0.00000 0.00000 183 4XX 0.00000 -0.00001 0.00000 -0.00022 0.00000 184 4YY 0.00000 0.00040 0.00000 0.00080 0.00000 185 4ZZ 0.00000 -0.00002 0.00000 -0.00005 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 -0.00005 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 189 17 H 1S 0.00305 0.09119 0.00516 0.05175 0.00081 190 2S 0.00078 0.05326 0.00338 0.03044 -0.00109 191 18 H 1S -0.00035 0.00000 -0.00022 -0.00359 -0.00280 192 2S -0.00599 -0.00015 -0.00349 -0.01410 -0.01157 193 19 H 1S 0.00000 0.00000 0.00000 0.00014 0.00016 194 2S 0.00028 0.00020 0.00010 0.00191 0.00198 195 20 H 1S 0.00000 0.00000 0.00000 0.00012 0.00001 196 2S 0.00002 0.00049 0.00000 0.00188 0.00017 197 21 C 1S -0.00011 -0.00077 -0.00046 -0.00006 -0.00003 198 2S 0.00244 0.01452 0.00889 0.00588 0.00106 199 2PX 0.00028 0.00328 0.00315 0.00168 0.00054 200 2PY 0.00568 0.02276 0.02640 0.01304 0.00336 201 2PZ 0.00412 0.02073 0.00377 0.01279 0.00172 202 3S 0.00143 0.01982 0.00991 -0.01243 -0.00060 203 3PX 0.00294 0.00168 0.00193 -0.00008 0.00318 204 3PY 0.00407 0.00400 0.01756 0.00258 0.00289 205 3PZ 0.00133 0.01122 -0.00216 0.00530 0.00031 206 4XX 0.00003 -0.00033 -0.00029 -0.00141 -0.00015 207 4YY 0.00037 -0.00063 0.00108 0.00220 0.00022 208 4ZZ -0.00006 0.00041 -0.00028 -0.00001 0.00002 209 4XY 0.00046 0.00031 0.00054 0.00012 0.00059 210 4XZ 0.00016 0.00037 -0.00002 0.00004 0.00009 211 4YZ 0.00048 0.00153 0.00006 0.00071 0.00020 212 22 H 1S -0.00012 -0.00010 -0.00019 -0.00227 -0.00092 213 2S -0.00308 -0.00138 -0.00190 -0.01044 -0.00477 214 23 H 1S 0.00004 -0.00016 -0.00005 -0.00237 0.00022 215 2S 0.00020 -0.00222 -0.00269 -0.00857 0.00026 136 137 138 139 140 136 3PY 0.05500 137 3PZ 0.00000 0.08841 138 4XX 0.00000 0.00000 0.00154 139 4YY 0.00000 0.00000 -0.00027 0.00174 140 4ZZ 0.00000 0.00000 0.00007 -0.00014 0.00111 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00037 -0.00046 -0.00007 0.00001 0.00000 145 2S 0.00423 0.00539 0.00120 -0.00062 -0.00008 146 2PX 0.00509 0.01899 -0.00106 -0.00057 0.00026 147 2PY 0.00400 0.00229 0.00056 0.00003 0.00002 148 2PZ -0.00033 0.00303 0.00226 -0.00051 -0.00053 149 3S 0.00367 0.00515 0.00227 -0.00248 0.00087 150 3PX 0.00310 0.01573 -0.00134 -0.00055 0.00130 151 3PY 0.00588 0.00141 0.00047 -0.00021 -0.00016 152 3PZ -0.00171 0.01117 0.00229 -0.00075 -0.00091 153 4XX 0.00018 0.00145 -0.00004 -0.00003 0.00004 154 4YY -0.00025 -0.00054 -0.00002 0.00003 0.00000 155 4ZZ -0.00003 -0.00077 -0.00001 0.00001 -0.00001 156 4XY 0.00020 0.00011 0.00001 0.00000 -0.00005 157 4XZ 0.00008 0.00004 0.00001 -0.00004 -0.00001 158 4YZ -0.00003 0.00001 -0.00006 0.00000 -0.00001 159 15 C 1S 0.00008 0.00001 0.00000 0.00000 0.00000 160 2S -0.00202 -0.00027 0.00000 0.00004 0.00000 161 2PX 0.00076 -0.00024 -0.00002 0.00005 0.00001 162 2PY 0.00288 -0.00151 -0.00001 0.00013 -0.00001 163 2PZ -0.00306 -0.00016 0.00004 -0.00001 0.00000 164 3S -0.01062 -0.00054 0.00015 0.00030 -0.00016 165 3PX 0.00252 -0.00089 -0.00016 0.00013 0.00010 166 3PY 0.00037 -0.00195 -0.00009 0.00058 -0.00020 167 3PZ -0.00477 -0.00149 0.00040 -0.00021 -0.00011 168 4XX 0.00001 -0.00007 0.00000 0.00000 0.00000 169 4YY 0.00038 0.00003 0.00000 -0.00001 0.00000 170 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00000 171 4XY 0.00016 0.00017 0.00000 0.00000 0.00000 172 4XZ -0.00002 -0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00003 0.00003 0.00000 0.00000 0.00000 174 16 C 1S 0.00029 0.00000 0.00000 0.00000 0.00000 175 2S -0.00282 0.00000 0.00000 0.00010 0.00000 176 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PY -0.00194 0.00000 -0.00001 0.00040 -0.00002 178 2PZ 0.00000 -0.00261 0.00000 0.00000 0.00000 179 3S -0.00411 0.00000 -0.00022 0.00080 -0.00005 180 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PY 0.00166 0.00000 -0.00042 0.00116 -0.00010 182 3PZ 0.00000 -0.00772 0.00000 0.00000 0.00000 183 4XX -0.00042 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00116 0.00000 0.00000 0.00000 0.00000 185 4ZZ -0.00010 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 189 17 H 1S 0.03928 0.00303 -0.00111 0.00585 -0.00102 190 2S 0.03043 0.00352 -0.00199 0.00496 -0.00177 191 18 H 1S 0.00013 -0.00131 0.00002 0.00000 0.00002 192 2S 0.00026 -0.00395 0.00002 -0.00004 0.00027 193 19 H 1S 0.00003 0.00006 0.00000 0.00000 0.00000 194 2S 0.00067 0.00051 0.00000 -0.00001 -0.00001 195 20 H 1S 0.00015 0.00001 0.00000 0.00000 0.00000 196 2S 0.00224 0.00001 0.00000 -0.00003 0.00001 197 21 C 1S -0.00087 -0.00018 0.00000 -0.00003 -0.00001 198 2S 0.01086 0.00390 -0.00033 0.00075 0.00020 199 2PX 0.00098 0.00120 0.00003 0.00026 0.00014 200 2PY 0.00227 0.01506 -0.00033 -0.00092 0.00052 201 2PZ 0.00916 -0.00138 -0.00039 0.00152 -0.00052 202 3S 0.01068 0.00366 -0.00030 0.00030 0.00053 203 3PX 0.00006 0.00122 -0.00016 0.00011 0.00012 204 3PY -0.00194 0.01319 -0.00044 -0.00073 0.00074 205 3PZ 0.00324 -0.00440 0.00019 0.00054 -0.00086 206 4XX -0.00062 -0.00026 0.00002 -0.00005 0.00001 207 4YY -0.00030 0.00082 -0.00004 0.00008 -0.00010 208 4ZZ 0.00039 -0.00046 -0.00001 -0.00004 0.00002 209 4XY 0.00003 0.00019 0.00000 -0.00002 -0.00002 210 4XZ 0.00005 0.00000 0.00000 0.00001 -0.00002 211 4YZ 0.00007 0.00001 -0.00003 -0.00009 0.00001 212 22 H 1S -0.00071 -0.00109 0.00003 -0.00001 0.00000 213 2S -0.00363 -0.00119 0.00052 -0.00026 -0.00007 214 23 H 1S -0.00101 -0.00139 0.00000 -0.00001 0.00009 215 2S -0.00372 -0.00529 0.00004 -0.00028 0.00068 141 142 143 144 145 141 4XY 0.00062 142 4XZ 0.00000 0.00068 143 4YZ 0.00000 0.00000 0.00095 144 14 C 1S -0.00005 -0.00013 -0.00002 2.05350 145 2S 0.00053 0.00143 0.00030 -0.01403 0.33137 146 2PX 0.00043 0.00111 0.00074 0.00000 0.00000 147 2PY 0.00039 0.00043 0.00022 0.00000 0.00000 148 2PZ 0.00076 -0.00001 0.00004 0.00000 0.00000 149 3S 0.00011 0.00045 0.00002 -0.03069 0.20794 150 3PX 0.00000 0.00003 0.00008 0.00000 0.00000 151 3PY 0.00011 0.00008 0.00001 0.00000 0.00000 152 3PZ 0.00009 0.00008 0.00002 0.00000 0.00000 153 4XX -0.00004 0.00000 -0.00002 -0.00122 -0.00487 154 4YY 0.00000 -0.00003 0.00000 -0.00138 -0.00167 155 4ZZ -0.00003 -0.00001 -0.00001 -0.00116 -0.00587 156 4XY -0.00002 -0.00002 -0.00002 0.00000 0.00000 157 4XZ -0.00001 0.00005 -0.00002 0.00000 0.00000 158 4YZ -0.00002 0.00001 -0.00001 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00051 160 2S 0.00003 0.00000 0.00003 -0.00051 0.01028 161 2PX 0.00000 0.00001 0.00003 0.00000 0.00000 162 2PY 0.00014 0.00000 0.00009 -0.00268 0.04097 163 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 164 3S 0.00016 -0.00001 0.00015 -0.00011 0.01191 165 3PX 0.00000 0.00001 0.00007 0.00000 0.00000 166 3PY 0.00017 -0.00001 0.00013 -0.00143 0.02198 167 3PZ 0.00004 0.00002 0.00001 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00050 169 4YY 0.00001 0.00000 0.00000 -0.00028 0.00379 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00048 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 -0.00023 176 2PX 0.00000 0.00000 0.00000 0.00000 -0.00020 177 2PY 0.00000 0.00000 0.00000 0.00000 -0.00046 178 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00005 179 3S 0.00000 0.00000 0.00000 0.00010 -0.00270 180 3PX -0.00005 0.00000 0.00000 0.00006 -0.00163 181 3PY 0.00000 0.00000 0.00000 0.00008 -0.00202 182 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00027 183 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 185 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00003 189 17 H 1S 0.00034 -0.00001 0.00097 0.00000 -0.00014 190 2S 0.00007 -0.00001 0.00020 0.00013 -0.00188 191 18 H 1S 0.00001 0.00002 0.00000 -0.00209 0.03229 192 2S 0.00003 0.00001 0.00003 -0.00126 0.01156 193 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 194 2S -0.00001 0.00000 -0.00001 0.00017 -0.00239 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 196 2S 0.00000 0.00000 0.00000 0.00000 0.00016 197 21 C 1S -0.00002 -0.00001 -0.00008 0.00000 0.00000 198 2S 0.00030 0.00012 0.00138 0.00000 -0.00015 199 2PX 0.00023 0.00027 0.00035 0.00000 -0.00023 200 2PY 0.00022 0.00014 0.00131 0.00000 -0.00004 201 2PZ 0.00036 0.00002 0.00029 0.00000 -0.00032 202 3S 0.00022 0.00004 0.00091 0.00016 -0.00284 203 3PX 0.00023 0.00023 0.00009 0.00010 -0.00137 204 3PY 0.00003 0.00001 0.00012 0.00002 -0.00059 205 3PZ 0.00010 0.00001 -0.00006 0.00020 -0.00300 206 4XX 0.00000 0.00000 -0.00001 0.00000 0.00002 207 4YY 0.00000 -0.00001 -0.00003 0.00000 0.00000 208 4ZZ -0.00001 0.00000 -0.00001 0.00000 0.00000 209 4XY 0.00000 -0.00001 0.00002 0.00000 0.00001 210 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00003 211 4YZ 0.00001 0.00001 0.00004 0.00000 0.00001 212 22 H 1S 0.00002 0.00003 0.00000 0.00000 0.00000 213 2S 0.00001 0.00013 -0.00005 0.00000 0.00018 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 0.00000 215 2S 0.00002 0.00004 0.00001 0.00000 -0.00004 146 147 148 149 150 146 2PX 0.37396 147 2PY 0.00000 0.41906 148 2PZ 0.00000 0.00000 0.37852 149 3S 0.00000 0.00000 0.00000 0.26432 150 3PX 0.08650 0.00000 0.00000 0.00000 0.08668 151 3PY 0.00000 0.07751 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.10543 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00234 0.00000 154 4YY 0.00000 0.00000 0.00000 -0.00098 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00365 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 -0.00268 0.00000 -0.00011 0.00000 160 2S 0.00000 0.04097 0.00000 0.01191 0.00000 161 2PX 0.01044 0.00000 0.00000 0.00000 0.01693 162 2PY 0.00000 0.09966 0.00000 0.02891 0.00000 163 2PZ 0.00000 0.00000 0.01328 0.00000 0.00000 164 3S 0.00000 0.02891 0.00000 -0.00801 0.00000 165 3PX 0.01693 0.00000 0.00000 0.00000 0.01839 166 3PY 0.00000 0.01817 0.00000 0.00597 0.00000 167 3PZ 0.00000 0.00000 0.02477 0.00000 0.00000 168 4XX 0.00000 -0.00124 0.00000 -0.00166 0.00000 169 4YY 0.00000 0.00251 0.00000 0.00355 0.00000 170 4ZZ 0.00000 -0.00107 0.00000 -0.00106 0.00000 171 4XY 0.00207 0.00000 0.00000 0.00000 0.00077 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00216 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00005 -0.00004 175 2S -0.00014 -0.00045 -0.00010 -0.00233 -0.00014 176 2PX 0.00001 -0.00045 -0.00007 0.00232 0.00015 177 2PY -0.00027 -0.00043 -0.00015 -0.00784 -0.00131 178 2PZ 0.00004 -0.00027 0.00001 0.00025 0.00024 179 3S -0.00178 0.00009 -0.00284 -0.00575 -0.00012 180 3PX 0.00000 -0.00165 -0.00152 0.00656 -0.00236 181 3PY 0.00076 0.00288 -0.00306 -0.01062 0.00252 182 3PZ -0.00024 -0.00151 -0.00016 -0.00054 -0.00089 183 4XX -0.00002 -0.00001 0.00004 0.00015 -0.00016 184 4YY 0.00005 0.00013 -0.00001 0.00030 0.00013 185 4ZZ 0.00001 -0.00001 0.00000 -0.00016 0.00010 186 4XY 0.00000 0.00014 0.00002 0.00016 0.00000 187 4XZ 0.00001 0.00000 0.00000 -0.00001 0.00001 188 4YZ 0.00003 0.00009 0.00000 0.00015 0.00007 189 17 H 1S -0.00020 -0.00026 -0.00010 -0.00389 -0.00182 190 2S -0.00198 -0.00394 -0.00125 -0.01349 -0.00444 191 18 H 1S 0.03353 0.03329 0.03206 0.04923 0.01231 192 2S 0.02102 0.02026 0.02052 0.04172 0.00872 193 19 H 1S -0.00006 -0.00049 -0.00004 -0.00377 0.00007 194 2S -0.00094 -0.00739 -0.00098 -0.01524 0.00047 195 20 H 1S 0.00000 0.00000 0.00000 0.00017 0.00003 196 2S 0.00012 0.00049 -0.00006 0.00219 0.00082 197 21 C 1S 0.00000 0.00000 0.00000 0.00013 0.00006 198 2S -0.00009 -0.00005 -0.00036 -0.00244 -0.00021 199 2PX 0.00000 -0.00002 -0.00047 -0.00250 0.00016 200 2PY -0.00020 0.00000 -0.00003 0.00149 0.00009 201 2PZ -0.00051 -0.00012 -0.00008 -0.00394 -0.00257 202 3S -0.00245 -0.00208 -0.00111 -0.00750 -0.00378 203 3PX -0.00028 -0.00027 0.00011 -0.00397 -0.00008 204 3PY -0.00159 -0.00027 -0.00084 0.00333 -0.00032 205 3PZ -0.00587 -0.00185 0.00235 -0.00673 -0.00957 206 4XX 0.00000 0.00000 0.00008 0.00033 -0.00001 207 4YY -0.00001 0.00000 -0.00001 -0.00014 -0.00014 208 4ZZ 0.00008 -0.00001 -0.00003 -0.00002 0.00041 209 4XY 0.00000 0.00000 0.00005 0.00001 -0.00004 210 4XZ 0.00002 -0.00001 0.00012 0.00008 -0.00001 211 4YZ 0.00003 0.00000 0.00000 0.00008 0.00009 212 22 H 1S 0.00000 0.00000 0.00000 0.00013 0.00002 213 2S 0.00002 -0.00001 0.00045 0.00188 -0.00029 214 23 H 1S 0.00000 0.00000 -0.00002 0.00003 0.00027 215 2S 0.00010 0.00003 -0.00055 0.00084 0.00045 151 152 153 154 155 151 3PY 0.05455 152 3PZ 0.00000 0.11049 153 4XX 0.00000 0.00000 0.00095 154 4YY 0.00000 0.00000 -0.00012 0.00112 155 4ZZ 0.00000 0.00000 0.00008 -0.00004 0.00080 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00143 0.00000 0.00000 -0.00028 0.00000 160 2S 0.02198 0.00000 -0.00050 0.00379 -0.00048 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01817 0.00000 -0.00124 0.00251 -0.00107 163 2PZ 0.00000 0.02477 0.00000 0.00000 0.00000 164 3S 0.00597 0.00000 -0.00166 0.00355 -0.00106 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00220 0.00000 -0.00154 0.00086 -0.00089 167 3PZ 0.00000 0.04207 0.00000 0.00000 0.00000 168 4XX -0.00154 0.00000 0.00002 -0.00003 0.00001 169 4YY 0.00086 0.00000 -0.00003 -0.00008 -0.00004 170 4ZZ -0.00089 0.00000 0.00001 -0.00004 0.00002 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00100 0.00000 0.00000 0.00000 174 16 C 1S 0.00007 -0.00001 0.00000 0.00000 0.00000 175 2S -0.00249 -0.00013 0.00000 0.00004 0.00000 176 2PX 0.00083 0.00081 0.00001 0.00005 -0.00001 177 2PY -0.00408 -0.00037 0.00000 0.00008 0.00001 178 2PZ -0.00075 -0.00042 -0.00001 0.00003 0.00000 179 3S 0.00124 -0.00479 -0.00005 0.00038 0.00004 180 3PX 0.00290 -0.00073 0.00017 0.00006 -0.00014 181 3PY 0.00037 -0.00477 0.00001 0.00038 -0.00011 182 3PZ -0.00195 -0.00149 -0.00007 0.00003 0.00006 183 4XX -0.00009 0.00040 0.00000 0.00000 0.00000 184 4YY 0.00058 -0.00021 0.00000 -0.00001 0.00000 185 4ZZ -0.00020 -0.00011 0.00000 0.00000 0.00000 186 4XY 0.00017 0.00004 0.00000 0.00001 0.00000 187 4XZ -0.00001 0.00002 0.00000 0.00000 0.00000 188 4YZ 0.00013 0.00001 0.00000 0.00000 0.00000 189 17 H 1S -0.00026 -0.00108 -0.00001 0.00004 0.00000 190 2S -0.00136 -0.00280 -0.00031 0.00058 -0.00004 191 18 H 1S 0.01321 0.01384 -0.00001 -0.00034 0.00021 192 2S 0.00979 0.01225 0.00063 -0.00034 0.00095 193 19 H 1S -0.00364 0.00007 0.00000 0.00001 0.00000 194 2S -0.01304 -0.00051 0.00016 -0.00032 0.00018 195 20 H 1S 0.00032 -0.00004 0.00000 0.00000 0.00000 196 2S 0.00324 -0.00068 0.00000 -0.00002 -0.00001 197 21 C 1S 0.00001 0.00017 0.00000 0.00000 0.00000 198 2S -0.00010 -0.00321 0.00001 0.00000 0.00002 199 2PX 0.00039 -0.00314 0.00000 -0.00001 0.00005 200 2PY -0.00117 0.00068 0.00001 0.00000 0.00002 201 2PZ 0.00017 -0.00035 0.00004 -0.00001 0.00004 202 3S -0.00273 -0.00073 0.00015 -0.00016 0.00034 203 3PX 0.00026 -0.00099 -0.00002 -0.00009 0.00029 204 3PY -0.00335 0.00065 0.00000 -0.00002 0.00011 205 3PZ -0.00115 0.00369 0.00021 -0.00019 0.00030 206 4XX -0.00005 0.00056 0.00000 0.00000 0.00000 207 4YY 0.00003 -0.00015 0.00000 0.00000 0.00000 208 4ZZ -0.00003 -0.00025 0.00000 0.00000 0.00000 209 4XY 0.00001 0.00010 0.00000 0.00000 0.00000 210 4XZ -0.00003 0.00022 0.00000 0.00000 0.00000 211 4YZ -0.00004 -0.00002 0.00000 0.00000 0.00000 212 22 H 1S -0.00003 0.00021 0.00000 0.00000 0.00000 213 2S -0.00020 0.00284 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00002 -0.00120 0.00000 0.00000 0.00000 215 2S 0.00005 -0.00180 0.00000 0.00000 -0.00003 156 157 158 159 160 156 4XY 0.00112 157 4XZ 0.00000 0.00077 158 4YZ 0.00000 0.00000 0.00107 159 15 C 1S 0.00000 0.00000 0.00000 2.05350 160 2S 0.00000 0.00000 0.00000 -0.01403 0.33137 161 2PX 0.00207 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00216 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.03069 0.20794 165 3PX 0.00077 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00100 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00122 -0.00487 169 4YY 0.00000 0.00000 0.00000 -0.00138 -0.00167 170 4ZZ 0.00000 0.00000 0.00000 -0.00116 -0.00587 171 4XY -0.00012 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 174 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00049 175 2S 0.00004 0.00000 0.00002 -0.00045 0.01003 176 2PX 0.00001 0.00000 0.00009 -0.00153 0.02457 177 2PY 0.00009 0.00001 0.00004 -0.00024 0.00323 178 2PZ 0.00008 0.00000 0.00000 -0.00083 0.01296 179 3S 0.00026 0.00000 0.00005 -0.00050 0.01227 180 3PX 0.00000 0.00000 0.00024 -0.00113 0.01519 181 3PY 0.00016 -0.00002 0.00003 -0.00037 0.00423 182 3PZ 0.00017 -0.00001 0.00003 -0.00046 0.00539 183 4XX 0.00000 0.00000 0.00000 -0.00007 0.00120 184 4YY 0.00000 0.00000 0.00000 0.00001 -0.00062 185 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00008 186 4XY 0.00000 0.00000 0.00000 -0.00005 0.00053 187 4XZ 0.00000 0.00000 0.00000 -0.00013 0.00143 188 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00030 189 17 H 1S 0.00003 -0.00001 0.00003 0.00000 0.00000 190 2S 0.00005 -0.00008 0.00012 0.00000 0.00016 191 18 H 1S 0.00199 0.00152 0.00192 0.00000 -0.00014 192 2S 0.00042 0.00024 0.00042 0.00017 -0.00239 193 19 H 1S 0.00003 0.00000 0.00002 -0.00209 0.03229 194 2S 0.00014 0.00001 0.00013 -0.00126 0.01156 195 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 196 2S -0.00001 0.00000 0.00000 0.00013 -0.00188 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00001 0.00002 0.00000 0.00000 -0.00015 199 2PX 0.00001 0.00003 0.00001 0.00000 -0.00023 200 2PY 0.00000 0.00003 0.00000 0.00000 -0.00004 201 2PZ 0.00002 0.00009 0.00002 0.00000 -0.00032 202 3S 0.00004 0.00013 0.00005 0.00016 -0.00284 203 3PX 0.00001 0.00004 0.00003 0.00010 -0.00137 204 3PY -0.00006 0.00006 -0.00004 0.00002 -0.00059 205 3PZ 0.00001 0.00015 0.00008 0.00020 -0.00300 206 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00001 0.00000 0.00000 0.00018 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00002 -0.00001 0.00000 -0.00004 161 162 163 164 165 161 2PX 0.37396 162 2PY 0.00000 0.41906 163 2PZ 0.00000 0.00000 0.37852 164 3S 0.00000 0.00000 0.00000 0.26432 165 3PX 0.08650 0.00000 0.00000 0.00000 0.08668 166 3PY 0.00000 0.07751 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.10543 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00234 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00098 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00365 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S -0.00161 -0.00029 -0.00069 0.00086 -0.00057 175 2S 0.02420 0.00507 0.01081 0.00257 0.01205 176 2PX 0.01112 0.01117 0.04405 0.01025 -0.00048 177 2PY 0.00781 -0.00073 0.00278 0.00561 0.00358 178 2PZ 0.04059 0.00541 -0.00034 0.00959 0.01834 179 3S 0.03049 0.00116 0.00463 -0.01656 0.02074 180 3PX -0.00002 0.00500 0.02362 -0.00450 0.00734 181 3PY 0.00509 0.00400 -0.00033 0.00367 0.00310 182 3PZ 0.01899 0.00229 0.00303 0.00515 0.01573 183 4XX -0.00106 0.00056 0.00226 0.00227 -0.00134 184 4YY -0.00057 0.00003 -0.00051 -0.00248 -0.00055 185 4ZZ 0.00026 0.00002 -0.00053 0.00087 0.00130 186 4XY 0.00043 0.00039 0.00076 0.00011 0.00000 187 4XZ 0.00111 0.00043 -0.00001 0.00045 0.00003 188 4YZ 0.00074 0.00022 0.00004 0.00002 0.00008 189 17 H 1S 0.00000 0.00000 0.00000 0.00017 0.00003 190 2S 0.00012 0.00049 -0.00006 0.00219 0.00082 191 18 H 1S -0.00006 -0.00049 -0.00004 -0.00377 0.00007 192 2S -0.00094 -0.00739 -0.00098 -0.01524 0.00047 193 19 H 1S 0.03353 0.03329 0.03206 0.04923 0.01231 194 2S 0.02102 0.02026 0.02052 0.04172 0.00872 195 20 H 1S -0.00020 -0.00026 -0.00010 -0.00389 -0.00182 196 2S -0.00198 -0.00394 -0.00125 -0.01349 -0.00444 197 21 C 1S 0.00000 0.00000 0.00000 0.00013 0.00006 198 2S -0.00009 -0.00005 -0.00036 -0.00244 -0.00021 199 2PX 0.00000 -0.00002 -0.00047 -0.00250 0.00016 200 2PY -0.00020 0.00000 -0.00003 0.00149 0.00009 201 2PZ -0.00051 -0.00012 -0.00008 -0.00394 -0.00257 202 3S -0.00245 -0.00208 -0.00111 -0.00750 -0.00378 203 3PX -0.00028 -0.00027 0.00011 -0.00397 -0.00008 204 3PY -0.00159 -0.00027 -0.00084 0.00333 -0.00032 205 3PZ -0.00587 -0.00185 0.00235 -0.00673 -0.00957 206 4XX 0.00000 0.00000 0.00008 0.00033 -0.00001 207 4YY -0.00001 0.00000 -0.00001 -0.00014 -0.00014 208 4ZZ 0.00008 -0.00001 -0.00003 -0.00002 0.00041 209 4XY 0.00000 0.00000 0.00005 0.00001 -0.00004 210 4XZ 0.00002 -0.00001 0.00012 0.00008 -0.00001 211 4YZ 0.00003 0.00000 0.00000 0.00008 0.00009 212 22 H 1S 0.00000 0.00000 0.00000 0.00013 0.00002 213 2S 0.00002 -0.00001 0.00045 0.00188 -0.00029 214 23 H 1S 0.00000 0.00000 -0.00002 0.00003 0.00027 215 2S 0.00010 0.00003 -0.00055 0.00084 0.00045 166 167 168 169 170 166 3PY 0.05455 167 3PZ 0.00000 0.11049 168 4XX 0.00000 0.00000 0.00095 169 4YY 0.00000 0.00000 -0.00012 0.00112 170 4ZZ 0.00000 0.00000 0.00008 -0.00004 0.00080 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 C 1S -0.00027 0.00043 -0.00006 0.00001 -0.00001 175 2S 0.00199 0.00072 0.00108 -0.00059 0.00013 176 2PX 0.00775 0.01847 -0.00085 -0.00079 0.00052 177 2PY 0.00381 0.00062 0.00062 0.00004 0.00018 178 2PZ 0.00299 0.00380 0.00157 -0.00050 -0.00045 179 3S -0.00059 -0.01150 0.00173 -0.00122 -0.00018 180 3PX 0.00626 0.01675 -0.00119 -0.00066 0.00120 181 3PY 0.00588 -0.00171 0.00018 -0.00025 -0.00003 182 3PZ 0.00141 0.01117 0.00145 -0.00054 -0.00077 183 4XX 0.00047 0.00229 -0.00004 -0.00002 -0.00001 184 4YY -0.00021 -0.00075 -0.00003 0.00003 0.00001 185 4ZZ -0.00016 -0.00091 0.00004 0.00000 -0.00001 186 4XY 0.00011 0.00009 -0.00004 0.00000 -0.00003 187 4XZ 0.00008 0.00008 0.00000 -0.00003 -0.00001 188 4YZ 0.00001 0.00002 -0.00002 0.00000 -0.00001 189 17 H 1S 0.00032 -0.00004 0.00000 0.00000 0.00000 190 2S 0.00324 -0.00068 0.00000 -0.00002 -0.00001 191 18 H 1S -0.00364 0.00007 0.00000 0.00001 0.00000 192 2S -0.01304 -0.00051 0.00016 -0.00032 0.00018 193 19 H 1S 0.01321 0.01384 -0.00001 -0.00034 0.00021 194 2S 0.00979 0.01225 0.00063 -0.00034 0.00095 195 20 H 1S -0.00026 -0.00108 -0.00001 0.00004 0.00000 196 2S -0.00136 -0.00280 -0.00031 0.00058 -0.00004 197 21 C 1S 0.00001 0.00017 0.00000 0.00000 0.00000 198 2S -0.00010 -0.00321 0.00001 0.00000 0.00002 199 2PX 0.00039 -0.00314 0.00000 -0.00001 0.00005 200 2PY -0.00117 0.00068 0.00001 0.00000 0.00002 201 2PZ 0.00017 -0.00035 0.00004 -0.00001 0.00004 202 3S -0.00273 -0.00073 0.00015 -0.00016 0.00034 203 3PX 0.00026 -0.00099 -0.00002 -0.00009 0.00029 204 3PY -0.00335 0.00065 0.00000 -0.00002 0.00011 205 3PZ -0.00115 0.00369 0.00021 -0.00019 0.00030 206 4XX -0.00005 0.00056 0.00000 0.00000 0.00000 207 4YY 0.00003 -0.00015 0.00000 0.00000 0.00000 208 4ZZ -0.00003 -0.00025 0.00000 0.00000 0.00000 209 4XY 0.00001 0.00010 0.00000 0.00000 0.00000 210 4XZ -0.00003 0.00022 0.00000 0.00000 0.00000 211 4YZ -0.00004 -0.00002 0.00000 0.00000 0.00000 212 22 H 1S -0.00003 0.00021 0.00000 0.00000 0.00000 213 2S -0.00020 0.00284 -0.00001 0.00000 -0.00001 214 23 H 1S 0.00002 -0.00120 0.00000 0.00000 0.00000 215 2S 0.00005 -0.00180 0.00000 0.00000 -0.00003 171 172 173 174 175 171 4XY 0.00112 172 4XZ 0.00000 0.00077 173 4YZ 0.00000 0.00000 0.00107 174 16 C 1S -0.00005 -0.00012 -0.00003 2.05588 175 2S 0.00055 0.00128 0.00031 -0.01390 0.33136 176 2PX 0.00037 0.00088 0.00067 0.00000 0.00000 177 2PY 0.00030 0.00075 0.00020 0.00000 0.00000 178 2PZ 0.00061 -0.00004 0.00003 0.00000 0.00000 179 3S 0.00033 0.00037 0.00025 -0.03805 0.25401 180 3PX 0.00001 0.00002 0.00020 0.00000 0.00000 181 3PY 0.00020 0.00008 -0.00003 0.00000 0.00000 182 3PZ 0.00011 0.00004 0.00001 0.00000 0.00000 183 4XX 0.00001 0.00001 -0.00006 -0.00095 -0.00812 184 4YY 0.00000 -0.00004 0.00000 -0.00152 0.00216 185 4ZZ -0.00005 -0.00001 -0.00001 -0.00101 -0.00708 186 4XY -0.00002 -0.00001 -0.00002 0.00000 0.00000 187 4XZ -0.00002 0.00005 0.00001 0.00000 0.00000 188 4YZ -0.00002 -0.00002 -0.00001 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00001 0.00000 0.00000 0.00000 0.00017 191 18 H 1S 0.00003 0.00000 0.00002 0.00000 0.00000 192 2S 0.00014 0.00001 0.00013 -0.00001 0.00018 193 19 H 1S 0.00199 0.00152 0.00192 0.00000 -0.00014 194 2S 0.00042 0.00024 0.00042 0.00020 -0.00277 195 20 H 1S 0.00003 -0.00001 0.00003 -0.00213 0.03297 196 2S 0.00005 -0.00008 0.00012 -0.00137 0.01288 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 198 2S 0.00001 0.00002 0.00000 -0.00020 0.00539 199 2PX 0.00001 0.00003 0.00001 -0.00008 0.00134 200 2PY 0.00000 0.00003 0.00000 -0.00086 0.01753 201 2PZ 0.00002 0.00009 0.00002 -0.00053 0.01024 202 3S 0.00004 0.00013 0.00005 0.00024 0.00296 203 3PX 0.00001 0.00004 0.00003 -0.00002 0.00076 204 3PY -0.00006 0.00006 -0.00004 -0.00071 0.01147 205 3PZ 0.00001 0.00015 0.00008 -0.00049 0.00732 206 4XX 0.00000 0.00000 0.00000 0.00000 -0.00028 207 4YY 0.00000 0.00000 0.00000 -0.00005 0.00098 208 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 209 4XY 0.00000 0.00000 0.00000 -0.00002 0.00028 210 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00019 211 4YZ 0.00000 0.00000 0.00000 -0.00008 0.00144 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00009 213 2S 0.00000 -0.00001 0.00000 0.00013 -0.00182 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 215 2S 0.00000 -0.00002 -0.00001 0.00020 -0.00344 176 177 178 179 180 176 2PX 0.36493 177 2PY 0.00000 0.42724 178 2PZ 0.00000 0.00000 0.35262 179 3S 0.00000 0.00000 0.00000 0.34826 180 3PX 0.10894 0.00000 0.00000 0.00000 0.12345 181 3PY 0.00000 0.07727 0.00000 0.00000 0.00000 182 3PZ 0.00000 0.00000 0.09448 0.00000 0.00000 183 4XX 0.00000 0.00000 0.00000 -0.00815 0.00000 184 4YY 0.00000 0.00000 0.00000 0.00396 0.00000 185 4ZZ 0.00000 0.00000 0.00000 -0.00504 0.00000 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00012 0.00001 190 2S 0.00002 0.00049 0.00000 0.00188 0.00017 191 18 H 1S 0.00000 0.00000 0.00000 0.00014 0.00016 192 2S 0.00028 0.00020 0.00010 0.00191 0.00198 193 19 H 1S -0.00035 0.00000 -0.00022 -0.00359 -0.00280 194 2S -0.00599 -0.00015 -0.00349 -0.01410 -0.01157 195 20 H 1S 0.00305 0.09119 0.00516 0.05175 0.00082 196 2S 0.00078 0.05326 0.00338 0.03044 -0.00109 197 21 C 1S -0.00011 -0.00077 -0.00046 -0.00006 -0.00003 198 2S 0.00244 0.01452 0.00889 0.00588 0.00106 199 2PX 0.00028 0.00328 0.00315 0.00168 0.00054 200 2PY 0.00568 0.02276 0.02640 0.01304 0.00336 201 2PZ 0.00412 0.02073 0.00377 0.01279 0.00172 202 3S 0.00143 0.01982 0.00991 -0.01243 -0.00060 203 3PX 0.00294 0.00168 0.00193 -0.00008 0.00318 204 3PY 0.00407 0.00400 0.01756 0.00258 0.00289 205 3PZ 0.00133 0.01122 -0.00216 0.00530 0.00031 206 4XX 0.00003 -0.00033 -0.00029 -0.00141 -0.00015 207 4YY 0.00037 -0.00063 0.00108 0.00220 0.00022 208 4ZZ -0.00006 0.00041 -0.00028 -0.00001 0.00002 209 4XY 0.00046 0.00031 0.00054 0.00012 0.00059 210 4XZ 0.00016 0.00037 -0.00002 0.00004 0.00009 211 4YZ 0.00048 0.00153 0.00006 0.00071 0.00020 212 22 H 1S -0.00012 -0.00010 -0.00019 -0.00227 -0.00092 213 2S -0.00308 -0.00138 -0.00190 -0.01044 -0.00477 214 23 H 1S 0.00004 -0.00016 -0.00005 -0.00237 0.00022 215 2S 0.00020 -0.00222 -0.00269 -0.00857 0.00026 181 182 183 184 185 181 3PY 0.05500 182 3PZ 0.00000 0.08841 183 4XX 0.00000 0.00000 0.00154 184 4YY 0.00000 0.00000 -0.00027 0.00174 185 4ZZ 0.00000 0.00000 0.00007 -0.00014 0.00111 186 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00015 0.00001 0.00000 0.00000 0.00000 190 2S 0.00224 0.00001 0.00000 -0.00003 0.00001 191 18 H 1S 0.00003 0.00006 0.00000 0.00000 0.00000 192 2S 0.00067 0.00051 0.00000 -0.00001 -0.00001 193 19 H 1S 0.00013 -0.00131 0.00002 0.00000 0.00002 194 2S 0.00026 -0.00395 0.00002 -0.00004 0.00027 195 20 H 1S 0.03928 0.00303 -0.00111 0.00585 -0.00102 196 2S 0.03043 0.00352 -0.00199 0.00496 -0.00177 197 21 C 1S -0.00087 -0.00018 0.00000 -0.00003 -0.00001 198 2S 0.01086 0.00390 -0.00033 0.00075 0.00020 199 2PX 0.00098 0.00120 0.00003 0.00026 0.00014 200 2PY 0.00227 0.01506 -0.00033 -0.00092 0.00052 201 2PZ 0.00916 -0.00138 -0.00039 0.00152 -0.00052 202 3S 0.01068 0.00366 -0.00030 0.00030 0.00053 203 3PX 0.00006 0.00122 -0.00016 0.00011 0.00012 204 3PY -0.00194 0.01319 -0.00044 -0.00073 0.00074 205 3PZ 0.00324 -0.00440 0.00019 0.00054 -0.00086 206 4XX -0.00062 -0.00026 0.00002 -0.00005 0.00001 207 4YY -0.00030 0.00082 -0.00004 0.00008 -0.00010 208 4ZZ 0.00039 -0.00046 -0.00001 -0.00004 0.00002 209 4XY 0.00003 0.00019 0.00000 -0.00002 -0.00002 210 4XZ 0.00005 0.00000 0.00000 0.00001 -0.00002 211 4YZ 0.00007 0.00001 -0.00003 -0.00009 0.00001 212 22 H 1S -0.00071 -0.00109 0.00003 -0.00001 0.00000 213 2S -0.00363 -0.00119 0.00052 -0.00026 -0.00007 214 23 H 1S -0.00101 -0.00139 0.00000 -0.00001 0.00009 215 2S -0.00372 -0.00529 0.00004 -0.00028 0.00068 186 187 188 189 190 186 4XY 0.00062 187 4XZ 0.00000 0.00068 188 4YZ 0.00000 0.00000 0.00095 189 17 H 1S 0.00000 0.00000 0.00000 0.21329 190 2S 0.00000 0.00000 0.00000 0.10023 0.13687 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00041 192 2S -0.00001 0.00000 -0.00001 -0.00043 -0.00263 193 19 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 194 2S 0.00003 0.00001 0.00003 0.00000 -0.00010 195 20 H 1S 0.00034 -0.00001 0.00097 0.00000 0.00000 196 2S 0.00007 -0.00001 0.00020 0.00000 -0.00012 197 21 C 1S -0.00002 -0.00001 -0.00008 0.00000 0.00009 198 2S 0.00030 0.00012 0.00138 -0.00008 -0.00149 199 2PX 0.00023 0.00027 0.00035 0.00000 -0.00004 200 2PY 0.00022 0.00014 0.00131 -0.00037 -0.00661 201 2PZ 0.00036 0.00002 0.00029 -0.00003 -0.00044 202 3S 0.00022 0.00004 0.00091 -0.00282 -0.00949 203 3PX 0.00023 0.00023 0.00009 -0.00007 -0.00016 204 3PY 0.00003 0.00001 0.00012 -0.00375 -0.01213 205 3PZ 0.00010 0.00001 -0.00006 -0.00069 -0.00226 206 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00004 207 4YY 0.00000 -0.00001 -0.00003 0.00005 0.00041 208 4ZZ -0.00001 0.00000 -0.00001 0.00000 -0.00009 209 4XY 0.00000 -0.00001 0.00002 0.00000 -0.00001 210 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 211 4YZ 0.00001 0.00001 0.00004 -0.00001 -0.00013 212 22 H 1S 0.00002 0.00003 0.00000 0.00000 -0.00012 213 2S 0.00001 0.00013 -0.00005 -0.00015 -0.00084 214 23 H 1S 0.00000 0.00001 0.00004 0.00000 -0.00004 215 2S 0.00002 0.00004 0.00001 -0.00003 -0.00036 191 192 193 194 195 191 18 H 1S 0.21483 192 2S 0.10767 0.14590 193 19 H 1S 0.00000 -0.00039 0.21483 194 2S -0.00039 -0.00245 0.10767 0.14590 195 20 H 1S 0.00000 0.00000 0.00000 -0.00043 0.21329 196 2S 0.00000 -0.00010 -0.00041 -0.00263 0.10023 197 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00012 0.00000 0.00012 -0.00008 199 2PX 0.00000 0.00012 0.00000 0.00012 0.00000 200 2PY 0.00000 0.00014 0.00000 0.00014 -0.00037 201 2PZ 0.00000 0.00025 0.00000 0.00025 -0.00003 202 3S 0.00012 0.00181 0.00012 0.00181 -0.00282 203 3PX 0.00002 0.00054 0.00002 0.00054 -0.00007 204 3PY 0.00010 0.00122 0.00010 0.00122 -0.00375 205 3PZ 0.00016 0.00183 0.00016 0.00183 -0.00069 206 4XX 0.00000 -0.00001 0.00000 -0.00001 0.00000 207 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 208 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 4XY 0.00000 -0.00001 0.00000 -0.00001 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00011 0.00000 -0.00011 -0.00015 214 23 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 215 2S 0.00000 -0.00016 0.00000 -0.00016 -0.00003 196 197 198 199 200 196 2S 0.13687 197 21 C 1S 0.00009 2.05183 198 2S -0.00149 -0.01202 0.31004 199 2PX -0.00004 0.00000 0.00000 0.41673 200 2PY -0.00661 0.00000 0.00000 0.00000 0.37652 201 2PZ -0.00044 0.00000 0.00000 0.00000 0.00000 202 3S -0.00949 -0.03490 0.23516 0.00000 0.00000 203 3PX -0.00016 0.00000 0.00000 0.11090 0.00000 204 3PY -0.01213 0.00000 0.00000 0.00000 0.09914 205 3PZ -0.00226 0.00000 0.00000 0.00000 0.00000 206 4XX -0.00004 -0.00147 0.00060 0.00000 0.00000 207 4YY 0.00041 -0.00111 -0.00570 0.00000 0.00000 208 4ZZ -0.00009 -0.00136 -0.00131 0.00000 0.00000 209 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ -0.00013 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00012 -0.00185 0.02936 0.08854 0.00000 213 2S -0.00084 -0.00055 0.00917 0.05005 0.00000 214 23 H 1S -0.00004 -0.00160 0.02632 0.03531 0.00000 215 2S -0.00036 -0.00027 0.00590 0.02091 0.00000 201 202 203 204 205 201 2PZ 0.39894 202 3S 0.00000 0.31537 203 3PX 0.00000 0.00000 0.09623 204 3PY 0.00000 0.00000 0.00000 0.08615 205 3PZ 0.09779 0.00000 0.00000 0.00000 0.09298 206 4XX 0.00000 0.00184 0.00000 0.00000 0.00000 207 4YY 0.00000 -0.00501 0.00000 0.00000 0.00000 208 4ZZ 0.00000 -0.00068 0.00000 0.00000 0.00000 209 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.01063 0.03944 0.05598 0.00000 0.00591 213 2S 0.00616 0.01396 0.04493 0.00000 0.00289 214 23 H 1S 0.05960 0.03438 0.02397 0.00000 0.03885 215 2S 0.03725 0.00677 0.02178 0.00000 0.03383 206 207 208 209 210 206 4XX 0.00136 207 4YY -0.00022 0.00136 208 4ZZ -0.00001 -0.00005 0.00077 209 4XY 0.00000 0.00000 0.00000 0.00076 210 4XZ 0.00000 0.00000 0.00000 0.00000 0.00164 211 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00546 -0.00104 -0.00075 0.00000 0.00172 213 2S 0.00473 -0.00209 -0.00158 0.00000 0.00039 214 23 H 1S 0.00046 -0.00089 0.00218 0.00000 0.00404 215 2S 0.00040 -0.00194 0.00254 0.00000 0.00090 211 212 213 214 215 211 4YZ 0.00111 212 22 H 1S 0.00000 0.21329 213 2S 0.00000 0.10061 0.13978 214 23 H 1S 0.00000 -0.00044 -0.00636 0.20917 215 2S 0.00000 -0.00632 -0.01599 0.10234 0.13898 Gross orbital populations: 1 1 1 C 1S 1.99202 2 2S 0.71540 3 2PX 0.66494 4 2PY 0.78494 5 2PZ 0.60995 6 3S 0.57185 7 3PX 0.29891 8 3PY 0.17655 9 3PZ 0.34600 10 4XX -0.00554 11 4YY 0.00401 12 4ZZ -0.01446 13 4XY 0.01135 14 4XZ 0.00470 15 4YZ 0.00880 16 2 H 1S 0.52716 17 2S 0.31105 18 3 C 1S 1.99202 19 2S 0.71540 20 2PX 0.66494 21 2PY 0.78493 22 2PZ 0.60995 23 3S 0.57185 24 3PX 0.29891 25 3PY 0.17655 26 3PZ 0.34600 27 4XX -0.00554 28 4YY 0.00401 29 4ZZ -0.01446 30 4XY 0.01135 31 4XZ 0.00470 32 4YZ 0.00880 33 4 H 1S 0.52716 34 2S 0.31105 35 5 C 1S 1.99233 36 2S 0.72860 37 2PX 0.66085 38 2PY 0.73743 39 2PZ 0.57480 40 3S 0.38514 41 3PX 0.15524 42 3PY 0.02520 43 3PZ 0.23247 44 4XX -0.01075 45 4YY 0.01156 46 4ZZ -0.01910 47 4XY 0.03260 48 4XZ 0.00524 49 4YZ 0.02440 50 6 C 1S 1.99267 51 2S 0.69751 52 2PX 0.63961 53 2PY 0.75035 54 2PZ 0.66106 55 3S 0.61614 56 3PX 0.31609 57 3PY 0.19006 58 3PZ 0.35146 59 4XX -0.01128 60 4YY 0.00194 61 4ZZ -0.00625 62 4XY 0.00870 63 4XZ 0.00525 64 4YZ 0.00960 65 7 H 1S 0.52858 66 2S 0.30807 67 8 C 1S 1.99267 68 2S 0.69751 69 2PX 0.63961 70 2PY 0.75035 71 2PZ 0.66105 72 3S 0.61614 73 3PX 0.31609 74 3PY 0.19006 75 3PZ 0.35146 76 4XX -0.01128 77 4YY 0.00194 78 4ZZ -0.00625 79 4XY 0.00870 80 4XZ 0.00525 81 4YZ 0.00960 82 9 H 1S 0.52858 83 2S 0.30807 84 10 C 1S 1.99233 85 2S 0.72860 86 2PX 0.66085 87 2PY 0.73744 88 2PZ 0.57481 89 3S 0.38514 90 3PX 0.15524 91 3PY 0.02519 92 3PZ 0.23247 93 4XX -0.01075 94 4YY 0.01156 95 4ZZ -0.01910 96 4XY 0.03260 97 4XZ 0.00524 98 4YZ 0.02440 99 11 O 1S 1.99244 100 2S 0.90618 101 2PX 1.03001 102 2PY 0.91902 103 2PZ 0.90991 104 3S 1.06530 105 3PX 0.64636 106 3PY 0.44311 107 3PZ 0.58711 108 4XX -0.01416 109 4YY -0.00029 110 4ZZ -0.01180 111 4XY 0.00789 112 4XZ 0.00024 113 4YZ 0.00904 114 12 O 1S 1.99244 115 2S 0.90618 116 2PX 1.03001 117 2PY 0.91902 118 2PZ 0.90991 119 3S 1.06530 120 3PX 0.64636 121 3PY 0.44311 122 3PZ 0.58712 123 4XX -0.01416 124 4YY -0.00029 125 4ZZ -0.01180 126 4XY 0.00789 127 4XZ 0.00024 128 4YZ 0.00904 129 13 C 1S 1.99268 130 2S 0.71016 131 2PX 0.63477 132 2PY 0.74987 133 2PZ 0.62105 134 3S 0.61801 135 3PX 0.30488 136 3PY 0.23010 137 3PZ 0.27443 138 4XX -0.01240 139 4YY 0.01450 140 4ZZ -0.01225 141 4XY 0.00565 142 4XZ 0.00618 143 4YZ 0.00832 144 14 C 1S 1.99202 145 2S 0.71244 146 2PX 0.66171 147 2PY 0.75218 148 2PZ 0.65503 149 3S 0.51497 150 3PX 0.26482 151 3PY 0.20136 152 3PZ 0.32593 153 4XX -0.00670 154 4YY 0.00277 155 4ZZ -0.01066 156 4XY 0.00965 157 4XZ 0.00627 158 4YZ 0.00894 159 15 C 1S 1.99202 160 2S 0.71244 161 2PX 0.66171 162 2PY 0.75218 163 2PZ 0.65503 164 3S 0.51497 165 3PX 0.26482 166 3PY 0.20136 167 3PZ 0.32593 168 4XX -0.00670 169 4YY 0.00277 170 4ZZ -0.01066 171 4XY 0.00965 172 4XZ 0.00627 173 4YZ 0.00894 174 16 C 1S 1.99268 175 2S 0.71016 176 2PX 0.63477 177 2PY 0.74987 178 2PZ 0.62105 179 3S 0.61800 180 3PX 0.30488 181 3PY 0.23010 182 3PZ 0.27443 183 4XX -0.01240 184 4YY 0.01450 185 4ZZ -0.01225 186 4XY 0.00565 187 4XZ 0.00618 188 4YZ 0.00832 189 17 H 1S 0.52646 190 2S 0.30580 191 18 H 1S 0.52923 192 2S 0.32574 193 19 H 1S 0.52923 194 2S 0.32574 195 20 H 1S 0.52646 196 2S 0.30579 197 21 C 1S 1.99220 198 2S 0.68619 199 2PX 0.73581 200 2PY 0.67645 201 2PZ 0.71075 202 3S 0.59784 203 3PX 0.35505 204 3PY 0.25504 205 3PZ 0.27521 206 4XX 0.00817 207 4YY -0.00785 208 4ZZ 0.00045 209 4XY 0.00609 210 4XZ 0.01175 211 4YZ 0.01008 212 22 H 1S 0.52766 213 2S 0.30732 214 23 H 1S 0.51601 215 2S 0.30094 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.250429 0.342214 0.415612 -0.034470 -0.015875 -0.001136 2 H 0.342214 0.557602 -0.034470 -0.006676 0.003337 -0.000714 3 C 0.415612 -0.034470 5.250429 0.342214 0.372384 -0.109487 4 H -0.034470 -0.006676 0.342214 0.557602 -0.031637 0.006805 5 C -0.015875 0.003337 0.372384 -0.031637 4.407490 0.350936 6 C -0.001136 -0.000714 -0.109487 0.006805 0.350936 5.421753 7 H -0.000556 0.000016 0.006352 -0.000153 -0.031534 0.351080 8 C -0.109487 0.006805 -0.001136 -0.000714 -0.006523 0.303542 9 H 0.006352 -0.000153 -0.000556 0.000016 0.002515 -0.030754 10 C 0.372384 -0.031637 -0.015876 0.003337 -0.018526 -0.006522 11 O 0.005980 -0.000069 -0.066247 0.001936 0.509307 -0.073559 12 O -0.066248 0.001936 0.005980 -0.000069 -0.000067 0.005181 13 C -0.000596 0.000003 -0.000192 -0.000003 -0.002308 0.100203 14 C -0.000022 0.000001 0.000027 0.000000 0.000364 -0.007264 15 C 0.000027 0.000000 -0.000022 0.000001 0.000426 -0.024389 16 C -0.000193 -0.000003 -0.000596 0.000003 0.000200 -0.031489 17 H -0.000072 0.000001 0.000270 -0.000011 0.000712 -0.018323 18 H 0.000000 0.000000 0.000002 0.000000 -0.000049 -0.000247 19 H 0.000002 0.000000 0.000000 0.000000 0.000006 -0.000167 20 H 0.000270 -0.000011 -0.000072 0.000001 0.000022 0.001405 21 C -0.003433 0.000007 -0.003433 0.000007 -0.005193 -0.012468 22 H 0.008236 0.000023 0.008237 0.000023 -0.000044 -0.004804 23 H -0.000002 -0.000001 -0.000002 -0.000001 0.000066 0.003331 7 8 9 10 11 12 1 C -0.000556 -0.109487 0.006352 0.372384 0.005980 -0.066248 2 H 0.000016 0.006805 -0.000153 -0.031637 -0.000069 0.001936 3 C 0.006352 -0.001136 -0.000556 -0.015876 -0.066247 0.005980 4 H -0.000153 -0.000714 0.000016 0.003337 0.001936 -0.000069 5 C -0.031534 -0.006523 0.002515 -0.018526 0.509307 -0.000067 6 C 0.351080 0.303542 -0.030754 -0.006522 -0.073559 0.005181 7 H 0.553881 -0.030754 -0.006311 0.002515 0.001894 -0.000054 8 C -0.030754 5.421756 0.351080 0.350937 0.005181 -0.073560 9 H -0.006311 0.351080 0.553881 -0.031534 -0.000054 0.001894 10 C 0.002515 0.350937 -0.031534 4.407489 -0.000067 0.509307 11 O 0.001894 0.005181 -0.000054 -0.000067 8.105479 0.000000 12 O -0.000054 -0.073560 0.001894 0.509307 0.000000 8.105483 13 C -0.010125 -0.031488 0.000950 0.000200 -0.004464 0.000015 14 C -0.003049 -0.024389 -0.000266 0.000426 0.000081 -0.000001 15 C -0.000266 -0.007264 -0.003049 0.000363 -0.000001 0.000081 16 C 0.000950 0.100202 -0.010125 -0.002308 0.000015 -0.004465 17 H 0.000400 0.001405 -0.000059 0.000022 0.005247 0.000000 18 H 0.001006 -0.000167 -0.000030 0.000006 0.000001 0.000000 19 H -0.000030 -0.000247 0.001006 -0.000049 0.000000 0.000001 20 H -0.000059 -0.018324 0.000400 0.000712 0.000000 0.005248 21 C 0.001301 -0.012469 0.001301 -0.005192 -0.000165 -0.000165 22 H 0.000173 -0.004804 0.000173 -0.000044 -0.000123 -0.000123 23 H -0.000033 0.003331 -0.000033 0.000066 -0.000012 -0.000012 13 14 15 16 17 18 1 C -0.000596 -0.000022 0.000027 -0.000193 -0.000072 0.000000 2 H 0.000003 0.000001 0.000000 -0.000003 0.000001 0.000000 3 C -0.000192 0.000027 -0.000022 -0.000596 0.000270 0.000002 4 H -0.000003 0.000000 0.000001 0.000003 -0.000011 0.000000 5 C -0.002308 0.000364 0.000426 0.000200 0.000712 -0.000049 6 C 0.100203 -0.007264 -0.024389 -0.031489 -0.018323 -0.000247 7 H -0.010125 -0.003049 -0.000266 0.000950 0.000400 0.001006 8 C -0.031488 -0.024389 -0.007264 0.100202 0.001405 -0.000167 9 H 0.000950 -0.000266 -0.003049 -0.010125 -0.000059 -0.000030 10 C 0.000200 0.000426 0.000363 -0.002308 0.000022 0.000006 11 O -0.004464 0.000081 -0.000001 0.000015 0.005247 0.000001 12 O 0.000015 -0.000001 0.000081 -0.004465 0.000000 0.000000 13 C 5.067119 0.520122 -0.050010 -0.073435 0.363843 -0.049467 14 C 0.520122 4.897216 0.533642 -0.050010 -0.038371 0.369829 15 C -0.050010 0.533642 4.897214 0.520123 0.006748 -0.047481 16 C -0.073435 -0.050010 0.520123 5.067121 0.005234 0.006183 17 H 0.363843 -0.038371 0.006748 0.005234 0.550631 -0.003472 18 H -0.049467 0.369829 -0.047481 0.006183 -0.003472 0.576060 19 H 0.006183 -0.047481 0.369829 -0.049467 -0.000106 -0.003230 20 H 0.005234 0.006748 -0.038370 0.363842 -0.000127 -0.000106 21 C 0.366937 -0.070151 -0.070151 0.366939 -0.040171 0.006413 22 H -0.033227 0.005172 0.005172 -0.033227 -0.001116 -0.000116 23 H -0.029553 -0.001910 -0.001910 -0.029553 -0.000433 -0.000173 19 20 21 22 23 1 C 0.000002 0.000270 -0.003433 0.008236 -0.000002 2 H 0.000000 -0.000011 0.000007 0.000023 -0.000001 3 C 0.000000 -0.000072 -0.003433 0.008237 -0.000002 4 H 0.000000 0.000001 0.000007 0.000023 -0.000001 5 C 0.000006 0.000022 -0.005193 -0.000044 0.000066 6 C -0.000167 0.001405 -0.012468 -0.004804 0.003331 7 H -0.000030 -0.000059 0.001301 0.000173 -0.000033 8 C -0.000247 -0.018324 -0.012469 -0.004804 0.003331 9 H 0.001006 0.000400 0.001301 0.000173 -0.000033 10 C -0.000049 0.000712 -0.005192 -0.000044 0.000066 11 O 0.000000 0.000000 -0.000165 -0.000123 -0.000012 12 O 0.000001 0.005248 -0.000165 -0.000123 -0.000012 13 C 0.006183 0.005234 0.366937 -0.033227 -0.029553 14 C -0.047481 0.006748 -0.070151 0.005172 -0.001910 15 C 0.369829 -0.038370 -0.070151 0.005172 -0.001910 16 C -0.049467 0.363842 0.366939 -0.033227 -0.029553 17 H -0.000106 -0.000127 -0.040171 -0.001116 -0.000433 18 H -0.003230 -0.000106 0.006413 -0.000116 -0.000173 19 H 0.576060 -0.003472 0.006413 -0.000116 -0.000173 20 H -0.003472 0.550630 -0.040171 -0.001116 -0.000433 21 C 0.006413 -0.040171 5.114964 0.361443 0.350665 22 H -0.000116 -0.001116 0.361443 0.554289 -0.029100 23 H -0.000173 -0.000433 0.350665 -0.029100 0.552825 Mulliken charges: 1 1 C -0.169415 2 H 0.161790 3 C -0.169415 4 H 0.161790 5 C 0.463989 6 C -0.222914 7 H 0.163354 8 C -0.222914 9 H 0.163355 10 C 0.463991 11 O -0.490360 12 O -0.490362 13 C -0.145941 14 C -0.090713 15 C -0.090713 16 C -0.145941 17 H 0.167747 18 H 0.145039 19 H 0.145039 20 H 0.167749 21 C -0.313229 22 H 0.165019 23 H 0.183052 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.007625 3 C -0.007625 5 C 0.463989 6 C -0.059559 8 C -0.059559 10 C 0.463991 11 O -0.490360 12 O -0.490362 13 C 0.021806 14 C 0.054326 15 C 0.054326 16 C 0.021808 21 C 0.034842 APT charges: 1 1 C -0.085537 2 H 0.029585 3 C -0.085537 4 H 0.029585 5 C 0.846224 6 C -0.185456 7 H 0.004372 8 C -0.185466 9 H 0.004373 10 C 0.846227 11 O -0.694007 12 O -0.694007 13 C 0.070453 14 C -0.063389 15 C -0.063385 16 C 0.070449 17 H 0.026066 18 H 0.051541 19 H 0.051541 20 H 0.026068 21 C -0.040726 22 H 0.030720 23 H 0.010306 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.055952 3 C -0.055952 5 C 0.846224 6 C -0.181085 8 C -0.181092 10 C 0.846227 11 O -0.694007 12 O -0.694007 13 C 0.096519 14 C -0.011848 15 C -0.011844 16 C 0.096517 21 C 0.000300 Electronic spatial extent (au): = 1993.8838 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= -0.0003 XZ= -4.5498 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 7.7159 YY= -14.0138 ZZ= 6.2979 XY= -0.0003 XZ= -4.5498 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -11.2792 YYY= -0.0008 ZZZ= -1.8591 XYY= 30.8286 XXY= 0.0008 XXZ= 0.1910 XZZ= -0.3448 YZZ= 0.0000 YYZ= 8.5111 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1303.3022 YYYY= -1092.3227 ZZZZ= -303.9683 XXXY= -0.0010 XXXZ= -54.6643 YYYX= -0.0016 YYYZ= 0.0003 ZZZX= 2.3987 ZZZY= 0.0000 XXYY= -393.5396 XXZZ= -261.9374 YYZZ= -198.7467 XXYZ= -0.0001 YYXZ= -16.8238 ZZXY= 0.0001 N-N= 7.675011339421D+02 E-N=-2.873719094652D+03 KE= 5.702133620750D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.137345 29.025504 2 O -19.137343 29.027140 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 -10.207981 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 1.597242 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 -0.574088 1.441324 25 O -0.548062 1.327110 26 O -0.535743 0.979489 27 O -0.491684 1.478209 28 O -0.486295 1.487519 29 O -0.473971 1.137956 30 O -0.469225 1.615786 31 O -0.441793 1.216130 32 O -0.419130 2.109735 33 O -0.409269 1.376845 34 O -0.405320 1.371243 35 O -0.399475 1.748683 36 O -0.394841 1.477327 37 O -0.389560 1.497308 38 O -0.388672 1.571487 39 O -0.381031 1.517723 40 O -0.372703 1.398659 41 O -0.334446 1.092065 42 O -0.287414 1.551054 43 O -0.255985 1.740923 44 O -0.255768 2.381586 45 O -0.250084 1.350999 46 O -0.243504 1.815120 47 V -0.099900 1.794267 48 V -0.036825 1.469414 49 V -0.012992 1.442204 50 V 0.035312 1.907629 51 V 0.067509 1.580799 52 V 0.095224 0.963379 53 V 0.104858 0.998418 54 V 0.128234 1.011414 55 V 0.132381 1.017285 56 V 0.135365 1.663266 57 V 0.151712 1.115875 58 V 0.155902 1.254863 59 V 0.159622 1.248927 60 V 0.170055 1.057810 61 V 0.170791 1.246493 62 V 0.187440 1.899205 63 V 0.192155 1.432265 64 V 0.210974 1.414037 65 V 0.220119 1.581657 66 V 0.253512 1.672585 67 V 0.282480 1.408785 68 V 0.294611 1.808574 69 V 0.299804 1.832737 70 V 0.322636 1.552291 71 V 0.342745 2.134152 72 V 0.363890 1.969334 73 V 0.398552 2.420080 74 V 0.458336 2.345149 75 V 0.466964 1.680414 76 V 0.479566 2.194587 77 V 0.496064 1.896233 78 V 0.519998 2.107555 79 V 0.521273 1.893574 80 V 0.530364 2.093337 81 V 0.536410 1.931700 82 V 0.554660 1.975947 83 V 0.572751 2.173960 84 V 0.578291 2.558644 85 V 0.586704 1.997824 86 V 0.592852 2.126487 87 V 0.610794 2.307587 88 V 0.624698 2.211971 89 V 0.638988 2.296342 90 V 0.652152 2.831855 91 V 0.654998 2.967035 92 V 0.676413 2.511238 93 V 0.679426 2.622622 94 V 0.685104 2.516796 95 V 0.721880 2.428405 96 V 0.739583 2.365781 97 V 0.739805 2.382248 98 V 0.788664 2.931850 99 V 0.797019 2.483852 100 V 0.803452 2.448091 101 V 0.819800 2.613921 102 V 0.824803 2.454388 103 V 0.824893 2.588448 104 V 0.827160 2.776487 105 V 0.834292 2.882079 106 V 0.847996 2.727524 107 V 0.861103 2.534067 108 V 0.881856 2.561891 109 V 0.883978 2.591277 110 V 0.893402 2.607375 111 V 0.910016 2.481052 112 V 0.913870 2.471912 113 V 0.931836 2.568391 114 V 0.948438 2.494635 115 V 0.985706 2.570631 116 V 1.014999 2.353351 117 V 1.025558 2.601100 118 V 1.037874 2.574169 119 V 1.046491 3.228516 120 V 1.058930 2.915255 121 V 1.061358 2.931929 122 V 1.094915 2.505429 123 V 1.115920 3.077571 124 V 1.149297 2.333212 125 V 1.169238 2.297671 126 V 1.209425 2.314052 127 V 1.222010 2.498697 128 V 1.224161 2.391053 129 V 1.230767 2.510115 130 V 1.272853 2.492526 131 V 1.321124 2.705211 132 V 1.325618 2.501642 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 1.461067 2.680102 139 V 1.470676 2.795426 140 V 1.514186 2.726476 141 V 1.522607 2.696345 142 V 1.583820 2.880015 143 V 1.637842 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 1.772055 3.004924 149 V 1.797978 3.077026 150 V 1.827337 3.074140 151 V 1.838564 3.120993 152 V 1.846053 3.179142 153 V 1.876098 3.222094 154 V 1.891396 3.158269 155 V 1.895696 3.456135 156 V 1.897912 3.347351 157 V 1.909431 3.058985 158 V 1.931265 3.222814 159 V 1.956973 3.344068 160 V 1.983255 3.381734 161 V 1.989647 3.805479 162 V 2.033495 3.419553 163 V 2.050742 3.426204 164 V 2.060644 3.638090 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 2.179978 3.670627 171 V 2.188491 3.548196 172 V 2.227190 3.576413 173 V 2.256159 3.601226 174 V 2.256532 3.608632 175 V 2.283200 3.583849 176 V 2.306525 3.768114 177 V 2.324345 3.768608 178 V 2.375468 3.723742 179 V 2.375885 3.778664 180 V 2.403827 3.753237 181 V 2.451565 4.029626 182 V 2.452849 3.831921 183 V 2.524109 4.157464 184 V 2.573125 4.037962 185 V 2.583270 3.993924 186 V 2.593823 3.881858 187 V 2.614058 4.262416 188 V 2.623760 4.571970 189 V 2.638395 4.092557 190 V 2.661810 4.436316 191 V 2.664524 4.202747 192 V 2.690046 4.196217 193 V 2.712905 4.525686 194 V 2.763475 4.506656 195 V 2.843908 4.551296 196 V 2.920971 4.773254 197 V 2.950860 4.473545 198 V 2.964448 4.606645 199 V 2.975268 5.025650 200 V 3.023893 5.012881 201 V 3.183233 4.869203 202 V 3.251689 5.165137 203 V 4.030951 10.142397 204 V 4.037752 10.534650 205 V 4.103158 10.245478 206 V 4.167930 10.228655 207 V 4.220673 10.334479 208 V 4.318736 10.335121 209 V 4.359324 10.541668 210 V 4.363583 10.876740 211 V 4.461126 10.564076 212 V 4.520920 10.462157 213 V 4.637474 10.767427 214 V 4.641689 11.162905 215 V 4.909973 11.636572 Total kinetic energy from orbitals= 5.702133620750D+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 -5.7386 -4.0273 0.0003 0.0005 0.0009 Low frequencies --- 6.1071 79.4356 97.8577 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 24.7913352 12.9927217 25.9620116 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 -- -440.9014 79.4324 97.8575 Red. masses -- 9.8010 4.0491 8.1717 Frc consts -- 1.1225 0.0151 0.0461 IR Inten -- 0.4891 0.2828 12.0953 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.00 -0.02 0.00 0.06 -0.03 0.19 0.00 0.25 2 1 -0.02 0.00 -0.06 -0.01 0.08 -0.05 0.28 0.00 0.37 3 6 0.02 0.00 -0.02 0.00 0.06 0.03 0.19 0.00 0.25 4 1 -0.02 0.00 -0.06 0.01 0.08 0.05 0.28 0.00 0.37 5 6 0.05 -0.02 0.03 0.01 0.03 0.06 -0.01 0.02 -0.03 6 6 0.32 -0.10 0.31 -0.01 0.00 0.00 0.03 0.00 0.03 7 1 -0.08 0.04 -0.02 -0.08 0.00 -0.04 0.03 0.01 0.02 8 6 0.32 0.10 0.31 0.01 0.00 0.00 0.03 0.00 0.03 9 1 -0.08 -0.04 -0.02 0.08 0.00 0.04 0.03 -0.01 0.02 10 6 0.05 0.02 0.03 -0.01 0.03 -0.06 -0.01 -0.02 -0.03 11 8 -0.02 0.00 -0.02 0.03 0.02 0.16 -0.23 0.06 -0.32 12 8 -0.02 0.00 -0.02 -0.03 0.02 -0.16 -0.23 -0.06 -0.32 13 6 -0.35 0.05 -0.25 0.04 -0.08 -0.19 0.02 0.00 0.06 14 6 0.01 0.06 -0.04 0.03 0.09 -0.11 0.02 0.00 0.05 15 6 0.01 -0.06 -0.04 -0.03 0.09 0.11 0.02 0.00 0.05 16 6 -0.35 -0.05 -0.25 -0.04 -0.08 0.19 0.02 0.00 0.06 17 1 -0.13 0.04 -0.11 0.09 -0.12 -0.34 0.05 0.00 0.07 18 1 0.08 0.02 0.07 0.05 0.22 -0.22 0.02 0.00 0.05 19 1 0.08 -0.02 0.07 -0.05 0.22 0.22 0.02 0.00 0.05 20 1 -0.13 -0.04 -0.11 -0.09 -0.12 0.34 0.05 0.00 0.07 21 6 -0.03 0.00 0.00 0.00 -0.23 0.00 0.03 0.00 0.06 22 1 0.03 0.00 0.18 0.00 -0.32 0.00 0.04 0.00 0.07 23 1 0.18 0.00 -0.17 0.00 -0.35 0.00 0.04 0.00 0.05 4 5 6 A A A Frequencies -- 121.3068 157.3279 179.1533 Red. masses -- 5.3207 5.1012 6.4783 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 0.03 0.03 -0.01 0.19 0.00 0.11 -0.03 0.05 0.03 2 1 0.06 0.07 -0.01 0.29 0.00 0.24 -0.06 0.00 0.04 3 6 -0.03 0.03 0.01 0.19 0.00 0.11 0.03 0.05 -0.03 4 1 -0.06 0.07 0.01 0.29 0.00 0.24 0.06 0.00 -0.04 5 6 -0.08 -0.04 -0.01 0.08 -0.01 -0.03 0.06 0.09 -0.05 6 6 -0.03 -0.12 0.00 -0.03 0.00 -0.17 -0.08 0.13 -0.12 7 1 -0.01 -0.16 0.04 -0.03 -0.01 -0.17 0.04 0.17 -0.08 8 6 0.03 -0.12 0.00 -0.03 0.00 -0.17 0.08 0.13 0.12 9 1 0.01 -0.16 -0.04 -0.03 0.01 -0.17 -0.04 0.17 0.08 10 6 0.08 -0.04 0.01 0.08 0.01 -0.03 -0.06 0.09 0.05 11 8 -0.23 -0.03 -0.06 0.12 -0.02 0.05 0.15 0.07 0.05 12 8 0.23 -0.03 0.06 0.12 0.02 0.05 -0.15 0.07 -0.05 13 6 0.22 0.01 0.06 -0.17 0.00 -0.03 0.23 -0.16 0.19 14 6 0.12 0.16 0.02 -0.10 0.00 0.07 0.10 -0.12 0.08 15 6 -0.12 0.16 -0.02 -0.10 0.00 0.07 -0.10 -0.12 -0.08 16 6 -0.22 0.01 -0.06 -0.17 0.00 -0.03 -0.23 -0.16 -0.19 17 1 0.36 -0.01 0.07 -0.20 0.00 -0.05 0.19 -0.16 0.16 18 1 0.23 0.25 0.04 -0.04 0.00 0.13 0.20 -0.10 0.16 19 1 -0.23 0.25 -0.04 -0.04 0.00 0.13 -0.20 -0.10 -0.16 20 1 -0.36 -0.01 -0.07 -0.20 0.00 -0.05 -0.19 -0.16 -0.16 21 6 0.00 -0.03 0.00 -0.24 0.00 -0.06 0.00 -0.12 0.00 22 1 0.00 -0.21 0.00 -0.26 0.00 -0.12 0.00 -0.29 0.00 23 1 0.00 0.17 0.00 -0.30 0.00 -0.01 0.00 0.19 0.00 7 8 9 A A A Frequencies -- 255.6697 278.1184 416.6961 Red. masses -- 3.6633 4.3665 8.9548 Frc consts -- 0.1411 0.1990 0.9161 IR Inten -- 1.5027 0.1548 27.2505 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.00 0.03 0.20 0.01 0.26 -0.20 0.02 0.16 2 1 -0.02 0.01 0.04 0.37 0.02 0.46 -0.24 0.04 0.09 3 6 -0.03 0.00 0.03 -0.20 0.01 -0.26 -0.20 -0.02 0.16 4 1 -0.02 -0.01 0.04 -0.37 0.02 -0.46 -0.24 -0.04 0.09 5 6 -0.05 0.01 0.02 -0.11 -0.01 -0.11 -0.04 0.06 0.12 6 6 -0.04 -0.01 -0.03 -0.03 -0.01 -0.01 -0.12 0.05 0.13 7 1 -0.09 0.00 -0.07 0.00 0.00 -0.01 -0.20 -0.01 0.13 8 6 -0.04 0.01 -0.03 0.03 -0.01 0.01 -0.12 -0.05 0.13 9 1 -0.09 0.00 -0.07 0.00 0.00 0.01 -0.20 0.01 0.13 10 6 -0.05 -0.01 0.02 0.11 -0.01 0.11 -0.04 -0.06 0.12 11 8 -0.08 0.01 0.05 0.04 -0.04 0.09 0.32 0.06 -0.24 12 8 -0.08 -0.01 0.05 -0.04 -0.04 -0.09 0.32 -0.06 -0.24 13 6 0.03 0.00 -0.12 -0.01 0.03 0.00 0.00 0.00 -0.05 14 6 0.23 0.00 0.12 0.00 0.03 0.00 0.02 -0.01 0.00 15 6 0.23 0.00 0.12 0.00 0.03 0.00 0.02 0.01 0.00 16 6 0.03 0.00 -0.12 0.01 0.03 0.00 0.00 0.00 -0.05 17 1 0.01 0.00 -0.14 -0.02 0.03 0.00 -0.03 0.00 -0.08 18 1 0.42 0.00 0.32 -0.01 0.03 0.00 0.07 0.00 0.05 19 1 0.42 0.00 0.32 0.01 0.03 0.00 0.07 0.00 0.05 20 1 0.01 0.00 -0.14 0.02 0.03 0.00 -0.03 0.00 -0.08 21 6 -0.09 0.00 -0.17 0.00 0.03 0.00 -0.09 0.00 -0.10 22 1 -0.13 0.00 -0.29 0.00 0.03 0.00 -0.14 0.00 -0.23 23 1 -0.19 0.00 -0.09 0.00 0.02 0.00 -0.22 0.00 0.00 10 11 12 A A A Frequencies -- 445.6859 448.2363 475.0974 Red. masses -- 5.4047 7.7244 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 0.05 0.08 0.07 -0.07 -0.03 0.03 -0.04 0.00 0.02 2 1 0.12 0.09 0.15 -0.07 0.17 -0.20 0.05 0.04 0.09 3 6 -0.05 0.08 -0.07 -0.07 0.03 0.03 -0.04 0.00 0.02 4 1 -0.12 0.09 -0.15 -0.07 -0.17 -0.20 0.05 -0.04 0.09 5 6 0.06 0.05 0.08 0.07 0.30 0.03 -0.05 0.06 -0.05 6 6 0.23 -0.07 0.27 0.17 0.03 -0.08 -0.04 0.01 -0.08 7 1 0.20 -0.18 0.33 0.09 -0.15 0.00 -0.06 -0.04 -0.07 8 6 -0.23 -0.07 -0.27 0.17 -0.03 -0.08 -0.04 -0.01 -0.08 9 1 -0.20 -0.18 -0.33 0.09 0.15 0.00 -0.06 0.04 -0.07 10 6 -0.06 0.05 -0.08 0.07 -0.30 0.03 -0.05 -0.06 -0.05 11 8 0.07 0.07 -0.09 -0.05 0.33 0.07 0.04 0.06 0.01 12 8 -0.07 0.07 0.09 -0.05 -0.33 0.07 0.04 -0.06 0.01 13 6 0.01 -0.06 -0.02 0.03 0.00 0.03 -0.08 0.00 -0.04 14 6 0.10 -0.03 0.08 -0.05 0.00 -0.04 0.02 0.00 0.07 15 6 -0.10 -0.03 -0.08 -0.05 0.00 -0.04 0.02 0.00 0.07 16 6 -0.01 -0.06 0.02 0.03 0.00 0.03 -0.08 0.00 -0.04 17 1 0.09 -0.07 0.03 0.00 0.00 0.01 -0.10 0.00 -0.05 18 1 0.20 -0.01 0.16 -0.13 0.00 -0.13 0.08 0.01 0.13 19 1 -0.20 -0.01 -0.16 -0.13 0.00 -0.13 0.08 -0.01 0.13 20 1 -0.09 -0.07 -0.03 0.00 0.00 0.01 -0.10 0.00 -0.05 21 6 0.00 -0.08 0.00 -0.11 0.00 -0.05 0.18 0.00 0.10 22 1 0.00 -0.08 0.00 -0.18 0.00 -0.25 0.33 0.00 0.53 23 1 0.00 -0.07 0.00 -0.31 0.00 0.11 0.59 0.00 -0.21 13 14 15 A A A Frequencies -- 475.7551 563.1298 589.4459 Red. masses -- 5.0338 2.9116 2.2059 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 -0.16 0.03 0.13 0.01 -0.04 -0.04 0.04 0.00 -0.01 2 1 -0.29 -0.22 0.23 0.00 -0.02 -0.06 -0.34 -0.02 -0.50 3 6 0.16 0.03 -0.13 -0.01 -0.04 0.04 0.04 0.00 -0.01 4 1 0.29 -0.22 -0.23 0.00 -0.02 0.06 -0.34 0.02 -0.50 5 6 0.17 0.01 -0.15 -0.05 -0.01 -0.01 0.13 -0.02 0.16 6 6 0.19 -0.05 -0.09 -0.04 0.04 -0.04 -0.05 0.01 -0.06 7 1 0.30 0.15 -0.17 -0.09 0.08 -0.09 -0.15 0.01 -0.12 8 6 -0.19 -0.05 0.09 0.04 0.04 0.04 -0.05 -0.01 -0.06 9 1 -0.30 0.15 0.17 0.09 0.08 0.09 -0.15 -0.01 -0.12 10 6 -0.17 0.01 0.15 0.05 -0.01 0.01 0.13 0.02 0.16 11 8 -0.13 0.02 0.11 -0.01 -0.01 0.02 -0.04 0.00 -0.04 12 8 0.13 0.02 -0.11 0.01 -0.01 -0.02 -0.04 0.00 -0.04 13 6 -0.03 0.01 -0.02 -0.09 0.02 -0.10 -0.03 -0.01 -0.01 14 6 0.02 -0.01 0.03 0.15 0.01 0.18 -0.02 0.00 0.02 15 6 -0.02 -0.01 -0.03 -0.15 0.01 -0.18 -0.02 0.00 0.02 16 6 0.03 0.01 0.02 0.09 0.02 0.10 -0.03 0.01 -0.01 17 1 -0.02 0.01 0.00 -0.08 0.02 -0.07 -0.04 -0.01 -0.02 18 1 0.03 -0.02 0.05 0.38 -0.01 0.43 0.02 0.00 0.06 19 1 -0.03 -0.02 -0.05 -0.38 -0.01 -0.43 0.02 0.00 0.06 20 1 0.02 0.01 0.00 0.08 0.02 0.07 -0.04 0.01 -0.02 21 6 0.00 0.00 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 22 1 0.00 0.03 0.00 0.00 0.11 0.00 0.08 0.00 0.15 23 1 0.00 -0.06 0.00 0.00 -0.28 0.00 0.15 0.00 -0.10 16 17 18 A A A Frequencies -- 627.5819 761.1136 772.5319 Red. masses -- 6.0769 3.5193 3.6226 Frc consts -- 1.4102 1.2012 1.2738 IR Inten -- 0.2797 19.4586 0.7858 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 0.30 -0.01 -0.12 0.02 0.12 0.00 0.13 -0.05 2 1 -0.05 0.39 -0.11 -0.23 0.07 -0.06 0.05 0.31 -0.16 3 6 0.06 0.30 0.01 -0.12 -0.02 0.12 0.00 0.13 0.05 4 1 0.05 0.39 0.11 -0.23 -0.07 -0.06 -0.05 0.31 0.16 5 6 -0.01 -0.04 -0.08 0.00 -0.06 0.00 -0.03 -0.12 -0.07 6 6 -0.03 -0.25 -0.14 0.11 -0.05 -0.14 0.07 0.18 0.07 7 1 -0.07 -0.22 -0.19 -0.02 -0.09 -0.20 0.30 0.34 0.09 8 6 0.03 -0.25 0.14 0.11 0.05 -0.14 -0.07 0.18 -0.07 9 1 0.07 -0.22 0.19 -0.02 0.09 -0.20 -0.30 0.34 -0.09 10 6 0.01 -0.04 0.08 0.00 0.06 0.00 0.03 -0.12 0.07 11 8 0.15 -0.06 -0.08 0.00 -0.07 -0.01 -0.02 -0.16 0.01 12 8 -0.15 -0.06 0.08 0.00 0.07 -0.01 0.02 -0.16 -0.01 13 6 -0.04 0.02 -0.03 0.00 0.10 -0.01 0.03 0.01 0.01 14 6 0.01 0.02 0.03 0.09 0.02 -0.02 0.03 -0.03 -0.01 15 6 -0.01 0.02 -0.03 0.09 -0.02 -0.02 -0.03 -0.03 0.01 16 6 0.04 0.02 0.03 0.00 -0.10 -0.01 -0.03 0.01 -0.01 17 1 0.00 0.03 0.03 -0.04 0.07 -0.16 -0.15 0.01 -0.12 18 1 0.03 0.01 0.07 -0.23 -0.04 -0.28 -0.01 -0.01 -0.07 19 1 -0.03 0.01 -0.07 -0.23 0.04 -0.28 0.01 -0.01 0.07 20 1 0.00 0.03 -0.03 -0.04 -0.07 -0.16 0.15 0.01 0.12 21 6 0.00 0.03 0.00 -0.02 0.00 0.20 0.00 -0.01 0.00 22 1 0.00 0.09 0.00 -0.13 0.00 -0.09 0.00 -0.10 0.00 23 1 0.00 -0.11 0.00 -0.24 0.00 0.36 0.00 0.13 0.00 19 20 21 A A A Frequencies -- 780.4969 795.3885 805.6387 Red. masses -- 2.3161 6.7766 2.3107 Frc consts -- 0.8313 2.5259 0.8837 IR Inten -- 11.5936 0.0383 1.9884 Atom AN X Y Z X Y Z X Y Z 1 6 -0.09 0.01 0.08 0.07 0.09 0.14 0.00 -0.01 0.02 2 1 -0.11 0.06 0.02 0.21 0.15 0.26 0.00 -0.03 0.05 3 6 -0.09 -0.01 0.08 -0.07 0.09 -0.14 0.00 -0.01 -0.02 4 1 -0.11 -0.06 0.02 -0.21 0.15 -0.26 0.00 -0.03 -0.05 5 6 0.00 -0.04 -0.01 0.27 -0.10 0.31 0.03 0.01 0.04 6 6 0.11 -0.03 -0.07 -0.08 0.09 -0.12 -0.03 -0.03 -0.01 7 1 0.14 -0.07 -0.02 -0.13 0.11 -0.16 0.00 -0.09 0.04 8 6 0.11 0.03 -0.07 0.08 0.09 0.12 0.03 -0.03 0.01 9 1 0.14 0.07 -0.02 0.13 0.11 0.16 0.00 -0.09 -0.04 10 6 0.00 0.04 -0.01 -0.27 -0.10 -0.31 -0.03 0.01 -0.04 11 8 0.00 -0.05 0.00 -0.07 -0.07 -0.07 0.00 0.01 -0.01 12 8 0.00 0.05 0.00 0.07 -0.07 0.07 0.00 0.01 0.01 13 6 0.00 -0.07 0.04 -0.03 -0.01 -0.01 0.08 0.09 -0.05 14 6 -0.08 0.00 -0.01 -0.03 0.02 0.03 0.13 -0.11 -0.05 15 6 -0.08 0.00 -0.01 0.03 0.02 -0.03 -0.13 -0.11 0.05 16 6 0.00 0.07 0.04 0.03 -0.01 0.01 -0.08 0.09 0.05 17 1 0.26 -0.04 0.37 0.11 -0.03 0.05 -0.49 0.13 -0.30 18 1 0.23 0.02 0.28 0.03 -0.02 0.14 0.05 -0.03 -0.22 19 1 0.23 -0.02 0.28 -0.03 -0.02 -0.14 -0.05 -0.03 0.22 20 1 0.26 0.04 0.37 -0.11 -0.03 -0.05 0.49 0.13 0.30 21 6 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 0.09 0.00 22 1 0.09 0.00 0.08 0.00 0.11 0.00 0.00 -0.14 0.00 23 1 0.19 0.00 -0.28 0.00 -0.15 0.00 0.00 0.18 0.00 22 23 24 A A A Frequencies -- 809.9064 845.5941 853.5558 Red. masses -- 1.7051 1.7275 1.4633 Frc consts -- 0.6590 0.7278 0.6281 IR Inten -- 39.6473 4.8510 4.9417 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.00 0.02 -0.02 0.00 0.01 -0.06 0.00 -0.07 2 1 -0.04 0.01 -0.01 -0.03 -0.03 0.03 0.29 0.00 0.41 3 6 -0.02 0.00 0.02 0.02 0.00 -0.01 -0.06 0.00 -0.07 4 1 -0.04 -0.01 -0.01 0.03 -0.03 -0.03 0.29 0.00 0.41 5 6 0.00 -0.01 0.00 0.01 0.01 0.00 0.05 -0.01 0.08 6 6 0.03 0.01 0.00 -0.03 -0.02 0.01 0.02 -0.01 -0.02 7 1 0.18 -0.02 0.11 0.10 -0.09 0.13 -0.34 0.06 -0.28 8 6 0.03 -0.01 0.00 0.03 -0.02 -0.01 0.02 0.01 -0.02 9 1 0.18 0.02 0.11 -0.10 -0.09 -0.13 -0.34 -0.06 -0.28 10 6 0.00 0.01 0.00 -0.01 0.01 0.00 0.05 0.01 0.08 11 8 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 12 8 -0.01 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 13 6 0.01 -0.10 -0.01 -0.01 -0.02 0.08 0.00 -0.03 0.01 14 6 -0.01 -0.02 0.10 -0.04 0.08 0.10 0.00 0.00 0.03 15 6 -0.01 0.02 0.10 0.04 0.08 -0.10 0.00 0.00 0.03 16 6 0.01 0.10 -0.01 0.01 -0.02 -0.08 0.00 0.03 0.01 17 1 -0.32 -0.09 -0.20 -0.41 -0.07 -0.45 0.07 -0.03 0.08 18 1 -0.30 0.14 -0.38 -0.21 0.02 -0.01 -0.08 0.05 -0.10 19 1 -0.30 -0.14 -0.38 0.21 0.02 0.01 -0.08 -0.05 -0.10 20 1 -0.32 0.09 -0.20 0.41 -0.07 0.45 0.07 0.03 0.08 21 6 0.06 0.00 -0.12 0.00 -0.10 0.00 0.02 0.00 0.00 22 1 0.07 0.00 -0.08 0.00 -0.07 0.00 0.00 0.00 -0.03 23 1 0.06 0.00 -0.12 0.00 0.13 0.00 -0.02 0.00 0.02 25 26 27 A A A Frequencies -- 898.2530 917.0443 932.2763 Red. masses -- 1.4000 1.7266 2.5643 Frc consts -- 0.6655 0.8555 1.3131 IR Inten -- 37.3733 4.4967 19.4868 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 0.00 -0.03 0.00 0.00 -0.01 0.14 -0.04 -0.09 2 1 0.16 0.02 0.24 0.02 -0.01 0.03 0.23 0.14 -0.16 3 6 -0.05 0.00 -0.03 0.00 0.00 -0.01 -0.14 -0.04 0.09 4 1 0.16 -0.02 0.24 0.02 0.01 0.03 -0.23 0.14 0.16 5 6 0.06 -0.02 0.07 0.00 0.00 0.01 0.01 0.00 0.02 6 6 0.00 0.02 -0.03 -0.01 0.00 0.00 0.16 -0.04 -0.10 7 1 0.37 -0.11 0.28 0.06 -0.03 0.06 -0.08 0.23 -0.42 8 6 0.00 -0.02 -0.03 -0.01 0.00 0.00 -0.16 -0.04 0.10 9 1 0.37 0.11 0.28 0.06 0.03 0.06 0.08 0.23 0.42 10 6 0.06 0.02 0.07 0.00 0.00 0.01 -0.01 0.00 -0.02 11 8 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.03 0.00 12 8 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.03 0.00 13 6 0.01 0.05 -0.01 -0.01 0.13 0.03 0.01 -0.02 0.03 14 6 -0.02 -0.01 -0.03 0.07 0.00 0.02 0.02 0.01 0.04 15 6 -0.02 0.01 -0.03 0.07 0.00 0.02 -0.02 0.01 -0.04 16 6 0.01 -0.05 -0.01 -0.01 -0.13 0.03 -0.01 -0.02 -0.03 17 1 -0.20 0.03 -0.25 0.09 0.18 0.31 -0.10 -0.02 -0.08 18 1 0.10 -0.10 0.18 -0.31 -0.12 -0.24 -0.17 0.02 -0.18 19 1 0.10 0.10 0.18 -0.31 0.12 -0.24 0.17 0.02 0.18 20 1 -0.20 -0.03 -0.25 0.09 -0.18 0.31 0.10 -0.02 0.08 21 6 -0.03 0.00 0.02 -0.09 0.00 -0.12 0.00 0.00 0.00 22 1 0.00 0.00 0.12 0.06 0.00 0.29 0.00 -0.02 0.00 23 1 0.08 0.00 -0.06 0.28 0.00 -0.39 0.00 0.15 0.00 28 29 30 A A A Frequencies -- 968.0153 983.7904 984.0534 Red. masses -- 1.3908 1.7125 1.8460 Frc consts -- 0.7679 0.9765 1.0532 IR Inten -- 12.2367 1.5652 1.3444 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.01 -0.02 0.02 -0.01 -0.01 0.00 0.00 0.00 2 1 0.05 0.03 -0.03 0.04 0.02 -0.01 -0.01 0.00 -0.01 3 6 -0.02 -0.01 0.02 -0.02 -0.01 0.01 0.00 0.00 0.00 4 1 -0.05 0.03 0.03 -0.04 0.02 0.01 -0.01 0.00 -0.01 5 6 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 6 6 0.03 -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 0.01 7 1 0.05 0.01 -0.02 0.09 -0.01 0.04 0.02 0.03 0.01 8 6 -0.03 -0.01 0.02 0.00 0.00 0.01 0.00 0.00 0.01 9 1 -0.05 0.01 0.02 -0.09 -0.01 -0.04 0.02 -0.03 0.01 10 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 11 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.03 0.02 0.02 0.01 0.14 0.02 0.04 -0.09 -0.03 14 6 -0.08 0.00 -0.09 -0.02 -0.02 0.02 0.02 0.02 -0.01 15 6 0.08 0.00 0.09 0.02 -0.02 -0.02 0.02 -0.02 -0.01 16 6 -0.03 0.02 -0.02 -0.01 0.14 -0.02 0.04 0.09 -0.03 17 1 -0.17 0.01 -0.17 0.04 0.19 0.19 0.32 -0.20 -0.24 18 1 0.40 -0.09 0.49 -0.18 -0.20 0.05 -0.01 0.11 -0.13 19 1 -0.40 -0.09 -0.49 0.18 -0.20 -0.05 -0.01 -0.11 -0.13 20 1 0.17 0.01 0.17 -0.04 0.18 -0.19 0.32 0.20 -0.24 21 6 0.00 -0.01 0.00 0.00 -0.14 0.00 -0.21 0.00 0.09 22 1 0.00 -0.08 0.00 0.00 -0.62 0.00 -0.03 0.00 0.59 23 1 0.00 0.06 0.00 0.00 -0.48 0.00 0.23 0.00 -0.23 31 32 33 A A A Frequencies -- 1001.6277 1025.2644 1029.8030 Red. masses -- 1.3742 1.2704 1.2828 Frc consts -- 0.8123 0.7868 0.8015 IR Inten -- 0.6631 0.3543 0.1159 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.01 0.02 0.04 0.01 0.09 0.07 -0.02 0.01 2 1 -0.02 0.06 -0.04 -0.42 -0.03 -0.48 -0.09 0.05 -0.29 3 6 -0.01 -0.01 0.02 -0.04 0.01 -0.09 -0.07 -0.02 -0.01 4 1 -0.02 -0.06 -0.04 0.42 -0.03 0.48 0.09 0.05 0.29 5 6 0.01 0.00 -0.04 -0.01 0.00 0.01 0.02 0.01 0.00 6 6 0.04 0.02 0.03 0.01 0.00 0.03 -0.02 -0.01 -0.06 7 1 -0.23 0.24 -0.27 -0.24 0.04 -0.13 0.51 -0.10 0.31 8 6 0.04 -0.02 0.03 -0.01 0.00 -0.03 0.02 -0.01 0.06 9 1 -0.23 -0.24 -0.27 0.24 0.04 0.13 -0.51 -0.10 -0.31 10 6 0.01 0.00 -0.04 0.01 0.00 -0.01 -0.02 0.01 0.00 11 8 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.02 0.00 12 8 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.02 0.00 13 6 0.05 0.02 0.06 0.01 0.01 0.01 -0.01 -0.01 -0.02 14 6 -0.01 -0.02 -0.03 0.00 0.00 0.00 0.01 0.00 -0.01 15 6 -0.01 0.02 -0.03 0.00 0.00 0.00 -0.01 0.00 0.01 16 6 0.05 -0.02 0.06 -0.01 0.01 -0.01 0.01 -0.01 0.02 17 1 -0.39 0.04 -0.22 -0.03 0.01 -0.02 0.06 -0.02 0.03 18 1 0.04 -0.15 0.15 -0.01 -0.03 0.03 0.01 0.04 -0.04 19 1 0.04 0.15 0.15 0.01 -0.03 -0.03 -0.01 0.04 0.04 20 1 -0.39 -0.04 -0.22 0.03 0.01 0.02 -0.06 -0.02 -0.03 21 6 -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 0.02 0.00 22 1 0.03 0.00 0.18 0.00 -0.08 0.00 0.00 0.16 0.00 23 1 0.16 0.00 -0.19 0.00 0.03 0.00 0.00 -0.08 0.00 34 35 36 A A A Frequencies -- 1077.9344 1098.5305 1104.6467 Red. masses -- 1.5493 1.1950 1.2629 Frc consts -- 1.0607 0.8497 0.9079 IR Inten -- 46.4420 0.0688 19.5188 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 0.03 0.03 0.00 0.00 0.00 -0.01 0.01 0.01 2 1 0.13 0.36 -0.08 0.00 0.00 0.00 0.07 0.16 -0.03 3 6 -0.05 -0.03 0.03 0.00 0.00 0.00 -0.01 -0.01 0.01 4 1 0.13 -0.36 -0.08 0.00 0.00 0.00 0.07 -0.16 -0.03 5 6 0.08 -0.01 -0.05 0.00 0.00 0.00 0.03 0.00 -0.01 6 6 -0.04 0.06 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 7 1 0.21 0.44 -0.07 -0.02 0.00 -0.01 0.06 0.06 0.02 8 6 -0.04 -0.06 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 9 1 0.21 -0.44 -0.07 0.02 0.00 0.01 0.06 -0.06 0.02 10 6 0.08 0.01 -0.05 0.00 0.00 0.00 0.03 0.00 -0.01 11 8 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 12 8 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 13 6 -0.01 0.02 -0.04 -0.03 -0.03 0.06 -0.03 -0.02 0.04 14 6 -0.02 0.01 0.03 0.02 0.03 -0.03 0.05 0.03 -0.05 15 6 -0.02 -0.01 0.03 -0.02 0.03 0.03 0.05 -0.03 -0.05 16 6 -0.01 -0.02 -0.04 0.03 -0.03 -0.06 -0.03 0.02 0.04 17 1 0.24 -0.01 0.00 -0.39 0.09 0.32 -0.29 0.07 0.24 18 1 -0.10 -0.05 0.01 0.20 0.30 -0.13 0.30 0.41 -0.20 19 1 -0.10 0.05 0.01 -0.20 0.30 0.13 0.30 -0.41 -0.20 20 1 0.24 0.01 0.00 0.39 0.09 -0.32 -0.29 -0.07 0.24 21 6 0.03 0.00 0.01 0.00 -0.02 0.00 -0.03 0.00 0.03 22 1 0.00 0.00 -0.09 0.00 -0.01 0.00 -0.02 0.00 0.08 23 1 -0.04 0.00 0.05 0.00 -0.40 0.00 0.00 0.00 0.01 37 38 39 A A A Frequencies -- 1128.9892 1137.0136 1164.7447 Red. masses -- 2.2788 1.1631 1.1331 Frc consts -- 1.7113 0.8859 0.9057 IR Inten -- 0.4738 4.8094 17.0948 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 2 1 -0.05 -0.10 0.03 -0.01 -0.01 0.01 0.22 0.47 -0.17 3 6 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 4 1 -0.05 0.10 0.03 0.01 -0.01 -0.01 0.22 -0.47 -0.17 5 6 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 6 6 0.02 0.01 0.00 -0.01 0.00 -0.02 -0.01 -0.05 0.01 7 1 -0.05 0.00 -0.04 0.05 -0.02 0.03 -0.21 -0.36 0.10 8 6 0.02 -0.01 0.00 0.01 0.00 0.02 -0.01 0.05 0.01 9 1 -0.05 0.00 -0.04 -0.05 -0.02 -0.03 -0.21 0.36 0.10 10 6 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 13 6 0.06 0.13 0.00 -0.07 0.00 -0.03 0.01 0.01 0.01 14 6 -0.10 0.14 0.07 0.00 0.00 0.00 -0.01 0.01 0.01 15 6 -0.10 -0.14 0.07 0.00 0.00 0.00 -0.01 -0.01 0.01 16 6 0.06 -0.13 0.00 0.07 0.00 0.03 0.01 -0.01 0.01 17 1 0.14 0.06 -0.31 -0.03 0.05 0.22 0.02 -0.02 -0.09 18 1 0.14 0.53 -0.04 0.10 0.12 -0.02 -0.04 -0.04 0.03 19 1 0.14 -0.53 -0.04 -0.10 0.12 0.02 -0.04 0.04 0.03 20 1 0.14 -0.06 -0.31 0.03 0.05 -0.22 0.02 0.02 -0.09 21 6 0.02 0.00 -0.06 0.00 -0.06 0.00 0.00 0.00 -0.02 22 1 0.02 0.00 -0.08 0.00 -0.48 0.00 0.01 0.00 -0.01 23 1 0.06 0.00 -0.09 0.00 0.78 0.00 0.02 0.00 -0.03 40 41 42 A A A Frequencies -- 1239.3713 1303.5306 1317.9787 Red. masses -- 2.1098 1.6770 2.7522 Frc consts -- 1.9094 1.6789 2.8168 IR Inten -- 0.7531 1.3478 211.4833 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 -0.03 -0.03 0.00 0.00 0.00 -0.06 -0.02 0.04 2 1 0.23 0.35 -0.17 0.01 0.01 0.00 -0.24 -0.36 0.18 3 6 -0.04 -0.03 0.03 0.00 0.00 0.00 -0.06 0.02 0.04 4 1 -0.23 0.35 0.17 -0.01 0.01 0.00 -0.24 0.36 0.18 5 6 0.16 0.00 -0.13 0.00 0.00 0.00 0.20 -0.01 -0.16 6 6 -0.04 0.02 0.04 0.00 0.00 0.00 -0.07 -0.02 0.05 7 1 -0.34 -0.34 0.11 -0.02 0.00 -0.01 -0.24 -0.34 0.16 8 6 0.04 0.02 -0.04 0.00 0.00 0.00 -0.07 0.02 0.05 9 1 0.34 -0.34 -0.11 0.02 0.00 0.01 -0.24 0.34 0.16 10 6 -0.16 0.00 0.13 0.00 0.00 0.00 0.20 0.01 -0.16 11 8 -0.02 0.00 0.02 0.00 0.00 0.00 -0.03 0.01 0.02 12 8 0.02 0.00 -0.02 0.00 0.00 0.00 -0.03 -0.01 0.02 13 6 -0.01 0.00 -0.01 0.00 0.06 0.01 -0.01 0.00 0.01 14 6 0.00 0.00 0.00 0.05 0.01 -0.04 0.01 0.00 0.00 15 6 0.00 0.00 0.00 -0.05 0.01 0.04 0.01 0.00 0.00 16 6 0.01 0.00 0.01 0.00 0.06 -0.01 -0.01 0.00 0.01 17 1 0.00 0.00 0.02 -0.08 0.11 0.15 0.03 -0.02 -0.02 18 1 0.01 0.01 0.01 -0.04 -0.15 0.03 -0.01 -0.01 0.00 19 1 -0.01 0.01 -0.01 0.04 -0.15 -0.03 -0.01 0.01 0.00 20 1 0.00 0.00 -0.02 0.08 0.11 -0.15 0.03 0.02 -0.02 21 6 0.00 0.00 0.00 0.00 -0.21 0.00 0.01 0.00 0.00 22 1 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 0.00 -0.03 23 1 0.00 0.07 0.00 0.00 0.31 0.00 0.02 0.00 -0.02 43 44 45 A A A Frequencies -- 1326.2799 1384.7128 1389.9709 Red. masses -- 1.5938 3.1916 1.5408 Frc consts -- 1.6518 3.6056 1.7539 IR Inten -- 0.4609 18.3845 2.3919 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 -0.01 0.00 -0.05 -0.05 0.04 2 1 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.16 0.37 -0.12 3 6 0.00 0.00 0.00 0.00 0.01 0.00 0.05 -0.05 -0.04 4 1 0.01 -0.01 0.00 0.00 0.01 0.01 -0.16 0.37 0.12 5 6 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.01 0.00 6 6 0.00 0.00 0.00 -0.04 -0.11 -0.01 -0.07 -0.07 0.06 7 1 0.02 0.00 0.01 0.18 0.17 -0.08 0.19 0.49 -0.15 8 6 0.00 0.00 0.00 -0.04 0.11 -0.01 0.07 -0.07 -0.06 9 1 -0.02 0.00 -0.01 0.18 -0.17 -0.08 -0.19 0.49 0.15 10 6 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 11 8 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.04 0.00 12 8 0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.04 0.00 13 6 0.07 -0.08 -0.09 -0.12 -0.03 0.18 0.00 0.00 -0.01 14 6 0.00 0.07 0.01 0.09 0.13 -0.07 0.00 0.00 0.00 15 6 0.00 0.07 -0.01 0.09 -0.13 -0.07 0.00 0.00 0.00 16 6 -0.07 -0.08 0.09 -0.12 0.03 0.18 0.00 0.00 0.01 17 1 -0.33 0.09 0.34 0.20 -0.25 -0.45 -0.01 0.01 0.01 18 1 -0.27 -0.36 0.18 -0.05 -0.13 0.03 0.01 0.01 0.00 19 1 0.27 -0.36 -0.18 -0.05 0.13 0.03 -0.01 0.01 0.00 20 1 0.33 0.09 -0.34 0.20 0.25 -0.45 0.01 0.01 -0.01 21 6 0.00 0.06 0.00 0.06 0.00 -0.11 0.00 0.00 0.00 22 1 0.00 -0.04 0.00 0.07 0.00 -0.11 0.00 -0.01 0.00 23 1 0.00 0.04 0.00 -0.06 0.00 -0.01 0.00 0.01 0.00 46 47 48 A A A Frequencies -- 1402.3960 1464.4165 1492.9763 Red. masses -- 2.2056 3.3631 1.6540 Frc consts -- 2.5557 4.2493 2.1721 IR Inten -- 0.0062 7.5327 14.7354 Atom AN X Y Z X Y Z X Y Z 1 6 -0.12 -0.07 0.09 0.01 0.03 0.00 0.00 -0.01 0.00 2 1 0.17 0.51 -0.14 0.00 0.02 0.00 0.01 0.00 -0.01 3 6 0.12 -0.07 -0.09 0.01 -0.03 0.00 0.00 0.01 0.00 4 1 -0.17 0.51 0.14 0.00 -0.02 0.00 0.01 0.00 -0.01 5 6 -0.09 0.00 0.06 -0.02 0.01 0.00 0.00 -0.01 0.00 6 6 0.08 0.05 -0.08 0.06 0.26 -0.01 -0.01 -0.09 0.01 7 1 -0.06 -0.34 0.10 -0.27 -0.22 0.14 0.07 0.07 -0.06 8 6 -0.08 0.05 0.08 0.06 -0.26 -0.01 -0.01 0.09 0.01 9 1 0.06 -0.34 -0.10 -0.27 0.22 0.14 0.07 -0.07 -0.06 10 6 0.09 0.00 -0.06 -0.02 -0.01 0.00 0.00 0.01 0.00 11 8 0.01 0.00 0.00 -0.01 -0.04 0.00 0.00 0.02 0.00 12 8 -0.01 0.00 0.00 -0.01 0.04 0.00 0.00 -0.02 0.00 13 6 0.00 0.00 0.01 -0.11 0.03 0.09 -0.01 0.03 0.02 14 6 0.01 0.00 0.00 0.04 -0.10 -0.03 -0.01 -0.13 0.01 15 6 -0.01 0.00 0.00 0.04 0.10 -0.03 -0.01 0.13 0.01 16 6 0.00 0.00 -0.01 -0.11 -0.03 0.09 -0.01 -0.03 0.02 17 1 0.00 -0.01 -0.01 0.29 -0.13 -0.27 0.12 -0.02 -0.11 18 1 -0.01 -0.02 0.00 0.19 0.13 -0.15 0.14 0.12 -0.12 19 1 0.01 -0.02 0.00 0.19 -0.13 -0.15 0.14 -0.12 -0.12 20 1 0.00 -0.01 0.01 0.29 0.13 -0.27 0.12 0.02 -0.11 21 6 0.00 0.00 0.00 0.03 0.00 -0.04 -0.02 0.00 0.06 22 1 0.00 0.00 0.00 0.01 0.00 -0.11 -0.23 0.00 -0.58 23 1 0.00 -0.02 0.00 0.01 0.00 -0.04 0.50 0.00 -0.36 49 50 51 A A A Frequencies -- 1508.2686 1510.2933 1672.2592 Red. masses -- 1.6883 3.1752 7.8814 Frc consts -- 2.2629 4.2673 12.9856 IR Inten -- 2.7350 15.2421 28.5623 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.01 0.00 0.00 0.00 0.00 0.04 0.52 -0.04 2 1 0.00 0.00 0.00 0.00 0.01 0.00 -0.34 -0.11 0.26 3 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.04 -0.52 -0.04 4 1 0.00 0.00 0.00 0.00 0.01 0.00 -0.34 0.11 0.26 5 6 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 -0.10 0.00 6 6 0.01 0.08 -0.01 0.02 0.00 0.00 0.00 -0.03 0.00 7 1 -0.05 -0.05 0.05 -0.02 -0.02 -0.01 0.03 0.01 -0.02 8 6 0.01 -0.08 -0.01 -0.02 0.00 0.00 0.00 0.03 0.00 9 1 -0.05 0.05 0.05 0.02 -0.02 0.01 0.03 -0.01 -0.02 10 6 -0.01 0.00 0.00 0.01 0.01 0.00 -0.02 0.10 0.00 11 8 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.12 0.02 12 8 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.12 0.02 13 6 0.01 -0.05 -0.01 0.14 0.04 -0.12 0.01 0.00 0.00 14 6 0.02 0.13 -0.01 -0.18 -0.09 0.14 0.00 -0.01 0.00 15 6 0.02 -0.13 -0.01 0.18 -0.09 -0.14 0.00 0.01 0.00 16 6 0.01 0.05 -0.01 -0.14 0.04 0.12 0.01 0.00 0.00 17 1 -0.13 0.00 0.12 -0.11 0.18 0.14 -0.01 0.00 -0.01 18 1 -0.15 -0.14 0.11 0.14 0.50 -0.10 0.01 0.00 0.00 19 1 -0.15 0.14 0.11 -0.14 0.50 0.10 0.01 0.00 0.00 20 1 -0.13 0.00 0.12 0.11 0.18 -0.14 -0.01 0.00 -0.01 21 6 -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 22 1 -0.25 0.00 -0.60 0.00 0.33 0.00 0.01 0.00 0.03 23 1 0.48 0.00 -0.32 0.00 0.08 0.00 -0.01 0.00 0.00 52 53 54 A A A Frequencies -- 1740.9427 1741.1514 3021.4401 Red. masses -- 10.7909 9.8913 1.0729 Frc consts -- 19.2698 17.6676 5.7710 IR Inten -- 387.5431 71.9162 12.6034 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.05 0.00 0.01 0.17 -0.02 0.00 0.00 0.00 2 1 0.10 0.18 -0.08 -0.16 -0.20 0.14 0.00 0.00 0.00 3 6 0.00 -0.05 0.00 0.01 -0.17 -0.02 0.00 0.00 0.00 4 1 -0.10 0.18 0.08 -0.16 0.20 0.14 0.00 0.00 0.00 5 6 0.05 0.53 0.04 0.05 0.49 0.03 0.00 0.00 0.00 6 6 -0.01 -0.06 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 7 1 0.10 0.18 -0.07 0.11 0.17 -0.06 0.00 0.00 0.00 8 6 0.01 -0.06 -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 9 1 -0.10 0.18 0.07 0.11 -0.17 -0.06 0.00 0.00 0.00 10 6 -0.05 0.53 -0.04 0.05 -0.49 0.03 0.00 0.00 0.00 11 8 -0.03 -0.34 -0.02 -0.03 -0.30 -0.02 0.00 0.00 0.00 12 8 0.03 -0.34 0.02 -0.03 0.30 -0.02 0.00 0.00 0.00 13 6 -0.02 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 14 6 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 16 6 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 17 1 0.04 -0.01 0.02 0.04 0.01 0.02 -0.01 -0.01 0.01 18 1 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 19 1 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 20 1 -0.04 -0.01 -0.02 0.04 -0.01 0.02 -0.01 0.01 0.01 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.07 22 1 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.13 0.00 -0.02 23 1 0.00 0.02 0.00 0.01 0.00 -0.01 -0.60 0.00 -0.78 55 56 57 A A A Frequencies -- 3165.4779 3192.0908 3210.5671 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 0.04 -0.03 -0.03 -0.04 0.04 0.03 2 1 0.00 0.00 0.00 -0.48 0.37 0.35 0.48 -0.38 -0.35 3 6 0.00 0.00 0.00 -0.04 -0.03 0.03 -0.04 -0.04 0.03 4 1 0.00 0.00 0.00 0.48 0.37 -0.35 0.48 0.38 -0.35 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.02 -0.03 -0.04 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.02 0.03 -0.04 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 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 0.00 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 1 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 22 1 -0.94 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 23 1 -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 3214.0107 3216.1723 3226.2897 Red. masses -- 1.0880 1.0869 1.0925 Frc consts -- 6.6219 6.6237 6.6999 IR Inten -- 3.3298 1.2018 4.1931 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 -0.03 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.03 -0.03 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 -0.03 0.03 0.05 0.00 0.00 0.00 0.02 -0.03 -0.04 7 1 0.31 -0.35 -0.53 -0.02 0.02 0.02 -0.29 0.32 0.48 8 6 0.03 0.03 -0.05 0.00 0.00 0.00 0.02 0.03 -0.04 9 1 -0.31 -0.35 0.53 0.02 0.02 -0.02 -0.29 -0.32 0.48 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 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 -0.02 0.00 0.00 0.02 0.00 14 6 0.00 0.00 0.00 -0.03 0.03 0.03 0.01 -0.01 -0.01 15 6 0.00 0.00 0.00 0.03 0.03 -0.03 0.01 0.01 -0.01 16 6 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 17 1 0.00 0.02 0.00 0.05 0.27 -0.06 -0.03 -0.19 0.04 18 1 0.02 -0.02 -0.01 0.38 -0.37 -0.37 -0.11 0.11 0.11 19 1 -0.02 -0.02 0.01 -0.38 -0.37 0.37 -0.11 -0.11 0.11 20 1 0.00 0.02 0.00 -0.05 0.27 0.06 -0.03 0.19 0.04 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 3228.0494 3236.9754 3243.7688 Red. masses -- 1.0922 1.0952 1.1035 Frc consts -- 6.7052 6.7612 6.8412 IR Inten -- 3.9654 5.7701 5.8304 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 0.01 -0.01 -0.01 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 1 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 7 1 -0.12 0.14 0.21 0.00 0.01 0.01 0.00 0.00 0.00 8 6 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 9 1 -0.12 -0.14 0.21 0.00 0.01 -0.01 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 -0.01 -0.04 0.01 -0.01 -0.05 0.01 -0.01 -0.04 0.01 14 6 -0.02 0.03 0.02 0.02 -0.01 -0.02 0.03 -0.03 -0.03 15 6 -0.02 -0.03 0.02 -0.02 -0.01 0.02 0.03 0.03 -0.03 16 6 -0.01 0.04 0.01 0.01 -0.05 -0.01 -0.01 0.04 0.01 17 1 0.08 0.45 -0.11 0.11 0.62 -0.15 0.09 0.47 -0.11 18 1 0.26 -0.26 -0.25 -0.17 0.16 0.16 -0.30 0.29 0.29 19 1 0.26 0.26 -0.25 0.17 0.16 -0.16 -0.30 -0.29 0.29 20 1 0.08 -0.45 -0.11 -0.11 0.62 0.15 0.09 -0.47 -0.11 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.04 0.00 -0.01 0.00 0.00 0.00 0.04 0.00 -0.02 23 1 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 1 and mass 1.00783 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 1 and mass 1.00783 Atom 5 has atomic number 6 and mass 12.00000 Atom 6 has atomic number 6 and mass 12.00000 Atom 7 has atomic number 1 and mass 1.00783 Atom 8 has atomic number 6 and mass 12.00000 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 6 and mass 12.00000 Atom 11 has atomic number 8 and mass 15.99491 Atom 12 has atomic number 8 and mass 15.99491 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 1 and mass 1.00783 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 6 and mass 12.00000 Atom 22 has atomic number 1 and mass 1.00783 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 174.06808 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 1605.699612035.206833050.96685 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: 114.29 140.79 174.53 226.36 257.76 (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 1159.13 1165.27 1216.62 1228.07 1292.38 1319.42 1341.34 1392.76 1415.45 1415.83 1441.12 1475.12 1481.65 1550.91 1580.54 1589.34 1624.36 1635.91 1675.81 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 2505.13 4347.17 4554.41 4592.70 4619.28 4624.24 4627.35 4641.91 4644.44 4657.28 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 16.544242 38.094524 Vib (Bot) 0.155257D-80 -80.808949 -186.069480 Vib (Bot) 1 0.259292D+01 0.413789 0.952784 Vib (Bot) 2 0.209807D+01 0.321820 0.741018 Vib (Bot) 3 0.168412D+01 0.226373 0.521244 Vib (Bot) 4 0.128604D+01 0.109255 0.251570 Vib (Bot) 5 0.112144D+01 0.049775 0.114612 Vib (Bot) 6 0.761305D+00 -0.118441 -0.272721 Vib (Bot) 7 0.691979D+00 -0.159907 -0.368199 Vib (Bot) 8 0.422446D+00 -0.374228 -0.861693 Vib (Bot) 9 0.386115D+00 -0.413283 -0.951619 Vib (Bot) 10 0.383129D+00 -0.416654 -0.959382 Vib (Bot) 11 0.353503D+00 -0.451607 -1.039864 Vib (Bot) 12 0.352817D+00 -0.452451 -1.041807 Vib (Bot) 13 0.275156D+00 -0.560422 -1.290418 Vib (Bot) 14 0.256068D+00 -0.591645 -1.362312 Vib (V=0) 0.343168D+03 2.535506 5.838219 Vib (V=0) 1 0.314069D+01 0.497025 1.144441 Vib (V=0) 2 0.265683D+01 0.424363 0.977132 Vib (V=0) 3 0.225678D+01 0.353489 0.813938 Vib (V=0) 4 0.187982D+01 0.274116 0.631177 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 0.131528 0.302855 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 0.106469 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 6.053202 13.938012 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000348 0.000000242 -0.000000354 2 1 0.000000167 0.000000775 0.000000204 3 6 0.000000103 -0.000000151 -0.000000432 4 1 0.000000210 -0.000000882 0.000000204 5 6 0.000000061 0.000001495 -0.000000225 6 6 -0.000008524 0.000008782 0.000002490 7 1 -0.000003232 -0.000000307 0.000002065 8 6 -0.000010901 -0.000008602 0.000003132 9 1 -0.000002557 0.000000152 0.000001194 10 6 0.000001729 -0.000001198 -0.000000562 11 8 0.000001339 -0.000001919 0.000001413 12 8 0.000001207 0.000001774 0.000001520 13 6 0.000005372 -0.000004005 0.000001055 14 6 0.000011057 -0.000007336 -0.000004459 15 6 0.000009746 0.000007803 -0.000004060 16 6 0.000006651 0.000002930 0.000001136 17 1 -0.000002818 0.000000062 -0.000002144 18 1 -0.000000511 0.000000110 -0.000001373 19 1 -0.000000494 -0.000000080 -0.000001404 20 1 -0.000003660 -0.000000074 -0.000001888 21 6 -0.000004037 0.000000491 0.000002209 22 1 -0.000000921 -0.000000075 0.000001299 23 1 -0.000000332 0.000000016 -0.000001020 ------------------------------------------------------------------- Cartesian Forces: Max 0.000011057 RMS 0.000003676 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000010849 RMS 0.000002834 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 0.07104 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 0.35539 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: R10 R13 D23 D19 D80 1 0.57796 0.57794 0.14331 -0.14330 0.14234 D61 D16 D40 R9 D63 1 -0.14234 -0.11120 0.11120 -0.10951 -0.10492 Angle between quadratic step and forces= 68.57 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009753 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 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R2 2.53957 0.00000 0.00000 0.00000 0.00000 2.53957 R3 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R4 2.05449 0.00000 0.00000 0.00000 0.00000 2.05449 R5 2.81739 0.00000 0.00000 0.00000 0.00000 2.81739 R6 2.80126 0.00000 0.00000 -0.00001 -0.00001 2.80125 R7 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R8 2.04818 0.00000 0.00000 -0.00001 -0.00001 2.04818 R9 2.66703 0.00001 0.00000 -0.00002 -0.00002 2.66701 R10 4.20678 -0.00001 0.00000 0.00018 0.00018 4.20696 R11 2.04818 0.00000 0.00000 0.00000 0.00000 2.04818 R12 2.80125 0.00000 0.00000 0.00000 0.00000 2.80125 R13 4.20678 -0.00001 0.00000 0.00018 0.00018 4.20696 R14 2.32035 0.00000 0.00000 0.00000 0.00000 2.32035 R15 2.65688 -0.00001 0.00000 -0.00004 -0.00004 2.65684 R16 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R17 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R18 2.64421 -0.00001 0.00000 0.00000 0.00000 2.64421 R19 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R20 2.65688 0.00000 0.00000 -0.00004 -0.00004 2.65684 R21 2.05021 0.00000 0.00000 0.00000 0.00000 2.05021 R22 2.04955 0.00000 0.00000 0.00000 0.00000 2.04955 R23 2.85155 0.00000 0.00000 -0.00001 -0.00001 2.85153 R24 2.05907 0.00000 0.00000 0.00001 0.00001 2.05908 R25 2.08355 0.00000 0.00000 0.00000 0.00000 2.08355 A1 2.13800 0.00000 0.00000 0.00000 0.00000 2.13800 A2 2.01722 0.00000 0.00000 0.00000 0.00000 2.01722 A3 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A4 2.13801 0.00000 0.00000 -0.00001 -0.00001 2.13800 A5 2.12751 0.00000 0.00000 0.00000 0.00000 2.12751 A6 2.01722 0.00000 0.00000 0.00001 0.00001 2.01722 A7 2.04590 0.00000 0.00000 0.00000 0.00000 2.04589 A8 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 A9 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A10 1.98025 0.00000 0.00000 0.00003 0.00003 1.98028 A11 2.10446 0.00000 0.00000 0.00001 0.00001 2.10447 A12 1.72686 0.00000 0.00000 0.00001 0.00001 1.72687 A13 2.09599 0.00000 0.00000 0.00002 0.00002 2.09602 A14 1.62991 0.00000 0.00000 -0.00013 -0.00013 1.62979 A15 1.77419 0.00000 0.00000 0.00000 0.00000 1.77418 A16 2.09600 0.00000 0.00000 0.00002 0.00002 2.09602 A17 2.10447 0.00000 0.00000 0.00000 0.00000 2.10447 A18 1.77419 0.00000 0.00000 0.00000 0.00000 1.77418 A19 1.98025 0.00000 0.00000 0.00002 0.00002 1.98028 A20 1.62990 0.00000 0.00000 -0.00011 -0.00011 1.62979 A21 1.72684 0.00000 0.00000 0.00003 0.00003 1.72687 A22 2.04589 0.00000 0.00000 0.00000 0.00000 2.04589 A23 2.09772 0.00000 0.00000 -0.00001 -0.00001 2.09771 A24 2.13945 0.00000 0.00000 0.00001 0.00001 2.13945 A25 1.70839 -0.00001 0.00000 -0.00017 -0.00017 1.70822 A26 1.78852 0.00000 0.00000 0.00001 0.00001 1.78853 A27 1.59616 0.00001 0.00000 0.00003 0.00003 1.59618 A28 2.17518 0.00000 0.00000 -0.00001 -0.00001 2.17517 A29 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A30 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A31 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A32 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A33 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A34 1.90087 0.00000 0.00000 0.00001 0.00001 1.90088 A35 2.18947 0.00000 0.00000 -0.00001 -0.00001 2.18946 A36 2.18447 0.00000 0.00000 0.00000 0.00000 2.18447 A37 1.70839 -0.00001 0.00000 -0.00016 -0.00016 1.70822 A38 1.78850 0.00000 0.00000 0.00003 0.00003 1.78852 A39 1.59616 0.00001 0.00000 0.00002 0.00002 1.59618 A40 2.17519 0.00000 0.00000 -0.00001 -0.00001 2.17517 A41 1.85759 0.00000 0.00000 0.00003 0.00003 1.85762 A42 2.15853 0.00000 0.00000 0.00004 0.00004 2.15857 A43 1.74405 0.00000 0.00000 0.00002 0.00002 1.74407 A44 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A45 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A46 2.03130 0.00000 0.00000 0.00000 0.00000 2.03130 A47 1.88551 0.00000 0.00000 -0.00001 -0.00001 1.88550 A48 1.87693 0.00000 0.00000 -0.00001 -0.00001 1.87692 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 3.10794 0.00000 0.00000 -0.00001 -0.00001 3.10794 D3 -3.10794 0.00000 0.00000 0.00000 0.00000 -3.10794 D4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D5 3.06304 0.00000 0.00000 0.00003 0.00003 3.06307 D6 -0.09519 0.00000 0.00000 0.00003 0.00003 -0.09516 D7 -0.11002 0.00000 0.00000 0.00003 0.00003 -0.10999 D8 3.01493 0.00000 0.00000 0.00002 0.00002 3.01496 D9 0.11002 0.00000 0.00000 -0.00003 -0.00003 0.10999 D10 -3.01494 0.00000 0.00000 -0.00002 -0.00002 -3.01496 D11 -3.06303 0.00000 0.00000 -0.00004 -0.00004 -3.06307 D12 0.09519 0.00000 0.00000 -0.00003 -0.00003 0.09516 D13 -2.77941 0.00000 0.00000 -0.00009 -0.00009 -2.77949 D14 -0.10850 0.00000 0.00000 0.00004 0.00004 -0.10846 D15 1.79910 0.00000 0.00000 0.00004 0.00004 1.79914 D16 0.34512 0.00000 0.00000 -0.00010 -0.00010 0.34502 D17 3.01603 0.00000 0.00000 0.00003 0.00003 3.01606 D18 -1.35956 0.00000 0.00000 0.00003 0.00003 -1.35952 D19 -2.64004 0.00000 0.00000 -0.00012 -0.00012 -2.64015 D20 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D21 1.88198 0.00000 0.00000 0.00002 0.00002 1.88200 D22 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D23 2.64003 0.00000 0.00000 0.00013 0.00013 2.64015 D24 -1.76119 0.00000 0.00000 0.00015 0.00015 -1.76103 D25 1.76116 0.00000 0.00000 -0.00013 -0.00013 1.76103 D26 -1.88198 0.00000 0.00000 -0.00002 -0.00002 -1.88200 D27 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D28 2.92045 0.00000 0.00000 -0.00006 -0.00006 2.92039 D29 0.68323 0.00000 0.00000 0.00001 0.00001 0.68324 D30 -1.49856 0.00000 0.00000 -0.00003 -0.00003 -1.49860 D31 0.92388 0.00000 0.00000 -0.00006 -0.00006 0.92382 D32 -1.31334 0.00000 0.00000 0.00001 0.00001 -1.31333 D33 2.78805 0.00000 0.00000 -0.00004 -0.00004 2.78802 D34 -1.19967 0.00000 0.00000 -0.00005 -0.00005 -1.19972 D35 2.84629 0.00000 0.00000 0.00002 0.00002 2.84631 D36 0.66450 0.00000 0.00000 -0.00002 -0.00002 0.66447 D37 0.10848 0.00000 0.00000 -0.00002 -0.00002 0.10846 D38 -3.01605 0.00000 0.00000 -0.00002 -0.00002 -3.01606 D39 2.77942 0.00000 0.00000 0.00007 0.00007 2.77949 D40 -0.34511 0.00000 0.00000 0.00008 0.00008 -0.34502 D41 -1.79911 0.00000 0.00000 -0.00004 -0.00004 -1.79914 D42 1.35955 0.00000 0.00000 -0.00003 -0.00003 1.35952 D43 1.19969 0.00000 0.00000 0.00003 0.00003 1.19972 D44 -2.84627 0.00000 0.00000 -0.00004 -0.00004 -2.84631 D45 -0.66448 0.00000 0.00000 0.00001 0.00001 -0.66447 D46 -0.92387 0.00000 0.00000 0.00004 0.00004 -0.92382 D47 1.31336 0.00000 0.00000 -0.00003 -0.00003 1.31333 D48 -2.78804 0.00000 0.00000 0.00002 0.00002 -2.78802 D49 -2.92043 0.00000 0.00000 0.00004 0.00004 -2.92039 D50 -0.68321 0.00000 0.00000 -0.00003 -0.00003 -0.68324 D51 1.49858 0.00000 0.00000 0.00002 0.00002 1.49860 D52 1.30467 0.00001 0.00000 0.00007 0.00007 1.30474 D53 -1.70419 0.00000 0.00000 0.00006 0.00006 -1.70414 D54 -3.03877 0.00000 0.00000 -0.00005 -0.00005 -3.03882 D55 0.23556 0.00000 0.00000 -0.00007 -0.00007 0.23549 D56 -0.33371 0.00000 0.00000 0.00009 0.00009 -0.33362 D57 2.94061 0.00000 0.00000 0.00008 0.00008 2.94069 D58 -1.21931 0.00001 0.00000 0.00003 0.00003 -1.21928 D59 0.98308 0.00001 0.00000 0.00005 0.00005 0.98313 D60 3.09522 0.00001 0.00000 0.00004 0.00004 3.09525 D61 0.50260 0.00000 0.00000 -0.00014 -0.00014 0.50246 D62 2.70499 0.00000 0.00000 -0.00012 -0.00012 2.70487 D63 -1.46606 0.00000 0.00000 -0.00013 -0.00013 -1.46619 D64 -3.07030 0.00000 0.00000 -0.00001 -0.00001 -3.07031 D65 -0.86791 0.00000 0.00000 0.00001 0.00001 -0.86789 D66 1.24423 0.00000 0.00000 0.00000 0.00000 1.24423 D67 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D68 -3.00839 0.00000 0.00000 -0.00002 -0.00002 -3.00840 D69 3.00839 0.00000 0.00000 0.00001 0.00001 3.00840 D70 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D71 -1.30468 0.00000 0.00000 -0.00006 -0.00006 -1.30474 D72 3.03878 0.00000 0.00000 0.00004 0.00004 3.03882 D73 0.33370 0.00000 0.00000 -0.00009 -0.00009 0.33362 D74 1.70419 0.00000 0.00000 -0.00005 -0.00005 1.70414 D75 -0.23554 0.00000 0.00000 0.00005 0.00005 -0.23549 D76 -2.94062 0.00000 0.00000 -0.00007 -0.00007 -2.94069 D77 1.21931 -0.00001 0.00000 -0.00003 -0.00003 1.21928 D78 -0.98309 -0.00001 0.00000 -0.00005 -0.00005 -0.98313 D79 -3.09522 -0.00001 0.00000 -0.00003 -0.00003 -3.09525 D80 -0.50259 0.00000 0.00000 0.00014 0.00014 -0.50246 D81 -2.70498 0.00000 0.00000 0.00011 0.00011 -2.70487 D82 1.46606 0.00000 0.00000 0.00013 0.00013 1.46619 D83 3.07028 0.00000 0.00000 0.00003 0.00003 3.07031 D84 0.86789 0.00000 0.00000 0.00001 0.00001 0.86789 D85 -1.24425 0.00000 0.00000 0.00002 0.00002 -1.24423 Item Value Threshold Converged? Maximum Force 0.000011 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000376 0.001800 YES RMS Displacement 0.000098 0.001200 YES Predicted change in Energy=-4.453532D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0872 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3439 -DE/DX = 0.0 ! ! R3 R(1,10) 1.4909 -DE/DX = 0.0 ! ! R4 R(3,4) 1.0872 -DE/DX = 0.0 ! ! R5 R(3,5) 1.4909 -DE/DX = 0.0 ! ! R6 R(5,6) 1.4824 -DE/DX = 0.0 ! ! R7 R(5,11) 1.2279 -DE/DX = 0.0 ! ! R8 R(6,7) 1.0839 -DE/DX = 0.0 ! ! R9 R(6,8) 1.4113 -DE/DX = 0.0 ! ! R10 R(6,13) 2.2261 -DE/DX = 0.0 ! ! R11 R(8,9) 1.0839 -DE/DX = 0.0 ! ! R12 R(8,10) 1.4824 -DE/DX = 0.0 ! ! R13 R(8,16) 2.2261 -DE/DX = 0.0 ! ! R14 R(10,12) 1.2279 -DE/DX = 0.0 ! ! R15 R(13,14) 1.406 -DE/DX = 0.0 ! ! R16 R(13,17) 1.0846 -DE/DX = 0.0 ! ! R17 R(13,21) 1.509 -DE/DX = 0.0 ! ! R18 R(14,15) 1.3993 -DE/DX = 0.0 ! ! R19 R(14,18) 1.0849 -DE/DX = 0.0 ! ! R20 R(15,16) 1.406 -DE/DX = 0.0 ! ! R21 R(15,19) 1.0849 -DE/DX = 0.0 ! ! R22 R(16,20) 1.0846 -DE/DX = 0.0 ! ! R23 R(16,21) 1.509 -DE/DX = 0.0 ! ! R24 R(21,22) 1.0896 -DE/DX = 0.0 ! ! R25 R(21,23) 1.1026 -DE/DX = 0.0 ! ! A1 A(2,1,3) 122.4987 -DE/DX = 0.0 ! ! A2 A(2,1,10) 115.5781 -DE/DX = 0.0 ! ! A3 A(3,1,10) 121.8975 -DE/DX = 0.0 ! ! A4 A(1,3,4) 122.4987 -DE/DX = 0.0 ! ! A5 A(1,3,5) 121.8976 -DE/DX = 0.0 ! ! A6 A(4,3,5) 115.578 -DE/DX = 0.0 ! ! A7 A(3,5,6) 117.2212 -DE/DX = 0.0 ! ! A8 A(3,5,11) 120.1903 -DE/DX = 0.0 ! ! A9 A(6,5,11) 122.5812 -DE/DX = 0.0 ! ! A10 A(5,6,7) 113.46 -DE/DX = 0.0 ! ! A11 A(5,6,8) 120.5768 -DE/DX = 0.0 ! ! A12 A(5,6,13) 98.942 -DE/DX = 0.0 ! ! A13 A(7,6,8) 120.0916 -DE/DX = 0.0 ! ! A14 A(7,6,13) 93.3871 -DE/DX = 0.0 ! ! A15 A(8,6,13) 101.6534 -DE/DX = 0.0 ! ! A16 A(6,8,9) 120.0917 -DE/DX = 0.0 ! ! A17 A(6,8,10) 120.5773 -DE/DX = 0.0 ! ! A18 A(6,8,16) 101.6534 -DE/DX = 0.0 ! ! A19 A(9,8,10) 113.4602 -DE/DX = 0.0 ! ! A20 A(9,8,16) 93.3864 -DE/DX = 0.0 ! ! A21 A(10,8,16) 98.9409 -DE/DX = 0.0 ! ! A22 A(1,10,8) 117.2211 -DE/DX = 0.0 ! ! A23 A(1,10,12) 120.1903 -DE/DX = 0.0 ! ! A24 A(8,10,12) 122.5813 -DE/DX = 0.0 ! ! A25 A(6,13,14) 97.8838 -DE/DX = 0.0 ! ! A26 A(6,13,17) 102.4745 -DE/DX = 0.0 ! ! A27 A(6,13,21) 91.453 -DE/DX = 0.0 ! ! A28 A(14,13,17) 124.6288 -DE/DX = 0.0 ! ! A29 A(14,13,21) 106.4321 -DE/DX = 0.0 ! ! A30 A(17,13,21) 123.6749 -DE/DX = 0.0 ! ! A31 A(13,14,15) 108.9121 -DE/DX = 0.0 ! ! A32 A(13,14,18) 125.1607 -DE/DX = 0.0 ! ! A33 A(15,14,18) 125.4473 -DE/DX = 0.0 ! ! A34 A(14,15,16) 108.9121 -DE/DX = 0.0 ! ! A35 A(14,15,19) 125.4473 -DE/DX = 0.0 ! ! A36 A(16,15,19) 125.1607 -DE/DX = 0.0 ! ! A37 A(8,16,15) 97.8835 -DE/DX = 0.0 ! ! A38 A(8,16,20) 102.4735 -DE/DX = 0.0 ! ! A39 A(8,16,21) 91.4533 -DE/DX = 0.0 ! ! A40 A(15,16,20) 124.6291 -DE/DX = 0.0 ! ! A41 A(15,16,21) 106.4323 -DE/DX = 0.0 ! ! A42 A(20,16,21) 123.6749 -DE/DX = 0.0 ! ! A43 A(13,21,16) 99.9269 -DE/DX = 0.0 ! ! A44 A(13,21,22) 116.3848 -DE/DX = 0.0 ! ! A45 A(13,21,23) 108.0315 -DE/DX = 0.0 ! ! A46 A(16,21,22) 116.3848 -DE/DX = 0.0 ! ! A47 A(16,21,23) 108.0316 -DE/DX = 0.0 ! ! A48 A(22,21,23) 107.5403 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) 0.0 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) 178.0719 -DE/DX = 0.0 ! ! D3 D(10,1,3,4) -178.0717 -DE/DX = 0.0 ! ! D4 D(10,1,3,5) 0.0002 -DE/DX = 0.0 ! ! D5 D(2,1,10,8) 175.4992 -DE/DX = 0.0 ! ! D6 D(2,1,10,12) -5.454 -DE/DX = 0.0 ! ! D7 D(3,1,10,8) -6.3038 -DE/DX = 0.0 ! ! D8 D(3,1,10,12) 172.743 -DE/DX = 0.0 ! ! D9 D(1,3,5,6) 6.3039 -DE/DX = 0.0 ! ! D10 D(1,3,5,11) -172.7431 -DE/DX = 0.0 ! ! D11 D(4,3,5,6) -175.4989 -DE/DX = 0.0 ! ! D12 D(4,3,5,11) 5.4541 -DE/DX = 0.0 ! ! D13 D(3,5,6,7) -159.2483 -DE/DX = 0.0 ! ! D14 D(3,5,6,8) -6.2165 -DE/DX = 0.0 ! ! D15 D(3,5,6,13) 103.0807 -DE/DX = 0.0 ! ! D16 D(11,5,6,7) 19.7741 -DE/DX = 0.0 ! ! D17 D(11,5,6,8) 172.8059 -DE/DX = 0.0 ! ! D18 D(11,5,6,13) -77.8969 -DE/DX = 0.0 ! ! D19 D(5,6,8,9) -151.2629 -DE/DX = 0.0 ! ! D20 D(5,6,8,10) 0.0007 -DE/DX = 0.0 ! ! D21 D(5,6,8,16) 107.8298 -DE/DX = 0.0 ! ! D22 D(7,6,8,9) -0.0013 -DE/DX = 0.0 ! ! D23 D(7,6,8,10) 151.2624 -DE/DX = 0.0 ! ! D24 D(7,6,8,16) -100.9086 -DE/DX = 0.0 ! ! D25 D(13,6,8,9) 100.9069 -DE/DX = 0.0 ! ! D26 D(13,6,8,10) -107.8294 -DE/DX = 0.0 ! ! D27 D(13,6,8,16) -0.0004 -DE/DX = 0.0 ! ! D28 D(5,6,13,14) 167.3296 -DE/DX = 0.0 ! ! D29 D(5,6,13,17) 39.146 -DE/DX = 0.0 ! ! D30 D(5,6,13,21) -85.8614 -DE/DX = 0.0 ! ! D31 D(7,6,13,14) 52.9346 -DE/DX = 0.0 ! ! D32 D(7,6,13,17) -75.249 -DE/DX = 0.0 ! ! D33 D(7,6,13,21) 159.7437 -DE/DX = 0.0 ! ! D34 D(8,6,13,14) -68.7362 -DE/DX = 0.0 ! ! D35 D(8,6,13,17) 163.0801 -DE/DX = 0.0 ! ! D36 D(8,6,13,21) 38.0728 -DE/DX = 0.0 ! ! D37 D(6,8,10,1) 6.2155 -DE/DX = 0.0 ! ! D38 D(6,8,10,12) -172.8067 -DE/DX = 0.0 ! ! D39 D(9,8,10,1) 159.2491 -DE/DX = 0.0 ! ! D40 D(9,8,10,12) -19.7731 -DE/DX = 0.0 ! ! D41 D(16,8,10,1) -103.0812 -DE/DX = 0.0 ! ! D42 D(16,8,10,12) 77.8966 -DE/DX = 0.0 ! ! D43 D(6,8,16,15) 68.7372 -DE/DX = 0.0 ! ! D44 D(6,8,16,20) -163.0793 -DE/DX = 0.0 ! ! D45 D(6,8,16,21) -38.0721 -DE/DX = 0.0 ! ! D46 D(9,8,16,15) -52.9336 -DE/DX = 0.0 ! ! D47 D(9,8,16,20) 75.25 -DE/DX = 0.0 ! ! D48 D(9,8,16,21) -159.7428 -DE/DX = 0.0 ! ! D49 D(10,8,16,15) -167.3285 -DE/DX = 0.0 ! ! D50 D(10,8,16,20) -39.145 -DE/DX = 0.0 ! ! D51 D(10,8,16,21) 85.8622 -DE/DX = 0.0 ! ! D52 D(6,13,14,15) 74.7518 -DE/DX = 0.0 ! ! D53 D(6,13,14,18) -97.6431 -DE/DX = 0.0 ! ! D54 D(17,13,14,15) -174.1085 -DE/DX = 0.0 ! ! D55 D(17,13,14,18) 13.4965 -DE/DX = 0.0 ! ! D56 D(21,13,14,15) -19.1202 -DE/DX = 0.0 ! ! D57 D(21,13,14,18) 168.4848 -DE/DX = 0.0 ! ! D58 D(6,13,21,16) -69.8612 -DE/DX = 0.0 ! ! D59 D(6,13,21,22) 56.3266 -DE/DX = 0.0 ! ! D60 D(6,13,21,23) 177.343 -DE/DX = 0.0 ! ! D61 D(14,13,21,16) 28.7966 -DE/DX = 0.0 ! ! D62 D(14,13,21,22) 154.9843 -DE/DX = 0.0 ! ! D63 D(14,13,21,23) -83.9992 -DE/DX = 0.0 ! ! D64 D(17,13,21,16) -175.9153 -DE/DX = 0.0 ! ! D65 D(17,13,21,22) -49.7275 -DE/DX = 0.0 ! ! D66 D(17,13,21,23) 71.2889 -DE/DX = 0.0 ! ! D67 D(13,14,15,16) 0.0003 -DE/DX = 0.0 ! ! D68 D(13,14,15,19) -172.3678 -DE/DX = 0.0 ! ! D69 D(18,14,15,16) 172.3681 -DE/DX = 0.0 ! ! D70 D(18,14,15,19) 0.0 -DE/DX = 0.0 ! ! D71 D(14,15,16,8) -74.7524 -DE/DX = 0.0 ! ! D72 D(14,15,16,20) 174.1094 -DE/DX = 0.0 ! ! D73 D(14,15,16,21) 19.1198 -DE/DX = 0.0 ! ! D74 D(19,15,16,8) 97.6428 -DE/DX = 0.0 ! ! D75 D(19,15,16,20) -13.4954 -DE/DX = 0.0 ! ! D76 D(19,15,16,21) -168.4849 -DE/DX = 0.0 ! ! D77 D(8,16,21,13) 69.8611 -DE/DX = 0.0 ! ! D78 D(8,16,21,22) -56.3266 -DE/DX = 0.0 ! ! D79 D(8,16,21,23) -177.3431 -DE/DX = 0.0 ! ! D80 D(15,16,21,13) -28.7965 -DE/DX = 0.0 ! ! D81 D(15,16,21,22) -154.9842 -DE/DX = 0.0 ! ! D82 D(15,16,21,23) 83.9993 -DE/DX = 0.0 ! ! D83 D(20,16,21,13) 175.9141 -DE/DX = 0.0 ! ! D84 D(20,16,21,22) 49.7263 -DE/DX = 0.0 ! ! D85 D(20,16,21,23) -71.2901 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-280|Freq|RB3LYP|6-31G(d)|C11H10O2|MDF14|10- Nov-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,2.191352,-0.671964,0.533224|H,2 .93072,-1.256098,1.075535|C,2.19137,0.671921,0.533223|H,2.930753,1.256 037,1.075533|C,1.196494,1.459728,-0.249313|C,0.110358,0.705672,-0.9194 65|H,-0.352657,1.249104,-1.734961|C,0.110348,-0.705659,-0.91947|H,-0.3 52692,-1.24908,-1.734958|C,1.196457,-1.459745,-0.249314|O,1.304616,2.6 79839,-0.33485|O,1.304547,-2.679859,-0.334851|C,-1.547635,1.155336,0.4 9635|C,-2.611657,0.699641,-0.301725|C,-2.611657,-0.699613,-0.301727|C, -1.54764,-1.155309,0.496351|H,-1.366352,2.194903,0.746832|H,-3.242007, 1.328848,-0.921256|H,-3.242007,-1.328819,-0.921259|H,-1.366345,-2.1948 76,0.746824|C,-1.154478,0.000012,1.383852|H,-0.129301,0.00001,1.753002 |H,-1.823286,0.000014,2.260409||Version=EM64W-G09RevD.01|State=1-A|HF= -575.5265349|RMSD=3.283e-009|RMSF=3.676e-006|ZeroPoint=0.1811966|Therm al=0.1914282|Dipole=-0.9878005,0.0000069,0.4582993|DipoleDeriv=-0.1204 813,-0.24293,0.0013184,-0.2591427,-0.0534823,-0.1146222,-0.0309386,-0. 1341566,-0.0826467,0.0021498,0.0382027,-0.0633555,0.055794,0.0261401,0 .0346787,-0.079828,0.0170405,0.060465,-0.1204703,0.2429306,0.0013205,0 .2591419,-0.053495,0.1146218,-0.0309355,0.1341564,-0.082647,0.0021477, -0.0382023,-0.0633563,-0.0557937,0.0261425,-0.0346769,-0.0798286,-0.01 70386,0.0604652,1.0735548,0.0981279,0.0979803,0.4706455,1.1801473,-0.1 634691,0.5437464,-0.0122012,0.2849711,-0.4594863,-0.3992022,0.0040611, -0.4035771,-0.0685972,-0.0290387,-0.2137248,-0.1290533,-0.0282851,0.01 01023,0.0404874,-0.0310446,-0.0207386,0.0030593,0.0438594,-0.0500817,0 .0046894,-0.0000469,-0.4594896,0.3992134,0.0040739,0.4035882,-0.068616 ,0.0290386,-0.2137192,0.1290559,-0.0282914,0.0101051,-0.0404908,-0.031 0501,0.020738,0.0030591,-0.0438589,-0.0500837,-0.0046844,-0.0000441,1. 0735515,-0.0981245,0.0979807,-0.4706483,1.1801603,0.1634689,0.5437519, 0.0121917,0.2849706,-0.5802027,-0.0559029,-0.0268912,-0.4338985,-1.135 0187,0.1320758,-0.1137881,0.0684344,-0.3667992,-0.5801916,0.0558868,-0 .0268943,0.4338892,-1.1350311,-0.1320765,-0.1137899,-0.0684329,-0.3667 991,-0.0614336,0.1086769,0.0189118,0.053665,0.0608084,-0.0211117,-0.16 98642,0.0503177,0.2119844,-0.0300345,0.0012662,0.0768905,0.1003593,-0. 0242274,-0.1468144,0.2634875,-0.2594193,-0.1359037,-0.0300314,-0.00126 85,0.0768891,-0.1003592,-0.024221,0.146814,0.2634871,0.2594144,-0.1359 034,-0.0614396,-0.1086754,0.0189156,-0.0536657,0.0608038,0.0211143,-0. 1698633,-0.05031,0.211984,0.0615587,-0.0131467,-0.0066315,-0.0098404,- 0.0228545,-0.0149912,0.0118417,-0.029302,0.0394924,0.0651575,0.0299741 ,-0.063543,0.0557513,0.0356533,0.0440617,-0.1257737,0.0686378,0.053810 8,0.0651579,-0.0299743,-0.0635426,-0.0557509,0.0356537,-0.044062,-0.12 57726,-0.0686363,0.053811,0.0615619,0.0131519,-0.0066339,0.0098411,-0. 0228519,0.0149902,0.0118387,0.0292973,0.0394941,0.0997253,0.,0.0138941 ,0.0000021,-0.1239964,-0.0000021,-0.1243642,-0.0000013,-0.097908,-0.00 70036,-0.0000005,-0.0992782,-0.0000005,0.0299466,0.0000005,-0.0280553, 0.0000006,0.0692172,-0.0145079,0.0000003,0.0699853,0.0000001,0.0908172 ,0.,0.082258,-0.0000003,-0.0453914|Polar=142.215624,0.0000614,138.8326 377,6.8364456,-0.0000422,82.1099546|PG=C01 [X(C11H10O2)]|NImag=1||0.43 038395,-0.06936422,0.83092030,0.23164706,-0.04068375,0.28996335,-0.184 33583,0.10331678,-0.10685561,0.18656734,0.10374166,-0.13614072,0.07572 440,-0.11148873,0.14187354,-0.10577184,0.07448441,-0.11831021,0.118335 35,-0.08171285,0.11262162,-0.09793297,-0.00697226,-0.03827067,0.006669 38,0.02370001,-0.00043672,0.43038767,0.00696098,-0.51894034,0.00408200 ,-0.00255934,-0.01261550,-0.00093130,0.06937513,0.83091705,-0.03827074 ,-0.00408032,-0.07463872,-0.00128044,0.01744870,0.00819129,0.23164767, 0.04067703,0.28996257,0.00666882,0.00255883,-0.00128089,-0.00175900,-0 .00033412,0.00382078,-0.18434107,-0.10331571,-0.10685734,0.18657310,-0 .02370047,-0.01261494,-0.01744863,0.00033419,0.00096969,0.00011451,-0. 10374062,-0.13613561,-0.07572162,0.11148773,0.14186802,-0.00043664,0.0 0093135,0.00819132,0.00382078,-0.00011462,-0.00423181,-0.10577360,-0.0 7448162,-0.11830994,0.11833725,0.08170974,0.11262130,0.00685366,0.0075 5823,0.00347362,0.00534367,-0.00393652,-0.00751096,-0.15860817,0.01603 631,-0.05841041,-0.01211963,0.01265814,-0.01190983,0.41005713,0.018788 46,-0.02940180,0.01559749,-0.00157877,-0.00209374,-0.00081480,0.019133 81,-0.08836487,0.01606635,-0.01495316,0.01022055,-0.01222627,0.0589911 2,0.89413467,0.00377911,0.00682380,0.00346550,-0.00591265,-0.00355229, 0.00835859,-0.06006049,0.01267315,-0.12056342,-0.01067425,0.00912495,- 0.00395641,0.14755617,-0.04815867,0.31330353,-0.00175189,-0.00129355,- 0.00090386,0.00043216,0.00038561,0.00093963,-0.01381001,-0.00411208,-0 .01803282,-0.00099956,0.00179331,-0.00193475,-0.14563152,-0.02048966,- 0.06236433,0.32011381,-0.00137843,-0.00155065,-0.00303304,-0.00046485, -0.00018917,-0.00013491,0.01025745,0.01523353,0.00328010,0.00342026,-0 .00221336,0.00261941,-0.03848166,-0.09938622,-0.00688747,0.03687672,0. 64079864,-0.00016720,-0.00143767,-0.00000912,0.00125313,0.00026939,-0. 00088975,-0.02148588,-0.00698584,-0.00089799,-0.00260358,0.00178176,-0 .00066342,-0.07592656,-0.01864927,-0.11173280,0.24912226,-0.12096289,0 .40152032,0.00035746,-0.00056304,0.00069520,0.00000071,0.00013334,0.00 008380,-0.00260036,-0.00398595,-0.00228595,-0.00089209,0.00068193,-0.0 0079453,-0.01139172,0.01273859,-0.02002911,-0.08821225,0.05425612,-0.1 0900278,0.10409989,0.00021172,-0.00001184,-0.00022866,0.00018662,0.000 09447,0.00000320,-0.00241861,-0.00147669,-0.00056875,-0.00066049,0.000 59363,-0.00025559,-0.00601669,0.00948327,-0.01317724,0.05931378,-0.125 24756,0.11133638,-0.06499474,0.13090672,0.00051525,0.00029729,-0.00031 264,0.00014944,0.00012750,-0.00020666,-0.00187224,-0.00198158,0.000438 13,-0.00068174,0.00044770,0.00000896,-0.00396888,0.01231258,-0.0088791 5,-0.11449923,0.11587058,-0.21144868,0.11315978,-0.11782908,0.21838653 ,-0.01381037,0.00411277,-0.01803312,-0.00099971,-0.00179335,-0.0019348 5,-0.00175189,0.00129357,-0.00090383,0.00043218,-0.00038562,0.00093960 ,-0.00146416,-0.02332117,-0.00389638,-0.07979586,0.02297192,-0.0238261 6,0.00348441,0.01598124,0.00111002,0.32011821,-0.01025676,0.01523381,- 0.00327974,-0.00342029,-0.00221324,-0.00261939,0.00137841,-0.00155067, 0.00303307,0.00046484,-0.00018917,0.00013489,-0.00369326,-0.02380523,- 0.01316914,-0.02297608,-0.31879052,0.02759576,0.00318528,-0.01240742,- 0.00573059,-0.03687016,0.64080198,-0.02148582,0.00698653,-0.00089824,- 0.00260363,-0.00178171,-0.00066345,-0.00016720,0.00143766,-0.00000907, 0.00125312,-0.00026943,-0.00088973,0.00787923,-0.01368684,0.00264257,- 0.02382647,-0.02759691,-0.09627412,-0.00123244,0.02333479,0.00790879,0 .24912872,0.12095729,0.40151923,-0.00260015,0.00398598,-0.00228600,-0. 00089209,-0.00068189,-0.00079452,0.00035746,0.00056303,0.00069519,0.00 000070,-0.00013333,0.00008380,0.00333718,-0.00016366,-0.00165668,0.003 48408,-0.00318529,-0.00123260,-0.00120373,0.00039541,0.00196275,-0.088 21824,-0.05425929,-0.10900822,0.10410628,0.00241865,-0.00147689,0.0005 6883,0.00066053,0.00059364,0.00025562,-0.00021174,-0.00001184,0.000228 64,-0.00018662,0.00009448,-0.00000320,0.00589560,-0.00296275,0.0006727 4,-0.01598189,-0.01240685,-0.02333457,-0.00039533,0.00130382,0.0006429 9,-0.05931662,-0.12524557,-0.11133380,0.06499745,0.13090416,-0.0018722 1,0.00198167,0.00043814,-0.00068176,-0.00044769,0.00000896,0.00051526, -0.00029732,-0.00031263,0.00014943,-0.00012751,-0.00020666,-0.00396716 ,0.00199220,0.00230759,0.00110997,0.00573034,0.00790864,0.00196283,-0. 00064307,-0.00071707,-0.11450394,-0.11586736,-0.21144635,0.11316468,0. 11782610,0.21838449,-0.15860879,-0.01603437,-0.05841079,-0.01211947,-0 .01265755,-0.01190949,0.00685289,-0.00755922,0.00347318,0.00534382,0.0 0393631,-0.00751097,0.01495305,0.00344648,0.01862403,-0.00146369,0.003 69287,0.00787934,0.00333712,-0.00589570,-0.00396715,-0.14563092,0.0384 8433,-0.07592774,-0.01139194,0.00601732,-0.00396928,0.41005493,-0.0191 3200,-0.08836413,-0.01606458,0.01495379,0.01022053,0.01222656,-0.01878 942,-0.02940109,-0.01559762,0.00157859,-0.00209389,0.00081497,-0.00344 682,0.00074595,0.00008176,0.02332042,-0.02380573,0.01368649,0.00016357 ,-0.00296259,-0.00199213,0.02049258,-0.09938894,0.01865216,-0.01273822 ,0.00948344,-0.01231247,-0.05897954,0.89413798,-0.06006106,-0.01267172 ,-0.12056369,-0.01067444,-0.00912467,-0.00395643,0.00377897,-0.0068238 8,0.00346554,-0.00591254,0.00355249,0.00835854,0.01862393,-0.00008217, 0.00268048,-0.00389584,0.01316912,0.00264291,-0.00165674,-0.00067274,0 .00230753,-0.06236628,0.00689007,-0.11173371,-0.02002859,0.01317776,-0 .00887903,0.14755893,0.04815368,0.31330500,-0.00198861,0.00351795,-0.0 0300606,-0.00099944,0.00141925,0.00200710,0.01812430,0.03125750,-0.006 79349,0.00227858,-0.00139785,0.00308966,-0.09231484,-0.05025417,-0.014 18134,0.00388369,-0.04235545,0.00059720,0.00164025,0.00091843,0.002249 89,-0.00150496,-0.00125046,-0.00559250,-0.00054719,-0.00249364,0.00125 735,-0.00690047,0.00050433,-0.00579673,0.07610849,0.00747800,0.0074755 9,0.00506870,0.00061497,-0.00238409,-0.00055406,0.01610782,-0.06563226 ,0.02069564,0.00066698,0.00172463,0.00053733,-0.05066301,-0.66985614,0 .04704646,-0.03487572,-0.05514228,-0.00609146,0.00162615,0.00075263,-0 .00227639,-0.00285646,0.00675126,-0.00629984,-0.00029394,-0.00198920,0 .00035206,-0.00155583,-0.00023270,0.00015583,0.06361488,0.78148807,-0. 00390942,0.00160329,-0.00121878,0.00131117,0.00148242,-0.00140316,-0.0 0401517,0.03251616,0.01434841,0.00314176,-0.00162796,0.00043905,-0.015 69356,0.04520291,-0.08078139,-0.00294962,-0.02105067,0.01493003,0.0035 4437,0.00113160,0.00174057,-0.00156101,0.00033804,0.00115082,0.0002407 3,-0.00043155,-0.00039323,-0.00454430,-0.00020509,-0.00221593,0.025398 51,-0.05762740,0.05061210,0.01812306,-0.03125963,-0.00679404,0.0022786 0,0.00139785,0.00308964,-0.00198886,-0.00351768,-0.00300618,-0.0009995 0,-0.00141928,0.00200712,-0.00690042,-0.00050415,-0.00579672,-0.001504 70,0.00125060,-0.00559230,-0.00054715,0.00249358,0.00125733,0.00388556 ,0.04235376,0.00059746,0.00164021,-0.00091846,0.00224996,-0.09231185,0 .05023879,-0.01418267,0.00272408,0.00012150,0.00157012,0.07610504,-0.0 1610990,-0.06563086,-0.02069560,-0.00066703,0.00172461,-0.00053740,-0. 00747773,0.00747586,-0.00506860,-0.00061502,-0.00238403,0.00055402,0.0 0155603,-0.00023270,-0.00015564,0.00285650,0.00675126,0.00630001,0.000 29395,-0.00198926,-0.00035212,0.03487435,-0.05514459,0.00609162,-0.001 62616,0.00075273,0.00227632,0.05064744,-0.66985793,-0.04704599,-0.0001 2157,0.00044318,0.00008727,-0.06359625,0.78149068,-0.00401597,-0.03251 609,0.01434840,0.00314180,0.00162789,0.00043905,-0.00390948,-0.0016031 9,-0.00121880,0.00131113,-0.00148247,-0.00140315,-0.00454428,0.0002051 9,-0.00221593,-0.00156106,-0.00033800,0.00115077,0.00024075,0.00043155 ,-0.00039321,-0.00294904,0.02105106,0.01493000,0.00354438,-0.00113167, 0.00174051,-0.01569482,-0.04520245,-0.08078160,0.00157013,-0.00008730, 0.00094142,0.02540001,0.05762653,0.05061235,0.00152112,0.00030241,-0.0 0014280,-0.00043352,-0.00010963,0.00019080,0.00205145,-0.00249458,-0.0 0038004,0.00011767,-0.00029541,0.00031889,-0.02140385,-0.01261482,0.00 302370,0.05296301,-0.04479830,-0.04145678,-0.00747473,0.00069004,0.005 75634,0.00965145,0.05250628,-0.02012643,-0.00269800,-0.00073680,0.0025 1579,0.00462928,-0.00319859,0.00920443,0.00086077,0.00618617,-0.000419 34,-0.00171843,0.00413341,-0.00183847,0.29833001,-0.00031082,-0.000670 31,0.00031946,0.00007221,-0.00002894,-0.00007079,-0.00064138,0.0005189 6,0.00019812,0.00006053,0.00001792,-0.00001506,-0.00105139,0.00038489, 0.00052377,-0.00576663,-0.01051902,0.00666606,-0.00239520,0.00101691,0 .00136819,0.00205855,-0.00588687,-0.00318641,0.00099334,-0.00068360,-0 .00003488,-0.00030391,-0.00188911,-0.00069533,-0.00119744,-0.00161483, -0.00021920,0.00039173,0.00023867,0.00044216,0.10474166,0.71771555,0.0 0012179,0.00047084,-0.00082189,-0.00005600,0.00010247,-0.00001253,-0.0 0004380,0.00056209,-0.00065331,-0.00020070,0.00005796,-0.00016903,0.00 961841,0.00761075,0.00417147,-0.02816389,0.01304726,0.00361987,0.00944 902,-0.00191542,-0.00705721,-0.00262329,-0.01688938,-0.00043367,0.0019 7482,0.00032876,-0.00094206,-0.00087797,-0.00021368,-0.00134252,-0.002 11105,-0.00639188,0.00000287,0.00019793,0.00009052,0.00021438,0.228734 51,0.06110633,0.35510820,-0.00166097,-0.00119658,-0.00051912,0.0001998 3,-0.00010593,-0.00032978,-0.00092132,0.00154588,-0.00002009,0.0001839 7,-0.00003160,-0.00006114,0.00019130,0.00112356,-0.00200875,-0.0294471 9,0.02312904,0.01683307,0.00090662,-0.00074438,-0.00220581,-0.01541902 ,-0.01570590,0.00732077,0.00144749,0.00006220,-0.00171078,0.00131945,- 0.00147104,0.00062663,0.00039902,0.00004929,0.00085871,-0.00020456,-0. 00074161,0.00016483,-0.19215244,-0.05982586,-0.14399984,0.47402686,-0. 00187317,-0.00131839,0.00020285,0.00023624,-0.00000767,-0.00007817,-0. 00176596,0.00198490,-0.00052086,0.00024017,0.00013223,-0.00032240,0.00 287796,0.00219640,-0.00003316,-0.02925242,0.02510870,0.01804298,0.0022 7029,0.00020412,-0.00328337,-0.01492680,-0.02952937,0.01823835,0.00148 105,0.00007226,-0.00237025,-0.00044439,0.00000730,-0.00512241,-0.00025 089,0.00036489,0.00073297,0.00094732,-0.00180107,0.00125413,-0.0142300 8,-0.12419672,-0.04568411,-0.07689225,0.66323119,-0.00073393,-0.000610 74,0.00062340,0.00023551,0.00001150,0.00001640,-0.00077801,0.00058838, 0.00033724,0.00003284,0.00011769,-0.00000312,0.00023265,0.00135412,-0. 00152112,-0.00568422,0.01207558,0.00631995,0.00435021,-0.00041211,-0.0 0075043,-0.00099057,-0.01451706,0.00813467,0.00013970,0.00005890,-0.00 028622,-0.00204336,0.00248860,-0.00402320,0.00116333,0.00094361,0.0001 1374,0.00081901,-0.00245285,0.00092320,-0.11383557,-0.04334921,-0.1613 8835,0.28635561,-0.08876685,0.39624851,-0.00092134,-0.00154584,-0.0000 2005,0.00018396,0.00003160,-0.00006112,-0.00166094,0.00119661,-0.00051 914,0.00019984,0.00010592,-0.00032979,0.00131954,0.00147110,0.00062678 ,-0.01541894,0.01570591,0.00732064,0.00144758,-0.00006224,-0.00171073, -0.02944724,-0.02312871,0.01683330,0.00090631,0.00074431,-0.00220571,0 .00019118,-0.00112343,-0.00200894,-0.00020456,0.00074157,0.00016480,0. 00039905,-0.00004936,0.00085874,0.02241047,-0.02374276,-0.00594592,-0. 09393756,-0.01999748,-0.03550842,0.47402829,0.00176602,0.00198485,0.00 052082,-0.00024016,0.00013223,0.00032238,0.00187316,-0.00131848,-0.000 20281,-0.00023625,-0.00000767,0.00007819,0.00044428,0.00000711,0.00512 222,0.01492686,-0.02952954,-0.01823829,-0.00148124,0.00007234,0.002370 30,0.02925253,0.02510849,-0.01804324,-0.00227006,0.00020426,0.00328340 ,-0.00287777,0.00219633,0.00003337,-0.00094732,-0.00180094,-0.00125412 ,0.00025086,0.00036502,-0.00073303,-0.07316766,-0.03534506,-0.02165668 ,0.01999738,-0.33319818,0.02032283,0.07689090,0.66323080,-0.00077801,- 0.00058831,0.00033724,0.00003282,-0.00011770,-0.00000312,-0.00073390,0 .00061075,0.00062339,0.00023551,-0.00001151,0.00001639,-0.00204345,-0. 00248845,-0.00402310,-0.00099054,0.01451701,0.00813467,0.00013980,-0.0 0005892,-0.00028631,-0.00568424,-0.01207541,0.00631981,0.00435039,0.00 041205,-0.00075051,0.00023249,-0.00135420,-0.00152110,0.00081908,0.002 45278,0.00092318,0.00116338,-0.00094370,0.00011372,0.01290123,-0.01866 245,0.00253069,-0.03550847,-0.02032344,-0.09002697,0.28635751,0.088766 64,0.39625080,0.00205156,0.00249448,-0.00038011,0.00011769,0.00029541, 0.00031886,0.00152117,-0.00030249,-0.00014278,-0.00043354,0.00010964,0 .00019083,0.00462927,0.00319819,0.00920424,0.00965119,-0.05250633,-0.0 2012647,-0.00269827,0.00073691,0.00251590,0.05296310,0.04479727,-0.041 45679,-0.00747464,-0.00068984,0.00575650,-0.02140374,0.01261559,0.0030 2409,-0.00171853,-0.00413326,-0.00183847,0.00086038,-0.00618618,-0.000 41930,-0.04839034,-0.00092527,0.00623690,0.02241037,0.07316778,0.01290 115,-0.19215369,0.01423117,-0.11383768,0.29833392,0.00064139,0.0005189 3,-0.00019812,-0.00006053,0.00001792,0.00001505,0.00031078,-0.00067032 ,-0.00031946,-0.00007221,-0.00002893,0.00007079,0.00030382,-0.00188908 ,0.00069523,-0.00205859,-0.00588655,0.00318662,-0.00099335,-0.00068361 ,0.00003482,0.00576612,-0.01051908,-0.00666581,0.00239522,0.00101686,- 0.00136824,0.00105144,0.00038489,-0.00052369,-0.00039170,0.00023870,-0 .00044214,0.00119751,-0.00161503,0.00021918,0.00092517,-0.06314797,-0. 00467429,0.02374274,-0.03534541,0.01866256,0.05982677,-0.12419710,0.04 335003,-0.10474508,0.71771748,-0.00004387,-0.00056215,-0.00065326,-0.0 0020070,-0.00005796,-0.00016902,0.00012174,-0.00047082,-0.00082191,-0. 00005600,-0.00010246,-0.00001254,-0.00087791,0.00021376,-0.00134245,-0 .00262330,0.01688957,-0.00043356,0.00197491,-0.00032881,-0.00094206,-0 .02816394,-0.01304704,0.00362009,0.00944923,0.00191525,-0.00705750,0.0 0961864,-0.00761112,0.00417120,0.00019793,-0.00009054,0.00021437,-0.00 211087,0.00639211,0.00000294,0.00623695,0.00467427,0.00039748,-0.00594 580,0.02165663,0.00253084,-0.14400185,0.04568501,-0.16139018,0.2287372 1,-0.06110405,0.35510951,0.00001609,0.00010348,0.00002297,-0.00000305, -0.00001830,-0.00000179,-0.00000200,-0.00007960,-0.00000263,-0.0000818 6,0.00001044,-0.00000297,0.00037078,0.00484267,0.00167998,-0.00319680, 0.00466892,0.00172333,0.00065469,-0.00014253,-0.00025715,-0.00053840,- 0.00075273,0.00077401,-0.00012362,0.00016058,0.00004386,0.00027807,0.0 0025069,-0.00008373,0.00111366,-0.00236660,-0.00099400,-0.00009999,0.0 0011073,-0.00008446,-0.04667464,-0.04421059,-0.02395462,0.00114532,-0. 02544916,-0.00342455,-0.00270011,0.00045532,-0.00620734,-0.00029263,0. 00422761,-0.00012770,0.04838523,-0.00000666,0.00007434,-0.00001470,-0. 00000096,0.00001324,0.00000875,0.00007935,-0.00005517,0.00001548,0.000 01175,0.00001130,-0.00001166,0.00013923,-0.00069680,0.00000260,0.00015 627,-0.00016758,0.00017926,0.00005267,0.00008196,-0.00019799,-0.000284 68,-0.00039996,0.00018034,0.00005643,0.00002756,-0.00003716,-0.0002483 7,-0.00003733,-0.00008348,-0.00030717,0.00066719,0.00014278,0.00007811 ,0.00005721,0.00001094,-0.05134928,-0.32859746,-0.06274331,0.00215876, -0.00097383,0.00103521,-0.00034176,-0.00000215,-0.00100229,0.00103820, -0.00253973,0.00223526,0.05317101,0.34158367,0.00006516,0.00001474,0.0 0004059,0.00000087,0.00001740,0.00002374,0.00016613,-0.00005582,0.0000 1636,0.00001344,-0.00000158,0.00002260,-0.00088925,-0.00313203,-0.0006 3560,0.00310030,-0.00464131,-0.00195475,-0.00054338,-0.00002746,0.0000 3698,0.00109385,0.00139385,-0.00092843,-0.00004107,-0.00015322,0.00009 555,-0.00025024,0.00012761,-0.00014481,-0.00107867,0.00168311,0.000232 04,0.00006121,-0.00026052,0.00009645,-0.02903361,-0.06557701,-0.063367 03,0.00315204,-0.01318650,0.00119770,-0.00375138,-0.00323713,0.0018097 8,-0.00292485,0.00138613,-0.00508982,0.02395357,0.06900140,0.05746845, 0.00007184,0.00007891,0.00003671,0.00001611,0.00000225,0.00001382,0.00 004031,0.00008401,0.00006357,0.00002241,0.00000635,-0.00000374,0.00034 312,0.00014643,0.00006186,-0.00013738,0.00020261,-0.00017169,-0.000087 75,-0.00007155,0.00030167,0.00085945,-0.00070072,0.00032619,-0.0000468 6,0.00003754,-0.00000238,-0.00048558,0.00014821,-0.00034732,0.00001007 ,-0.00012983,0.00005395,0.00024611,-0.00024817,0.00003880,-0.00520221, 0.01557416,-0.01086713,-0.14764030,0.09407311,-0.10452790,0.00445526,- 0.00188116,0.00211983,0.00323954,-0.00120010,-0.00318224,-0.00095294,- 0.00041496,0.00169822,0.14700273,-0.00001721,-0.00003006,0.00000948,0. 00000540,-0.00000560,-0.00000769,-0.00002997,-0.00001296,0.00005139,0. 00000340,0.00000520,0.00000128,-0.00004672,-0.00000455,-0.00026869,0.0 0004993,0.00036621,0.00036799,0.00008271,0.00010699,-0.00003125,-0.000 51601,-0.00026306,0.00016062,0.00008984,-0.00003333,-0.00001157,-0.000 06797,-0.00015296,-0.00000351,0.00008187,0.00003919,0.00003060,0.00008 357,0.00006437,-0.00003234,-0.00632505,0.01139636,-0.00835119,0.094568 01,-0.15716863,0.09674155,0.01859972,-0.00676635,0.01728941,-0.0002519 6,-0.00624267,0.00036759,0.00082164,0.00019609,0.00042259,-0.10511588, 0.15792180,-0.00005697,-0.00016796,0.00005231,-0.00000588,0.00000031,- 0.00000720,0.00001769,0.00001191,0.00002605,0.00000014,-0.00001206,0.0 0000081,0.00001485,0.00013390,-0.00002204,-0.00000690,-0.00027466,-0.0 0002988,-0.00022633,0.00010846,0.00000260,-0.00066246,0.00054855,-0.00 006048,0.00000135,-0.00002209,0.00002666,0.00049750,-0.00019717,0.0001 4268,-0.00001298,-0.00022647,0.00000916,-0.00024172,0.00029171,0.00002 360,-0.00571120,0.01100965,-0.00524657,-0.10825460,0.09852021,-0.13967 637,0.00235960,-0.00370163,0.00405024,-0.00336639,-0.00122340,0.002515 33,0.00203451,-0.00025756,-0.00109622,0.11771091,-0.10524397,0.1382439 9,0.00004030,-0.00008402,0.00006357,0.00002241,-0.00000635,-0.00000374 ,0.00007183,-0.00007890,0.00003671,0.00001612,-0.00000225,0.00001382,- 0.00048558,-0.00014820,-0.00034733,0.00085943,0.00070075,0.00032622,-0 .00004686,-0.00003753,-0.00000239,-0.00013742,-0.00020265,-0.00017168, -0.00008774,0.00007155,0.00030168,0.00034313,-0.00014645,0.00006185,0. 00024611,0.00024816,0.00003881,0.00001008,0.00012984,0.00005396,0.0032 3962,0.00120010,-0.00318224,0.00445524,0.00188109,0.00211981,-0.147640 40,-0.09407286,-0.10452816,-0.00520212,-0.01557411,-0.01086707,0.00012 616,-0.00007757,-0.00003986,-0.00125122,-0.00039466,0.00146986,0.14700 269,0.00002997,-0.00001296,-0.00005139,-0.00000340,0.00000520,-0.00000 128,0.00001721,-0.00003006,-0.00000948,-0.00000540,-0.00000560,0.00000 769,0.00006797,-0.00015295,0.00000351,0.00051600,-0.00026307,-0.000160 61,-0.00008984,-0.00003333,0.00001157,-0.00004993,0.00036620,-0.000367 99,-0.00008271,0.00010699,0.00003125,0.00004671,-0.00000454,0.00026870 ,-0.00008356,0.00006437,0.00003233,-0.00008188,0.00003919,-0.00003060, 0.00025201,-0.00624263,-0.00036763,-0.01859974,-0.00676631,-0.01728939 ,-0.09456787,-0.15716831,-0.09674166,0.00632510,0.01139639,0.00835125, -0.00134371,-0.00000423,-0.00082209,0.00039466,0.00084370,0.00060432,0 .10511570,0.15792141,0.00001770,-0.00001191,0.00002605,0.00000014,0.00 001206,0.00000081,-0.00005696,0.00016796,0.00005231,-0.00000588,-0.000 00031,-0.00000720,0.00049749,0.00019715,0.00014269,-0.00066243,-0.0005 4858,-0.00006052,0.00000134,0.00002209,0.00002667,-0.00000688,0.000274 69,-0.00002990,-0.00022634,-0.00010846,0.00000260,0.00001486,-0.000133 90,-0.00002203,-0.00024172,-0.00029170,0.00002359,-0.00001297,0.000226 48,0.00000915,-0.00336645,0.00122340,0.00251533,0.00235958,0.00370164, 0.00405024,-0.10825455,-0.09852025,-0.13967668,-0.00571143,-0.01100971 ,-0.00524671,0.00031165,0.00020147,0.00062307,0.00146986,-0.00060431,- 0.00142883,0.11771111,0.10524398,0.13824446,-0.00000200,0.00007961,-0. 00000263,-0.00008187,-0.00001044,-0.00000297,0.00001607,-0.00010348,0. 00002298,-0.00000304,0.00001831,-0.00000179,0.00027805,-0.00025071,-0. 00008375,-0.00053839,0.00075283,0.00077405,-0.00012361,-0.00016059,0.0 0004385,-0.00319709,-0.00466894,0.00172353,0.00065472,0.00014251,-0.00 025719,0.00037041,-0.00484301,0.00168017,-0.00010000,-0.00011069,-0.00 008445,0.00111374,0.00236661,-0.00099405,-0.00029265,-0.00422761,-0.00 012775,-0.00270001,-0.00045530,-0.00620729,0.00114531,0.02544890,-0.00 342427,-0.04667588,0.04421431,-0.02395539,0.00180155,-0.00067747,-0.00 057684,0.00012617,0.00134369,0.00031164,-0.00095293,-0.00082163,0.0020 3450,0.04838681,-0.00007936,-0.00005518,-0.00001549,-0.00001175,0.0000 1130,0.00001166,0.00000666,0.00007434,0.00001470,0.00000096,0.00001324 ,-0.00000875,0.00024836,-0.00003734,0.00008347,0.00028465,-0.00039990, -0.00018031,-0.00005642,0.00002755,0.00003716,-0.00015639,-0.00016776, -0.00017911,-0.00005264,0.00008197,0.00019798,-0.00013918,-0.00069686, -0.00000264,-0.00007811,0.00005721,-0.00001094,0.00030727,0.00066721,- 0.00014279,-0.00103813,-0.00253973,-0.00223527,0.00034177,-0.00000218, 0.00100219,-0.00215875,-0.00097361,-0.00103528,0.05135224,-0.32859770, 0.06274098,0.00067747,-0.00044392,0.00053215,0.00007757,-0.00000422,-0 .00020147,0.00041492,0.00019608,0.00025760,-0.05317409,0.34158386,0.00 016614,0.00005580,0.00001634,0.00001344,0.00000158,0.00002260,0.000065 17,-0.00001475,0.00004059,0.00000087,-0.00001740,0.00002375,-0.0002502 3,-0.00012759,-0.00014479,0.00109384,-0.00139393,-0.00092847,-0.000041 07,0.00015323,0.00009556,0.00310055,0.00464136,-0.00195490,-0.00054342 ,0.00002749,0.00003701,-0.00088907,0.00313226,-0.00063561,0.00006122,0 .00026050,0.00009645,-0.00107882,-0.00168313,0.00023205,-0.00292479,-0 .00138611,-0.00508981,-0.00375145,0.00323707,0.00180970,0.00315187,0.0 1318663,0.00119778,-0.02903400,0.06557425,-0.06336580,-0.00057688,-0.0 0053215,0.00184042,-0.00003987,0.00082211,0.00062307,0.00169824,-0.000 42259,-0.00109624,0.02395382,-0.06899889,0.05746741,-0.00108739,-0.000 55682,-0.00042350,-0.00018036,0.00002543,0.00000973,-0.00108737,0.0005 5686,-0.00042350,-0.00018036,-0.00002542,0.00000973,0.00193444,0.00049 959,0.00186075,-0.00900185,0.00463831,0.01448616,-0.00045036,0.0002848 0,-0.00008085,-0.00900176,-0.00463821,0.01448605,-0.00045040,-0.000284 80,-0.00008085,0.00193441,-0.00049957,0.00186072,-0.00085950,-0.000446 29,-0.00025873,-0.00085952,0.00044626,-0.00025872,-0.06935894,0.020737 78,-0.03105371,-0.02127745,0.01204610,-0.03077115,-0.02127735,-0.01204 605,-0.03077117,-0.06935967,-0.02073845,-0.03105439,0.00034265,-0.0032 9584,0.00559890,-0.00049947,-0.00288193,-0.00619869,-0.00049942,0.0028 8192,-0.00619869,0.00034280,0.00329589,0.00559899,0.63451789,0.0000579 5,0.00015117,-0.00036086,-0.00000517,0.00001612,0.00003543,-0.00005791 ,0.00015113,0.00036085,0.00000517,0.00001612,-0.00003543,0.00002665,0. 00082889,0.00133456,-0.00368375,-0.00075971,0.00389896,0.00025916,-0.0 0001940,-0.00028505,0.00368390,-0.00075962,-0.00389903,-0.00025920,-0. 00001939,0.00028508,-0.00002666,0.00082894,-0.00133460,-0.00004673,-0. 00056897,-0.00020410,0.00004672,-0.00056900,0.00020410,0.02795695,-0.1 5268187,0.05832121,0.00706976,0.00330831,0.00743214,-0.00706972,0.0033 0851,-0.00743204,-0.02795737,-0.15268292,-0.05832208,0.00529568,-0.008 90372,0.01775134,-0.00207052,-0.00100923,-0.00025984,0.00207051,-0.001 00925,0.00025988,-0.00529583,-0.00890373,-0.01775140,-0.00000035,0.404 26149,0.00057682,0.00003611,-0.00044880,0.00003036,0.00003736,0.000083 16,0.00057682,-0.00003615,-0.00044880,0.00003036,-0.00003736,0.0000831 6,-0.00095599,-0.00189909,0.00003518,0.01245950,-0.00932123,-0.0191583 3,-0.00002248,-0.00034697,0.00007099,0.01245948,0.00932107,-0.01915821 ,-0.00002244,0.00034697,0.00007099,-0.00095586,0.00189910,0.00003516,- 0.00008033,0.00050432,0.00007628,-0.00008034,-0.00050430,0.00007629,-0 .04315483,0.04775106,-0.09969485,-0.01235867,0.00951839,-0.02441470,-0 .01235872,-0.00951830,-0.02441462,-0.04315514,-0.04775182,-0.09969546, 0.00489231,-0.00854578,0.00929423,-0.00356758,-0.00138781,0.00208350,- 0.00356760,0.00138782,0.00208352,0.00489222,0.00854566,0.00929421,0.05 529997,0.00000121,0.54060121,-0.00163053,0.00069555,0.00109996,0.00000 192,-0.00001244,-0.00005061,-0.00163055,-0.00069551,0.00109996,0.00000 192,0.00001244,-0.00005061,0.00052073,-0.00056590,0.00075971,-0.000395 67,0.00030860,0.00083559,-0.00006650,0.00000062,0.00005838,-0.00039568 ,-0.00030860,0.00083556,-0.00006649,-0.00000062,0.00005838,0.00052076, 0.00056589,0.00075970,-0.00022740,0.00025748,-0.00005799,-0.00022741,- 0.00025748,-0.00005799,-0.00240277,-0.00038869,0.00037783,-0.00062116, -0.00068390,-0.00060980,-0.00062118,0.00068387,-0.00060980,-0.00240291 ,0.00038874,0.00037781,0.00010698,0.00029655,-0.00025705,0.00030343,-0 .00011495,-0.00025592,0.00030343,0.00011496,-0.00025593,0.00010700,-0. 00029655,-0.00025705,-0.29654375,0.00000046,-0.08968082,0.32319867,0.0 0010229,-0.00011107,0.00005665,0.00007897,-0.00001902,-0.00002089,-0.0 0010227,-0.00011103,-0.00005664,-0.00007897,-0.00001901,0.00002089,-0. 00043941,0.00031244,0.00089175,0.00065506,-0.00031140,0.00037683,-0.00 013972,-0.00001743,0.00002992,-0.00065501,-0.00031137,-0.00037684,0.00 013972,-0.00001744,-0.00002991,0.00043935,0.00031238,-0.00089181,0.000 08206,-0.00041714,-0.00008486,-0.00008205,-0.00041713,0.00008487,0.024 78381,0.00469023,0.00600573,0.00101802,-0.00467700,0.00386870,-0.00101 802,-0.00467697,-0.00386872,-0.02478386,0.00469037,-0.00600570,-0.0007 7113,0.00025361,-0.00029164,0.00034967,0.00084230,0.00134903,-0.000349 66,0.00084229,-0.00134903,0.00077116,0.00025364,0.00029165,0.00000049, -0.05194978,0.00000016,-0.00000055,0.05053550,0.00054250,-0.00047241,0 .00023622,-0.00007007,0.00004181,0.00006127,0.00054253,0.00047241,0.00 023621,-0.00007007,-0.00004181,0.00006127,-0.00017578,0.00074525,-0.00 121736,-0.00063298,0.00094583,0.00001749,0.00011920,-0.00002395,0.0000 6026,-0.00063298,-0.00094581,0.00001751,0.00011919,0.00002394,0.000060 26,-0.00017583,-0.00074526,-0.00121736,0.00027627,-0.00002843,0.000095 46,0.00027627,0.00002843,0.00009546,-0.01388609,-0.00240259,-0.0076561 0,-0.00182420,0.00342275,-0.00062098,-0.00182420,-0.00342275,-0.000620 99,-0.01388611,0.00240267,-0.00765612,0.00066548,0.00008270,0.00004944 ,-0.00056202,-0.00039397,-0.00072974,-0.00056202,0.00039397,-0.0007297 4,0.00066550,-0.00008269,0.00004945,-0.08463920,0.00000013,-0.07478073 ,0.09146560,-0.00000017,0.08485526,0.00024297,0.00006535,0.00029014,-0 .00002946,0.00002285,-0.00000112,0.00024297,-0.00006536,0.00029014,-0. 00002946,-0.00002285,-0.00000112,0.00018797,0.00046436,-0.00016456,-0. 00008165,0.00033739,0.00044101,-0.00013334,-0.00000809,0.00016557,-0.0 0008166,-0.00033740,0.00044097,-0.00013333,0.00000810,0.00016557,0.000 18795,-0.00046436,-0.00016454,-0.00002351,-0.00028133,0.00000312,-0.00 002350,0.00028133,0.00000312,0.00242768,-0.00084249,-0.00350331,-0.000 70349,-0.00299929,-0.00323504,-0.00070351,0.00299930,-0.00323503,0.002 42777,0.00084250,-0.00350340,0.00032485,-0.00023361,0.00048250,-0.0004 3284,0.00003254,0.00058200,-0.00043285,-0.00003255,0.00058200,0.000324 84,0.00023361,0.00048251,-0.13709728,0.00000028,0.11874296,-0.01783281 ,0.00000007,0.02426901,0.15137167,0.00003191,-0.00002887,-0.00007613,0 .00004127,0.00002519,0.00000595,-0.00003191,-0.00002887,0.00007612,-0. 00004126,0.00002519,-0.00000595,0.00097179,0.00057002,0.00032235,-0.00 064474,-0.00168922,0.00235244,-0.00064892,0.00020473,0.00040896,0.0006 4468,-0.00168929,-0.00235240,0.00064892,0.00020471,-0.00040896,-0.0009 7178,0.00057005,-0.00032235,-0.00022020,-0.00042836,-0.00014233,0.0002 2019,-0.00042838,0.00014233,-0.01211959,-0.00193537,0.02341890,0.00050 847,-0.00162555,0.00069464,-0.00050848,-0.00162558,-0.00069461,0.01211 967,-0.00193545,-0.02341894,0.00033812,-0.00014427,-0.00094401,0.00065 739,-0.00008861,-0.00078975,-0.00065739,-0.00008861,0.00078975,-0.0003 3814,-0.00014430,0.00094400,0.00000030,-0.03303408,-0.00000043,0.00000 004,0.00032305,-0.00000005,-0.00000035,0.04299188,0.00017215,0.0001172 0,0.00013649,0.00001636,0.00000470,0.00002585,0.00017215,-0.00011720,0 .00013649,0.00001636,-0.00000470,0.00002585,-0.00077212,-0.00036647,-0 .00007203,0.00090675,-0.00196121,-0.00176324,0.00011365,-0.00003251,-0 .00009014,0.00090676,0.00196120,-0.00176322,0.00011366,0.00003250,-0.0 0009015,-0.00077212,0.00036649,-0.00007202,0.00020718,0.00026516,0.000 06296,0.00020717,-0.00026517,0.00006296,0.00739377,0.00031660,-0.01468 534,0.00082726,0.00116355,0.00040588,0.00082726,-0.00116355,0.00040589 ,0.00739382,-0.00031661,-0.01468536,-0.00038387,0.00032991,0.00036926, -0.00062354,0.00007167,0.00049736,-0.00062354,-0.00007167,0.00049735,- 0.00038387,-0.00032991,0.00036924,0.12300215,-0.00000046,-0.20167338,- 0.00558489,0.00000002,0.00933353,-0.13313251,0.00000046,0.22256578||-0 .00000035,-0.00000024,0.00000035,-0.00000017,-0.00000077,-0.00000020,- 0.00000010,0.00000015,0.00000043,-0.00000021,0.00000088,-0.00000020,-0 .00000006,-0.00000150,0.00000022,0.00000852,-0.00000878,-0.00000249,0. 00000323,0.00000031,-0.00000206,0.00001090,0.00000860,-0.00000313,0.00 000256,-0.00000015,-0.00000119,-0.00000173,0.00000120,0.00000056,-0.00 000134,0.00000192,-0.00000141,-0.00000121,-0.00000177,-0.00000152,-0.0 0000537,0.00000400,-0.00000105,-0.00001106,0.00000734,0.00000446,-0.00 000975,-0.00000780,0.00000406,-0.00000665,-0.00000293,-0.00000114,0.00 000282,-0.00000006,0.00000214,0.00000051,-0.00000011,0.00000137,0.0000 0049,0.00000008,0.00000140,0.00000366,0.00000007,0.00000189,0.00000404 ,-0.00000049,-0.00000221,0.00000092,0.00000008,-0.00000130,0.00000033, -0.00000002,0.00000102|||@ REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION. Job cpu time: 0 days 0 hours 15 minutes 20.0 seconds. File lengths (MBytes): RWF= 132 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 10 15:54:54 2016.