Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 9244. 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 30-Nov-2016 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\hjk114\3rd Year Labs\ex 2\ex2-EXO-gfprint.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity integr al=grid=ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,11=1,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,11=1,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,11=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 2.10959 0.70377 -0.72687 C 2.10953 -0.70399 -0.72676 C 1.1939 -1.36452 0.07825 C 0.79258 -0.77895 1.41677 C 0.79262 0.77921 1.41665 C 1.19408 1.36453 0.07807 H 2.64921 1.2442 -1.5022 H 2.64911 -1.24459 -1.50201 H 1.08843 -2.4447 -0.01215 H -0.1807 -1.18332 1.71578 H -0.18067 1.18368 1.71551 H 1.08866 2.44469 -0.01254 H 1.50806 1.14206 2.16768 H 1.50808 -1.14173 2.16779 C -0.75852 0.69453 -0.97092 C -0.7585 -0.69468 -0.97078 C -2.40447 0.00006 0.41853 H -0.50631 -1.34467 -1.79202 H -2.20092 0.00015 1.49817 H -0.50621 1.34442 -1.79219 O -1.81585 1.148 -0.18566 O -1.81588 -1.14799 -0.18547 H -3.48778 0.00006 0.23952 Add virtual bond connecting atoms C15 and C6 Dist= 4.38D+00. Add virtual bond connecting atoms C16 and C3 Dist= 4.38D+00. Add virtual bond connecting atoms H19 and H10 Dist= 4.44D+00. Add virtual bond connecting atoms H19 and H11 Dist= 4.44D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4078 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.3866 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0883 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.3866 calculate D2E/DX2 analytically ! ! R5 R(2,8) 1.0883 calculate D2E/DX2 analytically ! ! R6 R(3,4) 1.5151 calculate D2E/DX2 analytically ! ! R7 R(3,9) 1.0891 calculate D2E/DX2 analytically ! ! R8 R(3,16) 2.3154 calculate D2E/DX2 analytically ! ! R9 R(4,5) 1.5582 calculate D2E/DX2 analytically ! ! R10 R(4,10) 1.0955 calculate D2E/DX2 analytically ! ! R11 R(4,14) 1.0989 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.5151 calculate D2E/DX2 analytically ! ! R13 R(5,11) 1.0955 calculate D2E/DX2 analytically ! ! R14 R(5,13) 1.0989 calculate D2E/DX2 analytically ! ! R15 R(6,12) 1.0891 calculate D2E/DX2 analytically ! ! R16 R(6,15) 2.3156 calculate D2E/DX2 analytically ! ! R17 R(10,19) 2.3514 calculate D2E/DX2 analytically ! ! R18 R(11,19) 2.3515 calculate D2E/DX2 analytically ! ! R19 R(15,16) 1.3892 calculate D2E/DX2 analytically ! ! R20 R(15,20) 1.0773 calculate D2E/DX2 analytically ! ! R21 R(15,21) 1.3929 calculate D2E/DX2 analytically ! ! R22 R(16,18) 1.0773 calculate D2E/DX2 analytically ! ! R23 R(16,22) 1.3929 calculate D2E/DX2 analytically ! ! R24 R(17,19) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(17,21) 1.4245 calculate D2E/DX2 analytically ! ! R26 R(17,22) 1.4245 calculate D2E/DX2 analytically ! ! R27 R(17,23) 1.098 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 118.4542 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 119.7791 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 120.2857 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 118.4526 calculate D2E/DX2 analytically ! ! A5 A(1,2,8) 119.7793 calculate D2E/DX2 analytically ! ! A6 A(3,2,8) 120.2864 calculate D2E/DX2 analytically ! ! A7 A(2,3,4) 120.2442 calculate D2E/DX2 analytically ! ! A8 A(2,3,9) 119.2241 calculate D2E/DX2 analytically ! ! A9 A(2,3,16) 98.9729 calculate D2E/DX2 analytically ! ! A10 A(4,3,9) 115.5317 calculate D2E/DX2 analytically ! ! A11 A(4,3,16) 93.7328 calculate D2E/DX2 analytically ! ! A12 A(9,3,16) 99.652 calculate D2E/DX2 analytically ! ! A13 A(3,4,5) 112.7311 calculate D2E/DX2 analytically ! ! A14 A(3,4,10) 109.4986 calculate D2E/DX2 analytically ! ! A15 A(3,4,14) 107.6815 calculate D2E/DX2 analytically ! ! A16 A(5,4,10) 111.6632 calculate D2E/DX2 analytically ! ! A17 A(5,4,14) 109.2788 calculate D2E/DX2 analytically ! ! A18 A(10,4,14) 105.668 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 112.7307 calculate D2E/DX2 analytically ! ! A20 A(4,5,11) 111.6633 calculate D2E/DX2 analytically ! ! A21 A(4,5,13) 109.2787 calculate D2E/DX2 analytically ! ! A22 A(6,5,11) 109.4986 calculate D2E/DX2 analytically ! ! A23 A(6,5,13) 107.6823 calculate D2E/DX2 analytically ! ! A24 A(11,5,13) 105.6675 calculate D2E/DX2 analytically ! ! A25 A(1,6,5) 120.2465 calculate D2E/DX2 analytically ! ! A26 A(1,6,12) 119.2248 calculate D2E/DX2 analytically ! ! A27 A(1,6,15) 98.9688 calculate D2E/DX2 analytically ! ! A28 A(5,6,12) 115.5327 calculate D2E/DX2 analytically ! ! A29 A(5,6,15) 93.7279 calculate D2E/DX2 analytically ! ! A30 A(12,6,15) 99.6519 calculate D2E/DX2 analytically ! ! A31 A(4,10,19) 123.5208 calculate D2E/DX2 analytically ! ! A32 A(5,11,19) 123.5209 calculate D2E/DX2 analytically ! ! A33 A(6,15,16) 106.8151 calculate D2E/DX2 analytically ! ! A34 A(6,15,20) 88.4706 calculate D2E/DX2 analytically ! ! A35 A(6,15,21) 106.8882 calculate D2E/DX2 analytically ! ! A36 A(16,15,20) 127.1095 calculate D2E/DX2 analytically ! ! A37 A(16,15,21) 108.9966 calculate D2E/DX2 analytically ! ! A38 A(20,15,21) 114.2789 calculate D2E/DX2 analytically ! ! A39 A(3,16,15) 106.8195 calculate D2E/DX2 analytically ! ! A40 A(3,16,18) 88.4779 calculate D2E/DX2 analytically ! ! A41 A(3,16,22) 106.8888 calculate D2E/DX2 analytically ! ! A42 A(15,16,18) 127.1059 calculate D2E/DX2 analytically ! ! A43 A(15,16,22) 108.9944 calculate D2E/DX2 analytically ! ! A44 A(18,16,22) 114.2768 calculate D2E/DX2 analytically ! ! A45 A(19,17,21) 109.8872 calculate D2E/DX2 analytically ! ! A46 A(19,17,22) 109.8878 calculate D2E/DX2 analytically ! ! A47 A(19,17,23) 110.0598 calculate D2E/DX2 analytically ! ! A48 A(21,17,22) 107.3902 calculate D2E/DX2 analytically ! ! A49 A(21,17,23) 109.7869 calculate D2E/DX2 analytically ! ! A50 A(22,17,23) 109.7874 calculate D2E/DX2 analytically ! ! A51 A(10,19,11) 60.4378 calculate D2E/DX2 analytically ! ! A52 A(10,19,17) 104.4817 calculate D2E/DX2 analytically ! ! A53 A(11,19,17) 104.48 calculate D2E/DX2 analytically ! ! A54 A(15,21,17) 106.8828 calculate D2E/DX2 analytically ! ! A55 A(16,22,17) 106.8832 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) 0.0029 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) 166.1616 calculate D2E/DX2 analytically ! ! D3 D(7,1,2,3) -166.1585 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,8) 0.0002 calculate D2E/DX2 analytically ! ! D5 D(2,1,6,5) 34.4373 calculate D2E/DX2 analytically ! ! D6 D(2,1,6,12) -171.6742 calculate D2E/DX2 analytically ! ! D7 D(2,1,6,15) -65.2474 calculate D2E/DX2 analytically ! ! D8 D(7,1,6,5) -159.4737 calculate D2E/DX2 analytically ! ! D9 D(7,1,6,12) -5.5851 calculate D2E/DX2 analytically ! ! D10 D(7,1,6,15) 100.8417 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,4) -34.4438 calculate D2E/DX2 analytically ! ! D12 D(1,2,3,9) 171.6778 calculate D2E/DX2 analytically ! ! D13 D(1,2,3,16) 65.2486 calculate D2E/DX2 analytically ! ! D14 D(8,2,3,4) 159.47 calculate D2E/DX2 analytically ! ! D15 D(8,2,3,9) 5.5916 calculate D2E/DX2 analytically ! ! D16 D(8,2,3,16) -100.8377 calculate D2E/DX2 analytically ! ! D17 D(2,3,4,5) 32.6273 calculate D2E/DX2 analytically ! ! D18 D(2,3,4,10) 157.5823 calculate D2E/DX2 analytically ! ! D19 D(2,3,4,14) -87.988 calculate D2E/DX2 analytically ! ! D20 D(9,3,4,5) -172.5753 calculate D2E/DX2 analytically ! ! D21 D(9,3,4,10) -47.6203 calculate D2E/DX2 analytically ! ! D22 D(9,3,4,14) 66.8094 calculate D2E/DX2 analytically ! ! D23 D(16,3,4,5) -70.0209 calculate D2E/DX2 analytically ! ! D24 D(16,3,4,10) 54.9341 calculate D2E/DX2 analytically ! ! D25 D(16,3,4,14) 169.3638 calculate D2E/DX2 analytically ! ! D26 D(2,3,16,15) -56.5237 calculate D2E/DX2 analytically ! ! D27 D(2,3,16,18) 71.971 calculate D2E/DX2 analytically ! ! D28 D(2,3,16,22) -173.0831 calculate D2E/DX2 analytically ! ! D29 D(4,3,16,15) 64.8967 calculate D2E/DX2 analytically ! ! D30 D(4,3,16,18) -166.6086 calculate D2E/DX2 analytically ! ! D31 D(4,3,16,22) -51.6627 calculate D2E/DX2 analytically ! ! D32 D(9,3,16,15) -178.4094 calculate D2E/DX2 analytically ! ! D33 D(9,3,16,18) -49.9147 calculate D2E/DX2 analytically ! ! D34 D(9,3,16,22) 65.0312 calculate D2E/DX2 analytically ! ! D35 D(3,4,5,6) -0.0047 calculate D2E/DX2 analytically ! ! D36 D(3,4,5,11) 123.7612 calculate D2E/DX2 analytically ! ! D37 D(3,4,5,13) -119.7019 calculate D2E/DX2 analytically ! ! D38 D(10,4,5,6) -123.7708 calculate D2E/DX2 analytically ! ! D39 D(10,4,5,11) -0.0049 calculate D2E/DX2 analytically ! ! D40 D(10,4,5,13) 116.532 calculate D2E/DX2 analytically ! ! D41 D(14,4,5,6) 119.6917 calculate D2E/DX2 analytically ! ! D42 D(14,4,5,11) -116.5424 calculate D2E/DX2 analytically ! ! D43 D(14,4,5,13) -0.0055 calculate D2E/DX2 analytically ! ! D44 D(3,4,10,19) -101.4492 calculate D2E/DX2 analytically ! ! D45 D(5,4,10,19) 24.1221 calculate D2E/DX2 analytically ! ! D46 D(14,4,10,19) 142.832 calculate D2E/DX2 analytically ! ! D47 D(4,5,6,1) -32.6185 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,12) 172.5744 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,15) 70.0224 calculate D2E/DX2 analytically ! ! D50 D(11,5,6,1) -157.5734 calculate D2E/DX2 analytically ! ! D51 D(11,5,6,12) 47.6195 calculate D2E/DX2 analytically ! ! D52 D(11,5,6,15) -54.9325 calculate D2E/DX2 analytically ! ! D53 D(13,5,6,1) 87.9971 calculate D2E/DX2 analytically ! ! D54 D(13,5,6,12) -66.81 calculate D2E/DX2 analytically ! ! D55 D(13,5,6,15) -169.362 calculate D2E/DX2 analytically ! ! D56 D(4,5,11,19) -24.1139 calculate D2E/DX2 analytically ! ! D57 D(6,5,11,19) 101.4569 calculate D2E/DX2 analytically ! ! D58 D(13,5,11,19) -142.8236 calculate D2E/DX2 analytically ! ! D59 D(1,6,15,16) 56.5216 calculate D2E/DX2 analytically ! ! D60 D(1,6,15,20) -71.9733 calculate D2E/DX2 analytically ! ! D61 D(1,6,15,21) 173.0811 calculate D2E/DX2 analytically ! ! D62 D(5,6,15,16) -64.8993 calculate D2E/DX2 analytically ! ! D63 D(5,6,15,20) 166.6058 calculate D2E/DX2 analytically ! ! D64 D(5,6,15,21) 51.6602 calculate D2E/DX2 analytically ! ! D65 D(12,6,15,16) 178.4069 calculate D2E/DX2 analytically ! ! D66 D(12,6,15,20) 49.912 calculate D2E/DX2 analytically ! ! D67 D(12,6,15,21) -65.0336 calculate D2E/DX2 analytically ! ! D68 D(4,10,19,11) -26.0724 calculate D2E/DX2 analytically ! ! D69 D(4,10,19,17) 72.5778 calculate D2E/DX2 analytically ! ! D70 D(5,11,19,10) 26.0687 calculate D2E/DX2 analytically ! ! D71 D(5,11,19,17) -72.5843 calculate D2E/DX2 analytically ! ! D72 D(6,15,16,3) 0.0008 calculate D2E/DX2 analytically ! ! D73 D(6,15,16,18) -101.1781 calculate D2E/DX2 analytically ! ! D74 D(6,15,16,22) 115.1534 calculate D2E/DX2 analytically ! ! D75 D(20,15,16,3) 101.168 calculate D2E/DX2 analytically ! ! D76 D(20,15,16,18) -0.0109 calculate D2E/DX2 analytically ! ! D77 D(20,15,16,22) -143.6794 calculate D2E/DX2 analytically ! ! D78 D(21,15,16,3) -115.1497 calculate D2E/DX2 analytically ! ! D79 D(21,15,16,18) 143.6713 calculate D2E/DX2 analytically ! ! D80 D(21,15,16,22) 0.0028 calculate D2E/DX2 analytically ! ! D81 D(6,15,21,17) -109.4631 calculate D2E/DX2 analytically ! ! D82 D(16,15,21,17) 5.6402 calculate D2E/DX2 analytically ! ! D83 D(20,15,21,17) 154.4321 calculate D2E/DX2 analytically ! ! D84 D(3,16,22,17) 109.463 calculate D2E/DX2 analytically ! ! D85 D(15,16,22,17) -5.6447 calculate D2E/DX2 analytically ! ! D86 D(18,16,22,17) -154.4243 calculate D2E/DX2 analytically ! ! D87 D(21,17,19,10) -90.2996 calculate D2E/DX2 analytically ! ! D88 D(21,17,19,11) -27.6594 calculate D2E/DX2 analytically ! ! D89 D(22,17,19,10) 27.66 calculate D2E/DX2 analytically ! ! D90 D(22,17,19,11) 90.3003 calculate D2E/DX2 analytically ! ! D91 D(23,17,19,10) 148.6807 calculate D2E/DX2 analytically ! ! D92 D(23,17,19,11) -148.679 calculate D2E/DX2 analytically ! ! D93 D(19,17,21,15) 110.4639 calculate D2E/DX2 analytically ! ! D94 D(22,17,21,15) -9.0329 calculate D2E/DX2 analytically ! ! D95 D(23,17,21,15) -128.3525 calculate D2E/DX2 analytically ! ! D96 D(19,17,22,16) -110.4618 calculate D2E/DX2 analytically ! ! D97 D(21,17,22,16) 9.0346 calculate D2E/DX2 analytically ! ! D98 D(23,17,22,16) 128.3539 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 2.109591 0.703767 -0.726870 2 6 0 2.109532 -0.703989 -0.726762 3 6 0 1.193899 -1.364522 0.078253 4 6 0 0.792584 -0.778953 1.416773 5 6 0 0.792622 0.779206 1.416648 6 6 0 1.194075 1.364528 0.078071 7 1 0 2.649214 1.244196 -1.502201 8 1 0 2.649110 -1.244586 -1.502006 9 1 0 1.088428 -2.444696 -0.012150 10 1 0 -0.180700 -1.183323 1.715783 11 1 0 -0.180669 1.183675 1.715510 12 1 0 1.088659 2.444689 -0.012544 13 1 0 1.508062 1.142063 2.167678 14 1 0 1.508077 -1.141725 2.167791 15 6 0 -0.758524 0.694533 -0.970915 16 6 0 -0.758500 -0.694684 -0.970780 17 6 0 -2.404469 0.000059 0.418531 18 1 0 -0.506308 -1.344668 -1.792021 19 1 0 -2.200924 0.000153 1.498170 20 1 0 -0.506211 1.344417 -1.792193 21 8 0 -1.815849 1.148000 -0.185661 22 8 0 -1.815877 -1.147991 -0.185468 23 1 0 -3.487778 0.000062 0.239519 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.407756 0.000000 3 C 2.400944 1.386628 0.000000 4 C 2.920303 2.516886 1.515117 0.000000 5 C 2.516896 2.920330 2.558885 1.558159 0.000000 6 C 1.386616 2.400954 2.729050 2.558873 1.515109 7 H 1.088299 2.165176 3.379525 4.007570 3.490391 8 H 2.165178 1.088298 2.151567 3.490383 4.007596 9 H 3.386210 2.140884 1.089070 2.214508 3.538716 10 H 3.843578 3.382447 2.145661 1.095538 2.210963 11 H 3.382429 3.843565 3.326162 2.210967 1.095541 12 H 2.140881 3.386216 3.811746 3.538711 2.214512 13 H 2.988704 3.485320 3.278317 2.183133 1.098893 14 H 3.485215 2.988611 2.124739 1.098891 2.183133 15 C 2.878494 3.200191 3.025296 3.205956 2.848452 16 C 3.200172 2.878409 2.315387 2.848398 3.205954 17 C 4.709977 4.709945 3.863434 3.438676 3.438706 18 H 3.489063 2.896181 2.527652 3.507636 4.061233 19 H 4.901675 4.901650 3.924707 3.094305 3.094331 20 H 2.896164 3.489014 3.705036 4.061161 3.507576 21 O 3.987396 4.373931 3.929504 3.617301 3.083427 22 O 4.373948 3.987352 3.029057 3.083413 3.617338 23 H 5.723604 5.723571 4.879159 4.507138 4.507163 6 7 8 9 10 6 C 0.000000 7 H 2.151550 0.000000 8 H 3.379533 2.488782 0.000000 9 H 3.811757 4.273667 2.468940 0.000000 10 H 3.326207 4.925107 4.285527 2.487469 0.000000 11 H 2.145655 4.285506 4.925090 4.214320 2.366998 12 H 1.089069 2.468926 4.273670 4.889385 4.214363 13 H 2.124744 3.844564 4.523789 4.218126 2.909217 14 H 3.278236 4.523677 3.844470 2.574098 1.748716 15 C 2.315579 3.492431 3.956540 3.766327 3.328449 16 C 3.025391 3.956536 3.492334 2.718944 2.791100 17 C 3.863574 5.547684 5.547636 4.285165 2.833444 18 H 3.705171 4.091886 3.170298 2.630815 3.526576 19 H 3.924821 5.837269 5.837231 4.367859 2.351441 20 H 2.527699 3.170307 4.091845 4.479822 4.336049 21 O 3.029205 4.656106 5.233841 4.623029 3.424072 22 O 3.929633 5.233869 4.656040 3.185352 2.507949 23 H 4.879301 6.499548 6.499496 5.194405 3.810055 11 12 13 14 15 11 H 0.000000 12 H 2.487473 0.000000 13 H 1.748714 2.574121 0.000000 14 H 2.909279 4.218073 2.283788 0.000000 15 C 2.791067 2.719119 3.897238 4.284950 0.000000 16 C 3.328404 3.766414 4.284958 3.897159 1.389217 17 C 2.833441 4.285322 4.435266 4.435267 2.263181 18 H 4.336050 4.479920 5.091241 4.447364 2.212729 19 H 2.351466 4.367994 3.938118 3.938142 2.942628 20 H 3.526442 2.630848 4.447339 5.091142 1.077269 21 O 2.507895 3.185520 4.072668 4.672265 1.392908 22 O 3.424075 4.623157 4.672281 4.072657 2.264910 23 H 3.810047 5.194566 5.475434 5.475443 3.065333 16 17 18 19 20 16 C 0.000000 17 C 2.263198 0.000000 18 H 1.077273 3.209026 0.000000 19 H 2.942635 1.098659 3.937718 0.000000 20 H 2.212759 3.209047 2.689085 3.937713 0.000000 21 O 2.264925 1.424532 3.241710 2.073915 2.081989 22 O 1.392928 1.424526 2.081986 2.073917 3.241741 23 H 3.065364 1.098000 3.850275 1.800054 3.850310 21 22 23 21 O 0.000000 22 O 2.295991 0.000000 23 H 2.072169 2.072171 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109591 -0.703767 -0.726870 2 6 0 -2.109532 0.703989 -0.726762 3 6 0 -1.193899 1.364522 0.078253 4 6 0 -0.792584 0.778953 1.416773 5 6 0 -0.792622 -0.779206 1.416648 6 6 0 -1.194075 -1.364528 0.078071 7 1 0 -2.649214 -1.244196 -1.502201 8 1 0 -2.649110 1.244586 -1.502006 9 1 0 -1.088428 2.444696 -0.012150 10 1 0 0.180700 1.183323 1.715783 11 1 0 0.180669 -1.183675 1.715510 12 1 0 -1.088659 -2.444689 -0.012544 13 1 0 -1.508062 -1.142063 2.167678 14 1 0 -1.508077 1.141725 2.167791 15 6 0 0.758524 -0.694533 -0.970915 16 6 0 0.758500 0.694684 -0.970780 17 6 0 2.404469 -0.000059 0.418531 18 1 0 0.506308 1.344668 -1.792021 19 1 0 2.200924 -0.000153 1.498170 20 1 0 0.506211 -1.344417 -1.792193 21 8 0 1.815849 -1.148000 -0.185661 22 8 0 1.815877 1.147991 -0.185468 23 1 0 3.487778 -0.000062 0.239519 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100523 1.0126935 0.9486278 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.986548858084 -1.329927237459 -1.373585188120 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 -3.986548858084 -1.329927237459 -1.373585188120 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 -3.986548858084 -1.329927237459 -1.373585188120 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.986548858084 -1.329927237459 -1.373585188120 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -3.986437579818 1.330346064477 -1.373381097697 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -3.986437579818 1.330346064477 -1.373381097697 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -3.986437579818 1.330346064477 -1.373381097697 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -3.986437579818 1.330346064477 -1.373381097697 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -2.256142072736 2.578572676425 0.147876785168 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -2.256142072736 2.578572676425 0.147876785168 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -2.256142072736 2.578572676425 0.147876785168 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -2.256142072736 2.578572676425 0.147876785168 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -1.497766540046 1.472007695972 2.677313008558 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 -1.497766540046 1.472007695972 2.677313008558 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 -1.497766540046 1.472007695972 2.677313008558 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -1.497766540046 1.472007695972 2.677313008558 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -1.497838111032 -1.472486085524 2.677076792791 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 18 SP 3 bf 62 - 65 -1.497838111032 -1.472486085524 2.677076792791 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 19 SP 1 bf 66 - 69 -1.497838111032 -1.472486085524 2.677076792791 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -1.497838111032 -1.472486085524 2.677076792791 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -2.256474246624 -2.578584426553 0.147532855011 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 22 SP 3 bf 77 - 80 -2.256474246624 -2.578584426553 0.147532855011 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 23 SP 1 bf 81 - 84 -2.256474246624 -2.578584426553 0.147532855011 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -2.256474246624 -2.578584426553 0.147532855011 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -5.006288460332 -2.351190124363 -2.838748440456 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -5.006288460332 -2.351190124363 -2.838748440456 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -5.006092309932 2.351926260108 -2.838379943860 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 -5.006092309932 2.351926260108 -2.838379943860 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 -2.056830933186 4.619805728440 -0.022960126424 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 -2.056830933186 4.619805728440 -0.022960126424 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 0.341473607550 2.236156401371 3.242360019552 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 0.341473607550 2.236156401371 3.242360019552 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 0.341415388509 -2.236821575722 3.241844124318 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 0.341415388509 -2.236821575722 3.241844124318 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -2.057266711190 -4.619792879835 -0.023704678520 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 -2.057266711190 -4.619792879835 -0.023704678520 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -2.849823719977 -2.158186550483 4.096317810372 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 -2.849823719977 -2.158186550483 4.096317810372 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 -2.849852415596 2.157547315085 4.096531349425 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 -2.849852415596 2.157547315085 4.096531349425 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 1.433403008123 -1.312477067141 -1.834763402220 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 1.433403008123 -1.312477067141 -1.834763402220 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 1.433403008123 -1.312477067141 -1.834763402220 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 1.433403008123 -1.312477067141 -1.834763402220 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 1.433357441959 1.312762602004 -1.834508289192 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 46 SP 3 bf 123 - 126 1.433357441959 1.312762602004 -1.834508289192 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 47 SP 1 bf 127 - 130 1.433357441959 1.312762602004 -1.834508289192 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 1.433357441959 1.312762602004 -1.834508289192 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 4.543788181568 -0.000111148681 0.790909014214 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 50 SP 3 bf 138 - 141 4.543788181568 -0.000111148681 0.790909014214 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 51 SP 1 bf 142 - 145 4.543788181568 -0.000111148681 0.790909014214 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 4.543788181568 -0.000111148681 0.790909014214 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 0.956783529520 2.541054314143 -3.386428868289 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 0.956783529520 2.541054314143 -3.386428868289 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 4.159143875864 -0.000288814107 2.831131046596 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 4.159143875864 -0.000288814107 2.831131046596 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 57 S 3 bf 156 - 156 0.956600637876 -2.540579883923 -3.386753901184 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 58 S 1 bf 157 - 157 0.956600637876 -2.540579883923 -3.386753901184 0.1612777588D+00 0.1000000000D+01 Atom O21 Shell 59 S 6 bf 158 - 158 3.431457761018 -2.169405345529 -0.350848397467 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 O21 Shell 60 SP 3 bf 159 - 162 3.431457761018 -2.169405345529 -0.350848397467 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 O21 Shell 61 SP 1 bf 163 - 166 3.431457761018 -2.169405345529 -0.350848397467 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O21 Shell 62 D 1 bf 167 - 172 3.431457761018 -2.169405345529 -0.350848397467 0.8000000000D+00 0.1000000000D+01 Atom O22 Shell 63 S 6 bf 173 - 173 3.431510321754 2.169388848045 -0.350483680323 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O22 Shell 64 SP 3 bf 174 - 177 3.431510321754 2.169388848045 -0.350483680323 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O22 Shell 65 SP 1 bf 178 - 181 3.431510321754 2.169388848045 -0.350483680323 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 66 D 1 bf 182 - 187 3.431510321754 2.169388848045 -0.350483680323 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 6.590945508858 -0.000116651967 0.452625359714 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 6.590945508858 -0.000116651967 0.452625359714 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5225269555 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164757679. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488668967 A.U. after 15 cycles NFock= 15 Conv=0.49D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 66 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.27D-01 1.28D-01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 1.81D-02 5.02D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.31D-04 1.75D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 2.41D-07 5.89D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 2.89D-10 1.94D-06. 56 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 2.48D-13 6.84D-08. 1 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 2.31D-16 1.83D-09. InvSVY: IOpt=1 It= 1 EMax= 9.44D-16 Solved reduced A of dimension 387 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29231 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10712 -1.01317 -0.82908 -0.76590 Alpha occ. eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 Alpha occ. eigenvalues -- -0.44670 -0.44356 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00698 0.01018 0.08377 0.11232 0.11912 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16392 0.17145 0.17764 0.19270 0.19772 Alpha virt. eigenvalues -- 0.20300 0.22881 0.23611 0.24269 0.24913 Alpha virt. eigenvalues -- 0.30440 0.31361 0.32662 0.37011 0.43215 Alpha virt. eigenvalues -- 0.47398 0.47794 0.49140 0.50827 0.52316 Alpha virt. eigenvalues -- 0.54651 0.54787 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60745 0.61336 0.61822 0.63632 0.66310 Alpha virt. eigenvalues -- 0.67864 0.71284 0.72295 0.74095 0.75192 Alpha virt. eigenvalues -- 0.77534 0.79576 0.79876 0.81066 0.82848 Alpha virt. eigenvalues -- 0.84199 0.85444 0.86452 0.88062 0.88447 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91380 0.93717 Alpha virt. eigenvalues -- 0.94028 0.95122 1.00797 1.01440 1.02297 Alpha virt. eigenvalues -- 1.02719 1.09204 1.09917 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15181 1.18938 1.20406 1.25130 1.26444 Alpha virt. eigenvalues -- 1.36727 1.37043 1.39834 1.42716 1.43217 Alpha virt. eigenvalues -- 1.43861 1.47573 1.49205 1.52644 1.58531 Alpha virt. eigenvalues -- 1.63997 1.66107 1.72040 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77090 1.79420 1.86000 1.87774 1.88529 Alpha virt. eigenvalues -- 1.90843 1.93559 1.95824 1.97649 1.97828 Alpha virt. eigenvalues -- 1.98101 2.00055 2.01934 2.04153 2.08885 Alpha virt. eigenvalues -- 2.12026 2.14078 2.16026 2.23003 2.25489 Alpha virt. eigenvalues -- 2.26209 2.27979 2.29194 2.30952 2.31851 Alpha virt. eigenvalues -- 2.37118 2.40149 2.43436 2.44804 2.45142 Alpha virt. eigenvalues -- 2.48406 2.52227 2.54540 2.59887 2.62736 Alpha virt. eigenvalues -- 2.64516 2.67572 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76583 2.80385 2.86682 2.87987 2.94455 Alpha virt. eigenvalues -- 3.10579 3.13114 4.00618 4.10567 4.12768 Alpha virt. eigenvalues -- 4.25201 4.26811 4.36204 4.37022 4.44855 Alpha virt. eigenvalues -- 4.48938 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29231 -10.23860 -10.23802 1 1 C 1S 0.00002 0.00000 -0.00002 -0.00008 0.00004 2 2S 0.00011 0.00000 -0.00007 -0.00010 0.00006 3 2PX 0.00001 0.00000 -0.00002 -0.00007 0.00005 4 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 5 2PZ -0.00002 -0.00001 0.00001 0.00003 0.00001 6 3S -0.00117 0.00011 0.00019 0.00040 0.00110 7 3PX -0.00046 0.00006 0.00024 -0.00002 0.00054 8 3PY -0.00015 0.00022 0.00025 -0.00017 0.00035 9 3PZ -0.00027 0.00009 0.00019 -0.00007 0.00056 10 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 11 4YY 0.00002 0.00001 -0.00003 -0.00006 0.00005 12 4ZZ 0.00004 0.00001 -0.00003 -0.00007 0.00004 13 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 14 4XZ -0.00002 0.00000 0.00002 0.00000 -0.00001 15 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 16 2 C 1S -0.00001 0.00002 -0.00002 -0.00008 -0.00004 17 2S -0.00005 0.00010 -0.00007 -0.00010 -0.00006 18 2PX 0.00000 0.00000 -0.00002 -0.00007 -0.00005 19 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 20 2PZ 0.00000 -0.00002 0.00001 0.00003 -0.00001 21 3S 0.00066 -0.00097 0.00019 0.00041 -0.00110 22 3PX 0.00027 -0.00037 0.00024 -0.00002 -0.00054 23 3PY -0.00027 0.00003 -0.00025 0.00017 0.00035 24 3PZ 0.00021 -0.00020 0.00019 -0.00007 -0.00056 25 4XX -0.00001 0.00001 -0.00001 -0.00006 -0.00003 26 4YY 0.00000 0.00002 -0.00003 -0.00006 -0.00005 27 4ZZ -0.00001 0.00004 -0.00003 -0.00007 -0.00004 28 4XY -0.00001 -0.00001 -0.00001 0.00002 0.00001 29 4XZ 0.00001 -0.00002 0.00002 0.00000 0.00001 30 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00006 31 3 C 1S 0.00001 -0.00002 0.00004 -0.00011 -0.00022 32 2S 0.00007 -0.00013 0.00012 -0.00041 -0.00085 33 2PX 0.00001 0.00002 0.00003 -0.00010 -0.00008 34 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 35 2PZ 0.00001 0.00001 0.00003 -0.00003 -0.00010 36 3S -0.00066 0.00094 -0.00079 0.00148 0.00369 37 3PX -0.00008 -0.00010 -0.00019 0.00090 0.00076 38 3PY 0.00033 -0.00036 0.00067 -0.00037 -0.00137 39 3PZ -0.00013 -0.00019 -0.00037 0.00000 -0.00002 40 4XX 0.00000 0.00003 0.00004 -0.00005 -0.00013 41 4YY 0.00001 -0.00002 0.00004 -0.00020 -0.00028 42 4ZZ 0.00001 -0.00001 0.00003 -0.00013 -0.00020 43 4XY 0.00000 0.00002 0.00002 -0.00007 -0.00010 44 4XZ -0.00001 0.00001 -0.00003 -0.00009 -0.00012 45 4YZ 0.00001 0.00000 0.00002 0.00003 0.00005 46 4 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 47 2S -0.00005 -0.00003 -0.00005 -0.00012 -0.00029 48 2PX -0.00002 0.00001 -0.00006 -0.00013 -0.00015 49 2PY 0.00001 0.00000 0.00004 0.00004 -0.00001 50 2PZ 0.00001 -0.00003 0.00000 0.00020 0.00028 51 3S 0.00049 0.00010 0.00051 -0.00023 0.00028 52 3PX 0.00002 0.00012 0.00002 0.00054 0.00141 53 3PY -0.00012 0.00016 0.00001 -0.00019 -0.00084 54 3PZ -0.00035 0.00030 -0.00041 -0.00027 -0.00056 55 4XX -0.00002 0.00001 -0.00003 -0.00006 -0.00011 56 4YY -0.00001 -0.00001 -0.00002 -0.00010 -0.00010 57 4ZZ -0.00001 -0.00003 0.00002 -0.00011 -0.00016 58 4XY 0.00000 0.00000 0.00002 0.00001 -0.00005 59 4XZ 0.00002 -0.00002 0.00003 0.00001 0.00003 60 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 61 5 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 62 2S 0.00000 -0.00006 -0.00005 -0.00012 0.00029 63 2PX 0.00002 -0.00002 -0.00006 -0.00013 0.00015 64 2PY 0.00000 -0.00001 -0.00004 -0.00004 -0.00001 65 2PZ -0.00003 -0.00001 0.00000 0.00020 -0.00027 66 3S -0.00015 0.00047 0.00051 -0.00023 -0.00029 67 3PX 0.00009 0.00008 0.00002 0.00054 -0.00141 68 3PY -0.00020 0.00002 -0.00001 0.00019 -0.00084 69 3PZ 0.00043 -0.00016 -0.00041 -0.00027 0.00056 70 4XX 0.00002 -0.00002 -0.00003 -0.00006 0.00011 71 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 72 4ZZ -0.00002 -0.00002 0.00002 -0.00011 0.00016 73 4XY 0.00000 0.00000 -0.00002 -0.00001 -0.00005 74 4XZ -0.00003 0.00000 0.00003 0.00001 -0.00003 75 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00003 76 6 C 1S -0.00002 0.00000 0.00004 -0.00011 0.00022 77 2S -0.00015 0.00000 0.00012 -0.00041 0.00085 78 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 79 2PY 0.00000 0.00000 0.00006 -0.00008 0.00015 80 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 81 3S 0.00114 -0.00013 -0.00079 0.00148 -0.00369 82 3PX -0.00006 -0.00012 -0.00019 0.00090 -0.00076 83 3PY 0.00048 -0.00011 -0.00067 0.00037 -0.00137 84 3PZ -0.00011 -0.00021 -0.00037 0.00000 0.00002 85 4XX 0.00003 0.00001 0.00004 -0.00005 0.00013 86 4YY -0.00002 0.00000 0.00004 -0.00020 0.00028 87 4ZZ -0.00001 0.00001 0.00003 -0.00013 0.00020 88 4XY -0.00001 -0.00001 -0.00002 0.00007 -0.00010 89 4XZ 0.00001 -0.00001 -0.00003 -0.00009 0.00012 90 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 91 7 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 92 2S -0.00008 0.00006 0.00012 -0.00020 0.00028 93 8 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00002 94 2S 0.00009 -0.00004 0.00012 -0.00020 -0.00028 95 9 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 96 2S -0.00007 0.00007 -0.00025 -0.00007 0.00001 97 10 H 1S -0.00006 0.00008 -0.00007 -0.00004 -0.00018 98 2S 0.00010 -0.00043 0.00010 -0.00027 -0.00023 99 11 H 1S 0.00010 -0.00001 -0.00007 -0.00004 0.00018 100 2S -0.00043 -0.00012 0.00010 -0.00027 0.00023 101 12 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 102 2S 0.00010 -0.00003 -0.00025 -0.00007 -0.00001 103 13 H 1S -0.00003 -0.00001 0.00001 0.00005 -0.00013 104 2S -0.00012 0.00003 0.00012 0.00049 -0.00082 105 14 H 1S 0.00001 -0.00003 0.00001 0.00005 0.00013 106 2S 0.00009 -0.00009 0.00012 0.00049 0.00082 107 15 C 1S 0.00001 0.00000 -0.00012 0.70254 -0.70186 108 2S 0.00028 0.00013 -0.00038 0.03463 -0.03558 109 2PX 0.00026 0.00002 0.00006 0.00041 -0.00036 110 2PY -0.00014 -0.00006 -0.00014 -0.00024 -0.00010 111 2PZ 0.00021 0.00002 0.00002 0.00060 -0.00067 112 3S -0.00224 -0.00029 0.00089 -0.00717 0.01899 113 3PX -0.00110 0.00013 0.00066 0.00005 0.00024 114 3PY 0.00061 0.00021 0.00057 0.00047 0.00480 115 3PZ -0.00095 0.00020 0.00080 -0.00080 0.00264 116 4XX 0.00012 -0.00001 0.00007 -0.00639 0.00611 117 4YY 0.00013 -0.00008 -0.00003 -0.00645 0.00589 118 4ZZ 0.00006 -0.00002 -0.00003 -0.00635 0.00604 119 4XY -0.00007 -0.00004 0.00004 -0.00009 -0.00002 120 4XZ 0.00007 0.00000 0.00018 0.00019 -0.00019 121 4YZ -0.00006 -0.00004 0.00000 0.00007 -0.00001 122 16 C 1S -0.00001 0.00001 -0.00012 0.70152 0.70288 123 2S -0.00002 0.00031 -0.00038 0.03458 0.03563 124 2PX -0.00010 0.00024 0.00006 0.00041 0.00036 125 2PY -0.00002 0.00015 0.00014 0.00024 -0.00010 126 2PZ -0.00008 0.00019 0.00002 0.00060 0.00067 127 3S 0.00082 -0.00210 0.00089 -0.00715 -0.01900 128 3PX 0.00064 -0.00090 0.00066 0.00005 -0.00024 129 3PY 0.00010 -0.00063 -0.00057 -0.00048 0.00480 130 3PZ 0.00063 -0.00074 0.00080 -0.00080 -0.00264 131 4XX -0.00006 0.00011 0.00007 -0.00639 -0.00612 132 4YY -0.00013 0.00007 -0.00003 -0.00644 -0.00590 133 4ZZ -0.00005 0.00004 -0.00003 -0.00634 -0.00605 134 4XY 0.00000 0.00008 -0.00004 0.00009 -0.00002 135 4XZ -0.00003 0.00006 0.00018 0.00019 0.00019 136 4YZ 0.00001 0.00007 0.00000 -0.00007 -0.00001 137 17 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 138 2S 0.00018 0.00030 0.04864 -0.00058 0.00000 139 2PX -0.00008 -0.00014 -0.00077 -0.00008 0.00000 140 2PY -0.00036 0.00022 0.00000 0.00000 -0.00008 141 2PZ -0.00011 -0.00018 -0.00066 -0.00010 0.00000 142 3S -0.00146 -0.00245 -0.01350 0.00274 0.00000 143 3PX 0.00022 0.00037 0.00060 -0.00136 0.00000 144 3PY 0.00098 -0.00058 0.00000 0.00000 -0.00025 145 3PZ 0.00030 0.00050 -0.00001 -0.00099 0.00000 146 4XX 0.00004 0.00007 -0.00875 0.00007 0.00000 147 4YY 0.00020 0.00033 -0.00875 0.00003 0.00000 148 4ZZ 0.00005 0.00009 -0.00878 0.00002 0.00000 149 4XY 0.00011 -0.00007 0.00000 0.00000 -0.00002 150 4XZ 0.00005 0.00008 0.00006 0.00025 0.00000 151 4YZ 0.00014 -0.00008 0.00000 0.00000 -0.00003 152 18 H 1S 0.00002 0.00012 0.00006 -0.00026 -0.00012 153 2S 0.00010 0.00006 0.00039 0.00139 0.00070 154 19 H 1S 0.00006 0.00010 -0.00007 -0.00013 0.00000 155 2S 0.00009 0.00014 0.00276 -0.00005 0.00000 156 20 H 1S 0.00009 0.00008 0.00006 -0.00026 0.00012 157 2S 0.00001 0.00012 0.00039 0.00139 -0.00070 158 21 O 1S 0.96212 0.24451 -0.00007 -0.00003 0.00014 159 2S 0.02492 0.00640 0.00001 0.00009 0.00035 160 2PX -0.00025 -0.00006 -0.00009 0.00008 -0.00006 161 2PY 0.00086 0.00020 0.00000 0.00004 0.00003 162 2PZ -0.00010 -0.00001 -0.00006 0.00006 -0.00002 163 3S 0.01284 0.00306 0.00114 0.00001 -0.00351 164 3PX -0.00037 0.00002 0.00053 -0.00028 0.00045 165 3PY 0.00034 0.00019 -0.00039 -0.00072 -0.00031 166 3PZ -0.00015 -0.00003 0.00039 -0.00014 -0.00008 167 4XX -0.00797 -0.00200 -0.00010 -0.00015 0.00038 168 4YY -0.00804 -0.00208 -0.00050 -0.00004 0.00038 169 4ZZ -0.00798 -0.00201 -0.00002 -0.00008 0.00034 170 4XY -0.00001 0.00000 -0.00016 0.00009 -0.00017 171 4XZ -0.00003 -0.00003 -0.00020 -0.00032 0.00037 172 4YZ -0.00002 0.00000 -0.00020 0.00004 -0.00013 173 22 O 1S -0.24450 0.96212 -0.00007 -0.00003 -0.00014 174 2S -0.00627 0.02496 0.00001 0.00009 -0.00035 175 2PX 0.00007 -0.00025 -0.00009 0.00008 0.00006 176 2PY 0.00024 -0.00085 0.00000 -0.00004 0.00003 177 2PZ 0.00004 -0.00009 -0.00006 0.00006 0.00002 178 3S -0.00344 0.01274 0.00114 0.00000 0.00351 179 3PX 0.00019 -0.00032 0.00053 -0.00028 -0.00045 180 3PY 0.00000 -0.00039 0.00039 0.00072 -0.00031 181 3PZ 0.00004 -0.00015 0.00039 -0.00014 0.00008 182 4XX 0.00205 -0.00796 -0.00010 -0.00015 -0.00038 183 4YY 0.00201 -0.00806 -0.00050 -0.00004 -0.00038 184 4ZZ 0.00205 -0.00797 -0.00002 -0.00008 -0.00034 185 4XY -0.00001 0.00001 0.00016 -0.00009 -0.00017 186 4XZ -0.00001 -0.00004 -0.00020 -0.00032 -0.00037 187 4YZ 0.00000 0.00002 0.00020 -0.00004 -0.00013 188 23 H 1S 0.00009 0.00015 -0.00018 -0.00007 0.00000 189 2S 0.00007 0.00011 0.00240 0.00015 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 1 1 C 1S -0.01083 0.01294 -0.00068 0.00056 0.70382 2 2S -0.00007 0.00020 -0.00022 0.00022 0.03495 3 2PX -0.00001 -0.00013 -0.00005 0.00008 0.00024 4 2PY -0.00014 0.00008 -0.00007 -0.00004 -0.00013 5 2PZ 0.00012 -0.00017 -0.00011 0.00007 -0.00002 6 3S -0.01046 0.00405 0.00052 -0.00042 -0.00767 7 3PX -0.00392 0.00148 0.00034 -0.00050 -0.00093 8 3PY -0.00110 -0.00035 -0.00003 0.00006 0.00066 9 3PZ -0.00421 0.00141 0.00032 -0.00030 -0.00042 10 4XX 0.00020 -0.00025 -0.00007 0.00004 -0.00673 11 4YY 0.00029 -0.00023 -0.00002 0.00003 -0.00678 12 4ZZ 0.00023 -0.00028 -0.00004 0.00003 -0.00667 13 4XY -0.00009 0.00013 -0.00007 0.00002 -0.00001 14 4XZ 0.00003 -0.00003 0.00005 -0.00004 0.00011 15 4YZ -0.00008 0.00010 0.00000 -0.00005 0.00001 16 2 C 1S 0.01263 0.01118 -0.00068 -0.00056 0.69977 17 2S 0.00010 0.00019 -0.00022 -0.00022 0.03475 18 2PX -0.00001 -0.00013 -0.00005 -0.00008 0.00024 19 2PY -0.00015 -0.00005 0.00007 -0.00004 0.00014 20 2PZ -0.00014 -0.00015 -0.00010 -0.00007 -0.00002 21 3S 0.01095 0.00244 0.00052 0.00042 -0.00757 22 3PX 0.00409 0.00088 0.00034 0.00050 -0.00091 23 3PY -0.00104 0.00051 0.00003 0.00006 -0.00068 24 3PZ 0.00438 0.00077 0.00032 0.00030 -0.00041 25 4XX -0.00024 -0.00021 -0.00007 -0.00004 -0.00670 26 4YY -0.00032 -0.00019 -0.00002 -0.00003 -0.00675 27 4ZZ -0.00027 -0.00024 -0.00004 -0.00003 -0.00663 28 4XY -0.00011 -0.00012 0.00007 0.00002 0.00000 29 4XZ -0.00004 -0.00003 0.00005 0.00004 0.00011 30 4YZ -0.00010 -0.00008 0.00000 -0.00005 -0.00001 31 3 C 1S 0.75269 0.64748 -0.01396 -0.01382 -0.01231 32 2S 0.03902 0.03232 -0.00083 -0.00073 -0.00083 33 2PX 0.00032 0.00009 -0.00001 0.00004 0.00019 34 2PY -0.00053 -0.00007 0.00005 -0.00002 0.00009 35 2PZ 0.00005 -0.00001 -0.00012 0.00008 0.00010 36 3S -0.02296 -0.01085 0.00285 0.00391 0.00249 37 3PX 0.00037 -0.00022 0.00061 0.00047 -0.00092 38 3PY 0.00673 0.00062 -0.00038 -0.00097 -0.00060 39 3PZ -0.00041 -0.00002 0.00167 0.00178 -0.00083 40 4XX -0.00642 -0.00594 -0.00001 0.00007 -0.00002 41 4YY -0.00630 -0.00575 0.00008 0.00004 0.00009 42 4ZZ -0.00646 -0.00587 -0.00013 -0.00010 0.00000 43 4XY 0.00005 0.00009 0.00003 0.00007 -0.00003 44 4XZ 0.00005 0.00016 -0.00004 -0.00002 -0.00008 45 4YZ 0.00003 0.00003 0.00006 0.00003 -0.00001 46 4 C 1S 0.01466 0.01277 0.70141 0.70280 0.00037 47 2S 0.00038 0.00048 0.03527 0.03606 -0.00015 48 2PX 0.00011 0.00003 0.00001 0.00002 0.00010 49 2PY -0.00007 0.00000 0.00003 -0.00003 0.00004 50 2PZ -0.00022 0.00007 -0.00014 -0.00020 0.00004 51 3S 0.00773 0.00220 -0.01067 -0.01973 0.00035 52 3PX -0.00215 -0.00022 -0.00002 0.00000 -0.00037 53 3PY -0.00034 0.00044 -0.00121 0.00268 0.00002 54 3PZ -0.00311 -0.00105 0.00085 0.00192 -0.00019 55 4XX -0.00017 -0.00022 -0.00627 -0.00602 -0.00007 56 4YY -0.00023 -0.00023 -0.00663 -0.00598 -0.00005 57 4ZZ -0.00021 -0.00031 -0.00636 -0.00612 0.00000 58 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 59 4XZ -0.00008 -0.00006 -0.00003 -0.00004 0.00004 60 4YZ 0.00017 0.00015 0.00006 -0.00005 -0.00002 61 5 C 1S -0.01260 0.01482 0.70255 -0.70166 0.00037 62 2S -0.00030 0.00053 0.03533 -0.03600 -0.00015 63 2PX -0.00010 0.00004 0.00001 -0.00002 0.00010 64 2PY -0.00007 0.00001 -0.00003 -0.00003 -0.00004 65 2PZ 0.00023 0.00004 -0.00014 0.00020 0.00004 66 3S -0.00732 0.00333 -0.01070 0.01972 0.00034 67 3PX 0.00210 -0.00054 -0.00002 0.00000 -0.00037 68 3PY -0.00040 -0.00038 0.00120 0.00268 -0.00002 69 3PZ 0.00292 -0.00150 0.00086 -0.00192 -0.00019 70 4XX 0.00014 -0.00024 -0.00628 0.00601 -0.00007 71 4YY 0.00019 -0.00026 -0.00664 0.00597 -0.00005 72 4ZZ 0.00016 -0.00034 -0.00637 0.00611 0.00000 73 4XY 0.00004 -0.00004 0.00000 0.00000 0.00001 74 4XZ 0.00007 -0.00007 -0.00003 0.00004 0.00004 75 4YZ 0.00014 -0.00018 -0.00006 -0.00005 0.00002 76 6 C 1S -0.64781 0.75241 -0.01399 0.01381 -0.01238 77 2S -0.03377 0.03777 -0.00083 0.00073 -0.00084 78 2PX -0.00030 0.00013 -0.00001 -0.00004 0.00019 79 2PY -0.00051 0.00015 -0.00005 -0.00002 -0.00009 80 2PZ -0.00005 0.00000 -0.00012 -0.00008 0.00010 81 3S 0.02108 -0.01415 0.00286 -0.00391 0.00252 82 3PX -0.00039 -0.00016 0.00061 -0.00047 -0.00093 83 3PY 0.00656 -0.00162 0.00038 -0.00097 0.00061 84 3PZ 0.00040 -0.00008 0.00168 -0.00178 -0.00083 85 4XX 0.00547 -0.00683 -0.00001 -0.00007 -0.00002 86 4YY 0.00538 -0.00663 0.00008 -0.00004 0.00009 87 4ZZ 0.00552 -0.00677 -0.00013 0.00010 0.00000 88 4XY 0.00003 -0.00010 -0.00003 0.00007 0.00003 89 4XZ -0.00003 0.00016 -0.00004 0.00002 -0.00008 90 4YZ 0.00003 -0.00004 -0.00006 0.00003 0.00001 91 7 H 1S -0.00007 -0.00007 0.00001 -0.00001 -0.00031 92 2S -0.00111 0.00038 0.00026 -0.00024 0.00135 93 8 H 1S 0.00006 -0.00008 0.00001 0.00001 -0.00031 94 2S 0.00116 0.00021 0.00026 0.00024 0.00134 95 9 H 1S -0.00021 -0.00010 -0.00011 -0.00006 -0.00004 96 2S 0.00038 0.00167 -0.00002 -0.00006 0.00009 97 10 H 1S -0.00013 -0.00009 -0.00010 0.00031 0.00001 98 2S 0.00060 0.00006 0.00220 0.00212 0.00030 99 11 H 1S 0.00012 -0.00010 -0.00010 -0.00031 0.00001 100 2S -0.00059 0.00015 0.00220 -0.00211 0.00031 101 12 H 1S 0.00020 -0.00013 -0.00011 0.00006 -0.00004 102 2S -0.00012 0.00170 -0.00002 0.00006 0.00009 103 13 H 1S 0.00038 -0.00015 -0.00009 -0.00020 -0.00005 104 2S 0.00014 0.00013 0.00178 -0.00177 -0.00014 105 14 H 1S -0.00040 -0.00009 -0.00009 0.00020 -0.00005 106 2S -0.00012 0.00015 0.00177 0.00178 -0.00013 107 15 C 1S 0.00019 -0.00012 0.00002 0.00002 0.00002 108 2S 0.00123 -0.00067 -0.00013 0.00039 -0.00005 109 2PX -0.00019 0.00011 0.00004 -0.00004 0.00015 110 2PY -0.00009 -0.00004 -0.00016 -0.00001 0.00000 111 2PZ 0.00006 -0.00003 -0.00015 0.00021 0.00000 112 3S -0.00903 0.00314 0.00024 -0.00368 -0.00014 113 3PX 0.00087 -0.00059 0.00034 -0.00111 -0.00081 114 3PY -0.00201 -0.00043 0.00049 -0.00201 0.00015 115 3PZ -0.00311 0.00090 0.00081 -0.00242 -0.00039 116 4XX 0.00004 -0.00003 -0.00012 0.00011 -0.00014 117 4YY 0.00024 -0.00018 -0.00008 0.00005 -0.00006 118 4ZZ 0.00023 -0.00018 -0.00008 0.00012 -0.00013 119 4XY 0.00005 0.00006 -0.00002 0.00005 0.00006 120 4XZ 0.00002 -0.00007 0.00005 -0.00009 -0.00008 121 4YZ -0.00004 -0.00005 -0.00006 -0.00004 0.00006 122 16 C 1S -0.00020 -0.00009 0.00002 -0.00002 0.00002 123 2S -0.00131 -0.00048 -0.00013 -0.00039 -0.00005 124 2PX 0.00021 0.00008 0.00004 0.00004 0.00014 125 2PY -0.00008 0.00005 0.00016 -0.00001 0.00000 126 2PZ -0.00006 -0.00002 -0.00015 -0.00021 -0.00001 127 3S 0.00940 0.00176 0.00024 0.00368 -0.00014 128 3PX -0.00094 -0.00045 0.00033 0.00111 -0.00080 129 3PY -0.00193 0.00073 -0.00049 -0.00201 -0.00015 130 3PZ 0.00321 0.00043 0.00080 0.00242 -0.00038 131 4XX -0.00005 -0.00002 -0.00012 -0.00011 -0.00014 132 4YY -0.00026 -0.00014 -0.00008 -0.00005 -0.00006 133 4ZZ -0.00025 -0.00014 -0.00008 -0.00012 -0.00013 134 4XY 0.00004 -0.00007 0.00002 0.00005 -0.00006 135 4XZ -0.00003 -0.00006 0.00005 0.00009 -0.00008 136 4YZ -0.00003 0.00006 0.00006 -0.00004 -0.00006 137 17 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 138 2S 0.00001 0.00018 -0.00003 0.00000 -0.00008 139 2PX -0.00001 -0.00010 0.00002 0.00000 0.00000 140 2PY 0.00012 -0.00001 0.00000 0.00002 0.00000 141 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 142 3S -0.00007 -0.00087 0.00104 0.00000 0.00030 143 3PX 0.00005 0.00065 -0.00041 0.00000 0.00000 144 3PY -0.00024 0.00002 0.00000 -0.00026 0.00000 145 3PZ -0.00001 -0.00018 0.00032 0.00000 -0.00006 146 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 147 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 148 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 149 4XY -0.00005 0.00000 0.00000 0.00003 0.00000 150 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 151 4YZ 0.00004 0.00000 0.00000 0.00002 0.00000 152 18 H 1S -0.00023 -0.00013 0.00008 0.00014 -0.00011 153 2S 0.00037 -0.00031 0.00057 0.00118 -0.00007 154 19 H 1S 0.00001 0.00009 -0.00004 0.00000 0.00001 155 2S 0.00002 0.00031 -0.00076 0.00000 -0.00006 156 20 H 1S 0.00021 -0.00016 0.00008 -0.00014 -0.00011 157 2S -0.00041 -0.00025 0.00058 -0.00118 -0.00007 158 21 O 1S -0.00010 0.00004 0.00006 -0.00003 -0.00004 159 2S -0.00050 0.00018 0.00028 -0.00016 -0.00019 160 2PX 0.00007 -0.00004 -0.00001 -0.00002 0.00000 161 2PY -0.00003 0.00000 0.00002 0.00003 -0.00001 162 2PZ -0.00002 -0.00002 0.00002 0.00001 0.00003 163 3S 0.00302 -0.00097 -0.00149 0.00146 0.00103 164 3PX -0.00127 0.00057 0.00023 -0.00053 -0.00029 165 3PY 0.00049 0.00006 -0.00044 0.00020 0.00015 166 3PZ -0.00019 0.00028 -0.00015 -0.00022 -0.00032 167 4XX -0.00012 0.00003 0.00016 0.00001 -0.00008 168 4YY -0.00030 0.00012 0.00011 -0.00007 -0.00011 169 4ZZ -0.00035 0.00016 0.00019 -0.00006 -0.00009 170 4XY -0.00006 0.00001 0.00004 -0.00004 -0.00004 171 4XZ 0.00002 -0.00002 0.00000 -0.00002 0.00006 172 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 173 22 O 1S 0.00011 0.00002 0.00006 0.00003 -0.00004 174 2S 0.00052 0.00010 0.00028 0.00016 -0.00019 175 2PX -0.00008 -0.00003 -0.00001 0.00002 0.00000 176 2PY -0.00003 0.00000 -0.00002 0.00003 0.00001 177 2PZ 0.00002 -0.00003 0.00002 -0.00001 0.00003 178 3S -0.00313 -0.00051 -0.00149 -0.00146 0.00102 179 3PX 0.00134 0.00038 0.00023 0.00053 -0.00029 180 3PY 0.00047 -0.00013 0.00044 0.00020 -0.00015 181 3PZ 0.00023 0.00024 -0.00015 0.00022 -0.00032 182 4XX 0.00012 0.00002 0.00016 -0.00001 -0.00008 183 4YY 0.00032 0.00008 0.00011 0.00007 -0.00011 184 4ZZ 0.00037 0.00010 0.00019 0.00006 -0.00009 185 4XY -0.00006 0.00000 -0.00004 -0.00004 0.00004 186 4XZ -0.00002 -0.00002 0.00000 0.00002 0.00005 187 4YZ 0.00000 0.00001 0.00001 -0.00004 0.00004 188 23 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 189 2S -0.00002 -0.00026 0.00013 0.00000 -0.00005 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10712 -1.01317 -0.82908 -0.76590 1 1 C 1S -0.70006 -0.00034 -0.00002 -0.09538 0.01854 2 2S -0.03548 0.00232 -0.00271 0.18220 -0.03477 3 2PX -0.00026 0.00108 -0.00075 0.03994 -0.00118 4 2PY -0.00029 0.00042 0.00050 0.02997 -0.00676 5 2PZ -0.00005 0.00015 -0.00009 0.03308 -0.00784 6 3S 0.01696 -0.00444 0.02195 0.11187 -0.03010 7 3PX 0.00239 -0.00291 0.00854 0.00064 -0.00202 8 3PY 0.00338 -0.00016 0.01026 0.00183 -0.00013 9 3PZ 0.00172 -0.00115 0.00564 -0.00174 -0.00222 10 4XX 0.00644 0.00025 -0.00018 -0.00440 0.00179 11 4YY 0.00609 0.00030 -0.00009 0.00298 -0.00056 12 4ZZ 0.00635 0.00041 -0.00045 -0.00337 0.00066 13 4XY 0.00012 0.00008 0.00026 -0.00028 0.00023 14 4XZ -0.00014 -0.00007 0.00015 0.00711 -0.00167 15 4YZ 0.00004 0.00005 0.00006 0.00046 -0.00014 16 2 C 1S 0.70411 -0.00034 0.00002 -0.09538 0.01854 17 2S 0.03568 0.00232 0.00271 0.18220 -0.03476 18 2PX 0.00026 0.00108 0.00075 0.03994 -0.00117 19 2PY -0.00029 -0.00042 0.00050 -0.02998 0.00677 20 2PZ 0.00005 0.00015 0.00009 0.03308 -0.00784 21 3S -0.01700 -0.00444 -0.02195 0.11187 -0.03009 22 3PX -0.00240 -0.00292 -0.00854 0.00063 -0.00202 23 3PY 0.00337 0.00016 0.01026 -0.00183 0.00014 24 3PZ -0.00172 -0.00115 -0.00564 -0.00174 -0.00222 25 4XX -0.00648 0.00025 0.00018 -0.00440 0.00179 26 4YY -0.00613 0.00030 0.00009 0.00298 -0.00056 27 4ZZ -0.00639 0.00041 0.00045 -0.00337 0.00066 28 4XY 0.00012 -0.00008 0.00026 0.00028 -0.00023 29 4XZ 0.00014 -0.00007 -0.00015 0.00711 -0.00167 30 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00014 31 3 C 1S -0.01208 -0.00188 -0.00246 -0.09139 0.01322 32 2S -0.00074 0.00225 0.00017 0.17062 -0.02626 33 2PX 0.00009 0.00154 0.00109 -0.02433 0.01435 34 2PY 0.00010 -0.00063 0.00058 -0.04654 0.00801 35 2PZ 0.00002 -0.00023 -0.00070 0.00318 -0.01051 36 3S 0.00446 0.00686 0.02164 0.13187 -0.01328 37 3PX -0.00093 0.00007 0.00423 -0.00050 0.00160 38 3PY -0.00162 -0.00220 -0.01160 -0.01393 -0.00134 39 3PZ -0.00061 -0.00034 0.00365 0.00078 -0.00607 40 4XX -0.00009 0.00010 -0.00015 -0.00551 0.00153 41 4YY -0.00006 -0.00028 -0.00082 0.00086 -0.00027 42 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 43 4XY -0.00005 -0.00001 -0.00005 0.00343 -0.00112 44 4XZ -0.00016 0.00007 0.00012 0.00599 -0.00192 45 4YZ -0.00006 0.00001 -0.00009 -0.00074 0.00092 46 4 C 1S 0.00027 -0.00166 -0.00115 -0.08158 0.02466 47 2S -0.00014 0.00239 0.00198 0.15286 -0.04711 48 2PX 0.00008 0.00108 0.00111 -0.01408 0.00546 49 2PY -0.00003 0.00017 0.00083 -0.01819 0.00662 50 2PZ 0.00009 -0.00087 -0.00018 -0.03442 0.00014 51 3S -0.00017 -0.00019 -0.00794 0.11365 -0.03489 52 3PX -0.00035 0.00161 0.00279 -0.00242 0.00123 53 3PY -0.00006 -0.00162 -0.00171 -0.00282 0.00327 54 3PZ -0.00005 -0.00105 0.00241 -0.00208 0.00027 55 4XX -0.00005 0.00007 0.00018 -0.00224 0.00040 56 4YY -0.00004 -0.00016 -0.00028 0.00150 -0.00058 57 4ZZ -0.00001 -0.00021 -0.00035 0.00107 0.00072 58 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 59 4XZ 0.00002 -0.00030 -0.00037 0.00194 -0.00065 60 4YZ 0.00001 -0.00008 -0.00004 -0.00015 -0.00012 61 5 C 1S -0.00026 -0.00166 0.00115 -0.08158 0.02466 62 2S 0.00014 0.00239 -0.00198 0.15286 -0.04712 63 2PX -0.00007 0.00108 -0.00111 -0.01408 0.00547 64 2PY -0.00003 -0.00017 0.00083 0.01820 -0.00662 65 2PZ -0.00009 -0.00087 0.00018 -0.03441 0.00014 66 3S 0.00017 -0.00019 0.00794 0.11365 -0.03490 67 3PX 0.00035 0.00161 -0.00280 -0.00242 0.00123 68 3PY -0.00006 0.00162 -0.00171 0.00282 -0.00327 69 3PZ 0.00004 -0.00105 -0.00241 -0.00208 0.00027 70 4XX 0.00005 0.00007 -0.00018 -0.00224 0.00040 71 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 72 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 73 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 74 4XZ -0.00002 -0.00030 0.00037 0.00194 -0.00065 75 4YZ 0.00001 0.00008 -0.00004 0.00015 0.00012 76 6 C 1S 0.01201 -0.00188 0.00246 -0.09139 0.01323 77 2S 0.00074 0.00225 -0.00017 0.17062 -0.02628 78 2PX -0.00009 0.00154 -0.00109 -0.02432 0.01435 79 2PY 0.00010 0.00063 0.00058 0.04654 -0.00801 80 2PZ -0.00002 -0.00023 0.00070 0.00318 -0.01051 81 3S -0.00445 0.00685 -0.02164 0.13186 -0.01331 82 3PX 0.00093 0.00007 -0.00423 -0.00049 0.00160 83 3PY -0.00161 0.00220 -0.01160 0.01393 0.00134 84 3PZ 0.00060 -0.00034 -0.00365 0.00078 -0.00607 85 4XX 0.00009 0.00010 0.00015 -0.00551 0.00153 86 4YY 0.00006 -0.00028 0.00082 0.00086 -0.00027 87 4ZZ 0.00002 -0.00022 0.00068 -0.00068 -0.00068 88 4XY -0.00005 0.00001 -0.00005 -0.00343 0.00112 89 4XZ 0.00016 0.00007 -0.00012 0.00599 -0.00192 90 4YZ -0.00006 -0.00001 -0.00009 0.00074 -0.00092 91 7 H 1S 0.00025 0.00012 0.00004 0.03708 -0.00830 92 2S -0.00074 -0.00043 0.00320 0.00181 -0.00145 93 8 H 1S -0.00025 0.00012 -0.00004 0.03707 -0.00830 94 2S 0.00075 -0.00043 -0.00320 0.00181 -0.00145 95 9 H 1S 0.00001 0.00044 0.00093 0.03736 -0.00454 96 2S 0.00013 0.00104 0.00364 0.00635 0.00024 97 10 H 1S 0.00002 0.00209 0.00253 0.03706 -0.01329 98 2S 0.00033 0.00186 0.00187 0.00201 -0.00618 99 11 H 1S -0.00002 0.00209 -0.00253 0.03706 -0.01329 100 2S -0.00032 0.00186 -0.00187 0.00201 -0.00618 101 12 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00455 102 2S -0.00012 0.00104 -0.00364 0.00635 0.00024 103 13 H 1S 0.00005 0.00050 -0.00061 0.03922 -0.01538 104 2S 0.00007 0.00121 -0.00136 0.00320 -0.00367 105 14 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01538 106 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 107 15 C 1S -0.00001 -0.05622 0.04408 -0.02571 -0.12240 108 2S -0.00003 0.10428 -0.08664 0.05207 0.24580 109 2PX -0.00007 0.05980 -0.06052 -0.01488 0.02203 110 2PY -0.00003 0.00910 0.04362 0.01419 0.06651 111 2PZ -0.00003 0.04383 -0.04454 0.00150 -0.00992 112 3S 0.00084 0.03496 0.00910 0.03217 0.17211 113 3PX 0.00159 -0.00366 0.01822 -0.00320 -0.00226 114 3PY 0.00011 -0.00021 0.01692 0.00195 0.01028 115 3PZ 0.00139 -0.00409 0.02569 -0.00107 -0.00591 116 4XX 0.00011 0.00382 -0.00644 -0.00140 -0.00970 117 4YY 0.00005 -0.00146 0.00861 0.00137 0.00604 118 4ZZ 0.00006 -0.00073 -0.00180 -0.00082 -0.00696 119 4XY 0.00002 -0.00226 0.00613 -0.00011 -0.00065 120 4XZ 0.00007 0.01131 -0.01155 -0.00055 0.00474 121 4YZ -0.00005 -0.00084 0.00359 0.00100 0.00231 122 16 C 1S 0.00001 -0.05621 -0.04408 -0.02571 -0.12240 123 2S 0.00003 0.10427 0.08665 0.05207 0.24580 124 2PX 0.00007 0.05979 0.06053 -0.01488 0.02204 125 2PY -0.00003 -0.00912 0.04361 -0.01419 -0.06651 126 2PZ 0.00003 0.04382 0.04455 0.00150 -0.00993 127 3S -0.00084 0.03496 -0.00910 0.03218 0.17212 128 3PX -0.00159 -0.00366 -0.01821 -0.00320 -0.00226 129 3PY 0.00011 0.00020 0.01692 -0.00195 -0.01028 130 3PZ -0.00139 -0.00408 -0.02569 -0.00107 -0.00591 131 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 132 4YY -0.00005 -0.00146 -0.00861 0.00137 0.00604 133 4ZZ -0.00006 -0.00073 0.00180 -0.00082 -0.00696 134 4XY 0.00002 0.00226 0.00613 0.00011 0.00065 135 4XZ -0.00007 0.01131 0.01155 -0.00055 0.00474 136 4YZ -0.00005 0.00084 0.00358 -0.00099 -0.00231 137 17 C 1S 0.00000 -0.08318 -0.00001 0.01835 0.11737 138 2S 0.00000 0.16013 0.00001 -0.03864 -0.24499 139 2PX 0.00000 -0.06130 0.00000 0.00172 -0.01011 140 2PY -0.00002 0.00000 0.12745 0.00000 0.00000 141 2PZ 0.00000 -0.05988 0.00001 0.00671 -0.00419 142 3S 0.00000 0.02856 0.00000 -0.02225 -0.17825 143 3PX 0.00000 0.00867 0.00000 -0.00494 -0.00892 144 3PY 0.00011 0.00000 0.00620 0.00000 0.00000 145 3PZ 0.00000 0.01225 0.00000 -0.00136 -0.00931 146 4XX 0.00000 -0.00115 0.00000 0.00107 0.00503 147 4YY 0.00000 0.00726 0.00000 -0.00128 -0.00324 148 4ZZ 0.00000 -0.00225 0.00000 0.00059 0.00458 149 4XY 0.00000 0.00000 -0.01755 0.00000 0.00000 150 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 151 4YZ -0.00001 0.00000 -0.01776 0.00000 0.00000 152 18 H 1S -0.00023 0.01252 0.01447 0.01509 0.06814 153 2S -0.00031 -0.00346 -0.00848 0.00255 0.01258 154 19 H 1S 0.00000 0.02534 0.00000 -0.00826 -0.07518 155 2S 0.00000 -0.00229 0.00000 0.00195 -0.01514 156 20 H 1S 0.00023 0.01252 -0.01447 0.01509 0.06814 157 2S 0.00031 -0.00346 0.00848 0.00255 0.01258 158 21 O 1S 0.00006 -0.13126 0.15241 0.00883 0.01419 159 2S 0.00030 0.28414 -0.33478 -0.02049 -0.03361 160 2PX -0.00002 -0.02240 0.03038 -0.02009 -0.12267 161 2PY 0.00000 0.08689 -0.06083 -0.00854 -0.03558 162 2PZ -0.00003 -0.00836 0.01428 -0.01174 -0.10840 163 3S -0.00183 0.28836 -0.35799 -0.02274 -0.03741 164 3PX 0.00052 -0.00923 0.02341 -0.00987 -0.05543 165 3PY -0.00020 0.05298 -0.03672 -0.00479 -0.01554 166 3PZ 0.00040 -0.00215 0.01099 -0.00502 -0.04935 167 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 168 4YY 0.00019 0.00722 0.00050 -0.00136 -0.00582 169 4ZZ 0.00016 -0.00460 0.00387 0.00018 0.00101 170 4XY 0.00004 -0.00045 0.00197 -0.00195 -0.01123 171 4XZ -0.00004 0.00716 -0.00771 0.00022 0.00388 172 4YZ 0.00003 0.00191 -0.00020 -0.00132 -0.01023 173 22 O 1S -0.00006 -0.13124 -0.15243 0.00883 0.01419 174 2S -0.00030 0.28411 0.33480 -0.02049 -0.03361 175 2PX 0.00002 -0.02240 -0.03038 -0.02009 -0.12267 176 2PY 0.00000 -0.08688 -0.06083 0.00854 0.03560 177 2PZ 0.00003 -0.00837 -0.01428 -0.01174 -0.10839 178 3S 0.00184 0.28833 0.35801 -0.02275 -0.03741 179 3PX -0.00052 -0.00923 -0.02341 -0.00987 -0.05543 180 3PY -0.00020 -0.05298 -0.03672 0.00479 0.01555 181 3PZ -0.00040 -0.00215 -0.01100 -0.00501 -0.04934 182 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 183 4YY -0.00019 0.00722 -0.00050 -0.00136 -0.00583 184 4ZZ -0.00016 -0.00460 -0.00387 0.00018 0.00101 185 4XY 0.00004 0.00045 0.00197 0.00195 0.01123 186 4XZ 0.00005 0.00716 0.00772 0.00022 0.00388 187 4YZ 0.00003 -0.00190 -0.00020 0.00132 0.01023 188 23 H 1S 0.00000 0.02455 0.00000 -0.01042 -0.07732 189 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 1 1 C 1S 0.10571 0.06442 0.01275 -0.00730 0.08066 2 2S -0.20539 -0.12808 -0.02555 0.01536 -0.16377 3 2PX -0.00706 -0.04457 0.01059 0.00458 -0.02124 4 2PY -0.05185 0.07807 -0.00821 -0.00965 0.10416 5 2PZ 0.01100 -0.03742 -0.00021 -0.00673 0.00048 6 3S -0.15236 -0.07287 -0.02504 0.00484 -0.12773 7 3PX 0.00248 0.00658 0.00269 -0.00316 0.00806 8 3PY -0.00493 0.02228 -0.00068 -0.00247 0.03748 9 3PZ 0.00882 0.01008 -0.00274 -0.00497 0.01708 10 4XX 0.00670 -0.00004 0.00186 0.00029 0.00146 11 4YY -0.00490 0.00641 -0.00089 -0.00069 0.00748 12 4ZZ 0.00601 -0.00096 0.00004 -0.00053 0.00056 13 4XY -0.00085 0.00408 0.00012 -0.00034 0.00109 14 4XZ -0.00472 -0.00713 -0.00106 0.00002 -0.00613 15 4YZ -0.00176 0.00269 -0.00031 0.00080 -0.00192 16 2 C 1S 0.10571 -0.06443 0.01275 0.00730 -0.08066 17 2S -0.20538 0.12810 -0.02555 -0.01535 0.16378 18 2PX -0.00705 0.04458 0.01059 -0.00458 0.02124 19 2PY 0.05186 0.07805 0.00821 -0.00966 0.10414 20 2PZ 0.01101 0.03743 -0.00021 0.00673 -0.00048 21 3S -0.15236 0.07288 -0.02505 -0.00483 0.12774 22 3PX 0.00248 -0.00657 0.00269 0.00316 -0.00805 23 3PY 0.00493 0.02228 0.00068 -0.00247 0.03748 24 3PZ 0.00882 -0.01008 -0.00274 0.00497 -0.01708 25 4XX 0.00670 0.00004 0.00186 -0.00029 -0.00146 26 4YY -0.00490 -0.00641 -0.00089 0.00069 -0.00748 27 4ZZ 0.00601 0.00096 0.00004 0.00053 -0.00057 28 4XY 0.00085 0.00408 -0.00012 -0.00034 0.00109 29 4XZ -0.00472 0.00713 -0.00107 -0.00002 0.00613 30 4YZ 0.00176 0.00269 0.00031 0.00080 -0.00192 31 3 C 1S 0.00744 -0.12444 -0.00049 -0.00480 -0.02264 32 2S -0.01413 0.24080 0.00018 0.01118 0.04690 33 2PX 0.05827 -0.02711 0.01393 -0.00121 -0.09491 34 2PY 0.01148 -0.00553 -0.00032 -0.00308 -0.00527 35 2PZ 0.09022 0.00673 -0.00711 0.04284 -0.13780 36 3S -0.01427 0.21043 0.00801 0.00039 0.04356 37 3PX 0.00996 -0.00285 -0.00010 -0.00201 -0.02376 38 3PY 0.00625 -0.00250 -0.00512 0.00312 0.00099 39 3PZ 0.01542 -0.00011 -0.00379 0.01694 -0.03504 40 4XX -0.00218 -0.00700 -0.00029 -0.00204 0.00229 41 4YY -0.00061 -0.00073 0.00012 0.00009 0.00081 42 4ZZ 0.00531 -0.00138 -0.00010 0.00214 -0.00682 43 4XY -0.00503 0.00333 -0.00124 -0.00048 0.00396 44 4XZ -0.00164 0.00666 -0.00100 0.00147 0.00268 45 4YZ -0.00739 -0.00133 0.00059 -0.00148 0.00523 46 4 C 1S -0.11131 -0.06711 0.00649 -0.03436 0.09317 47 2S 0.21419 0.13009 -0.01233 0.06902 -0.18928 48 2PX 0.00843 -0.01550 0.00762 -0.00345 -0.01268 49 2PY -0.03641 0.06530 0.00103 0.03480 -0.09506 50 2PZ 0.01722 -0.04147 -0.00619 0.00551 -0.02003 51 3S 0.18757 0.10777 -0.01227 0.06578 -0.17952 52 3PX 0.00518 -0.00525 0.00450 0.00041 -0.00931 53 3PY -0.00547 0.01784 -0.00001 0.00862 -0.03889 54 3PZ 0.00639 -0.00269 -0.00014 0.00280 -0.01637 55 4XX -0.00074 0.00076 0.00011 0.00151 -0.00477 56 4YY 0.00374 -0.00741 -0.00015 -0.00369 0.01016 57 4ZZ -0.00473 0.00513 0.00047 0.00010 0.00048 58 4XY 0.00066 -0.00119 -0.00021 -0.00017 -0.00149 59 4XZ -0.00196 0.00236 -0.00017 -0.00002 0.00246 60 4YZ 0.00143 -0.00346 0.00009 0.00087 -0.00254 61 5 C 1S -0.11130 0.06711 0.00648 0.03436 -0.09317 62 2S 0.21418 -0.13010 -0.01231 -0.06901 0.18929 63 2PX 0.00843 0.01551 0.00761 0.00345 0.01268 64 2PY 0.03641 0.06529 -0.00104 0.03480 -0.09506 65 2PZ 0.01723 0.04148 -0.00619 -0.00550 0.02002 66 3S 0.18756 -0.10778 -0.01225 -0.06577 0.17952 67 3PX 0.00518 0.00525 0.00450 -0.00040 0.00931 68 3PY 0.00547 0.01784 0.00001 0.00862 -0.03889 69 3PZ 0.00639 0.00270 -0.00014 -0.00279 0.01636 70 4XX -0.00074 -0.00076 0.00011 -0.00151 0.00477 71 4YY 0.00374 0.00741 -0.00015 0.00369 -0.01016 72 4ZZ -0.00473 -0.00513 0.00047 -0.00010 -0.00048 73 4XY -0.00066 -0.00119 0.00021 -0.00017 -0.00150 74 4XZ -0.00196 -0.00236 -0.00017 0.00002 -0.00246 75 4YZ -0.00143 -0.00345 -0.00009 0.00087 -0.00255 76 6 C 1S 0.00745 0.12444 -0.00050 0.00481 0.02265 77 2S -0.01415 -0.24080 0.00019 -0.01120 -0.04692 78 2PX 0.05827 0.02710 0.01393 0.00120 0.09491 79 2PY -0.01150 -0.00554 0.00031 -0.00306 -0.00530 80 2PZ 0.09022 -0.00673 -0.00710 -0.04284 0.13780 81 3S -0.01428 -0.21043 0.00801 -0.00041 -0.04357 82 3PX 0.00996 0.00285 -0.00009 0.00201 0.02376 83 3PY -0.00626 -0.00250 0.00511 0.00313 0.00098 84 3PZ 0.01542 0.00011 -0.00379 -0.01693 0.03504 85 4XX -0.00218 0.00700 -0.00029 0.00204 -0.00229 86 4YY -0.00061 0.00073 0.00012 -0.00009 -0.00081 87 4ZZ 0.00531 0.00138 -0.00010 -0.00214 0.00682 88 4XY 0.00503 0.00333 0.00124 -0.00048 0.00396 89 4XZ -0.00164 -0.00666 -0.00099 -0.00147 -0.00268 90 4YZ 0.00739 -0.00133 -0.00059 -0.00148 0.00523 91 7 H 1S -0.06123 -0.03836 -0.01006 0.00879 -0.08123 92 2S -0.01269 -0.00262 -0.00390 0.00345 -0.02734 93 8 H 1S -0.06122 0.03837 -0.01006 -0.00878 0.08124 94 2S -0.01269 0.00262 -0.00390 -0.00345 0.02735 95 9 H 1S -0.00149 0.07839 0.00120 0.00005 0.01614 96 2S -0.00162 0.01907 0.00015 -0.00331 0.00472 97 10 H 1S 0.07058 0.04275 -0.00107 0.03082 -0.09333 98 2S 0.01291 0.00874 -0.00181 0.01475 -0.03178 99 11 H 1S 0.07057 -0.04275 -0.00106 -0.03081 0.09333 100 2S 0.01291 -0.00874 -0.00181 -0.01475 0.03178 101 12 H 1S -0.00150 -0.07838 0.00121 -0.00006 -0.01615 102 2S -0.00162 -0.01907 0.00015 0.00330 -0.00472 103 13 H 1S 0.06842 -0.04374 -0.00806 -0.03308 0.08666 104 2S 0.01612 -0.00723 -0.00284 -0.01303 0.03159 105 14 H 1S 0.06842 0.04374 -0.00807 0.03309 -0.08666 106 2S 0.01612 0.00723 -0.00284 0.01303 -0.03159 107 15 C 1S -0.00474 0.01207 -0.07240 -0.09541 -0.02254 108 2S 0.00927 -0.02325 0.14727 0.19677 0.04509 109 2PX 0.00303 0.01226 -0.08529 0.03097 0.01199 110 2PY 0.00303 0.01516 0.15594 -0.13077 -0.03067 111 2PZ 0.00727 -0.00043 -0.08060 -0.01990 0.00232 112 3S 0.00866 -0.02696 0.12857 0.18873 0.05492 113 3PX 0.00050 0.00446 -0.02246 -0.00191 0.00808 114 3PY -0.00014 -0.00038 0.02897 -0.02718 -0.00270 115 3PZ 0.00264 -0.00236 -0.01968 -0.01220 0.00726 116 4XX -0.00120 0.00037 -0.01419 -0.00289 -0.00136 117 4YY 0.00015 0.00102 0.00714 -0.00733 -0.00180 118 4ZZ 0.00048 0.00010 -0.00463 0.00003 0.00050 119 4XY -0.00019 -0.00103 0.00809 -0.00478 -0.00178 120 4XZ -0.00033 0.00044 -0.00622 0.00762 0.00190 121 4YZ 0.00006 -0.00039 0.00772 0.00423 0.00014 122 16 C 1S -0.00474 -0.01206 -0.07242 0.09540 0.02254 123 2S 0.00927 0.02323 0.14730 -0.19674 -0.04508 124 2PX 0.00303 -0.01227 -0.08528 -0.03099 -0.01199 125 2PY -0.00303 0.01516 -0.15591 -0.13078 -0.03066 126 2PZ 0.00727 0.00044 -0.08063 0.01987 -0.00233 127 3S 0.00866 0.02695 0.12861 -0.18871 -0.05492 128 3PX 0.00050 -0.00446 -0.02246 0.00190 -0.00808 129 3PY 0.00014 -0.00038 -0.02896 -0.02718 -0.00270 130 3PZ 0.00264 0.00237 -0.01969 0.01219 -0.00726 131 4XX -0.00120 -0.00037 -0.01419 0.00289 0.00136 132 4YY 0.00015 -0.00102 0.00714 0.00733 0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 -0.00003 -0.00050 134 4XY 0.00019 -0.00103 -0.00809 -0.00478 -0.00178 135 4XZ -0.00033 -0.00044 -0.00622 -0.00762 -0.00190 136 4YZ -0.00006 -0.00039 -0.00772 0.00424 0.00014 137 17 C 1S 0.00913 -0.00001 -0.12226 -0.00001 0.00000 138 2S -0.01982 0.00002 0.25810 0.00002 0.00000 139 2PX -0.00441 0.00000 0.06487 0.00001 0.00000 140 2PY 0.00000 -0.01881 -0.00003 0.21585 0.06319 141 2PZ 0.00606 0.00000 0.06774 0.00003 0.00001 142 3S -0.01504 0.00001 0.24384 0.00002 0.00000 143 3PX -0.00668 0.00000 0.02135 0.00000 0.00000 144 3PY 0.00000 -0.00189 -0.00001 0.05677 0.01523 145 3PZ -0.00182 0.00000 0.02826 0.00001 0.00000 146 4XX 0.00069 0.00000 0.00235 0.00000 0.00000 147 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 148 4ZZ 0.00029 0.00000 0.00147 0.00000 0.00000 149 4XY 0.00000 0.00129 0.00000 -0.01288 -0.00324 150 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 151 4YZ 0.00000 0.00186 0.00000 -0.01404 -0.00448 152 18 H 1S -0.00059 0.01420 0.05361 -0.11566 -0.02289 153 2S -0.00151 0.00614 0.01636 -0.04773 -0.01078 154 19 H 1S -0.00192 0.00001 0.11588 0.00001 0.00000 155 2S 0.00653 0.00000 0.03556 0.00000 0.00000 156 20 H 1S -0.00059 -0.01420 0.05359 0.11568 0.02289 157 2S -0.00151 -0.00614 0.01636 0.04774 0.01078 158 21 O 1S 0.00234 -0.00715 0.07106 0.02549 0.00813 159 2S -0.00546 0.01658 -0.16573 -0.05883 -0.01853 160 2PX -0.01378 0.01550 0.07321 -0.18529 -0.05837 161 2PY -0.00428 0.00677 0.08874 -0.05650 -0.01761 162 2PZ -0.00318 0.00677 0.06650 -0.16874 -0.04090 163 3S -0.00822 0.02076 -0.22090 -0.08048 -0.03087 164 3PX -0.00676 0.00714 0.02851 -0.08559 -0.02721 165 3PY -0.00336 0.00377 0.04834 -0.02423 -0.00915 166 3PZ -0.00013 0.00252 0.02631 -0.07954 -0.01600 167 4XX 0.00056 -0.00102 -0.00023 0.00599 0.00168 168 4YY -0.00086 0.00046 0.01009 -0.00336 -0.00116 169 4ZZ 0.00012 -0.00029 0.00085 0.00284 0.00068 170 4XY -0.00114 0.00052 0.00147 -0.00716 -0.00216 171 4XZ -0.00032 -0.00003 0.00109 0.00506 0.00057 172 4YZ -0.00038 0.00035 0.00257 -0.00696 -0.00168 173 22 O 1S 0.00234 0.00715 0.07106 -0.02548 -0.00813 174 2S -0.00546 -0.01658 -0.16574 0.05880 0.01853 175 2PX -0.01378 -0.01548 0.07317 0.18529 0.05837 176 2PY 0.00428 0.00676 -0.08874 -0.05654 -0.01762 177 2PZ -0.00318 -0.00675 0.06646 0.16874 0.04089 178 3S -0.00822 -0.02076 -0.22092 0.08044 0.03087 179 3PX -0.00676 -0.00714 0.02850 0.08560 0.02721 180 3PY 0.00336 0.00377 -0.04834 -0.02426 -0.00916 181 3PZ -0.00013 -0.00251 0.02629 0.07954 0.01600 182 4XX 0.00056 0.00102 -0.00023 -0.00599 -0.00168 183 4YY -0.00086 -0.00046 0.01009 0.00336 0.00116 184 4ZZ 0.00012 0.00029 0.00085 -0.00284 -0.00068 185 4XY 0.00114 0.00052 -0.00147 -0.00716 -0.00216 186 4XZ -0.00032 0.00003 0.00109 -0.00506 -0.00057 187 4YZ 0.00038 0.00035 -0.00257 -0.00696 -0.00168 188 23 H 1S -0.00772 0.00001 0.11587 0.00001 0.00000 189 2S 0.00021 0.00000 0.03819 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 1 1 C 1S 0.05700 -0.00370 -0.00458 0.00524 0.06954 2 2S -0.11520 0.00604 0.00981 -0.00986 -0.14349 3 2PX 0.08937 -0.01931 -0.02770 0.11644 0.06288 4 2PY -0.13461 0.00266 -0.00744 0.12251 0.08210 5 2PZ 0.08848 -0.03280 -0.05980 0.14405 0.07088 6 3S -0.10505 0.01672 0.01738 -0.01926 -0.15380 7 3PX 0.02722 -0.00291 -0.00620 0.03702 0.02733 8 3PY -0.02907 -0.00142 -0.00400 0.03502 0.03358 9 3PZ 0.02888 -0.00950 -0.01938 0.04669 0.03176 10 4XX 0.00702 -0.00040 0.00076 0.00090 0.00320 11 4YY -0.00385 0.00038 0.00100 -0.00204 0.00904 12 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 -0.00280 13 4XY -0.00455 0.00015 0.00021 0.00210 -0.00786 14 4XZ 0.00046 -0.00055 -0.00003 -0.00131 -0.00555 15 4YZ -0.00466 0.00026 0.00027 0.00046 -0.00926 16 2 C 1S 0.05700 -0.00370 -0.00457 0.00525 -0.06954 17 2S -0.11519 0.00603 0.00980 -0.00987 0.14349 18 2PX 0.08938 -0.01931 -0.02770 0.11643 -0.06287 19 2PY 0.13459 -0.00265 0.00744 -0.12254 0.08212 20 2PZ 0.08850 -0.03280 -0.05980 0.14403 -0.07086 21 3S -0.10505 0.01672 0.01737 -0.01927 0.15381 22 3PX 0.02721 -0.00291 -0.00620 0.03701 -0.02732 23 3PY 0.02907 0.00142 0.00400 -0.03503 0.03359 24 3PZ 0.02888 -0.00949 -0.01937 0.04668 -0.03176 25 4XX 0.00703 -0.00040 0.00076 0.00090 -0.00320 26 4YY -0.00385 0.00038 0.00101 -0.00204 -0.00904 27 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 0.00280 28 4XY 0.00455 -0.00015 -0.00020 -0.00210 -0.00786 29 4XZ 0.00046 -0.00055 -0.00003 -0.00131 0.00555 30 4YZ 0.00465 -0.00026 -0.00027 -0.00046 -0.00926 31 3 C 1S -0.10221 0.01243 0.00592 0.00758 0.06160 32 2S 0.20674 -0.02605 -0.01128 -0.01798 -0.12767 33 2PX 0.00355 0.00929 0.04270 -0.01430 -0.07388 34 2PY 0.07521 0.01897 0.04312 -0.19957 -0.11923 35 2PZ -0.00523 -0.00864 -0.02145 0.01118 -0.01967 36 3S 0.19342 -0.02642 -0.01502 -0.01838 -0.14638 37 3PX 0.00839 0.00957 0.01713 0.00485 -0.03067 38 3PY 0.03142 0.00914 0.02112 -0.08101 -0.04703 39 3PZ -0.00418 -0.00263 -0.00587 0.01018 -0.00078 40 4XX -0.00818 0.00096 0.00299 0.00020 0.00863 41 4YY 0.00404 -0.00063 0.00065 -0.00238 -0.01114 42 4ZZ -0.00854 0.00206 0.00006 -0.00181 0.00992 43 4XY 0.00041 0.00000 -0.00187 0.00216 0.00004 44 4XZ -0.00002 -0.00128 0.00078 -0.00152 0.00499 45 4YZ -0.00150 -0.00002 0.00103 0.00081 0.00208 46 4 C 1S 0.04252 -0.00808 0.00681 0.00557 -0.04544 47 2S -0.08563 0.01802 -0.01492 -0.01013 0.09134 48 2PX -0.02392 0.00211 0.09664 -0.03187 0.00770 49 2PY 0.07743 -0.00184 0.02337 -0.08418 0.03414 50 2PZ -0.10178 0.03756 0.00532 -0.10169 0.10452 51 3S -0.08413 0.01121 -0.01990 -0.02786 0.12229 52 3PX -0.00900 -0.00468 0.04047 -0.01507 0.00724 53 3PY 0.02420 -0.00042 0.00272 -0.03835 0.00863 54 3PZ -0.03481 0.01451 -0.00659 -0.04013 0.04434 55 4XX -0.00235 0.00083 0.00328 -0.00497 0.00641 56 4YY -0.00228 0.00097 -0.00077 -0.00096 -0.00754 57 4ZZ 0.00761 -0.00105 -0.00188 0.00214 -0.00294 58 4XY -0.00165 0.00026 0.00069 0.00075 0.00126 59 4XZ 0.00378 -0.00097 0.00063 0.00322 -0.00273 60 4YZ -0.00494 0.00010 -0.00095 0.00328 0.00987 61 5 C 1S 0.04252 -0.00808 0.00680 0.00557 0.04544 62 2S -0.08562 0.01802 -0.01491 -0.01013 -0.09134 63 2PX -0.02393 0.00211 0.09664 -0.03187 -0.00772 64 2PY -0.07742 0.00184 -0.02338 0.08420 0.03415 65 2PZ -0.10179 0.03756 0.00533 -0.10167 -0.10452 66 3S -0.08412 0.01121 -0.01989 -0.02785 -0.12229 67 3PX -0.00901 -0.00468 0.04046 -0.01506 -0.00725 68 3PY -0.02419 0.00041 -0.00272 0.03836 0.00864 69 3PZ -0.03482 0.01451 -0.00659 -0.04012 -0.04434 70 4XX -0.00235 0.00083 0.00328 -0.00497 -0.00641 71 4YY -0.00228 0.00097 -0.00078 -0.00095 0.00754 72 4ZZ 0.00761 -0.00105 -0.00188 0.00213 0.00294 73 4XY 0.00165 -0.00026 -0.00069 -0.00075 0.00126 74 4XZ 0.00378 -0.00097 0.00063 0.00322 0.00273 75 4YZ 0.00494 -0.00010 0.00095 -0.00328 0.00987 76 6 C 1S -0.10220 0.01243 0.00593 0.00758 -0.06160 77 2S 0.20674 -0.02605 -0.01129 -0.01799 0.12767 78 2PX 0.00355 0.00928 0.04268 -0.01429 0.07387 79 2PY -0.07521 -0.01897 -0.04311 0.19958 -0.11925 80 2PZ -0.00524 -0.00865 -0.02146 0.01122 0.01966 81 3S 0.19341 -0.02642 -0.01502 -0.01838 0.14638 82 3PX 0.00839 0.00956 0.01712 0.00486 0.03067 83 3PY -0.03143 -0.00913 -0.02111 0.08101 -0.04704 84 3PZ -0.00419 -0.00263 -0.00588 0.01019 0.00077 85 4XX -0.00818 0.00096 0.00299 0.00020 -0.00863 86 4YY 0.00404 -0.00063 0.00064 -0.00238 0.01114 87 4ZZ -0.00854 0.00206 0.00006 -0.00181 -0.00992 88 4XY -0.00041 0.00000 0.00187 -0.00216 0.00005 89 4XZ -0.00002 -0.00128 0.00078 -0.00152 -0.00499 90 4YZ 0.00150 0.00002 -0.00103 -0.00081 0.00209 91 7 H 1S -0.06454 0.01842 0.03457 -0.12049 -0.13843 92 2S -0.02740 0.01177 0.02240 -0.08522 -0.08665 93 8 H 1S -0.06453 0.01842 0.03456 -0.12049 0.13843 94 2S -0.02740 0.01177 0.02240 -0.08522 0.08665 95 9 H 1S 0.11678 0.00023 0.02012 -0.11150 -0.13179 96 2S 0.05092 0.00381 0.01351 -0.06811 -0.08344 97 10 H 1S -0.04247 0.01139 0.05537 -0.04764 0.06777 98 2S -0.01762 0.01371 0.05148 -0.02204 0.03710 99 11 H 1S -0.04246 0.01139 0.05537 -0.04764 -0.06777 100 2S -0.01762 0.01371 0.05149 -0.02204 -0.03710 101 12 H 1S 0.11678 0.00022 0.02012 -0.11151 0.13179 102 2S 0.05092 0.00381 0.01350 -0.06812 0.08344 103 13 H 1S -0.04640 0.01879 -0.03237 -0.04629 -0.08453 104 2S -0.02136 0.00974 -0.01510 -0.03114 -0.05213 105 14 H 1S -0.04640 0.01879 -0.03238 -0.04629 0.08454 106 2S -0.02136 0.00974 -0.01511 -0.03114 0.05214 107 15 C 1S 0.00937 -0.01087 -0.00408 -0.00036 -0.00588 108 2S -0.02082 0.02181 0.00864 0.00108 0.01077 109 2PX -0.02355 -0.04636 -0.05103 -0.03427 -0.05261 110 2PY -0.04755 -0.19535 -0.06018 -0.03875 -0.01147 111 2PZ 0.00371 -0.15380 0.06745 0.01082 -0.03788 112 3S -0.00964 0.04432 0.01531 0.00643 0.01814 113 3PX -0.00747 -0.00762 -0.02766 -0.01433 -0.01824 114 3PY -0.01395 -0.06106 -0.01982 -0.01142 -0.00885 115 3PZ 0.00437 -0.05090 0.03233 0.00446 -0.00578 116 4XX 0.00152 -0.00174 -0.00692 -0.00151 -0.00273 117 4YY -0.00087 0.00133 -0.00001 -0.00014 0.00111 118 4ZZ 0.00115 0.00280 0.00727 0.00239 0.00125 119 4XY -0.00092 -0.00669 -0.00442 -0.00440 0.00558 120 4XZ -0.00110 -0.00280 0.00205 -0.00093 -0.00325 121 4YZ -0.00074 -0.00165 -0.00110 -0.00030 0.00424 122 16 C 1S 0.00938 -0.01088 -0.00409 -0.00036 0.00588 123 2S -0.02084 0.02182 0.00865 0.00109 -0.01076 124 2PX -0.02356 -0.04635 -0.05102 -0.03426 0.05261 125 2PY 0.04754 0.19537 0.06016 0.03875 -0.01148 126 2PZ 0.00372 -0.15376 0.06746 0.01083 0.03786 127 3S -0.00966 0.04433 0.01532 0.00643 -0.01814 128 3PX -0.00747 -0.00762 -0.02766 -0.01433 0.01824 129 3PY 0.01394 0.06107 0.01981 0.01142 -0.00886 130 3PZ 0.00437 -0.05089 0.03234 0.00446 0.00577 131 4XX 0.00152 -0.00174 -0.00691 -0.00151 0.00273 132 4YY -0.00087 0.00133 -0.00001 -0.00014 -0.00111 133 4ZZ 0.00115 0.00281 0.00727 0.00239 -0.00125 134 4XY 0.00091 0.00670 0.00442 0.00441 0.00558 135 4XZ -0.00110 -0.00280 0.00205 -0.00093 0.00326 136 4YZ 0.00074 0.00165 0.00110 0.00030 0.00424 137 17 C 1S -0.00096 -0.01077 -0.00553 0.00027 0.00000 138 2S 0.00285 0.02343 0.00836 -0.00202 0.00000 139 2PX 0.01560 0.22011 -0.14680 -0.00043 -0.00002 140 2PY 0.00001 -0.00001 -0.00002 -0.00001 -0.07077 141 2PZ 0.00731 0.07965 0.30145 0.09955 0.00001 142 3S 0.00473 0.04137 0.02722 0.00853 0.00000 143 3PX 0.00843 0.08450 -0.07295 -0.00355 -0.00001 144 3PY 0.00000 -0.00001 -0.00001 -0.00001 -0.02804 145 3PZ 0.00408 0.01922 0.11947 0.04305 0.00001 146 4XX -0.00055 -0.00015 -0.00213 -0.00084 0.00000 147 4YY 0.00114 -0.00245 -0.00482 -0.00048 0.00000 148 4ZZ -0.00099 -0.00008 0.00615 0.00099 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 150 4XZ -0.00164 -0.01453 -0.00685 -0.00449 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 152 18 H 1S 0.00745 0.12876 0.00464 0.00976 -0.03699 153 2S 0.00579 0.07794 0.00772 0.00249 -0.02722 154 19 H 1S 0.00036 0.03000 0.17195 0.04823 0.00001 155 2S -0.00426 0.02517 0.10561 0.02525 0.00001 156 20 H 1S 0.00746 0.12876 0.00465 0.00977 0.03700 157 2S 0.00580 0.07794 0.00772 0.00249 0.02723 158 21 O 1S -0.00787 -0.02952 -0.00278 -0.01111 0.00413 159 2S 0.01893 0.06741 0.00643 0.02495 -0.00878 160 2PX 0.00460 0.05347 -0.16040 -0.03338 0.06329 161 2PY -0.02737 -0.19859 -0.08012 -0.06942 0.01145 162 2PZ 0.00851 -0.05738 0.12575 0.03153 0.05850 163 3S 0.02410 0.09920 0.00700 0.04173 -0.02135 164 3PX 0.00458 0.03581 -0.08924 -0.01747 0.03352 165 3PY -0.01587 -0.11637 -0.04809 -0.04079 0.00386 166 3PZ 0.00533 -0.02722 0.07612 0.01902 0.02975 167 4XX 0.00143 0.00629 0.00441 0.00253 0.00040 168 4YY -0.00199 -0.01676 -0.00726 -0.00596 0.00109 169 4ZZ 0.00065 0.00841 0.00324 0.00174 0.00074 170 4XY 0.00204 0.01179 -0.00815 -0.00047 0.00280 171 4XZ 0.00007 0.00511 -0.00055 0.00080 0.00002 172 4YZ 0.00149 0.00143 0.01119 0.00382 0.00235 173 22 O 1S -0.00787 -0.02952 -0.00278 -0.01111 -0.00414 174 2S 0.01893 0.06740 0.00643 0.02495 0.00879 175 2PX 0.00463 0.05346 -0.16040 -0.03339 -0.06330 176 2PY 0.02736 0.19860 0.08009 0.06941 0.01147 177 2PZ 0.00854 -0.05736 0.12576 0.03153 -0.05848 178 3S 0.02411 0.09920 0.00699 0.04173 0.02137 179 3PX 0.00459 0.03581 -0.08924 -0.01747 -0.03353 180 3PY 0.01586 0.11637 0.04808 0.04078 0.00387 181 3PZ 0.00535 -0.02721 0.07612 0.01902 -0.02974 182 4XX 0.00143 0.00629 0.00441 0.00253 -0.00040 183 4YY -0.00199 -0.01676 -0.00725 -0.00596 -0.00109 184 4ZZ 0.00065 0.00841 0.00324 0.00174 -0.00074 185 4XY -0.00204 -0.01179 0.00815 0.00047 0.00280 186 4XZ 0.00007 0.00511 -0.00055 0.00080 -0.00002 187 4YZ -0.00149 -0.00143 -0.01119 -0.00382 0.00235 188 23 H 1S 0.00689 0.10830 -0.09041 -0.00873 -0.00001 189 2S 0.00242 0.06407 -0.05008 -0.00282 -0.00001 26 27 28 29 30 O O O O O Eigenvalues -- -0.44670 -0.44356 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.01119 0.00122 -0.00258 0.00504 -0.00673 2 2S 0.02094 -0.00223 0.00790 -0.01054 0.01763 3 2PX -0.01416 0.00933 -0.03104 -0.15433 0.12097 4 2PY -0.01096 0.05725 0.03603 0.19643 0.01491 5 2PZ -0.03529 -0.05806 -0.01673 -0.07679 0.16406 6 3S 0.03567 -0.00523 -0.00333 -0.01434 0.02553 7 3PX 0.00018 0.00838 -0.01600 -0.06153 0.01629 8 3PY 0.00469 0.01738 0.01229 0.07223 0.03693 9 3PZ -0.01227 -0.02817 -0.00603 -0.02508 0.03669 10 4XX 0.00010 0.00217 -0.00089 -0.00437 0.00156 11 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 12 4ZZ -0.00008 -0.00265 0.00011 0.00260 0.00083 13 4XY 0.00198 0.00173 0.00027 0.00082 -0.00671 14 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 15 4YZ 0.00367 0.00011 0.00047 0.00074 -0.01097 16 2 C 1S 0.01119 0.00121 -0.00258 0.00505 0.00673 17 2S -0.02095 -0.00220 0.00790 -0.01055 -0.01763 18 2PX 0.01417 0.00931 -0.03105 -0.15433 -0.12100 19 2PY -0.01100 -0.05723 -0.03602 -0.19640 0.01493 20 2PZ 0.03524 -0.05811 -0.01672 -0.07679 -0.16406 21 3S -0.03567 -0.00518 -0.00334 -0.01435 -0.02553 22 3PX -0.00017 0.00838 -0.01601 -0.06153 -0.01630 23 3PY 0.00468 -0.01738 -0.01228 -0.07222 0.03692 24 3PZ 0.01225 -0.02818 -0.00603 -0.02509 -0.03668 25 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 26 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 27 4ZZ 0.00008 -0.00265 0.00011 0.00260 -0.00083 28 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 29 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 30 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 31 3 C 1S -0.02373 -0.00060 -0.00396 -0.00060 0.02736 32 2S 0.04991 -0.00096 0.00776 0.00099 -0.06302 33 2PX -0.01206 0.10546 0.03929 0.12511 0.10102 34 2PY 0.02918 -0.01637 0.00078 0.03520 0.25433 35 2PZ 0.02248 0.00100 0.04132 0.23685 -0.03102 36 3S 0.05781 0.01173 0.01692 0.01216 -0.09499 37 3PX -0.00312 0.04405 0.01130 0.03647 0.04767 38 3PY 0.00934 -0.01978 -0.00854 0.00709 0.07514 39 3PZ 0.02116 -0.00503 0.01307 0.08431 -0.01004 40 4XX -0.00268 -0.00005 0.00022 -0.00440 -0.00057 41 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 42 4ZZ -0.00431 -0.00111 -0.00159 0.00350 -0.00279 43 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 44 4XZ 0.00067 0.00388 0.00244 -0.00455 0.00024 45 4YZ -0.00093 0.00053 -0.00121 -0.00457 -0.00081 46 4 C 1S 0.01410 -0.00517 -0.00042 0.00002 0.00885 47 2S -0.03009 0.01143 0.00048 0.00170 -0.01671 48 2PX -0.01789 0.22952 0.07272 -0.12343 0.12742 49 2PY -0.01119 -0.01035 0.01418 0.14017 0.01425 50 2PZ -0.04254 -0.10550 -0.07139 -0.15623 0.07843 51 3S -0.04060 0.01708 0.00835 0.00243 -0.05379 52 3PX 0.00231 0.10349 0.03533 -0.05631 0.06030 53 3PY -0.00920 0.00080 0.01007 0.06578 0.03115 54 3PZ -0.02055 -0.04030 -0.02585 -0.07067 0.02683 55 4XX -0.00244 0.00087 -0.00018 -0.00463 0.00344 56 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 57 4ZZ 0.00061 -0.00332 -0.00082 0.00507 -0.00687 58 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 59 4XZ 0.00133 0.00828 0.00353 -0.00200 -0.00166 60 4YZ -0.00352 -0.00012 -0.00057 -0.00273 0.00143 61 5 C 1S -0.01410 -0.00515 -0.00043 0.00002 -0.00885 62 2S 0.03010 0.01139 0.00049 0.00170 0.01672 63 2PX 0.01805 0.22950 0.07273 -0.12343 -0.12742 64 2PY -0.01119 0.01037 -0.01418 -0.14014 0.01427 65 2PZ 0.04248 -0.10555 -0.07137 -0.15625 -0.07846 66 3S 0.04061 0.01703 0.00837 0.00243 0.05380 67 3PX -0.00224 0.10349 0.03533 -0.05631 -0.06030 68 3PY -0.00920 -0.00079 -0.01007 -0.06577 0.03116 69 3PZ 0.02053 -0.04032 -0.02584 -0.07069 -0.02684 70 4XX 0.00244 0.00087 -0.00017 -0.00463 -0.00344 71 4YY -0.00212 0.00102 -0.00009 -0.00205 -0.00505 72 4ZZ -0.00061 -0.00332 -0.00082 0.00507 0.00687 73 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 74 4XZ -0.00133 0.00828 0.00353 -0.00200 0.00167 75 4YZ -0.00352 0.00012 0.00057 0.00272 0.00142 76 6 C 1S 0.02373 -0.00063 -0.00395 -0.00059 -0.02737 77 2S -0.04992 -0.00091 0.00774 0.00099 0.06303 78 2PX 0.01214 0.10546 0.03930 0.12512 -0.10098 79 2PY 0.02919 0.01631 -0.00078 -0.03527 0.25434 80 2PZ -0.02248 0.00102 0.04130 0.23685 0.03110 81 3S -0.05780 0.01179 0.01689 0.01215 0.09500 82 3PX 0.00316 0.04405 0.01130 0.03648 -0.04766 83 3PY 0.00936 0.01976 0.00854 -0.00711 0.07514 84 3PZ -0.02116 -0.00501 0.01306 0.08431 0.01006 85 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 86 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 87 4ZZ 0.00431 -0.00111 -0.00159 0.00350 0.00279 88 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 89 4XZ -0.00067 0.00388 0.00244 -0.00454 -0.00024 90 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 91 7 H 1S 0.03399 0.00330 0.00879 0.01610 -0.11250 92 2S 0.02850 0.00143 0.00537 0.01594 -0.10979 93 8 H 1S -0.03399 0.00334 0.00878 0.01608 0.11251 94 2S -0.02850 0.00146 0.00537 0.01592 0.10980 95 9 H 1S 0.03817 -0.00209 0.00458 0.02004 0.13988 96 2S 0.02416 0.00270 0.00595 0.01915 0.14216 97 10 H 1S -0.03166 0.09959 0.02814 -0.06368 0.08254 98 2S -0.02290 0.06370 0.00944 -0.04919 0.07451 99 11 H 1S 0.03172 0.09956 0.02815 -0.06367 -0.08254 100 2S 0.02294 0.06368 0.00944 -0.04918 -0.07451 101 12 H 1S -0.03817 -0.00204 0.00457 0.02005 -0.13988 102 2S -0.02416 0.00274 0.00594 0.01916 -0.14217 103 13 H 1S 0.02575 -0.12780 -0.05391 0.01218 0.02403 104 2S 0.01201 -0.10030 -0.04355 0.00920 0.01492 105 14 H 1S -0.02583 -0.12777 -0.05393 0.01219 -0.02406 106 2S -0.01207 -0.10029 -0.04355 0.00921 -0.01494 107 15 C 1S -0.04333 0.00850 -0.00359 -0.00432 -0.00571 108 2S 0.08671 -0.02298 0.01072 0.00806 0.00807 109 2PX -0.13362 -0.09430 0.13121 -0.02798 0.01141 110 2PY -0.07237 0.02206 -0.00103 0.01151 -0.00267 111 2PZ -0.20095 -0.03025 0.16383 -0.02589 -0.02550 112 3S 0.13909 -0.00863 0.01259 0.01682 0.04803 113 3PX -0.03564 -0.03414 0.04726 -0.00533 0.00372 114 3PY -0.00526 0.00616 -0.00332 -0.00033 0.01918 115 3PZ -0.05308 -0.00391 0.06050 -0.00699 -0.01613 116 4XX -0.01109 0.00029 0.00658 -0.00395 0.00160 117 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 118 4ZZ 0.00420 0.00121 -0.00649 0.00176 -0.00185 119 4XY 0.01347 0.00068 -0.00450 0.00022 -0.00121 120 4XZ -0.00595 -0.00537 0.00274 -0.00138 -0.00025 121 4YZ 0.02186 0.00206 -0.00451 0.00011 0.00320 122 16 C 1S 0.04334 0.00846 -0.00356 -0.00432 0.00572 123 2S -0.08673 -0.02289 0.01067 0.00807 -0.00807 124 2PX 0.13344 -0.09442 0.13127 -0.02799 -0.01139 125 2PY -0.07243 -0.02199 0.00096 -0.01150 -0.00261 126 2PZ 0.20084 -0.03043 0.16395 -0.02591 0.02547 127 3S -0.13910 -0.00850 0.01251 0.01684 -0.04804 128 3PX 0.03558 -0.03417 0.04728 -0.00533 -0.00372 129 3PY -0.00528 -0.00616 0.00331 0.00032 0.01919 130 3PZ 0.05305 -0.00396 0.06053 -0.00700 0.01612 131 4XX 0.01109 0.00028 0.00659 -0.00395 -0.00160 132 4YY -0.00182 0.00045 -0.00230 0.00138 0.00149 133 4ZZ -0.00419 0.00122 -0.00649 0.00176 0.00185 134 4XY 0.01347 -0.00069 0.00451 -0.00022 -0.00121 135 4XZ 0.00595 -0.00537 0.00275 -0.00138 0.00025 136 4YZ 0.02186 -0.00208 0.00453 -0.00011 0.00320 137 17 C 1S 0.00002 0.01983 -0.02043 -0.00013 0.00000 138 2S -0.00003 -0.04351 0.04013 0.00100 0.00001 139 2PX -0.00008 0.00893 0.29897 -0.03911 -0.00003 140 2PY -0.19149 0.00011 -0.00007 0.00001 -0.00995 141 2PZ -0.00014 -0.19833 0.06930 0.01119 -0.00001 142 3S -0.00004 -0.05136 0.05412 0.00645 0.00001 143 3PX -0.00003 -0.00565 0.10989 -0.00773 -0.00001 144 3PY -0.08925 0.00005 -0.00003 0.00000 0.00177 145 3PZ -0.00006 -0.08657 0.01961 0.01498 0.00000 146 4XX -0.00001 -0.00313 0.02269 -0.00375 0.00000 147 4YY 0.00002 0.01635 -0.02992 0.00468 0.00000 148 4ZZ -0.00001 -0.01230 0.00794 -0.00148 0.00000 149 4XY 0.00392 0.00000 0.00000 0.00000 -0.00211 150 4XZ 0.00000 0.00182 -0.00457 -0.00025 0.00000 151 4YZ 0.00850 0.00000 0.00000 0.00000 0.00432 152 18 H 1S -0.18974 0.01004 -0.08959 0.01443 -0.01384 153 2S -0.14819 0.01116 -0.07282 0.00771 -0.00329 154 19 H 1S -0.00008 -0.12924 0.03839 0.00243 0.00000 155 2S -0.00005 -0.07777 0.03203 -0.01649 0.00000 156 20 H 1S 0.18980 0.00987 -0.08949 0.01441 0.01387 157 2S 0.14824 0.01103 -0.07273 0.00770 0.00332 158 21 O 1S 0.01678 -0.01265 0.02334 -0.00419 -0.00045 159 2S -0.03651 0.02827 -0.05161 0.00896 0.00283 160 2PX 0.20213 0.12855 -0.15392 0.02096 0.04583 161 2PY 0.02964 -0.00074 -0.02244 -0.01391 0.02112 162 2PZ 0.12172 0.05241 -0.18955 0.04667 -0.05294 163 3S -0.08730 0.04944 -0.10471 0.01781 -0.00127 164 3PX 0.10912 0.07162 -0.08070 0.01166 0.03273 165 3PY 0.00785 -0.00894 -0.00849 -0.00962 0.01283 166 3PZ 0.05878 0.02966 -0.10563 0.03037 -0.03687 167 4XX -0.00009 -0.00066 0.00830 -0.00066 -0.00101 168 4YY 0.00227 -0.00029 -0.00208 -0.00071 0.00157 169 4ZZ 0.00538 -0.00301 0.00039 -0.00006 0.00122 170 4XY 0.00859 0.00644 -0.00494 0.00084 0.00145 171 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 172 4YZ 0.00511 0.00044 -0.00948 0.00241 -0.00199 173 22 O 1S -0.01681 -0.01264 0.02332 -0.00419 0.00046 174 2S 0.03656 0.02824 -0.05159 0.00895 -0.00285 175 2PX -0.20192 0.12874 -0.15405 0.02097 -0.04583 176 2PY 0.02965 0.00069 0.02251 0.01389 0.02105 177 2PZ -0.12155 0.05252 -0.18960 0.04668 0.05293 178 3S 0.08741 0.04936 -0.10465 0.01780 0.00122 179 3PX -0.10900 0.07171 -0.08077 0.01167 -0.03273 180 3PY 0.00786 0.00892 0.00852 0.00961 0.01279 181 3PZ -0.05869 0.02971 -0.10565 0.03037 0.03686 182 4XX 0.00008 -0.00066 0.00830 -0.00066 0.00101 183 4YY -0.00227 -0.00028 -0.00209 -0.00071 -0.00156 184 4ZZ -0.00539 -0.00300 0.00039 -0.00006 -0.00122 185 4XY 0.00858 -0.00644 0.00494 -0.00084 0.00145 186 4XZ -0.00200 -0.00354 0.00343 -0.00036 -0.00144 187 4YZ 0.00510 -0.00044 0.00949 -0.00241 -0.00199 188 23 H 1S -0.00005 -0.00140 0.19582 -0.02667 -0.00001 189 2S -0.00004 0.00863 0.14788 -0.02502 -0.00001 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 1 1 C 1S -0.00999 0.01764 -0.01083 0.00562 -0.00511 2 2S 0.02443 -0.04016 0.02196 -0.00834 0.01107 3 2PX 0.02174 -0.07887 0.05002 -0.02590 -0.06472 4 2PY 0.11437 -0.19126 0.00069 0.00047 -0.08216 5 2PZ 0.06209 -0.09336 0.01745 -0.01618 0.08545 6 3S 0.01834 -0.06649 0.07770 -0.05446 0.01057 7 3PX 0.00345 -0.03125 0.03150 -0.02532 -0.03995 8 3PY 0.03863 -0.05038 0.01267 -0.00305 -0.03214 9 3PZ 0.02361 -0.02975 0.01975 -0.01900 0.04540 10 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 11 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 12 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 13 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 14 4XZ -0.00264 0.00609 0.00205 -0.00113 0.00290 15 4YZ -0.00076 0.00278 0.00017 0.00079 0.00156 16 2 C 1S -0.00999 0.01763 0.01083 -0.00562 -0.00511 17 2S 0.02443 -0.04016 -0.02195 0.00833 0.01108 18 2PX 0.02175 -0.07884 -0.05002 0.02592 -0.06471 19 2PY -0.11438 0.19128 0.00070 0.00043 0.08215 20 2PZ 0.06211 -0.09331 -0.01743 0.01614 0.08548 21 3S 0.01835 -0.06649 -0.07769 0.05446 0.01060 22 3PX 0.00346 -0.03125 -0.03150 0.02533 -0.03994 23 3PY -0.03865 0.05038 0.01267 -0.00306 0.03214 24 3PZ 0.02362 -0.02973 -0.01973 0.01898 0.04542 25 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 26 4YY 0.00326 -0.00571 0.00484 -0.00223 -0.00106 27 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 28 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 29 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 30 4YZ 0.00077 -0.00278 0.00017 0.00079 -0.00156 31 3 C 1S -0.00339 -0.00256 0.00623 -0.00441 -0.00778 32 2S 0.00582 0.00656 -0.01854 0.01273 0.01954 33 2PX -0.00252 0.01298 -0.05241 0.01315 -0.09601 34 2PY 0.01288 -0.05041 0.13678 -0.05862 -0.02134 35 2PZ 0.01550 0.03911 0.03084 -0.01262 0.06731 36 3S 0.01606 0.01082 0.01225 -0.01658 0.01465 37 3PX -0.00159 -0.01052 -0.05384 0.02950 -0.05667 38 3PY 0.00481 -0.00966 0.01683 -0.00960 -0.00986 39 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 40 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 41 4YY 0.00196 -0.00346 0.00662 -0.00265 -0.00411 42 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 43 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 44 4XZ 0.00133 0.00138 -0.00402 0.00234 0.00624 45 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 46 4 C 1S 0.00305 -0.02069 0.00249 -0.00130 -0.00272 47 2S -0.00755 0.04516 0.00034 0.00385 0.00793 48 2PX 0.08121 -0.04521 -0.15607 0.08138 0.08073 49 2PY 0.07395 -0.21890 0.01047 -0.00258 0.04214 50 2PZ 0.00722 -0.16431 0.09243 -0.04259 -0.06561 51 3S -0.00371 0.08486 -0.04623 -0.00040 -0.00103 52 3PX 0.03274 -0.01863 -0.06145 0.02239 0.03267 53 3PY 0.03467 -0.09033 0.04180 -0.01344 0.01868 54 3PZ 0.01609 -0.08315 0.06035 -0.02682 -0.02494 55 4XX 0.00434 -0.01049 -0.00122 0.00088 0.00329 56 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 57 4ZZ -0.00110 -0.00220 0.00011 -0.00014 -0.00285 58 4XY 0.00072 -0.00052 -0.01122 0.00584 0.00004 59 4XZ 0.00447 0.00227 -0.00668 0.00432 0.00978 60 4YZ -0.00023 -0.00022 0.00379 -0.00185 -0.00002 61 5 C 1S 0.00306 -0.02069 -0.00249 0.00130 -0.00272 62 2S -0.00755 0.04516 -0.00035 -0.00385 0.00793 63 2PX 0.08124 -0.04516 0.15608 -0.08141 0.08070 64 2PY -0.07396 0.21893 0.01043 -0.00255 -0.04213 65 2PZ 0.00722 -0.16428 -0.09243 0.04262 -0.06558 66 3S -0.00373 0.08486 0.04622 0.00040 -0.00102 67 3PX 0.03276 -0.01861 0.06146 -0.02240 0.03267 68 3PY -0.03468 0.09034 0.04179 -0.01344 -0.01868 69 3PZ 0.01609 -0.08314 -0.06035 0.02683 -0.02492 70 4XX 0.00435 -0.01048 0.00122 -0.00088 0.00329 71 4YY -0.00171 0.00682 -0.00236 0.00078 -0.00059 72 4ZZ -0.00110 -0.00220 -0.00011 0.00014 -0.00285 73 4XY -0.00073 0.00052 -0.01122 0.00584 -0.00004 74 4XZ 0.00447 0.00227 0.00668 -0.00432 0.00978 75 4YZ 0.00023 0.00023 0.00379 -0.00185 0.00002 76 6 C 1S -0.00338 -0.00256 -0.00622 0.00442 -0.00778 77 2S 0.00581 0.00655 0.01853 -0.01274 0.01953 78 2PX -0.00249 0.01300 0.05240 -0.01311 -0.09599 79 2PY -0.01292 0.05038 0.13677 -0.05863 0.02132 80 2PZ 0.01549 0.03911 -0.03081 0.01259 0.06729 81 3S 0.01606 0.01081 -0.01226 0.01658 0.01465 82 3PX -0.00157 -0.01051 0.05384 -0.02948 -0.05668 83 3PY -0.00481 0.00966 0.01682 -0.00960 0.00986 84 3PZ 0.00693 -0.01470 -0.01455 0.00024 0.04225 85 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 86 4YY 0.00197 -0.00347 -0.00662 0.00265 -0.00411 87 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 88 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 89 4XZ 0.00133 0.00138 0.00402 -0.00234 0.00624 90 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00249 91 7 H 1S -0.06113 0.11469 -0.01199 0.01067 0.01680 92 2S -0.05780 0.11960 -0.00971 0.00876 0.01665 93 8 H 1S -0.06116 0.11467 0.01198 -0.01067 0.01679 94 2S -0.05783 0.11958 0.00971 -0.00876 0.01664 95 9 H 1S 0.01386 -0.03209 0.07865 -0.03231 -0.02010 96 2S 0.01010 -0.03591 0.08718 -0.02901 -0.02222 97 10 H 1S 0.06089 -0.08551 -0.08476 0.04647 0.05430 98 2S 0.04166 -0.08607 -0.09771 0.06858 0.05672 99 11 H 1S 0.06091 -0.08548 0.08479 -0.04650 0.05429 100 2S 0.04167 -0.08604 0.09774 -0.06861 0.05670 101 12 H 1S 0.01389 -0.03208 -0.07864 0.03232 -0.02009 102 2S 0.01013 -0.03590 -0.08718 0.02902 -0.02221 103 13 H 1S -0.02005 -0.07975 -0.11103 0.05649 -0.05822 104 2S -0.02533 -0.07537 -0.09573 0.05362 -0.06182 105 14 H 1S -0.02004 -0.07973 0.11104 -0.05647 -0.05825 106 2S -0.02532 -0.07535 0.09573 -0.05359 -0.06185 107 15 C 1S 0.01689 0.00694 -0.01727 -0.03095 -0.00029 108 2S -0.03768 -0.01690 0.03514 0.07036 0.00355 109 2PX 0.11956 0.02819 -0.05563 0.07430 0.12394 110 2PY -0.23107 -0.11829 -0.00834 0.00353 0.18253 111 2PZ -0.09960 -0.03294 0.08244 0.04476 -0.12763 112 3S -0.05885 -0.02341 0.07137 0.10617 0.00163 113 3PX 0.05942 0.01764 -0.05558 -0.00861 0.08672 114 3PY -0.05968 -0.02881 0.01928 0.05220 0.05865 115 3PZ -0.04601 -0.00578 0.03758 -0.01247 -0.08088 116 4XX 0.01016 0.00359 -0.00612 0.00543 0.00040 117 4YY -0.00909 -0.00439 -0.00394 -0.01151 0.00544 118 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 119 4XY 0.00674 0.00170 0.00605 0.00330 0.00188 120 4XZ 0.00732 0.00269 0.00250 0.00900 -0.00648 121 4YZ 0.00406 0.00261 -0.00412 0.00351 -0.00620 122 16 C 1S 0.01689 0.00694 0.01727 0.03095 -0.00027 123 2S -0.03769 -0.01690 -0.03513 -0.07035 0.00351 124 2PX 0.11956 0.02819 0.05563 -0.07437 0.12391 125 2PY 0.23109 0.11829 -0.00837 0.00358 -0.18250 126 2PZ -0.09957 -0.03293 -0.08244 -0.04471 -0.12767 127 3S -0.05887 -0.02341 -0.07137 -0.10617 0.00158 128 3PX 0.05942 0.01764 0.05558 0.00857 0.08673 129 3PY 0.05969 0.02881 0.01927 0.05221 -0.05863 130 3PZ -0.04601 -0.00578 -0.03758 0.01250 -0.08088 131 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 132 4YY -0.00909 -0.00439 0.00395 0.01151 0.00544 133 4ZZ 0.00694 0.00473 -0.00789 -0.00274 -0.00897 134 4XY -0.00674 -0.00170 0.00605 0.00330 -0.00188 135 4XZ 0.00732 0.00269 -0.00250 -0.00900 -0.00648 136 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 137 17 C 1S -0.03129 -0.01592 0.00000 0.00000 0.02087 138 2S 0.07639 0.03963 -0.00001 0.00000 -0.05255 139 2PX -0.15454 -0.07162 0.00002 0.00001 -0.06502 140 2PY -0.00001 -0.00001 -0.06905 -0.17978 -0.00004 141 2PZ -0.01796 0.00017 0.00000 -0.00004 0.17947 142 3S 0.08255 0.04561 -0.00001 0.00000 -0.06791 143 3PX -0.06705 -0.03035 0.00001 0.00000 -0.00653 144 3PY 0.00000 0.00000 -0.02100 -0.00553 0.00000 145 3PZ -0.02674 0.00026 0.00000 -0.00001 0.04819 146 4XX -0.00402 -0.00157 0.00000 0.00000 -0.01842 147 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 148 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 149 4XY 0.00000 0.00000 0.01650 0.01812 0.00000 150 4XZ 0.00786 0.00305 0.00000 0.00000 -0.00389 151 4YZ 0.00000 0.00000 -0.00763 0.01713 0.00000 152 18 H 1S 0.10331 0.05196 0.00691 -0.00524 -0.04080 153 2S 0.09580 0.05554 0.01352 0.00962 -0.05591 154 19 H 1S 0.05620 0.02391 0.00000 -0.00002 0.12003 155 2S 0.05454 0.01113 0.00000 -0.00003 0.15192 156 20 H 1S 0.10330 0.05196 -0.00692 0.00525 -0.04081 157 2S 0.09581 0.05554 -0.01353 -0.00961 -0.05593 158 21 O 1S 0.03752 0.01425 0.01756 0.03613 -0.01840 159 2S -0.07463 -0.02608 -0.03956 -0.07274 0.03593 160 2PX -0.04362 -0.02393 -0.17528 -0.06748 0.13858 161 2PY 0.20894 0.08343 0.09688 0.41183 -0.10599 162 2PZ -0.11687 -0.03178 0.20963 -0.03329 -0.09794 163 3S -0.17863 -0.07433 -0.06328 -0.13351 0.08447 164 3PX -0.02996 -0.01449 -0.12777 -0.04959 0.09595 165 3PY 0.12846 0.05037 0.06170 0.27492 -0.06917 166 3PZ -0.07701 -0.02162 0.13960 -0.02380 -0.06032 167 4XX -0.00403 -0.00041 0.00513 -0.00060 -0.01004 168 4YY 0.01542 0.00641 0.00347 0.02029 -0.00698 169 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 170 4XY -0.00010 0.00003 -0.00860 -0.00813 0.00210 171 4XZ 0.00067 0.00041 -0.00242 0.00199 0.00135 172 4YZ -0.00249 0.00081 0.00771 -0.00316 -0.00640 173 22 O 1S 0.03751 0.01425 -0.01757 -0.03613 -0.01841 174 2S -0.07462 -0.02607 0.03957 0.07274 0.03595 175 2PX -0.04362 -0.02391 0.17528 0.06746 0.13856 176 2PY -0.20887 -0.08340 0.09694 0.41181 0.10614 177 2PZ -0.11691 -0.03182 -0.20960 0.03340 -0.09787 178 3S -0.17860 -0.07431 0.06331 0.13351 0.08451 179 3PX -0.02996 -0.01448 0.12777 0.04958 0.09593 180 3PY -0.12842 -0.05035 0.06174 0.27491 0.06928 181 3PZ -0.07704 -0.02165 -0.13958 0.02387 -0.06027 182 4XX -0.00403 -0.00041 -0.00513 0.00060 -0.01004 183 4YY 0.01542 0.00641 -0.00348 -0.02029 -0.00699 184 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 185 4XY 0.00010 -0.00003 -0.00860 -0.00813 -0.00210 186 4XZ 0.00067 0.00041 0.00242 -0.00199 0.00135 187 4YZ 0.00249 -0.00081 0.00771 -0.00316 0.00640 188 23 H 1S -0.05868 -0.02636 0.00001 0.00002 -0.10324 189 2S -0.06681 -0.02976 0.00001 0.00002 -0.09888 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 1 1 C 1S -0.00476 -0.00272 -0.00196 -0.01120 -0.00590 2 2S 0.00546 0.01588 0.00792 0.02347 0.01965 3 2PX -0.04979 0.14859 0.00092 -0.19346 -0.11976 4 2PY 0.00450 -0.01671 0.21058 0.00889 -0.02879 5 2PZ -0.05522 0.12132 -0.02495 0.20515 0.15121 6 3S 0.04961 -0.07021 -0.00324 0.05551 -0.04889 7 3PX -0.00350 0.02663 -0.00317 -0.12751 -0.12091 8 3PY 0.02034 -0.04057 0.07791 -0.00528 -0.07360 9 3PZ -0.00506 0.00323 -0.02230 0.13573 0.09147 10 4XX 0.00023 0.00152 -0.00351 -0.00665 -0.01018 11 4YY -0.00207 0.00041 0.00856 0.00363 0.00345 12 4ZZ 0.00242 -0.00732 -0.00764 0.00066 0.00536 13 4XY 0.00500 -0.01190 -0.00292 -0.00789 0.00667 14 4XZ 0.00311 -0.00451 -0.00649 -0.00105 -0.00072 15 4YZ 0.00529 -0.00993 -0.00311 0.00356 -0.01174 16 2 C 1S 0.00476 0.00272 -0.00196 -0.01120 0.00591 17 2S -0.00546 -0.01589 0.00791 0.02347 -0.01967 18 2PX 0.04983 -0.14860 0.00084 -0.19343 0.11954 19 2PY 0.00444 -0.01663 -0.21058 -0.00890 -0.02875 20 2PZ 0.05518 -0.12132 -0.02502 0.20517 -0.15106 21 3S -0.04961 0.07021 -0.00323 0.05554 0.04885 22 3PX 0.00353 -0.02663 -0.00319 -0.12749 0.12072 23 3PY 0.02033 -0.04055 -0.07792 0.00526 -0.07359 24 3PZ 0.00504 -0.00323 -0.02232 0.13574 -0.09137 25 4XX -0.00022 -0.00152 -0.00351 -0.00665 0.01019 26 4YY 0.00207 -0.00040 0.00856 0.00362 -0.00345 27 4ZZ -0.00242 0.00732 -0.00764 0.00066 -0.00537 28 4XY 0.00501 -0.01190 0.00292 0.00789 0.00667 29 4XZ -0.00311 0.00451 -0.00649 -0.00104 0.00071 30 4YZ 0.00529 -0.00993 0.00311 -0.00356 -0.01174 31 3 C 1S 0.01044 0.00118 0.00072 0.01248 -0.01316 32 2S -0.02698 0.00313 -0.00764 -0.02322 0.02809 33 2PX -0.08852 0.10028 0.06200 -0.12501 0.25645 34 2PY 0.05360 -0.02354 0.18181 0.07743 -0.08083 35 2PZ -0.10164 0.23184 -0.05575 0.04043 -0.15997 36 3S -0.02200 -0.05077 0.02050 -0.06292 0.04149 37 3PX -0.04266 0.04288 0.02755 -0.07268 0.19395 38 3PY 0.01137 0.02969 0.04897 0.05955 -0.02275 39 3PZ -0.03859 0.09633 -0.02301 0.03568 -0.14704 40 4XX 0.00064 -0.00142 -0.00777 0.01107 -0.00722 41 4YY 0.00225 -0.00268 0.02072 0.00379 -0.00184 42 4ZZ -0.00156 0.00579 -0.00930 -0.01078 0.00812 43 4XY 0.00278 -0.00456 0.00177 0.00378 -0.00203 44 4XZ -0.00614 -0.00381 -0.00469 -0.00194 -0.00293 45 4YZ 0.00326 -0.00689 -0.00267 -0.00447 0.00138 46 4 C 1S 0.00999 -0.00303 -0.00649 0.00205 -0.00751 47 2S -0.02397 0.00985 0.01911 -0.00733 0.00931 48 2PX -0.14195 -0.16961 -0.00757 0.05499 -0.07889 49 2PY -0.01372 0.01045 -0.27372 -0.09272 -0.01320 50 2PZ 0.17307 -0.18144 0.03433 0.01723 0.03515 51 3S -0.05244 0.02788 0.00794 -0.01558 0.09904 52 3PX -0.07499 -0.08637 -0.00321 0.01731 -0.04012 53 3PY -0.01213 -0.00212 -0.13289 -0.06112 -0.01255 54 3PZ 0.06062 -0.11419 0.03281 -0.01015 0.01891 55 4XX 0.00130 -0.00941 -0.00760 0.00246 -0.00619 56 4YY 0.00038 0.00084 0.01219 0.00278 -0.00399 57 4ZZ 0.00065 0.00559 -0.00679 -0.00717 0.00914 58 4XY -0.00982 -0.01124 -0.00067 -0.00033 -0.00312 59 4XZ -0.00982 -0.00252 -0.00308 0.00570 -0.01277 60 4YZ 0.01005 -0.01133 -0.00382 -0.00204 0.00325 61 5 C 1S -0.00999 0.00303 -0.00649 0.00204 0.00753 62 2S 0.02397 -0.00986 0.01910 -0.00732 -0.00935 63 2PX 0.14193 0.16961 -0.00752 0.05500 0.07890 64 2PY -0.01366 0.01033 0.27372 0.09271 -0.01322 65 2PZ -0.17306 0.18143 0.03445 0.01722 -0.03509 66 3S 0.05245 -0.02789 0.00792 -0.01559 -0.09910 67 3PX 0.07498 0.08638 -0.00319 0.01732 0.04014 68 3PY -0.01211 -0.00218 0.13289 0.06111 -0.01255 69 3PZ -0.06062 0.11418 0.03287 -0.01014 -0.01886 70 4XX -0.00130 0.00941 -0.00760 0.00246 0.00619 71 4YY -0.00038 -0.00084 0.01218 0.00278 0.00399 72 4ZZ -0.00065 -0.00559 -0.00679 -0.00717 -0.00914 73 4XY -0.00982 -0.01124 0.00067 0.00033 -0.00312 74 4XZ 0.00982 0.00252 -0.00308 0.00570 0.01276 75 4YZ 0.01005 -0.01133 0.00382 0.00204 0.00325 76 6 C 1S -0.01044 -0.00118 0.00072 0.01248 0.01316 77 2S 0.02697 -0.00313 -0.00765 -0.02321 -0.02811 78 2PX 0.08857 -0.10029 0.06194 -0.12501 -0.25641 79 2PY 0.05355 -0.02344 -0.18181 -0.07743 -0.08082 80 2PZ 0.10160 -0.23183 -0.05587 0.04045 0.15992 81 3S 0.02199 0.05076 0.02049 -0.06289 -0.04140 82 3PX 0.04268 -0.04288 0.02753 -0.07268 -0.19394 83 3PY 0.01136 0.02973 -0.04896 -0.05954 -0.02271 84 3PZ 0.03857 -0.09632 -0.02305 0.03569 0.14698 85 4XX -0.00064 0.00142 -0.00777 0.01107 0.00724 86 4YY -0.00225 0.00267 0.02072 0.00379 0.00184 87 4ZZ 0.00156 -0.00579 -0.00930 -0.01078 -0.00813 88 4XY 0.00277 -0.00456 -0.00177 -0.00378 -0.00203 89 4XZ 0.00614 0.00381 -0.00469 -0.00194 0.00293 90 4YZ 0.00326 -0.00689 0.00267 0.00447 0.00138 91 7 H 1S 0.05620 -0.12074 -0.06931 -0.02890 -0.02585 92 2S 0.06632 -0.15115 -0.08114 -0.03230 -0.05062 93 8 H 1S -0.05621 0.12076 -0.06926 -0.02892 0.02585 94 2S -0.06633 0.15117 -0.08108 -0.03232 0.05063 95 9 H 1S 0.02693 -0.02564 0.15224 0.03721 -0.02190 96 2S 0.04165 -0.03574 0.16878 0.04307 -0.05195 97 10 H 1S -0.06160 -0.13916 -0.06452 0.01830 -0.06721 98 2S -0.01796 -0.12495 -0.06742 0.04702 -0.11833 99 11 H 1S 0.06160 0.13917 -0.06449 0.01831 0.06722 100 2S 0.01795 0.12496 -0.06738 0.04702 0.11831 101 12 H 1S -0.02691 0.02560 0.15224 0.03722 0.02188 102 2S -0.04162 0.03570 0.16879 0.04308 0.05193 103 13 H 1S -0.14065 0.00345 -0.03760 -0.04876 -0.08656 104 2S -0.14965 -0.00221 -0.04294 -0.04232 -0.10178 105 14 H 1S 0.14065 -0.00342 -0.03762 -0.04874 0.08659 106 2S 0.14965 0.00224 -0.04296 -0.04230 0.10184 107 15 C 1S 0.00396 0.00532 0.00345 -0.01309 -0.00048 108 2S -0.01443 -0.00845 -0.00539 0.03295 0.00363 109 2PX 0.06827 0.04146 0.04076 -0.03638 0.07518 110 2PY 0.02133 0.01537 0.07049 -0.02276 -0.01357 111 2PZ -0.03286 -0.00480 -0.01752 -0.00904 -0.10129 112 3S 0.03882 -0.03297 -0.01007 0.03753 0.00186 113 3PX 0.06161 0.01578 0.02909 -0.01482 0.08044 114 3PY 0.04194 0.00387 0.02062 -0.01828 0.01799 115 3PZ -0.00483 -0.02484 -0.01762 0.00806 -0.07054 116 4XX 0.01180 0.00670 0.00323 -0.01368 -0.00966 117 4YY -0.00249 -0.00149 0.00236 0.00225 0.00210 118 4ZZ -0.00724 -0.00410 -0.00537 0.00947 0.00514 119 4XY -0.00319 -0.00175 0.00108 0.00084 -0.00517 120 4XZ -0.00162 0.00018 -0.00258 0.00409 0.00505 121 4YZ 0.00352 0.00072 -0.00251 0.00145 0.00742 122 16 C 1S -0.00396 -0.00532 0.00345 -0.01309 0.00045 123 2S 0.01443 0.00845 -0.00539 0.03295 -0.00359 124 2PX -0.06827 -0.04148 0.04077 -0.03638 -0.07548 125 2PY 0.02130 0.01541 -0.07049 0.02276 -0.01346 126 2PZ 0.03287 0.00481 -0.01753 -0.00904 0.10152 127 3S -0.03881 0.03298 -0.01008 0.03755 -0.00169 128 3PX -0.06161 -0.01580 0.02910 -0.01482 -0.08062 129 3PY 0.04194 0.00388 -0.02062 0.01827 0.01809 130 3PZ 0.00484 0.02485 -0.01762 0.00807 0.07071 131 4XX -0.01180 -0.00670 0.00324 -0.01368 0.00968 132 4YY 0.00249 0.00148 0.00236 0.00225 -0.00210 133 4ZZ 0.00724 0.00410 -0.00537 0.00947 -0.00515 134 4XY -0.00319 -0.00175 -0.00108 -0.00084 -0.00516 135 4XZ 0.00162 -0.00018 -0.00258 0.00409 -0.00505 136 4YZ 0.00352 0.00071 0.00251 -0.00145 0.00740 137 17 C 1S 0.00000 0.00000 0.00484 -0.00072 -0.00001 138 2S 0.00000 0.00000 -0.01384 0.00373 0.00001 139 2PX -0.00001 0.00001 -0.03283 0.07143 -0.00006 140 2PY -0.01497 0.00167 0.00000 0.00001 -0.00727 141 2PZ 0.00001 -0.00002 0.08196 -0.11324 0.00002 142 3S 0.00000 0.00001 -0.01437 0.00066 0.00003 143 3PX 0.00000 0.00000 -0.00506 0.00274 -0.00001 144 3PY 0.01074 0.00629 0.00000 0.00000 -0.01237 145 3PZ 0.00001 0.00000 0.02067 -0.01321 -0.00004 146 4XX 0.00000 0.00000 -0.00861 0.01578 -0.00001 147 4YY 0.00000 0.00000 -0.00006 0.00385 0.00000 148 4ZZ 0.00000 0.00000 0.00936 -0.02004 0.00001 149 4XY -0.00913 -0.00345 0.00000 0.00000 0.00582 150 4XZ 0.00000 0.00000 -0.00053 -0.00060 0.00000 151 4YZ 0.01718 0.00727 0.00000 0.00000 -0.00599 152 18 H 1S 0.01311 0.01730 -0.03248 0.04366 -0.06511 153 2S 0.00243 0.01917 -0.03080 0.03399 -0.07006 154 19 H 1S 0.00001 -0.00001 0.05915 -0.10842 0.00007 155 2S 0.00001 -0.00002 0.07279 -0.14169 0.00013 156 20 H 1S -0.01313 -0.01729 -0.03248 0.04366 0.06508 157 2S -0.00245 -0.01915 -0.03079 0.03397 0.06998 158 21 O 1S 0.00438 0.00152 -0.00621 0.00387 0.00232 159 2S -0.00429 -0.00462 0.01234 -0.00699 -0.00183 160 2PX 0.17419 0.06314 0.06115 -0.10719 -0.07170 161 2PY 0.09807 0.05440 -0.03248 0.00043 -0.00153 162 2PZ -0.24706 -0.11962 -0.06060 0.16850 0.07448 163 3S -0.03604 0.00562 0.02749 -0.02265 -0.02601 164 3PX 0.13315 0.04302 0.04360 -0.07748 -0.06041 165 3PY 0.06139 0.03934 -0.02186 -0.00021 -0.00649 166 3PZ -0.16754 -0.08416 -0.04204 0.12561 0.06603 167 4XX -0.00450 -0.00313 -0.00401 0.00661 -0.00115 168 4YY 0.00624 0.00196 -0.00166 0.00057 0.00071 169 4ZZ 0.00321 0.00022 0.00221 -0.00374 0.00434 170 4XY 0.00616 0.00148 0.00085 -0.00285 -0.00244 171 4XZ 0.00109 0.00036 0.00081 -0.00132 0.00043 172 4YZ -0.01006 -0.00527 -0.00312 0.00633 0.00287 173 22 O 1S -0.00439 -0.00152 -0.00621 0.00387 -0.00231 174 2S 0.00429 0.00462 0.01234 -0.00699 0.00182 175 2PX -0.17416 -0.06316 0.06117 -0.10723 0.07198 176 2PY 0.09804 0.05436 0.03248 -0.00044 -0.00156 177 2PZ 0.24706 0.11966 -0.06063 0.16855 -0.07481 178 3S 0.03606 -0.00563 0.02748 -0.02266 0.02592 179 3PX -0.13314 -0.04303 0.04362 -0.07750 0.06064 180 3PY 0.06137 0.03932 0.02185 0.00020 -0.00650 181 3PZ 0.16754 0.08419 -0.04205 0.12565 -0.06629 182 4XX 0.00450 0.00313 -0.00401 0.00661 0.00116 183 4YY -0.00624 -0.00196 -0.00166 0.00057 -0.00071 184 4ZZ -0.00321 -0.00022 0.00221 -0.00374 -0.00434 185 4XY 0.00616 0.00148 -0.00085 0.00285 -0.00245 186 4XZ -0.00109 -0.00036 0.00081 -0.00132 -0.00043 187 4YZ -0.01006 -0.00528 0.00312 -0.00633 0.00288 188 23 H 1S -0.00001 0.00001 -0.04718 0.08542 -0.00007 189 2S -0.00001 0.00001 -0.05044 0.11073 -0.00011 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00698 0.01018 0.08377 0.11232 1 1 C 1S -0.00195 0.00460 0.00662 0.02283 -0.02046 2 2S 0.00986 -0.00466 -0.01376 -0.05093 0.02318 3 2PX 0.15342 -0.12030 0.20352 0.03992 -0.07623 4 2PY 0.02328 -0.03531 0.00588 0.03599 -0.05712 5 2PZ -0.11244 0.10302 -0.15786 0.02651 -0.09759 6 3S 0.02454 -0.03351 0.00394 -0.24332 0.42089 7 3PX 0.12901 -0.17254 0.30045 0.08826 -0.15510 8 3PY 0.00705 -0.02145 0.06010 0.06192 -0.11737 9 3PZ -0.08398 0.14981 -0.17060 0.09411 -0.19311 10 4XX -0.00253 0.01610 0.00009 -0.00056 0.00123 11 4YY 0.00189 -0.00378 0.00175 -0.00387 -0.00097 12 4ZZ 0.00269 -0.00941 0.00077 0.00528 -0.00296 13 4XY 0.00497 -0.00830 -0.01074 0.00493 -0.00732 14 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 15 4YZ -0.00560 0.01374 0.00904 0.00596 -0.00807 16 2 C 1S -0.00194 0.00460 -0.00663 0.02283 -0.02045 17 2S 0.00983 -0.00465 0.01377 -0.05093 0.02317 18 2PX 0.15360 -0.12051 -0.20338 0.03990 -0.07621 19 2PY -0.02332 0.03531 0.00584 -0.03600 0.05714 20 2PZ -0.11268 0.10319 0.15774 0.02651 -0.09759 21 3S 0.02465 -0.03354 -0.00386 -0.24327 0.42086 22 3PX 0.12922 -0.17285 -0.30023 0.08825 -0.15504 23 3PY -0.00716 0.02151 0.06009 -0.06195 0.11739 24 3PZ -0.08412 0.14997 0.17043 0.09414 -0.19311 25 4XX -0.00251 0.01610 -0.00012 -0.00056 0.00122 26 4YY 0.00188 -0.00378 -0.00175 -0.00386 -0.00097 27 4ZZ 0.00268 -0.00941 -0.00075 0.00528 -0.00295 28 4XY -0.00496 0.00829 -0.01075 -0.00493 0.00732 29 4XZ 0.00085 0.00539 -0.00099 0.00229 -0.00122 30 4YZ 0.00558 -0.01373 0.00905 -0.00596 0.00807 31 3 C 1S -0.00473 -0.02869 0.00882 0.02361 -0.04189 32 2S 0.02223 0.05167 -0.04385 -0.04892 0.06232 33 2PX -0.03689 0.29284 -0.00789 -0.00131 0.03375 34 2PY 0.00633 -0.09313 0.01684 -0.07473 0.08537 35 2PZ 0.02554 -0.18152 0.01179 0.00261 -0.01079 36 3S -0.04323 0.21362 0.08576 -0.26251 0.59796 37 3PX -0.01503 0.37273 -0.00151 0.00398 0.12804 38 3PY 0.03919 -0.10314 -0.02701 -0.16915 0.23993 39 3PZ 0.04464 -0.21532 0.03746 0.04883 0.06930 40 4XX -0.01127 0.00019 0.01993 -0.00062 -0.00327 41 4YY 0.00295 -0.00195 -0.00423 0.00823 -0.00911 42 4ZZ 0.00571 -0.00747 -0.01353 -0.00332 0.00293 43 4XY 0.00115 0.00500 -0.00005 0.00251 -0.00056 44 4XZ 0.00523 0.00384 -0.00879 -0.00656 -0.00084 45 4YZ 0.00006 -0.00467 0.00028 -0.00384 -0.00171 46 4 C 1S -0.01157 0.01412 0.01542 0.05242 0.00917 47 2S 0.02705 -0.02562 -0.03229 -0.07735 -0.00296 48 2PX -0.00747 0.01029 0.02048 -0.09420 -0.10179 49 2PY -0.00756 0.01788 -0.02728 -0.05153 -0.02526 50 2PZ -0.04302 0.02633 0.05413 -0.08099 0.00526 51 3S 0.03923 -0.13002 -0.14381 -0.73840 -0.26440 52 3PX -0.01338 0.01226 0.05382 -0.18147 -0.21126 53 3PY -0.00262 -0.01356 -0.04798 -0.19728 -0.15827 54 3PZ -0.03374 0.01990 0.04199 -0.16119 0.07268 55 4XX -0.00183 -0.00649 0.00245 0.01073 0.00044 56 4YY 0.00255 -0.00565 -0.00081 -0.00368 -0.00066 57 4ZZ -0.00266 0.01495 -0.00077 0.00228 -0.00188 58 4XY 0.00040 0.00587 0.00101 0.00322 0.00054 59 4XZ 0.00392 -0.01388 -0.00243 0.00026 0.00082 60 4YZ -0.00099 0.00203 0.00226 0.00681 -0.00837 61 5 C 1S -0.01156 0.01411 -0.01544 0.05242 0.00918 62 2S 0.02703 -0.02558 0.03233 -0.07735 -0.00297 63 2PX -0.00736 0.01027 -0.02051 -0.09420 -0.10180 64 2PY 0.00755 -0.01792 -0.02725 0.05154 0.02528 65 2PZ -0.04305 0.02625 -0.05415 -0.08098 0.00528 66 3S 0.03906 -0.12988 0.14396 -0.73841 -0.26452 67 3PX -0.01333 0.01219 -0.05386 -0.18146 -0.21126 68 3PY 0.00260 0.01350 -0.04798 0.19729 0.15831 69 3PZ -0.03375 0.01982 -0.04200 -0.16111 0.07275 70 4XX -0.00182 -0.00649 -0.00244 0.01073 0.00044 71 4YY 0.00255 -0.00565 0.00082 -0.00368 -0.00066 72 4ZZ -0.00268 0.01495 0.00075 0.00227 -0.00187 73 4XY -0.00040 -0.00587 0.00102 -0.00322 -0.00055 74 4XZ 0.00394 -0.01388 0.00245 0.00026 0.00082 75 4YZ 0.00100 -0.00203 0.00226 -0.00681 0.00837 76 6 C 1S -0.00471 -0.02869 -0.00878 0.02361 -0.04189 77 2S 0.02219 0.05171 0.04379 -0.04893 0.06232 78 2PX -0.03726 0.29288 0.00754 -0.00132 0.03378 79 2PY -0.00645 0.09316 0.01672 0.07473 -0.08535 80 2PZ 0.02576 -0.18153 -0.01157 0.00264 -0.01083 81 3S -0.04328 0.21344 -0.08603 -0.26248 0.59800 82 3PX -0.01534 0.37276 0.00103 0.00396 0.12811 83 3PY -0.03921 0.10311 -0.02715 0.16916 -0.23990 84 3PZ 0.04485 -0.21536 -0.03717 0.04888 0.06925 85 4XX -0.01125 0.00017 -0.01993 -0.00062 -0.00326 86 4YY 0.00295 -0.00194 0.00423 0.00823 -0.00911 87 4ZZ 0.00570 -0.00745 0.01354 -0.00331 0.00293 88 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 89 4XZ 0.00523 0.00385 0.00878 -0.00656 -0.00083 90 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 91 7 H 1S -0.00343 0.02132 0.01091 0.02990 -0.02735 92 2S -0.00401 0.06254 0.06749 0.37779 -0.61076 93 8 H 1S -0.00339 0.02131 -0.01093 0.02990 -0.02735 94 2S -0.00393 0.06246 -0.06758 0.37778 -0.61072 95 9 H 1S 0.01302 -0.01336 -0.01334 0.02886 -0.02887 96 2S 0.00686 -0.05557 -0.01290 0.42855 -0.62104 97 10 H 1S 0.00216 -0.02833 0.00553 0.03637 0.00734 98 2S 0.02541 -0.04309 0.00661 0.67030 0.34984 99 11 H 1S 0.00226 -0.02835 -0.00549 0.03637 0.00734 100 2S 0.02559 -0.04310 -0.00652 0.67028 0.34989 101 12 H 1S 0.01305 -0.01334 0.01335 0.02886 -0.02886 102 2S 0.00693 -0.05554 0.01293 0.42856 -0.62102 103 13 H 1S -0.01970 0.06087 -0.01287 0.01248 -0.01629 104 2S -0.04995 0.20036 -0.09842 0.34455 -0.17663 105 14 H 1S -0.01958 0.06087 0.01279 0.01248 -0.01630 106 2S -0.04982 0.20044 0.09812 0.34457 -0.17668 107 15 C 1S 0.01561 0.01169 0.05211 0.01389 -0.00961 108 2S -0.02637 -0.03791 -0.11163 -0.04164 0.00098 109 2PX 0.22004 0.15887 0.23716 0.01560 -0.06759 110 2PY 0.08633 0.03389 0.07432 0.03082 -0.05608 111 2PZ -0.17714 -0.09923 -0.20969 0.03479 -0.11985 112 3S -0.11585 0.00268 -0.27485 -0.14078 0.29375 113 3PX 0.14341 0.20329 0.31490 0.07917 -0.14865 114 3PY 0.07616 0.00790 0.23626 0.04986 -0.12638 115 3PZ -0.13608 -0.08011 -0.11698 0.10455 -0.27851 116 4XX -0.00839 0.00552 0.00422 0.00188 0.00358 117 4YY 0.00092 -0.00096 0.00406 -0.00079 -0.00558 118 4ZZ 0.01024 0.00183 0.00642 0.00347 -0.00129 119 4XY 0.01161 0.01368 -0.01144 0.00153 -0.00287 120 4XZ 0.00281 -0.01141 0.00576 -0.00155 0.00412 121 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 122 16 C 1S 0.01562 0.01164 -0.05214 0.01390 -0.00960 123 2S -0.02640 -0.03779 0.11169 -0.04164 0.00096 124 2PX 0.21993 0.15857 -0.23734 0.01561 -0.06765 125 2PY -0.08632 -0.03379 0.07434 -0.03082 0.05607 126 2PZ -0.17701 -0.09896 0.20980 0.03479 -0.11984 127 3S -0.11589 0.00294 0.27491 -0.14082 0.29375 128 3PX 0.14330 0.20293 -0.31513 0.07915 -0.14871 129 3PY -0.07612 -0.00764 0.23626 -0.04986 0.12629 130 3PZ -0.13597 -0.07996 0.11707 0.10454 -0.27848 131 4XX -0.00837 0.00552 -0.00423 0.00188 0.00358 132 4YY 0.00091 -0.00097 -0.00406 -0.00079 -0.00558 133 4ZZ 0.01023 0.00183 -0.00642 0.00347 -0.00128 134 4XY -0.01162 -0.01370 -0.01143 -0.00153 0.00287 135 4XZ 0.00280 -0.01142 -0.00575 -0.00155 0.00413 136 4YZ 0.01258 0.01067 0.00815 -0.00258 0.01277 137 17 C 1S 0.00840 0.00001 0.00000 0.05870 0.04876 138 2S -0.02052 -0.00332 0.00000 -0.10858 -0.07173 139 2PX 0.07240 0.00107 0.00000 -0.05308 -0.05283 140 2PY 0.00000 0.00003 0.06594 0.00002 -0.00006 141 2PZ -0.02597 0.02192 -0.00001 -0.19215 -0.16867 142 3S -0.04375 0.02244 -0.00003 -0.80854 -0.80820 143 3PX 0.01172 0.01856 -0.00001 -0.17806 -0.14557 144 3PY -0.00001 0.00006 0.11962 0.00005 -0.00014 145 3PZ 0.05634 0.04077 -0.00002 -0.48238 -0.43496 146 4XX 0.01839 0.00012 0.00000 0.01075 0.00338 147 4YY 0.00229 0.00337 0.00000 0.00118 -0.00217 148 4ZZ -0.01982 -0.00331 0.00000 0.00492 0.00639 149 4XY 0.00000 0.00001 0.01363 0.00000 0.00000 150 4XZ 0.00044 0.00052 0.00000 -0.00824 -0.00557 151 4YZ 0.00000 0.00000 -0.00626 0.00000 0.00000 152 18 H 1S 0.00981 -0.02419 -0.06324 0.00917 -0.03358 153 2S 0.04017 -0.06005 -0.35371 0.28047 -0.60420 154 19 H 1S -0.08854 -0.01615 0.00001 0.02913 0.04102 155 2S -0.16262 -0.08576 0.00006 0.84992 0.84366 156 20 H 1S 0.00990 -0.02411 0.06325 0.00917 -0.03360 157 2S 0.04025 -0.05966 0.35374 0.28047 -0.60433 158 21 O 1S -0.00599 0.00573 -0.01758 0.01155 -0.00906 159 2S 0.00549 -0.00821 0.04331 -0.03193 0.00991 160 2PX -0.18584 -0.01622 -0.12500 0.01593 -0.06025 161 2PY -0.02665 -0.01483 0.01598 -0.01250 0.02718 162 2PZ 0.21714 0.08080 0.08194 0.00352 -0.00488 163 3S 0.06521 -0.07378 0.11219 -0.11304 0.12119 164 3PX -0.15622 -0.00527 -0.10853 0.03683 -0.07008 165 3PY -0.01189 -0.02622 0.00830 -0.07049 0.05129 166 3PZ 0.17795 0.09797 0.09525 0.04659 0.02228 167 4XX -0.00410 -0.00188 -0.01484 -0.00271 -0.00460 168 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00382 169 4ZZ -0.00104 0.00593 0.00723 -0.00046 -0.00321 170 4XY -0.00705 0.00053 -0.00326 0.00059 0.00353 171 4XZ 0.00027 -0.00120 -0.00156 -0.01157 -0.00506 172 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 173 22 O 1S -0.00599 0.00575 0.01757 0.01155 -0.00909 174 2S 0.00549 -0.00826 -0.04330 -0.03193 0.00996 175 2PX -0.18575 -0.01605 0.12501 0.01593 -0.06023 176 2PY 0.02661 0.01483 0.01597 0.01250 -0.02722 177 2PZ 0.21704 0.08069 -0.08201 0.00353 -0.00486 178 3S 0.06524 -0.07389 -0.11210 -0.11304 0.12150 179 3PX -0.15614 -0.00513 0.10852 0.03683 -0.07005 180 3PY 0.01186 0.02621 0.00828 0.07048 -0.05137 181 3PZ 0.17786 0.09785 -0.09534 0.04660 0.02231 182 4XX -0.00410 -0.00186 0.01484 -0.00271 -0.00461 183 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 184 4ZZ -0.00104 0.00592 -0.00724 -0.00046 -0.00322 185 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 186 4XZ 0.00027 -0.00120 0.00156 -0.01157 -0.00506 187 4YZ -0.00293 0.00122 0.00246 0.00326 0.00295 188 23 H 1S 0.09040 0.00388 0.00000 0.03351 0.02902 189 2S 0.14839 0.00369 0.00001 0.46172 0.43000 46 47 48 49 50 V V V V V Eigenvalues -- 0.11912 0.12247 0.12316 0.13517 0.14425 1 1 C 1S -0.01464 0.01343 -0.03549 -0.01151 0.01724 2 2S 0.02908 -0.03710 0.05306 0.02269 -0.04592 3 2PX -0.20591 0.06542 -0.03836 -0.04250 -0.01096 4 2PY 0.01530 -0.01238 -0.04980 -0.01761 0.02893 5 2PZ 0.17802 -0.06701 -0.10302 0.00501 0.07771 6 3S 0.08361 -0.07567 0.54955 0.13698 -0.28540 7 3PX -0.36846 0.17493 -0.09645 -0.06045 0.04027 8 3PY -0.00906 0.03554 -0.19852 -0.03512 0.12841 9 3PZ 0.25837 -0.09642 -0.21179 -0.02198 0.10538 10 4XX 0.00907 -0.00570 -0.00670 -0.00170 0.00608 11 4YY -0.00702 0.00496 0.00452 0.00139 -0.00422 12 4ZZ -0.00668 0.00222 -0.00543 -0.00081 -0.00410 13 4XY 0.00973 -0.00317 -0.00604 -0.00813 0.00192 14 4XZ 0.00163 -0.00403 -0.00390 -0.00211 -0.00252 15 4YZ -0.00496 0.00068 -0.00978 0.00140 0.00318 16 2 C 1S 0.01466 -0.01359 -0.03542 -0.01151 0.01726 17 2S -0.02912 0.03735 0.05288 0.02269 -0.04596 18 2PX 0.20592 -0.06561 -0.03792 -0.04253 -0.01091 19 2PY 0.01527 -0.01214 0.04988 0.01762 -0.02902 20 2PZ -0.17795 0.06652 -0.10342 0.00501 0.07779 21 3S -0.08394 0.07822 0.54909 0.13712 -0.28607 22 3PX 0.36850 -0.17540 -0.09542 -0.06048 0.04050 23 3PY -0.00917 0.03645 0.19843 0.03505 -0.12833 24 3PZ -0.25826 0.09545 -0.21235 -0.02196 0.10564 25 4XX -0.00907 0.00567 -0.00673 -0.00169 0.00609 26 4YY 0.00701 -0.00494 0.00455 0.00139 -0.00423 27 4ZZ 0.00668 -0.00224 -0.00542 -0.00081 -0.00410 28 4XY 0.00973 -0.00314 0.00606 0.00813 -0.00192 29 4XZ -0.00162 0.00401 -0.00392 -0.00211 -0.00252 30 4YZ -0.00497 0.00072 0.00977 -0.00140 -0.00318 31 3 C 1S 0.01237 -0.01048 0.00409 -0.00803 -0.01002 32 2S -0.02178 0.01831 -0.01709 0.02442 0.01464 33 2PX -0.20601 0.13254 -0.04494 0.02644 0.03313 34 2PY 0.06444 -0.07533 0.06395 0.02526 -0.00257 35 2PZ 0.09787 -0.06808 -0.02100 -0.02582 0.01732 36 3S -0.13091 0.09222 -0.00568 0.04248 0.14266 37 3PX -0.26440 0.25815 -0.07906 0.11184 -0.05462 38 3PY 0.13859 -0.21396 0.13828 0.09408 0.01925 39 3PZ 0.14761 -0.01030 0.04882 -0.18964 -0.00184 40 4XX -0.00750 0.00136 0.00520 -0.00037 -0.00387 41 4YY -0.00255 0.00272 -0.00865 -0.00709 0.00508 42 4ZZ 0.01370 -0.00797 0.00159 0.00656 -0.00245 43 4XY -0.00782 0.00718 -0.01059 0.00574 -0.00282 44 4XZ -0.00239 0.00429 0.00486 0.00070 0.00048 45 4YZ 0.00722 -0.00386 -0.00074 -0.00433 0.00346 46 4 C 1S 0.00832 0.02077 0.01865 -0.03955 -0.00563 47 2S -0.00742 -0.00490 -0.01713 0.04340 0.00174 48 2PX -0.04542 -0.02592 0.11938 -0.11341 0.09437 49 2PY 0.05791 -0.05331 -0.02573 0.06766 0.01911 50 2PZ -0.02606 -0.01189 -0.14048 0.08817 0.01747 51 3S -0.13244 -0.44688 -0.39988 0.70604 0.14564 52 3PX -0.14969 -0.08409 0.34188 -0.30770 0.28090 53 3PY 0.15412 -0.10173 -0.13680 0.19196 0.03915 54 3PZ -0.04674 0.01200 -0.36397 0.20458 0.03922 55 4XX 0.00359 0.00004 0.00593 -0.00342 -0.00482 56 4YY 0.00717 -0.00138 0.00095 -0.00205 -0.00170 57 4ZZ -0.00919 0.00879 -0.00221 -0.00287 0.00399 58 4XY -0.00506 0.00122 -0.01140 0.00253 -0.00577 59 4XZ 0.00813 -0.00748 -0.01278 -0.00043 0.00028 60 4YZ -0.00191 0.00065 0.00399 -0.00403 -0.00053 61 5 C 1S -0.00834 -0.02069 0.01873 -0.03954 -0.00564 62 2S 0.00744 0.00483 -0.01715 0.04340 0.00172 63 2PX 0.04532 0.02638 0.11928 -0.11343 0.09442 64 2PY 0.05789 -0.05320 0.02601 -0.06766 -0.01921 65 2PZ 0.02616 0.01130 -0.14051 0.08815 0.01753 66 3S 0.13277 0.44513 -0.40166 0.70578 0.14614 67 3PX 0.14940 0.08541 0.34157 -0.30776 0.28105 68 3PY 0.15399 -0.10111 0.13743 -0.19204 -0.03912 69 3PZ 0.04702 -0.01352 -0.36391 0.20460 0.03930 70 4XX -0.00359 -0.00001 0.00593 -0.00342 -0.00483 71 4YY -0.00717 0.00138 0.00094 -0.00205 -0.00169 72 4ZZ 0.00919 -0.00880 -0.00217 -0.00287 0.00398 73 4XY -0.00507 0.00127 0.01139 -0.00253 0.00577 74 4XZ -0.00812 0.00742 -0.01282 -0.00043 0.00028 75 4YZ -0.00191 0.00064 -0.00399 0.00403 0.00053 76 6 C 1S -0.01237 0.01047 0.00403 -0.00802 -0.01007 77 2S 0.02178 -0.01834 -0.01698 0.02439 0.01472 78 2PX 0.20602 -0.13269 -0.04422 0.02641 0.03319 79 2PY 0.06448 -0.07563 -0.06359 -0.02520 0.00232 80 2PZ -0.09785 0.06796 -0.02137 -0.02580 0.01729 81 3S 0.13085 -0.09192 -0.00513 0.04228 0.14364 82 3PX 0.26444 -0.25839 -0.07774 0.11182 -0.05453 83 3PY 0.13868 -0.21463 -0.13733 -0.09383 -0.02001 84 3PZ -0.14762 0.01046 0.04866 -0.18960 -0.00187 85 4XX 0.00750 -0.00134 0.00521 -0.00037 -0.00388 86 4YY 0.00256 -0.00277 -0.00864 -0.00710 0.00507 87 4ZZ -0.01369 0.00797 0.00155 0.00657 -0.00245 88 4XY -0.00783 0.00723 0.01055 -0.00574 0.00283 89 4XZ 0.00239 -0.00427 0.00488 0.00070 0.00048 90 4YZ 0.00723 -0.00385 0.00075 0.00432 -0.00346 91 7 H 1S -0.01556 -0.00642 -0.05052 -0.02521 0.00283 92 2S -0.04198 0.04561 -0.71006 -0.19425 0.35491 93 8 H 1S 0.01559 0.00619 -0.05054 -0.02521 0.00284 94 2S 0.04238 -0.04893 -0.70981 -0.19431 0.35556 95 9 H 1S -0.01958 0.01725 -0.02656 -0.02468 0.01513 96 2S -0.09540 0.19948 -0.19842 -0.22121 -0.05223 97 10 H 1S 0.02396 -0.01428 -0.03249 0.00352 -0.02958 98 2S 0.19001 0.24035 -0.18598 -0.04974 -0.45187 99 11 H 1S -0.02394 0.01415 -0.03256 0.00353 -0.02961 100 2S -0.18983 -0.24100 -0.18506 -0.04959 -0.45226 101 12 H 1S 0.01960 -0.01739 -0.02647 -0.02467 0.01510 102 2S 0.09554 -0.20064 -0.19759 -0.22087 -0.05361 103 13 H 1S 0.04418 -0.03869 0.06356 -0.02405 0.01626 104 2S 0.19217 -0.20841 0.88308 -0.81904 0.17538 105 14 H 1S -0.04423 0.03895 0.06337 -0.02405 0.01626 106 2S -0.19290 0.21202 0.88206 -0.81904 0.17556 107 15 C 1S 0.04789 -0.00508 0.00437 0.02436 0.04019 108 2S -0.10822 0.00108 -0.02725 -0.02955 -0.08332 109 2PX 0.05914 -0.25282 0.06358 0.06634 -0.11902 110 2PY 0.09250 0.04937 0.00965 0.09768 0.05143 111 2PZ -0.10893 0.05785 0.07999 0.17978 -0.10599 112 3S -0.37674 0.13821 -0.07375 -0.54033 -0.46655 113 3PX 0.18356 -0.44293 0.14871 0.22749 -0.28787 114 3PY 0.15743 0.23062 0.04342 0.24361 0.21901 115 3PZ 0.02121 0.07079 0.19155 0.38943 -0.20655 116 4XX 0.00752 -0.00249 -0.00620 0.00003 0.00834 117 4YY -0.00154 -0.00781 -0.00048 0.00529 -0.01141 118 4ZZ 0.00679 0.00145 0.00663 0.00097 0.00472 119 4XY 0.00020 0.01187 0.00430 0.01082 -0.01372 120 4XZ 0.00125 0.00904 -0.00761 0.00082 0.01365 121 4YZ 0.00254 -0.00010 0.01331 0.01507 -0.01041 122 16 C 1S -0.04790 0.00510 0.00431 0.02436 0.04023 123 2S 0.10824 -0.00119 -0.02716 -0.02954 -0.08336 124 2PX -0.05920 0.25313 0.06243 0.06632 -0.11906 125 2PY 0.09248 0.04935 -0.00981 -0.09773 -0.05143 126 2PZ 0.10890 -0.05751 0.08034 0.17972 -0.10587 127 3S 0.37675 -0.13846 -0.07290 -0.54021 -0.46734 128 3PX -0.18369 0.44364 0.14664 0.22737 -0.28783 129 3PY 0.15743 0.23048 -0.04436 -0.24371 -0.21886 130 3PZ -0.02129 -0.06994 0.19192 0.38930 -0.20608 131 4XX -0.00751 0.00247 -0.00622 0.00002 0.00835 132 4YY 0.00154 0.00781 -0.00051 0.00529 -0.01141 133 4ZZ -0.00679 -0.00142 0.00662 0.00097 0.00472 134 4XY 0.00020 0.01184 -0.00435 -0.01083 0.01372 135 4XZ -0.00124 -0.00908 -0.00757 0.00081 0.01366 136 4YZ 0.00255 -0.00015 -0.01331 -0.01507 0.01042 137 17 C 1S 0.00001 0.00003 0.00921 0.05798 0.06464 138 2S 0.00000 -0.00011 -0.04197 -0.09739 -0.09110 139 2PX 0.00003 -0.00018 -0.09012 -0.07805 -0.24159 140 2PY 0.23013 0.34537 -0.00066 -0.00004 0.00002 141 2PZ 0.00000 0.00008 0.03451 0.03553 0.13742 142 3S -0.00010 -0.00035 -0.08855 -0.79248 -0.99143 143 3PX 0.00012 -0.00067 -0.33389 -0.13265 -0.61732 144 3PY 0.62951 0.88670 -0.00168 -0.00011 0.00005 145 3PZ 0.00001 0.00016 0.07168 0.07122 0.31650 146 4XX 0.00000 0.00001 0.00473 0.00394 0.01355 147 4YY 0.00000 0.00000 0.00131 0.00813 -0.00620 148 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 149 4XY 0.01721 0.01384 -0.00002 0.00000 0.00000 150 4XZ 0.00000 -0.00001 -0.00444 0.00494 0.00598 151 4YZ 0.01060 0.02303 -0.00005 0.00000 0.00000 152 18 H 1S -0.04702 -0.03194 0.03825 0.05618 -0.00896 153 2S -0.41345 -0.11446 0.35444 0.94717 0.08419 154 19 H 1S 0.00001 -0.00002 -0.01378 0.00904 0.02092 155 2S 0.00014 -0.00017 -0.15944 0.24465 -0.09548 156 20 H 1S 0.04700 0.03212 0.03815 0.05617 -0.00895 157 2S 0.41330 0.11587 0.35416 0.94730 0.08346 158 21 O 1S -0.04262 -0.06509 0.01872 0.00216 -0.04987 159 2S 0.06993 0.08795 -0.03290 -0.01867 0.07551 160 2PX 0.00245 0.09485 0.07705 0.07940 -0.09371 161 2PY 0.07188 0.08516 -0.04945 0.00015 0.07186 162 2PZ 0.07590 0.04152 0.01104 0.03752 -0.10700 163 3S 0.45075 0.81124 -0.23818 -0.00205 0.59849 164 3PX 0.05214 0.13219 0.12540 0.14093 -0.12567 165 3PY 0.13532 0.21591 -0.10656 -0.02027 0.15273 166 3PZ 0.13553 0.06299 0.01436 0.05122 -0.19965 167 4XX -0.02432 -0.02268 0.00581 -0.00588 -0.02161 168 4YY -0.00319 -0.01304 0.00002 -0.00295 -0.01110 169 4ZZ -0.01358 -0.03596 0.00582 -0.00764 -0.01768 170 4XY 0.00078 -0.00037 -0.00395 -0.00725 -0.00874 171 4XZ -0.00912 -0.00778 -0.00537 -0.00309 -0.00241 172 4YZ 0.00294 0.00177 0.00258 -0.00064 0.00283 173 22 O 1S 0.04260 0.06517 0.01847 0.00215 -0.04986 174 2S -0.06990 -0.08810 -0.03257 -0.01866 0.07550 175 2PX -0.00250 -0.09450 0.07747 0.07942 -0.09371 176 2PY 0.07185 0.08537 0.04914 -0.00016 -0.07187 177 2PZ -0.07590 -0.04143 0.01116 0.03756 -0.10709 178 3S -0.45052 -0.81227 -0.23503 -0.00184 0.59832 179 3PX -0.05223 -0.13161 0.12595 0.14095 -0.12565 180 3PY 0.13524 0.21636 0.10573 0.02020 -0.15268 181 3PZ -0.13553 -0.06283 0.01454 0.05126 -0.19977 182 4XX 0.02431 0.02270 0.00573 -0.00589 -0.02161 183 4YY 0.00318 0.01304 -0.00003 -0.00295 -0.01109 184 4ZZ 0.01358 0.03599 0.00567 -0.00765 -0.01768 185 4XY 0.00078 -0.00036 0.00395 0.00725 0.00874 186 4XZ 0.00913 0.00775 -0.00539 -0.00309 -0.00242 187 4YZ 0.00294 0.00176 -0.00259 0.00064 -0.00282 188 23 H 1S 0.00000 0.00003 0.01439 0.00763 0.07888 189 2S -0.00010 0.00099 0.46022 0.60007 1.41866 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16392 0.17145 0.17764 0.19270 1 1 C 1S -0.02426 0.01338 0.03541 0.04224 0.05798 2 2S 0.03793 0.03154 -0.03285 -0.06379 -0.07426 3 2PX -0.06622 0.07765 0.04055 -0.02967 0.07377 4 2PY -0.06666 0.04452 0.08616 -0.01236 0.06308 5 2PZ -0.06131 0.00045 0.03381 0.05979 0.06882 6 3S 0.58901 -0.40498 -0.73725 -0.58813 -0.87208 7 3PX -0.25315 0.05583 0.05166 0.06326 0.24391 8 3PY 0.06277 0.14022 0.35789 0.05291 0.20168 9 3PZ -0.23348 0.02444 0.02651 0.27862 0.43129 10 4XX -0.00007 -0.00263 -0.00019 -0.00112 0.00856 11 4YY 0.00806 0.00631 -0.00048 0.01160 0.00478 12 4ZZ -0.00483 0.00782 0.00684 -0.00001 0.00218 13 4XY 0.00075 0.00554 0.00139 0.00028 -0.00199 14 4XZ 0.00006 0.00676 0.00326 -0.00108 0.00454 15 4YZ 0.00102 -0.00217 -0.00822 -0.00325 -0.00261 16 2 C 1S 0.02424 0.01338 0.03541 -0.04223 -0.05798 17 2S -0.03787 0.03155 -0.03285 0.06378 0.07425 18 2PX 0.06623 0.07765 0.04055 0.02968 -0.07377 19 2PY -0.06665 -0.04452 -0.08615 -0.01237 0.06310 20 2PZ 0.06122 0.00043 0.03379 -0.05980 -0.06880 21 3S -0.58875 -0.40496 -0.73730 0.58803 0.87214 22 3PX 0.25311 0.05577 0.05164 -0.06325 -0.24388 23 3PY 0.06284 -0.14019 -0.35788 0.05291 0.20177 24 3PZ 0.23339 0.02433 0.02644 -0.27861 -0.43124 25 4XX 0.00007 -0.00263 -0.00020 0.00112 -0.00857 26 4YY -0.00805 0.00632 -0.00048 -0.01160 -0.00478 27 4ZZ 0.00483 0.00782 0.00685 0.00001 -0.00218 28 4XY 0.00076 -0.00554 -0.00139 0.00028 -0.00198 29 4XZ -0.00005 0.00676 0.00326 0.00108 -0.00454 30 4YZ 0.00102 0.00217 0.00822 -0.00325 -0.00261 31 3 C 1S 0.04504 -0.01266 -0.08275 0.00567 0.01579 32 2S -0.06345 0.01524 0.09996 -0.03022 -0.05217 33 2PX -0.07408 -0.05076 -0.02185 0.03490 -0.00212 34 2PY -0.20025 0.00288 0.07370 -0.05775 0.07584 35 2PZ 0.04235 0.03323 0.10838 0.03265 0.03259 36 3S -0.86621 0.25010 1.44151 0.00778 0.00362 37 3PX -0.12927 -0.09741 -0.09378 0.07800 0.09255 38 3PY -0.60179 -0.06323 0.25374 -0.33151 0.02666 39 3PZ 0.00872 0.04831 0.22292 0.36979 0.04468 40 4XX 0.00488 0.00115 -0.00527 -0.00107 0.00506 41 4YY 0.00187 0.00041 -0.00065 -0.00267 -0.01113 42 4ZZ 0.00171 -0.00448 -0.01048 0.00257 0.00738 43 4XY 0.00122 0.00341 -0.00076 0.00455 0.00474 44 4XZ -0.00652 -0.00018 -0.00084 0.00032 0.00377 45 4YZ -0.00442 0.00438 0.00511 0.01351 0.00338 46 4 C 1S 0.00351 -0.00217 0.03761 0.11464 0.00885 47 2S 0.02171 -0.01211 -0.03722 -0.09202 0.00018 48 2PX -0.03259 -0.01443 0.09144 -0.00513 -0.01480 49 2PY -0.07346 0.00886 -0.04080 0.04681 0.09720 50 2PZ -0.05407 0.08221 0.06555 -0.10603 -0.01346 51 3S -0.25054 0.12660 -0.62757 -2.23046 -0.21135 52 3PX -0.11673 0.05106 0.31193 0.07395 -0.16608 53 3PY 0.05585 0.03175 -0.28546 0.46123 0.31969 54 3PZ -0.09323 0.16425 0.27491 -0.21914 0.05643 55 4XX 0.00716 0.00076 -0.00269 0.00209 -0.00103 56 4YY -0.00723 -0.00270 -0.00299 0.01886 0.00931 57 4ZZ 0.00476 -0.00096 0.01229 0.00191 -0.00651 58 4XY -0.00052 -0.00302 -0.01178 0.00045 -0.00074 59 4XZ 0.00385 -0.00085 0.00566 -0.00039 -0.00394 60 4YZ 0.00036 -0.00451 -0.01440 -0.00166 -0.00248 61 5 C 1S -0.00351 -0.00216 0.03762 -0.11464 -0.00886 62 2S -0.02170 -0.01212 -0.03723 0.09201 -0.00018 63 2PX 0.03244 -0.01442 0.09146 0.00515 0.01479 64 2PY -0.07347 -0.00885 0.04080 0.04679 0.09719 65 2PZ 0.05408 0.08220 0.06553 0.10606 0.01348 66 3S 0.25065 0.12645 -0.62773 2.23047 0.21149 67 3PX 0.11632 0.05106 0.31199 -0.07390 0.16605 68 3PY 0.05580 -0.03174 0.28544 0.46121 0.31966 69 3PZ 0.09328 0.16416 0.27487 0.21927 -0.05641 70 4XX -0.00715 0.00076 -0.00269 -0.00209 0.00103 71 4YY 0.00723 -0.00271 -0.00300 -0.01886 -0.00931 72 4ZZ -0.00476 -0.00096 0.01230 -0.00191 0.00650 73 4XY -0.00052 0.00302 0.01178 0.00046 -0.00074 74 4XZ -0.00385 -0.00085 0.00567 0.00039 0.00394 75 4YZ 0.00037 0.00451 0.01440 -0.00167 -0.00249 76 6 C 1S -0.04503 -0.01266 -0.08276 -0.00568 -0.01579 77 2S 0.06344 0.01524 0.09997 0.03023 0.05217 78 2PX 0.07403 -0.05074 -0.02183 -0.03490 0.00213 79 2PY -0.20025 -0.00285 -0.07370 -0.05774 0.07584 80 2PZ -0.04241 0.03323 0.10836 -0.03265 -0.03258 81 3S 0.86603 0.24998 1.44151 -0.00766 -0.00371 82 3PX 0.12930 -0.09738 -0.09373 -0.07804 -0.09253 83 3PY -0.60177 0.06325 -0.25374 -0.33144 0.02662 84 3PZ -0.00890 0.04832 0.22287 -0.36984 -0.04473 85 4XX -0.00488 0.00115 -0.00527 0.00107 -0.00506 86 4YY -0.00187 0.00042 -0.00065 0.00266 0.01113 87 4ZZ -0.00171 -0.00448 -0.01048 -0.00256 -0.00738 88 4XY 0.00121 -0.00341 0.00076 0.00455 0.00474 89 4XZ 0.00652 -0.00018 -0.00084 -0.00031 -0.00377 90 4YZ -0.00441 -0.00438 -0.00510 0.01351 0.00339 91 7 H 1S -0.00643 0.03751 0.01579 0.00137 0.04624 92 2S -0.59153 0.33072 0.60728 0.47259 1.01103 93 8 H 1S 0.00643 0.03751 0.01579 -0.00137 -0.04624 94 2S 0.59118 0.33059 0.60727 -0.47253 -1.01106 95 9 H 1S 0.02116 0.00174 -0.02365 -0.01784 -0.04065 96 2S 1.13257 -0.02745 -0.85859 0.32474 -0.14154 97 10 H 1S 0.02074 -0.01302 -0.03989 0.00289 -0.00959 98 2S 0.26012 -0.16310 -0.16958 0.67502 -0.00799 99 11 H 1S -0.02071 -0.01301 -0.03988 -0.00290 0.00959 100 2S -0.25964 -0.16299 -0.16950 -0.67506 0.00798 101 12 H 1S -0.02118 0.00175 -0.02365 0.01784 0.04065 102 2S -1.13252 -0.02733 -0.85856 -0.32481 0.14150 103 13 H 1S 0.00950 -0.00344 -0.00525 -0.00689 0.01236 104 2S -0.07306 -0.20816 0.31206 -0.87866 0.19316 105 14 H 1S -0.00953 -0.00344 -0.00525 0.00689 -0.01236 106 2S 0.07254 -0.20829 0.31193 0.87863 -0.19325 107 15 C 1S -0.03257 -0.05603 -0.00421 0.01471 -0.06491 108 2S 0.03716 0.09076 0.02010 -0.01509 0.09271 109 2PX 0.05920 0.06263 0.05499 0.02283 0.02884 110 2PY -0.01608 -0.12461 -0.02514 -0.03169 -0.01154 111 2PZ -0.13284 0.01291 0.08412 0.07711 -0.20241 112 3S 0.64278 0.90690 -0.10799 -0.25953 1.08633 113 3PX -0.00608 0.24224 0.12496 0.14355 -0.17570 114 3PY 0.04383 -0.44249 0.09452 0.02072 -0.01094 115 3PZ -0.45748 0.03527 0.16408 0.30157 -0.68625 116 4XX -0.00608 -0.00892 -0.00392 0.00026 -0.00873 117 4YY -0.00409 0.00891 -0.00009 0.01067 -0.01364 118 4ZZ 0.00078 -0.00114 0.00303 -0.00264 0.00178 119 4XY -0.00229 0.00447 0.00854 -0.00277 -0.00030 120 4XZ -0.00460 -0.01415 -0.00532 0.00130 -0.00699 121 4YZ 0.00613 0.01153 0.00980 -0.00384 0.01064 122 16 C 1S 0.03252 -0.05603 -0.00421 -0.01471 0.06492 123 2S -0.03706 0.09075 0.02010 0.01510 -0.09273 124 2PX -0.05906 0.06265 0.05498 -0.02280 -0.02888 125 2PY -0.01604 0.12462 0.02513 -0.03167 -0.01159 126 2PZ 0.13302 0.01295 0.08415 -0.07710 0.20243 127 3S -0.64228 0.90691 -0.10799 0.25961 -1.08651 128 3PX 0.00645 0.24235 0.12494 -0.14346 0.17560 129 3PY 0.04400 0.44241 -0.09460 0.02081 -0.01113 130 3PZ 0.45784 0.03538 0.16417 -0.30153 0.68627 131 4XX 0.00607 -0.00892 -0.00392 -0.00027 0.00873 132 4YY 0.00410 0.00892 -0.00009 -0.01066 0.01364 133 4ZZ -0.00078 -0.00114 0.00303 0.00264 -0.00178 134 4XY -0.00231 -0.00446 -0.00854 -0.00277 -0.00029 135 4XZ 0.00458 -0.01415 -0.00532 -0.00130 0.00699 136 4YZ 0.00611 -0.01153 -0.00980 -0.00384 0.01064 137 17 C 1S -0.00003 -0.01534 0.03929 0.00000 -0.00001 138 2S 0.00005 0.02428 -0.06081 0.00000 0.00001 139 2PX 0.00012 -0.32174 0.16666 -0.00001 0.00001 140 2PY 0.00263 0.00002 0.00000 -0.14832 0.09936 141 2PZ -0.00008 0.03866 -0.04020 -0.00002 -0.00001 142 3S 0.00052 -0.02608 -0.49216 0.00002 0.00011 143 3PX 0.00032 -0.87127 0.49146 -0.00002 0.00000 144 3PY 0.00433 0.00004 -0.00001 -0.27912 0.20277 145 3PZ -0.00020 0.03097 -0.04325 -0.00005 -0.00005 146 4XX -0.00001 0.00021 -0.00487 0.00000 0.00000 147 4YY 0.00001 0.00354 0.01189 0.00000 0.00000 148 4ZZ 0.00000 -0.00501 -0.00249 0.00000 0.00000 149 4XY -0.00083 0.00000 0.00000 -0.01055 0.00499 150 4XZ 0.00000 -0.01430 0.00539 0.00000 0.00000 151 4YZ -0.00494 0.00000 0.00000 -0.00686 -0.00109 152 18 H 1S -0.00139 -0.00541 0.04190 0.00115 0.01946 153 2S 0.65984 -0.65998 0.31968 -0.36299 1.14795 154 19 H 1S -0.00001 -0.02512 -0.00115 0.00000 0.00001 155 2S 0.00009 -0.41367 0.49945 0.00001 0.00003 156 20 H 1S 0.00140 -0.00541 0.04189 -0.00115 -0.01947 157 2S -0.65975 -0.66009 0.31959 0.36299 -1.14781 158 21 O 1S -0.00154 0.05755 -0.00661 0.01642 -0.01095 159 2S -0.00099 -0.07983 0.00186 -0.00463 0.00172 160 2PX -0.01515 0.12666 0.05178 -0.04750 0.02943 161 2PY -0.03319 -0.10941 0.03795 -0.04559 -0.01506 162 2PZ 0.05342 0.05938 0.08785 -0.00970 0.07345 163 3S 0.05015 -0.76972 0.12851 -0.29184 0.22628 164 3PX -0.04408 0.28545 0.07407 -0.02559 -0.00315 165 3PY -0.00814 -0.23083 0.10399 -0.08175 0.04533 166 3PZ 0.07030 0.10956 0.13216 -0.04113 0.11080 167 4XX -0.00039 0.01875 0.00123 0.01400 -0.00844 168 4YY -0.00367 0.01341 -0.00495 0.00846 -0.00864 169 4ZZ 0.00380 0.02487 -0.00493 0.00871 0.00015 170 4XY -0.00258 0.00367 -0.00285 0.00136 -0.00432 171 4XZ 0.00419 -0.00496 0.00568 0.00708 0.00279 172 4YZ 0.00053 0.00851 -0.00258 0.00567 -0.00325 173 22 O 1S 0.00160 0.05756 -0.00661 -0.01641 0.01095 174 2S 0.00089 -0.07983 0.00186 0.00462 -0.00172 175 2PX 0.01528 0.12666 0.05179 0.04751 -0.02946 176 2PY -0.03308 0.10941 -0.03796 -0.04556 -0.01503 177 2PZ -0.05329 0.05940 0.08785 0.00971 -0.07348 178 3S -0.05092 -0.76980 0.12851 0.29171 -0.22626 179 3PX 0.04427 0.28546 0.07409 0.02563 0.00308 180 3PY -0.00792 0.23084 -0.10401 -0.08171 0.04539 181 3PZ -0.07006 0.10959 0.13214 0.04116 -0.11085 182 4XX 0.00042 0.01875 0.00123 -0.01399 0.00844 183 4YY 0.00369 0.01341 -0.00495 -0.00846 0.00864 184 4ZZ -0.00378 0.02487 -0.00493 -0.00870 -0.00015 185 4XY -0.00259 -0.00367 0.00285 0.00136 -0.00432 186 4XZ -0.00419 -0.00496 0.00568 -0.00708 -0.00279 187 4YZ 0.00053 -0.00852 0.00258 0.00567 -0.00325 188 23 H 1S -0.00005 0.01466 -0.03337 0.00000 0.00000 189 2S -0.00075 1.06693 -0.40212 -0.00001 -0.00007 56 57 58 59 60 V V V V V Eigenvalues -- 0.19772 0.20300 0.22881 0.23611 0.24269 1 1 C 1S 0.00900 0.05857 -0.01513 0.01034 0.00712 2 2S -0.03621 -0.13599 0.05890 -0.00292 0.00077 3 2PX -0.01196 0.02093 0.00032 0.04967 0.06870 4 2PY 0.01277 0.01847 -0.02956 -0.05793 0.09812 5 2PZ 0.02816 0.07634 0.02541 -0.02008 0.09169 6 3S -0.05658 -0.42258 0.20943 -0.49185 -0.42324 7 3PX 0.04404 0.39510 -0.02946 0.03038 0.24397 8 3PY 0.08892 0.33942 -0.20605 -0.27311 0.33920 9 3PZ 0.06017 0.60395 -0.09233 -0.10204 0.42543 10 4XX 0.00059 -0.00135 0.00293 -0.00345 -0.00451 11 4YY -0.00388 0.01273 0.00467 0.00661 0.01299 12 4ZZ 0.00042 -0.00281 -0.00175 -0.00601 -0.00899 13 4XY -0.00419 -0.00326 0.00698 -0.00146 -0.00908 14 4XZ -0.00139 -0.00016 0.00310 -0.00588 -0.01242 15 4YZ -0.00225 -0.00691 0.00326 0.00123 0.00232 16 2 C 1S 0.00900 -0.05857 -0.01512 -0.01034 0.00712 17 2S -0.03622 0.13599 0.05889 0.00292 0.00076 18 2PX -0.01195 -0.02094 0.00032 -0.04971 0.06866 19 2PY -0.01277 0.01848 0.02957 -0.05791 -0.09815 20 2PZ 0.02816 -0.07633 0.02541 0.02004 0.09163 21 3S -0.05663 0.42260 0.20931 0.49189 -0.42315 22 3PX 0.04410 -0.39509 -0.02949 -0.03048 0.24384 23 3PY -0.08896 0.33956 0.20609 -0.27305 -0.33926 24 3PZ 0.06023 -0.60390 -0.09233 0.10184 0.42525 25 4XX 0.00059 0.00135 0.00293 0.00345 -0.00451 26 4YY -0.00388 -0.01272 0.00467 -0.00661 0.01299 27 4ZZ 0.00042 0.00280 -0.00175 0.00601 -0.00899 28 4XY 0.00419 -0.00326 -0.00698 -0.00146 0.00908 29 4XZ -0.00138 0.00016 0.00310 0.00589 -0.01242 30 4YZ 0.00225 -0.00691 -0.00326 0.00123 -0.00231 31 3 C 1S -0.03052 0.05348 0.01375 -0.01869 0.04414 32 2S 0.04323 -0.08632 -0.01767 0.04378 -0.05050 33 2PX 0.01101 -0.00093 0.00244 0.02465 -0.03682 34 2PY 0.05152 -0.10986 -0.09691 -0.00659 0.18693 35 2PZ 0.01429 -0.00157 0.07656 0.00963 -0.19042 36 3S 0.45846 -0.53116 -0.24946 0.23469 -0.78715 37 3PX 0.11774 -0.07115 0.00370 0.38209 -0.21709 38 3PY 0.24766 -0.72516 -0.46547 0.09190 0.92326 39 3PZ 0.08137 0.08527 0.24914 0.03445 -0.84089 40 4XX -0.00320 -0.00112 0.00296 -0.00542 0.00220 41 4YY -0.00205 0.00461 -0.00280 0.00545 -0.00022 42 4ZZ -0.00168 0.00894 0.00263 -0.00162 0.00441 43 4XY 0.00205 0.00611 -0.00355 0.01081 -0.00140 44 4XZ -0.00275 0.00723 0.00845 -0.01200 0.00158 45 4YZ -0.00097 0.00099 0.00727 -0.00211 -0.00512 46 4 C 1S 0.01304 -0.06057 -0.03033 0.01377 -0.06142 47 2S -0.02078 0.09495 0.05563 -0.02945 0.05118 48 2PX -0.03110 -0.01284 0.10588 -0.29938 0.01823 49 2PY -0.00832 0.00087 0.06493 -0.01539 0.07069 50 2PZ 0.03357 0.03295 0.07398 0.13077 -0.09954 51 3S -0.24286 0.66966 0.47728 -0.12120 1.28349 52 3PX -0.05977 0.05714 0.48393 -1.18908 -0.09103 53 3PY -0.14228 0.13782 0.19362 -0.13330 0.33027 54 3PZ 0.06384 0.24747 0.33078 0.49723 -0.81945 55 4XX 0.00235 -0.00183 -0.01518 -0.00176 0.01034 56 4YY -0.00335 -0.01050 0.00252 0.00077 0.00189 57 4ZZ 0.00080 -0.00519 0.00881 0.00322 -0.02402 58 4XY -0.00134 0.00160 -0.01772 -0.00761 -0.00047 59 4XZ 0.00081 -0.00284 -0.00781 0.00144 -0.01384 60 4YZ -0.00611 0.00323 -0.00287 0.00410 0.01218 61 5 C 1S 0.01305 0.06057 -0.03032 -0.01376 -0.06140 62 2S -0.02079 -0.09495 0.05563 0.02944 0.05116 63 2PX -0.03110 0.01283 0.10587 0.29936 0.01830 64 2PY 0.00830 0.00088 -0.06496 -0.01537 -0.07079 65 2PZ 0.03358 -0.03295 0.07396 -0.13078 -0.09953 66 3S -0.24293 -0.66966 0.47716 0.12096 1.28322 67 3PX -0.05979 -0.05718 0.48390 1.18910 -0.09082 68 3PY 0.14220 0.13786 -0.19376 -0.13323 -0.33065 69 3PZ 0.06387 -0.24743 0.33071 -0.49712 -0.81939 70 4XX 0.00235 0.00183 -0.01518 0.00176 0.01034 71 4YY -0.00335 0.01050 0.00252 -0.00077 0.00190 72 4ZZ 0.00080 0.00520 0.00881 -0.00321 -0.02403 73 4XY 0.00134 0.00160 0.01772 -0.00761 0.00047 74 4XZ 0.00081 0.00284 -0.00780 -0.00144 -0.01384 75 4YZ 0.00611 0.00323 0.00287 0.00410 -0.01218 76 6 C 1S -0.03052 -0.05348 0.01375 0.01868 0.04414 77 2S 0.04322 0.08632 -0.01766 -0.04378 -0.05050 78 2PX 0.01101 0.00093 0.00245 -0.02466 -0.03683 79 2PY -0.05153 -0.10985 0.09691 -0.00654 -0.18688 80 2PZ 0.01429 0.00155 0.07659 -0.00959 -0.19045 81 3S 0.45846 0.53116 -0.24957 -0.23442 -0.78722 82 3PX 0.11771 0.07110 0.00377 -0.38208 -0.21721 83 3PY -0.24763 -0.72515 0.46542 0.09220 -0.92300 84 3PZ 0.08131 -0.08540 0.24926 -0.03425 -0.84099 85 4XX -0.00320 0.00113 0.00296 0.00542 0.00220 86 4YY -0.00205 -0.00461 -0.00279 -0.00545 -0.00022 87 4ZZ -0.00168 -0.00894 0.00262 0.00162 0.00441 88 4XY -0.00206 0.00611 0.00355 0.01081 0.00140 89 4XZ -0.00275 -0.00723 0.00845 0.01200 0.00159 90 4YZ 0.00097 0.00099 -0.00727 -0.00212 0.00511 91 7 H 1S -0.00959 0.01866 0.01218 -0.02154 -0.03809 92 2S 0.17261 1.03811 -0.22531 -0.06073 0.72517 93 8 H 1S -0.00959 -0.01866 0.01218 0.02155 -0.03808 94 2S 0.17274 -1.03814 -0.22533 0.06052 0.72497 95 9 H 1S -0.01808 0.06790 0.00167 0.02132 -0.00967 96 2S -0.47627 1.08991 0.63211 -0.17182 -0.74642 97 10 H 1S -0.00013 -0.02508 -0.12077 0.03224 0.02534 98 2S 0.16771 -0.45037 -1.03036 1.22649 -0.28709 99 11 H 1S -0.00012 0.02508 -0.12077 -0.03225 0.02531 100 2S 0.16775 0.45040 -1.03028 -1.22649 -0.28760 101 12 H 1S -0.01809 -0.06791 0.00167 -0.02131 -0.00969 102 2S -0.47624 -1.08990 0.63215 0.17202 -0.74634 103 13 H 1S -0.00473 0.01118 0.03974 0.02670 0.06574 104 2S -0.02470 0.52570 -0.10361 1.20366 0.08376 105 14 H 1S -0.00472 -0.01118 0.03975 -0.02672 0.06574 106 2S -0.02468 -0.52572 -0.10357 -1.20369 0.08367 107 15 C 1S 0.04182 0.03038 -0.00035 -0.00396 -0.01075 108 2S -0.08469 -0.07268 -0.02227 0.00833 0.01298 109 2PX -0.05173 -0.00311 -0.02248 0.02247 -0.00378 110 2PY 0.12672 0.03616 0.00688 -0.02654 -0.02177 111 2PZ -0.00519 0.08509 -0.00855 0.03443 -0.02701 112 3S -0.53996 -0.21790 0.07298 -0.01542 0.18131 113 3PX -0.08828 0.10872 0.04740 -0.00919 -0.02860 114 3PY 0.20086 0.38264 -0.05317 -0.08059 -0.06306 115 3PZ -0.03328 0.37447 0.00281 0.06885 -0.00094 116 4XX 0.00132 0.00560 -0.00473 -0.00671 -0.00380 117 4YY 0.00335 0.00683 0.00172 0.00169 0.00111 118 4ZZ 0.00172 -0.00097 0.00022 0.00122 0.00002 119 4XY -0.01154 0.00104 -0.00282 -0.00372 0.00426 120 4XZ -0.00065 0.00173 -0.00252 -0.00325 0.00118 121 4YZ -0.01108 -0.00490 -0.00438 -0.00103 -0.00160 122 16 C 1S 0.04180 -0.03038 -0.00035 0.00396 -0.01075 123 2S -0.08466 0.07268 -0.02227 -0.00833 0.01297 124 2PX -0.05172 0.00312 -0.02247 -0.02247 -0.00379 125 2PY -0.12671 0.03616 -0.00688 -0.02654 0.02176 126 2PZ -0.00523 -0.08509 -0.00856 -0.03442 -0.02703 127 3S -0.53976 0.21787 0.07305 0.01532 0.18138 128 3PX -0.08830 -0.10869 0.04743 0.00923 -0.02865 129 3PY -0.20090 0.38270 0.05318 -0.08061 0.06302 130 3PZ -0.03336 -0.37441 0.00280 -0.06885 -0.00101 131 4XX 0.00132 -0.00560 -0.00474 0.00671 -0.00380 132 4YY 0.00334 -0.00683 0.00172 -0.00169 0.00111 133 4ZZ 0.00173 0.00097 0.00022 -0.00122 0.00002 134 4XY 0.01154 0.00104 0.00282 -0.00372 -0.00426 135 4XZ -0.00065 -0.00172 -0.00252 0.00325 0.00118 136 4YZ 0.01108 -0.00490 0.00438 -0.00103 0.00160 137 17 C 1S -0.13282 0.00000 0.00662 0.00000 0.01030 138 2S 0.21011 0.00000 0.02133 0.00001 -0.03314 139 2PX -0.15665 0.00000 -0.02959 -0.00002 0.03792 140 2PY 0.00002 0.00203 0.00003 -0.12162 -0.00002 141 2PZ -0.15340 0.00000 -0.33565 0.00000 -0.14379 142 3S 1.81058 -0.00002 -0.42638 0.00004 -0.21198 143 3PX -0.64682 0.00000 0.08731 -0.00002 0.07292 144 3PY 0.00011 -0.15176 0.00008 -0.09320 0.00003 145 3PZ -0.60670 -0.00001 -0.96126 0.00001 -0.34981 146 4XX 0.01715 0.00000 -0.00423 0.00000 -0.00518 147 4YY -0.03106 0.00000 -0.00886 0.00000 -0.00535 148 4ZZ 0.00857 0.00000 0.02076 0.00000 0.00599 149 4XY 0.00000 0.00317 0.00000 -0.01283 0.00000 150 4XZ -0.02412 0.00000 -0.00910 0.00000 -0.00451 151 4YZ 0.00000 0.00102 0.00000 -0.00585 0.00000 152 18 H 1S -0.03839 -0.01577 -0.00970 0.00108 0.00209 153 2S 0.39858 -0.72288 -0.02386 -0.03196 -0.19440 154 19 H 1S 0.02872 0.00000 0.11751 0.00000 0.04406 155 2S -0.41027 0.00000 1.47484 -0.00006 0.62140 156 20 H 1S -0.03839 0.01577 -0.00970 -0.00108 0.00209 157 2S 0.39872 0.72291 -0.02381 0.03207 -0.19431 158 21 O 1S 0.03749 0.00430 0.01619 0.00883 0.00524 159 2S -0.03953 0.00494 -0.01846 -0.01044 -0.01016 160 2PX -0.15569 -0.01291 -0.08244 -0.02233 -0.00939 161 2PY -0.22881 0.01101 -0.09694 -0.05038 -0.02976 162 2PZ -0.14120 -0.05272 0.06629 0.01948 0.02142 163 3S -0.57337 -0.12540 -0.25938 -0.10850 -0.07790 164 3PX -0.29293 -0.01057 -0.10247 -0.00070 -0.00970 165 3PY -0.48974 -0.05531 -0.16629 -0.03396 -0.03096 166 3PZ -0.27039 -0.08391 0.09329 -0.00127 0.04679 167 4XX 0.01430 0.00336 0.00695 0.01039 0.00300 168 4YY 0.01411 0.00250 0.01073 0.00269 0.00060 169 4ZZ 0.01610 0.00484 -0.00058 0.00182 -0.00038 170 4XY 0.00568 0.00008 0.00764 0.00085 0.00249 171 4XZ -0.01375 -0.00552 -0.00622 0.00775 -0.00279 172 4YZ 0.00570 -0.00204 0.00120 0.00675 -0.00218 173 22 O 1S 0.03750 -0.00430 0.01620 -0.00883 0.00523 174 2S -0.03953 -0.00494 -0.01847 0.01044 -0.01015 175 2PX -0.15569 0.01291 -0.08243 0.02233 -0.00937 176 2PY 0.22885 0.01100 0.09693 -0.05036 0.02974 177 2PZ -0.14115 0.05272 0.06632 -0.01948 0.02141 178 3S -0.57345 0.12541 -0.25942 0.10847 -0.07785 179 3PX -0.29294 0.01057 -0.10246 0.00069 -0.00971 180 3PY 0.48982 -0.05532 0.16629 -0.03393 0.03094 181 3PZ -0.27030 0.08390 0.09333 0.00126 0.04679 182 4XX 0.01430 -0.00336 0.00695 -0.01038 0.00300 183 4YY 0.01412 -0.00250 0.01073 -0.00269 0.00059 184 4ZZ 0.01611 -0.00485 -0.00058 -0.00182 -0.00038 185 4XY -0.00567 0.00008 -0.00764 0.00085 -0.00249 186 4XZ -0.01375 0.00552 -0.00622 -0.00774 -0.00280 187 4YZ -0.00570 -0.00204 -0.00120 0.00675 0.00218 188 23 H 1S 0.05440 0.00000 -0.02911 0.00000 -0.01528 189 2S -0.30237 0.00001 -0.22112 0.00002 -0.13109 61 62 63 64 65 V V V V V Eigenvalues -- 0.24913 0.30440 0.31361 0.32662 0.37011 1 1 C 1S 0.00770 0.04918 -0.06115 -0.00223 -0.00127 2 2S -0.01976 -0.05119 0.03525 -0.00794 0.02211 3 2PX -0.06479 -0.02936 0.10790 -0.06937 0.02057 4 2PY -0.01801 -0.19977 -0.04489 0.03371 -0.03085 5 2PZ -0.15614 0.04038 0.10440 0.05969 0.00494 6 3S -0.14010 -1.39758 1.97726 -0.08303 -0.13827 7 3PX -0.35989 0.00151 0.90308 -0.13338 0.04289 8 3PY -0.17712 -1.37847 -0.73204 -0.09908 -0.22952 9 3PZ -0.57665 0.29820 0.79008 -0.00012 -0.03213 10 4XX -0.00610 -0.00237 -0.01764 0.01092 -0.00253 11 4YY 0.00104 0.02470 0.00741 -0.01042 0.00337 12 4ZZ 0.00482 -0.01758 -0.00116 -0.00624 0.00019 13 4XY 0.00240 -0.00353 0.02269 0.00381 0.00020 14 4XZ -0.00234 -0.01439 -0.01145 -0.00795 0.00113 15 4YZ 0.00641 0.00072 0.02428 -0.00019 -0.00158 16 2 C 1S -0.00770 -0.04919 -0.06115 0.00225 0.00127 17 2S 0.01975 0.05121 0.03525 0.00793 -0.02214 18 2PX 0.06480 0.02936 0.10795 0.06934 -0.02059 19 2PY -0.01807 -0.19977 0.04491 0.03372 -0.03084 20 2PZ 0.15617 -0.04039 0.10440 -0.05970 -0.00494 21 3S 0.13991 1.39774 1.97728 0.08254 0.13843 22 3PX 0.35993 -0.00152 0.90339 0.13316 -0.04286 23 3PY -0.17736 -1.37837 0.73197 -0.09928 -0.22946 24 3PZ 0.57675 -0.29831 0.79026 -0.00011 0.03211 25 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 26 4YY -0.00104 -0.02470 0.00743 0.01042 -0.00338 27 4ZZ -0.00483 0.01758 -0.00117 0.00624 -0.00019 28 4XY 0.00241 -0.00353 -0.02268 0.00382 0.00020 29 4XZ 0.00234 0.01439 -0.01145 0.00795 -0.00113 30 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 31 3 C 1S 0.00502 -0.05457 0.04994 -0.01185 0.00112 32 2S 0.01910 0.06380 -0.05070 0.01459 0.03164 33 2PX 0.03124 -0.03931 0.16616 -0.08604 0.01369 34 2PY -0.04679 -0.04805 0.13031 0.02963 -0.00220 35 2PZ -0.03011 0.15528 0.17507 0.02973 -0.00023 36 3S -0.41597 1.37430 -1.44226 0.20286 -0.12341 37 3PX 0.26621 -0.06243 1.06991 0.07193 -0.13149 38 3PY -0.13589 -0.13859 0.85982 0.07375 0.14663 39 3PZ 0.13958 0.67797 1.01354 0.10950 -0.14432 40 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00618 41 4YY -0.00719 0.02212 -0.00263 -0.00404 0.00162 42 4ZZ 0.00576 -0.01851 -0.00222 -0.00471 0.00847 43 4XY 0.01179 0.01093 0.01299 0.00593 0.00777 44 4XZ 0.00619 -0.01088 0.00237 0.00062 -0.00587 45 4YZ 0.01997 0.01501 0.01318 -0.00465 -0.00688 46 4 C 1S 0.04247 0.02516 0.01175 0.00099 -0.00753 47 2S -0.04861 -0.02437 -0.00765 -0.00884 -0.00491 48 2PX 0.03232 0.14620 0.02912 -0.00390 0.01000 49 2PY 0.32591 -0.14216 -0.07101 -0.06985 -0.01891 50 2PZ 0.12556 0.20178 0.02884 0.00692 -0.05849 51 3S -0.69561 -0.42734 -0.49252 -0.01378 0.20464 52 3PX 0.14513 0.58962 -0.15262 -0.00210 0.00976 53 3PY 1.37302 -0.47722 -0.29469 -0.28796 -0.14407 54 3PZ 0.45339 0.90100 0.04822 0.03201 -0.24747 55 4XX -0.01494 0.00164 -0.00572 0.00479 -0.00054 56 4YY 0.02628 -0.00810 0.01240 -0.00497 -0.00126 57 4ZZ -0.00596 0.01033 -0.00591 -0.00218 -0.00274 58 4XY 0.00264 0.00240 0.00663 0.00051 0.00135 59 4XZ -0.00094 0.01343 -0.00627 0.00209 0.01221 60 4YZ 0.00509 0.00512 -0.02347 -0.00169 -0.00199 61 5 C 1S -0.04250 -0.02516 0.01175 -0.00100 0.00753 62 2S 0.04863 0.02438 -0.00764 0.00884 0.00491 63 2PX -0.03231 -0.14622 0.02916 0.00390 -0.00997 64 2PY 0.32589 -0.14211 0.07101 -0.06987 -0.01892 65 2PZ -0.12553 -0.20180 0.02885 -0.00695 0.05848 66 3S 0.69614 0.42731 -0.49255 0.01385 -0.20478 67 3PX -0.14512 -0.58971 -0.15243 0.00212 -0.00972 68 3PY 1.37295 -0.47702 0.29471 -0.28801 -0.14405 69 3PZ -0.45345 -0.90109 0.04830 -0.03206 0.24752 70 4XX 0.01494 -0.00164 -0.00572 -0.00479 0.00054 71 4YY -0.02628 0.00810 0.01239 0.00497 0.00126 72 4ZZ 0.00595 -0.01033 -0.00591 0.00218 0.00275 73 4XY 0.00264 0.00240 -0.00663 0.00051 0.00136 74 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 75 4YZ 0.00508 0.00512 0.02348 -0.00169 -0.00198 76 6 C 1S -0.00500 0.05457 0.04993 0.01184 -0.00112 77 2S -0.01911 -0.06381 -0.05071 -0.01457 -0.03164 78 2PX -0.03125 0.03930 0.16616 0.08600 -0.01369 79 2PY -0.04684 -0.04805 -0.13034 0.02966 -0.00219 80 2PZ 0.03003 -0.15527 0.17503 -0.02975 0.00028 81 3S 0.41569 -1.37451 -1.44200 -0.20249 0.12339 82 3PX -0.26630 0.06247 1.06967 -0.07221 0.13156 83 3PY -0.13609 -0.13862 -0.86000 0.07400 0.14659 84 3PZ -0.13997 -0.67789 1.01337 -0.10973 0.14449 85 4XX -0.00287 0.00929 0.01014 -0.00493 0.00618 86 4YY 0.00718 -0.02213 -0.00262 0.00404 -0.00163 87 4ZZ -0.00575 0.01851 -0.00223 0.00471 -0.00847 88 4XY 0.01179 0.01092 -0.01299 0.00593 0.00777 89 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 90 4YZ 0.01997 0.01500 -0.01318 -0.00465 -0.00688 91 7 H 1S -0.00071 -0.06445 0.08430 -0.04225 0.00084 92 2S -0.70156 -0.13194 0.19508 -0.06229 -0.05954 93 8 H 1S 0.00069 0.06446 0.08430 0.04223 -0.00085 94 2S 0.70178 0.13200 0.19514 0.06223 0.05952 95 9 H 1S -0.04857 0.09266 -0.02682 -0.01841 -0.00914 96 2S 0.14683 -0.07475 -0.43587 -0.18353 -0.11054 97 10 H 1S -0.05918 0.00901 -0.03394 0.01517 0.03028 98 2S -0.65893 -0.47092 0.15178 0.11622 0.11300 99 11 H 1S 0.05919 -0.00900 -0.03393 -0.01516 -0.03028 100 2S 0.65878 0.47092 0.15166 -0.11623 -0.11302 101 12 H 1S 0.04856 -0.09266 -0.02680 0.01842 0.00911 102 2S -0.14702 0.07468 -0.43585 0.18361 0.11053 103 13 H 1S 0.03647 0.01799 -0.04194 -0.00550 0.02143 104 2S 0.53296 -0.09854 0.07688 -0.09641 -0.19823 105 14 H 1S -0.03644 -0.01800 -0.04193 0.00550 -0.02145 106 2S -0.53295 0.09860 0.07678 0.09642 0.19827 107 15 C 1S -0.00707 -0.00781 -0.00108 -0.02271 -0.11315 108 2S -0.00512 0.00678 -0.00359 -0.00750 0.12508 109 2PX -0.02771 0.03862 -0.00299 -0.12826 0.15939 110 2PY 0.04312 -0.00906 0.00521 0.24085 0.14950 111 2PZ 0.00631 -0.05659 0.01929 -0.08478 0.22713 112 3S 0.28467 0.08992 -0.02074 1.25383 2.60179 113 3PX -0.05050 0.02116 -0.03805 -0.70824 1.07729 114 3PY 0.29414 -0.17731 0.02093 1.79267 1.76998 115 3PZ 0.02156 -0.08852 -0.02236 -0.29506 0.98298 116 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 117 4YY -0.00599 -0.00272 0.00030 -0.02511 -0.02342 118 4ZZ 0.00244 -0.00104 0.00005 0.00402 0.01366 119 4XY 0.00176 0.00143 0.00387 0.00482 0.00227 120 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 121 4YZ 0.00089 0.00266 -0.00371 -0.00093 -0.00424 122 16 C 1S 0.00707 0.00781 -0.00108 0.02271 0.11315 123 2S 0.00511 -0.00678 -0.00358 0.00753 -0.12508 124 2PX 0.02771 -0.03865 -0.00296 0.12827 -0.15938 125 2PY 0.04312 -0.00905 -0.00516 0.24083 0.14952 126 2PZ -0.00632 0.05660 0.01930 0.08482 -0.22708 127 3S -0.28466 -0.08990 -0.02090 -1.25395 -2.60176 128 3PX 0.05049 -0.02117 -0.03790 0.70817 -1.07731 129 3PY 0.29414 -0.17733 -0.02061 1.79258 1.77019 130 3PZ -0.02152 0.08849 -0.02233 0.29537 -0.98259 131 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 132 4YY 0.00599 0.00271 0.00030 0.02512 0.02343 133 4ZZ -0.00244 0.00105 0.00006 -0.00402 -0.01367 134 4XY 0.00176 0.00143 -0.00387 0.00482 0.00227 135 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 136 4YZ 0.00090 0.00266 0.00372 -0.00092 -0.00423 137 17 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 138 2S -0.00001 0.00000 -0.02251 0.00001 0.00000 139 2PX 0.00000 0.00000 -0.00885 -0.00001 -0.00001 140 2PY 0.09116 0.07177 -0.00002 -0.03518 0.31617 141 2PZ -0.00002 0.00000 0.02878 -0.00001 0.00004 142 3S -0.00005 -0.00002 -0.05176 0.00002 0.00001 143 3PX 0.00001 0.00002 0.03582 -0.00004 0.00001 144 3PY -0.07857 0.09382 -0.00012 -0.95904 -0.10117 145 3PZ -0.00009 0.00000 0.05969 -0.00007 0.00000 146 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00190 0.00000 0.00000 149 4XY 0.00724 0.00631 0.00000 -0.00645 0.01098 150 4XZ 0.00000 0.00000 0.00288 0.00000 0.00000 151 4YZ 0.00156 0.00332 0.00000 -0.00986 0.01508 152 18 H 1S -0.00772 0.01326 -0.01278 -0.02447 0.06634 153 2S -0.09417 0.28200 0.02664 -0.34155 -0.96134 154 19 H 1S 0.00001 0.00000 0.00720 0.00000 0.00000 155 2S 0.00014 0.00003 -0.06135 -0.00002 -0.00002 156 20 H 1S 0.00772 -0.01326 -0.01278 0.02448 -0.06638 157 2S 0.09414 -0.28199 0.02674 0.34157 0.96148 158 21 O 1S -0.00212 0.00068 -0.00131 -0.01841 0.04211 159 2S 0.00233 -0.01331 -0.02279 0.05337 -0.03818 160 2PX 0.01728 0.03938 0.03683 -0.18593 0.17937 161 2PY 0.00796 0.02600 0.03325 -0.08112 -0.01778 162 2PZ -0.03255 0.00833 -0.01288 -0.15781 0.16676 163 3S 0.00720 0.01932 0.09574 0.17103 -0.92178 164 3PX -0.01093 0.04512 0.00249 -0.44745 0.39720 165 3PY -0.01791 0.03116 0.03090 -0.21298 -0.29201 166 3PZ -0.04112 0.04910 -0.00683 -0.41038 0.27618 167 4XX -0.00244 -0.00766 -0.00359 0.00467 0.02429 168 4YY -0.00397 -0.00385 -0.00885 -0.00902 -0.00077 169 4ZZ 0.00188 0.00047 -0.01008 0.00490 0.01834 170 4XY -0.00586 0.00004 0.00149 -0.02044 -0.02168 171 4XZ -0.00771 -0.00505 -0.00142 0.00121 -0.01204 172 4YZ -0.00537 -0.00456 -0.00267 -0.01789 -0.01720 173 22 O 1S 0.00212 -0.00068 -0.00131 0.01841 -0.04211 174 2S -0.00233 0.01331 -0.02281 -0.05337 0.03816 175 2PX -0.01729 -0.03937 0.03690 0.18593 -0.17937 176 2PY 0.00797 0.02599 -0.03328 -0.08113 -0.01774 177 2PZ 0.03255 -0.00833 -0.01285 0.15779 -0.16674 178 3S -0.00722 -0.01930 0.09573 -0.17095 0.92173 179 3PX 0.01091 -0.04512 0.00260 0.44743 -0.39719 180 3PY -0.01790 0.03116 -0.03095 -0.21305 -0.29192 181 3PZ 0.04113 -0.04909 -0.00673 0.41030 -0.27621 182 4XX 0.00244 0.00766 -0.00359 -0.00467 -0.02429 183 4YY 0.00397 0.00385 -0.00886 0.00902 0.00078 184 4ZZ -0.00188 -0.00047 -0.01008 -0.00491 -0.01835 185 4XY -0.00587 0.00004 -0.00149 -0.02044 -0.02169 186 4XZ 0.00771 0.00505 -0.00142 -0.00121 0.01204 187 4YZ -0.00536 -0.00456 0.00267 -0.01789 -0.01719 188 23 H 1S 0.00000 0.00000 -0.01419 0.00000 -0.00001 189 2S -0.00002 0.00000 0.04276 0.00001 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43215 0.47398 0.47794 0.49140 0.50827 1 1 C 1S 0.09297 -0.00199 0.03356 -0.00378 -0.00423 2 2S -0.03027 -0.05789 -0.01628 0.06458 -0.33218 3 2PX -0.04082 -0.09834 -0.16364 0.12699 -0.08402 4 2PY -0.15075 -0.04968 0.22078 -0.24795 -0.03552 5 2PZ -0.11611 0.12613 -0.11094 0.13645 -0.06455 6 3S -3.56246 0.18988 -1.45027 -0.00056 0.36872 7 3PX -1.02316 0.08271 -1.81167 -0.14151 0.06510 8 3PY -2.25570 -0.03259 1.70976 0.36898 0.01862 9 3PZ -1.26298 -0.11866 -1.45081 -0.15599 0.07966 10 4XX -0.00255 0.00698 0.01395 0.01028 -0.00995 11 4YY 0.00685 -0.00881 -0.02035 -0.02343 -0.04656 12 4ZZ -0.00742 -0.00205 -0.00210 0.01746 -0.01515 13 4XY 0.00892 0.00697 0.00315 -0.01909 0.00379 14 4XZ -0.00498 -0.00168 0.00251 0.01941 -0.03192 15 4YZ 0.00824 0.00592 0.00460 -0.01976 0.00084 16 2 C 1S -0.09297 -0.00202 -0.03356 -0.00378 -0.00423 17 2S 0.03024 -0.05786 0.01634 0.06458 -0.33218 18 2PX 0.04082 -0.09820 0.16374 0.12700 -0.08401 19 2PY -0.15074 0.04982 0.22075 0.24789 0.03555 20 2PZ 0.11607 0.12622 0.11090 0.13649 -0.06454 21 3S 3.56248 0.19123 1.44980 -0.00064 0.36882 22 3PX 1.02299 0.08403 1.81169 -0.14169 0.06521 23 3PY -2.25602 0.03351 1.70914 -0.36911 -0.01849 24 3PZ 1.26261 -0.11751 1.45099 -0.15612 0.07974 25 4XX 0.00255 0.00697 -0.01396 0.01029 -0.00995 26 4YY -0.00687 -0.00878 0.02035 -0.02344 -0.04655 27 4ZZ 0.00742 -0.00205 0.00211 0.01746 -0.01515 28 4XY 0.00892 -0.00696 0.00317 0.01908 -0.00379 29 4XZ 0.00498 -0.00168 -0.00250 0.01941 -0.03193 30 4YZ 0.00824 -0.00591 0.00461 0.01975 -0.00085 31 3 C 1S 0.08007 0.00724 0.04115 -0.00014 -0.00066 32 2S -0.05678 -0.09487 0.01179 0.02341 -0.13259 33 2PX -0.11019 -0.04991 0.05356 -0.24888 0.09749 34 2PY 0.12927 0.06157 0.05965 0.00818 0.00606 35 2PZ -0.14483 -0.02284 0.19039 -0.19369 0.07400 36 3S -2.35151 0.00743 -2.13690 0.15000 -0.00464 37 3PX 0.28477 0.04010 1.64540 0.47743 -0.05977 38 3PY 1.87574 -0.04063 0.91868 0.00702 0.10285 39 3PZ -0.57136 0.19534 1.79555 0.34719 -0.17747 40 4XX 0.00040 -0.00233 0.02196 0.01142 -0.00872 41 4YY 0.00201 0.01230 -0.00825 -0.00915 -0.00641 42 4ZZ -0.00842 -0.02264 -0.01412 -0.01044 -0.00569 43 4XY 0.01700 -0.01243 0.00694 0.02814 -0.01023 44 4XZ -0.01029 -0.00883 0.01370 0.01362 -0.02767 45 4YZ 0.00523 0.01338 0.01281 0.02801 -0.00006 46 4 C 1S -0.05781 -0.00521 -0.00860 0.00042 0.00110 47 2S -0.02158 -0.06902 0.00008 0.06014 0.00086 48 2PX 0.01445 -0.16218 0.01033 0.07811 0.21364 49 2PY 0.02799 0.05301 -0.18917 -0.29529 -0.02107 50 2PZ -0.08587 0.16462 0.15357 0.04031 -0.00815 51 3S 1.82647 0.05283 0.03556 -0.21151 0.08718 52 3PX -0.50862 0.23965 -0.06466 -0.13932 -0.28005 53 3PY -0.40592 -0.05099 -1.14329 0.30673 0.05904 54 3PZ -1.62438 -0.14292 0.40058 -0.03676 -0.01671 55 4XX 0.01907 -0.00219 -0.00424 -0.01280 0.00775 56 4YY 0.00215 -0.01655 -0.00721 0.06119 0.00619 57 4ZZ -0.02746 -0.00827 0.01038 -0.03539 -0.00308 58 4XY 0.00208 -0.02137 0.00249 0.01228 0.02778 59 4XZ -0.01027 -0.02769 -0.02007 -0.00815 0.04331 60 4YZ -0.00175 0.01508 -0.00795 0.01224 -0.00194 61 5 C 1S 0.05781 -0.00520 0.00860 0.00042 0.00110 62 2S 0.02158 -0.06904 -0.00004 0.06014 0.00085 63 2PX -0.01439 -0.16217 -0.01021 0.07812 0.21362 64 2PY 0.02796 -0.05317 -0.18913 0.29532 0.02107 65 2PZ 0.08585 0.16453 -0.15369 0.04039 -0.00816 66 3S -1.82653 0.05269 -0.03548 -0.21157 0.08717 67 3PX 0.50870 0.23977 0.06435 -0.13930 -0.28006 68 3PY -0.40618 0.05020 -1.14330 -0.30661 -0.05914 69 3PZ 1.62438 -0.14303 -0.40071 -0.03674 -0.01678 70 4XX -0.01907 -0.00220 0.00425 -0.01281 0.00775 71 4YY -0.00216 -0.01654 0.00721 0.06119 0.00619 72 4ZZ 0.02746 -0.00828 -0.01038 -0.03539 -0.00309 73 4XY 0.00208 0.02137 0.00246 -0.01227 -0.02779 74 4XZ 0.01028 -0.02767 0.02008 -0.00815 0.04330 75 4YZ -0.00175 -0.01509 -0.00794 -0.01222 0.00194 76 6 C 1S -0.08007 0.00720 -0.04116 -0.00014 -0.00067 77 2S 0.05680 -0.09486 -0.01170 0.02344 -0.13263 78 2PX 0.11022 -0.04993 -0.05357 -0.24888 0.09748 79 2PY 0.12928 -0.06149 0.05975 -0.00813 -0.00610 80 2PZ 0.14487 -0.02291 -0.19039 -0.19367 0.07396 81 3S 2.35151 0.00910 2.13711 0.14986 -0.00449 82 3PX -0.28451 0.03889 -1.64537 0.47754 -0.05991 83 3PY 1.87573 0.04141 0.91919 -0.00716 -0.10272 84 3PZ 0.57167 0.19414 -1.79573 0.34742 -0.17762 85 4XX -0.00039 -0.00234 -0.02196 0.01141 -0.00872 86 4YY -0.00201 0.01230 0.00824 -0.00914 -0.00641 87 4ZZ 0.00843 -0.02263 0.01413 -0.01045 -0.00570 88 4XY 0.01699 0.01243 0.00693 -0.02814 0.01023 89 4XZ 0.01030 -0.00884 -0.01369 0.01362 -0.02766 90 4YZ 0.00523 -0.01337 0.01282 -0.02801 0.00007 91 7 H 1S 0.04079 0.00363 0.03606 -0.01157 -0.07751 92 2S -1.03641 -0.07855 -0.42432 0.04198 -0.04277 93 8 H 1S -0.04079 0.00361 -0.03608 -0.01158 -0.07751 94 2S 1.03640 -0.07813 0.42438 0.04197 -0.04276 95 9 H 1S 0.08371 0.07551 -0.03347 -0.01001 -0.02071 96 2S -0.74065 0.00031 -0.21708 -0.02519 -0.07762 97 10 H 1S 0.05304 -0.08409 -0.07738 -0.02335 0.14641 98 2S 0.17295 -0.08895 0.11372 0.07996 0.02149 99 11 H 1S -0.05304 -0.08405 0.07747 -0.02336 0.14641 100 2S -0.17300 -0.08907 -0.11369 0.07996 0.02153 101 12 H 1S -0.08373 0.07550 0.03344 -0.01001 -0.02072 102 2S 0.74074 0.00056 0.21712 -0.02520 -0.07761 103 13 H 1S -0.05925 0.13993 -0.06622 -0.02997 -0.16998 104 2S -0.28282 -0.06704 0.03735 0.04891 0.06071 105 14 H 1S 0.05923 0.14000 0.06613 -0.02998 -0.17000 106 2S 0.28283 -0.06705 -0.03732 0.04892 0.06072 107 15 C 1S 0.00852 -0.00397 -0.00859 0.00100 -0.02782 108 2S -0.00019 -0.21679 0.06372 -0.08102 -0.01561 109 2PX -0.01227 0.05388 0.10258 -0.19434 0.16407 110 2PY -0.01546 -0.31620 -0.06947 0.02006 -0.20552 111 2PZ 0.02131 0.10330 0.11319 0.10980 0.29651 112 3S -0.24253 0.06159 -0.06720 0.02908 0.07287 113 3PX 0.06026 -0.04795 0.10801 0.22589 -0.16267 114 3PY -0.09762 0.42476 -0.15100 0.02415 0.19086 115 3PZ -0.03029 -0.22558 0.09977 -0.13213 -0.32435 116 4XX -0.00107 0.00758 0.00261 -0.00456 0.00943 117 4YY 0.00314 -0.07465 0.00907 -0.00701 -0.01804 118 4ZZ -0.00220 0.02591 -0.00883 -0.00180 -0.03211 119 4XY -0.00292 -0.00274 -0.00245 -0.01432 0.02749 120 4XZ -0.00122 -0.02769 -0.00469 -0.00537 -0.02621 121 4YZ -0.00143 -0.00264 0.00129 -0.02036 -0.00774 122 16 C 1S -0.00852 -0.00396 0.00860 0.00100 -0.02782 123 2S 0.00025 -0.21682 -0.06358 -0.08099 -0.01557 124 2PX 0.01230 0.05379 -0.10268 -0.19432 0.16413 125 2PY -0.01552 0.31618 -0.06967 -0.02003 0.20549 126 2PZ -0.02132 0.10322 -0.11328 0.10979 0.29657 127 3S 0.24253 0.06168 0.06714 0.02899 0.07283 128 3PX -0.06033 -0.04795 -0.10792 0.22588 -0.16274 129 3PY -0.09753 -0.42488 -0.15072 -0.02413 -0.19090 130 3PZ 0.03028 -0.22566 -0.09966 -0.13219 -0.32445 131 4XX 0.00107 0.00758 -0.00262 -0.00456 0.00943 132 4YY -0.00313 -0.07465 -0.00902 -0.00701 -0.01804 133 4ZZ 0.00219 0.02592 0.00882 -0.00179 -0.03210 134 4XY -0.00293 0.00274 -0.00244 0.01433 -0.02749 135 4XZ 0.00122 -0.02768 0.00471 -0.00537 -0.02622 136 4YZ -0.00143 0.00262 0.00129 0.02036 0.00774 137 17 C 1S 0.00000 0.01003 0.00000 0.00755 -0.01606 138 2S 0.00001 -0.36572 0.00012 -0.00662 0.09755 139 2PX -0.00001 0.37710 -0.00014 -0.13889 -0.28993 140 2PY -0.10849 -0.00002 0.00502 -0.00002 -0.00008 141 2PZ -0.00002 0.31847 -0.00012 0.05659 0.03661 142 3S -0.00004 0.91962 -0.00033 -0.07164 -0.12156 143 3PX 0.00001 -0.79879 0.00031 0.39800 0.43533 144 3PY 0.12651 0.00008 0.10548 0.00002 0.00016 145 3PZ 0.00003 -0.70948 0.00027 -0.12369 -0.34554 146 4XX 0.00000 -0.01088 0.00000 -0.02613 -0.03731 147 4YY 0.00000 0.03630 -0.00001 0.00517 0.00496 148 4ZZ 0.00000 -0.01433 0.00001 0.02865 0.01857 149 4XY -0.00485 0.00000 -0.00374 0.00000 0.00000 150 4XZ 0.00000 -0.01529 0.00001 0.01366 -0.00820 151 4YZ -0.00822 0.00000 -0.00878 0.00000 0.00000 152 18 H 1S -0.00192 -0.07804 0.02200 -0.08502 -0.19780 153 2S -0.07239 -0.02447 -0.02998 0.08752 -0.04200 154 19 H 1S 0.00000 0.03696 -0.00001 0.07931 0.08970 155 2S 0.00000 0.00395 0.00000 0.07714 0.24447 156 20 H 1S 0.00192 -0.07810 -0.02194 -0.08503 -0.19781 157 2S 0.07234 -0.02439 0.03001 0.08757 -0.04202 158 21 O 1S -0.00186 0.01080 0.00849 -0.00173 0.01452 159 2S 0.02441 0.05190 0.01338 -0.03074 -0.13458 160 2PX -0.04321 0.06612 0.01174 -0.02348 -0.00456 161 2PY -0.02801 0.08564 -0.04254 0.07259 -0.11350 162 2PZ 0.01784 0.04841 0.07971 0.00525 0.13831 163 3S 0.02144 -0.49434 -0.13222 0.07037 0.26338 164 3PX 0.00349 -0.04421 0.11391 -0.07303 -0.06753 165 3PY 0.01739 -0.33910 0.01462 -0.01393 0.01175 166 3PZ 0.00914 -0.00447 0.06745 0.07328 0.03819 167 4XX 0.00513 0.05356 0.01303 -0.00813 -0.01012 168 4YY 0.01150 -0.05522 0.01117 -0.01386 -0.02059 169 4ZZ 0.00652 0.04801 0.01699 -0.02074 -0.02275 170 4XY 0.00423 -0.02186 -0.00796 0.01260 -0.00406 171 4XZ 0.00977 -0.01923 0.01774 -0.01575 0.03914 172 4YZ 0.00900 -0.02333 0.00248 0.00083 -0.00756 173 22 O 1S 0.00186 0.01080 -0.00849 -0.00173 0.01452 174 2S -0.02441 0.05189 -0.01343 -0.03075 -0.13457 175 2PX 0.04322 0.06611 -0.01179 -0.02347 -0.00454 176 2PY -0.02800 -0.08568 -0.04249 -0.07259 0.11345 177 2PZ -0.01784 0.04833 -0.07976 0.00525 0.13835 178 3S -0.02137 -0.49429 0.13258 0.07039 0.26334 179 3PX -0.00348 -0.04427 -0.11389 -0.07305 -0.06758 180 3PY 0.01735 0.33912 0.01440 0.01392 -0.01173 181 3PZ -0.00915 -0.00444 -0.06744 0.07327 0.03815 182 4XX -0.00513 0.05355 -0.01307 -0.00813 -0.01012 183 4YY -0.01150 -0.05523 -0.01114 -0.01386 -0.02060 184 4ZZ -0.00653 0.04801 -0.01703 -0.02074 -0.02274 185 4XY 0.00423 0.02185 -0.00798 -0.01259 0.00407 186 4XZ -0.00977 -0.01924 -0.01773 -0.01576 0.03914 187 4YZ 0.00900 0.02331 0.00247 -0.00083 0.00757 188 23 H 1S 0.00000 0.05643 -0.00003 -0.11214 -0.14993 189 2S 0.00001 0.05054 -0.00002 -0.09430 -0.07491 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54651 0.54787 0.54867 0.56890 1 1 C 1S -0.00607 -0.00093 0.00968 -0.00166 -0.04594 2 2S -0.18013 0.02047 0.09813 0.18967 -0.09133 3 2PX 0.01257 -0.01988 0.01682 -0.19936 0.01975 4 2PY -0.18854 -0.05048 -0.00090 0.09630 0.23855 5 2PZ 0.04503 0.03835 -0.16420 0.26895 -0.07350 6 3S 0.37960 0.05814 -0.15579 -0.27822 0.97557 7 3PX 0.09671 0.01642 -0.00197 0.05817 0.66278 8 3PY 0.22965 0.14554 -0.03847 -0.19668 -0.32699 9 3PZ -0.04093 0.00564 0.14398 -0.27197 0.61395 10 4XX 0.01531 -0.00511 -0.00695 0.00161 0.01363 11 4YY -0.04920 0.01485 0.01374 0.04492 -0.06037 12 4ZZ 0.00327 -0.00258 0.02883 -0.01520 -0.00266 13 4XY 0.00935 -0.00424 0.03004 -0.01844 0.00515 14 4XZ -0.00373 0.00453 0.04120 -0.00976 -0.03636 15 4YZ 0.00031 -0.00407 0.03194 0.00164 0.00600 16 2 C 1S -0.00607 0.00089 0.00970 -0.00167 0.04595 17 2S -0.18012 -0.02067 0.09808 0.18969 0.09125 18 2PX 0.01260 0.01960 0.01690 -0.19936 -0.01984 19 2PY 0.18852 -0.05058 0.00078 -0.09629 0.23834 20 2PZ 0.04505 -0.03741 -0.16435 0.26896 0.07349 21 3S 0.37957 -0.05775 -0.15626 -0.27796 -0.97553 22 3PX 0.09667 -0.01629 -0.00233 0.05829 -0.66276 23 3PY -0.22969 0.14556 0.03870 0.19658 -0.32661 24 3PZ -0.04100 -0.00648 0.14376 -0.27181 -0.61398 25 4XX 0.01531 0.00514 -0.00693 0.00161 -0.01363 26 4YY -0.04920 -0.01486 0.01371 0.04492 0.06039 27 4ZZ 0.00327 0.00246 0.02883 -0.01520 0.00264 28 4XY -0.00936 -0.00410 -0.03005 0.01845 0.00517 29 4XZ -0.00374 -0.00471 0.04118 -0.00976 0.03635 30 4YZ -0.00032 -0.00394 -0.03196 -0.00162 0.00604 31 3 C 1S 0.00900 -0.00575 -0.00058 0.00297 -0.01427 32 2S -0.00225 0.04238 -0.05158 -0.00438 0.08393 33 2PX 0.10651 0.08813 -0.06937 -0.10131 -0.31266 34 2PY -0.03800 -0.07539 0.15474 0.08820 0.03796 35 2PZ -0.12381 0.08038 -0.04253 0.04522 -0.10982 36 3S -0.34150 -0.12759 0.16863 0.27550 1.12965 37 3PX -0.14064 -0.16538 0.18581 0.04796 0.09998 38 3PY 0.32857 0.13159 -0.27550 -0.41013 -0.75576 39 3PZ 0.35703 0.01499 0.02015 -0.03812 -0.21589 40 4XX 0.01346 0.00392 -0.02919 0.00073 -0.00195 41 4YY 0.01940 -0.00496 0.05564 -0.00811 0.01820 42 4ZZ -0.02597 0.00248 -0.03653 0.01747 0.00643 43 4XY 0.00179 0.00196 0.00003 -0.01283 0.00476 44 4XZ -0.01479 -0.00891 -0.00261 0.02606 0.04068 45 4YZ 0.03559 0.01208 -0.01254 -0.01921 -0.02385 46 4 C 1S 0.00315 0.00388 0.00069 0.00094 -0.00265 47 2S -0.11639 -0.04249 -0.06153 0.10018 0.11667 48 2PX 0.01450 0.10487 0.06328 -0.23233 -0.04363 49 2PY -0.07452 0.07345 0.19286 -0.06887 0.05776 50 2PZ 0.27262 0.11163 0.09722 -0.27158 -0.16939 51 3S 0.15262 0.28450 -0.17653 -0.21669 -0.56054 52 3PX 0.00034 0.04687 -0.11630 0.26156 0.31117 53 3PY 0.04474 -0.15891 -0.25131 0.12127 0.31061 54 3PZ -0.32945 -0.08348 -0.05801 0.35154 0.42699 55 4XX 0.00287 -0.01001 0.02629 -0.03058 -0.00336 56 4YY -0.00473 0.00945 -0.04665 0.02892 0.00367 57 4ZZ -0.01541 0.00900 -0.00708 0.01716 -0.00006 58 4XY -0.00623 -0.00241 0.02237 -0.01539 -0.00002 59 4XZ -0.02145 0.00647 0.00200 -0.01428 -0.01263 60 4YZ 0.00578 -0.00425 0.03322 0.01467 0.00833 61 5 C 1S 0.00315 -0.00388 0.00067 0.00095 0.00266 62 2S -0.11638 0.04281 -0.06141 0.10013 -0.11673 63 2PX 0.01454 -0.10538 0.06285 -0.23227 0.04363 64 2PY 0.07447 0.07429 -0.19254 0.06883 0.05797 65 2PZ 0.27260 -0.11221 0.09682 -0.27145 0.16957 66 3S 0.15259 -0.28397 -0.17756 -0.21647 0.56085 67 3PX 0.00029 -0.04610 -0.11649 0.26170 -0.31114 68 3PY -0.04468 -0.15997 0.25086 -0.12122 0.31034 69 3PZ -0.32940 0.08394 -0.05764 0.35152 -0.42713 70 4XX 0.00287 0.00988 0.02632 -0.03060 0.00335 71 4YY -0.00473 -0.00924 -0.04667 0.02893 -0.00364 72 4ZZ -0.01541 -0.00896 -0.00712 0.01716 0.00006 73 4XY 0.00624 -0.00230 -0.02238 0.01540 0.00000 74 4XZ -0.02145 -0.00650 0.00197 -0.01426 0.01263 75 4YZ -0.00578 -0.00412 -0.03324 -0.01467 0.00835 76 6 C 1S 0.00900 0.00575 -0.00055 0.00295 0.01424 77 2S -0.00229 -0.04213 -0.05175 -0.00429 -0.08397 78 2PX 0.10650 -0.08798 -0.06962 -0.10128 0.31267 79 2PY 0.03800 -0.07478 -0.15502 -0.08812 0.03802 80 2PZ -0.12380 -0.08014 -0.04279 0.04534 0.10986 81 3S -0.34144 0.12704 0.16871 0.27551 -1.12964 82 3PX -0.14058 0.16465 0.18654 0.04779 -0.10025 83 3PY -0.32860 0.13074 0.27583 0.41014 -0.75591 84 3PZ 0.35697 -0.01504 0.02038 -0.03812 0.21558 85 4XX 0.01346 -0.00379 -0.02920 0.00074 0.00198 86 4YY 0.01940 0.00472 0.05566 -0.00811 -0.01824 87 4ZZ -0.02598 -0.00231 -0.03654 0.01748 -0.00645 88 4XY -0.00179 0.00196 -0.00002 0.01282 0.00479 89 4XZ -0.01480 0.00894 -0.00259 0.02606 -0.04073 90 4YZ -0.03557 0.01205 0.01260 0.01920 -0.02387 91 7 H 1S -0.01089 0.01915 0.26200 -0.05830 -0.16829 92 2S -0.04799 0.06591 -0.11972 0.01459 0.20189 93 8 H 1S -0.01089 -0.02027 0.26198 -0.05829 0.16820 94 2S -0.04800 -0.06540 -0.12002 0.01471 -0.20185 95 9 H 1S 0.04052 -0.05801 0.26296 -0.01881 0.11256 96 2S -0.13431 -0.00593 -0.08619 0.20407 0.24334 97 10 H 1S -0.00179 -0.01487 0.15688 -0.13305 -0.08360 98 2S -0.01797 -0.15945 0.00904 0.10852 -0.22175 99 11 H 1S -0.00180 0.01409 0.15694 -0.13306 0.08353 100 2S -0.01798 0.15950 0.00974 0.10835 0.22176 101 12 H 1S 0.04051 0.05691 0.26315 -0.01886 -0.11283 102 2S -0.13429 0.00643 -0.08620 0.20411 -0.24330 103 13 H 1S 0.06252 0.00683 0.06228 0.05770 -0.06039 104 2S -0.05186 -0.04574 -0.01804 -0.02796 -0.01686 105 14 H 1S 0.06252 -0.00699 0.06226 0.05773 0.06036 106 2S -0.05187 0.04581 -0.01784 -0.02801 0.01687 107 15 C 1S -0.00947 -0.04599 -0.00679 -0.02128 -0.01973 108 2S 0.01715 0.04511 -0.16587 0.00770 0.08448 109 2PX 0.33527 -0.14607 -0.29044 0.00241 0.43696 110 2PY -0.06271 0.18029 -0.13217 -0.18585 -0.07058 111 2PZ -0.13060 0.03247 0.02863 0.07919 0.05742 112 3S -0.14357 1.08422 0.00949 -0.13999 0.12521 113 3PX -0.40235 0.68213 0.54268 0.13948 -0.89873 114 3PY 0.19287 0.72389 0.38352 0.35368 0.13450 115 3PZ 0.17601 0.27173 0.15272 -0.03196 -0.07785 116 4XX -0.02496 0.00940 -0.00439 0.00148 -0.01655 117 4YY 0.00107 -0.02162 -0.03095 -0.00916 0.00735 118 4ZZ 0.00250 0.00992 0.01538 -0.00812 -0.02196 119 4XY 0.02336 -0.01317 -0.04777 -0.00767 -0.00654 120 4XZ -0.01119 -0.01144 -0.01536 -0.02009 -0.02833 121 4YZ 0.02612 -0.01531 -0.00193 -0.00882 0.00055 122 16 C 1S -0.00947 0.04600 -0.00659 -0.02132 0.01973 123 2S 0.01711 -0.04448 -0.16605 0.00773 -0.08464 124 2PX 0.33524 0.14724 -0.28996 0.00229 -0.43695 125 2PY 0.06272 0.17988 0.13295 0.18567 -0.07064 126 2PZ -0.13057 -0.03256 0.02845 0.07923 -0.05754 127 3S -0.14360 -1.08428 0.00491 -0.13894 -0.12488 128 3PX -0.40245 -0.68423 0.54012 0.14009 0.89880 129 3PY -0.19279 0.72524 -0.38053 -0.35438 0.13466 130 3PZ 0.17597 -0.27213 0.15165 -0.03171 0.07796 131 4XX -0.02496 -0.00938 -0.00443 0.00148 0.01657 132 4YY 0.00107 0.02174 -0.03084 -0.00918 -0.00736 133 4ZZ 0.00249 -0.01000 0.01535 -0.00811 0.02194 134 4XY -0.02336 -0.01336 0.04771 0.00769 -0.00655 135 4XZ -0.01120 0.01148 -0.01529 -0.02010 0.02832 136 4YZ -0.02612 -0.01530 0.00185 0.00884 0.00058 137 17 C 1S -0.01517 0.00000 -0.00372 -0.02236 0.00000 138 2S 0.14632 -0.00018 0.13482 0.25073 -0.00002 139 2PX -0.06816 0.00026 -0.17710 -0.28052 -0.00002 140 2PY 0.00006 -0.85374 -0.00176 0.00042 -0.25678 141 2PZ -0.45832 0.00024 -0.22776 -0.30687 -0.00002 142 3S -0.30194 0.00033 -0.23427 -0.34777 0.00000 143 3PX 0.11576 -0.00102 0.63724 0.65830 0.00011 144 3PY -0.00011 1.46738 0.00301 -0.00076 0.53655 145 3PZ 0.94743 -0.00086 0.73268 0.94203 0.00007 146 4XX 0.02769 -0.00001 0.00807 0.01264 0.00000 147 4YY -0.03413 0.00005 -0.02567 -0.01946 0.00000 148 4ZZ -0.03184 -0.00003 0.00544 -0.02085 0.00000 149 4XY 0.00000 -0.04318 -0.00010 0.00002 -0.03029 150 4XZ 0.00050 -0.00006 0.03064 0.01631 0.00000 151 4YZ 0.00000 -0.05045 -0.00011 0.00002 -0.02428 152 18 H 1S 0.09107 0.08744 0.00236 -0.12373 0.04070 153 2S 0.08664 -0.39192 0.31269 0.18438 0.03442 154 19 H 1S -0.16538 0.00014 -0.13160 -0.22922 -0.00002 155 2S -0.22742 0.00023 -0.20236 -0.31208 0.00001 156 20 H 1S 0.09105 -0.08758 0.00195 -0.12367 -0.04081 157 2S 0.08668 0.39089 0.31435 0.18403 -0.03448 158 21 O 1S -0.00213 0.00737 0.00122 0.00433 0.00341 159 2S -0.14003 -0.09627 -0.01381 -0.15639 -0.07772 160 2PX 0.10177 -0.02698 -0.07669 0.02837 0.10069 161 2PY -0.15677 -0.21115 -0.04080 -0.11631 -0.14924 162 2PZ -0.08781 -0.05675 -0.03809 -0.04625 0.04629 163 3S 0.61746 0.27811 0.08368 0.56816 0.54559 164 3PX 0.00941 0.21865 0.05054 -0.01038 0.04128 165 3PY 0.19752 0.01620 0.02289 0.15429 0.09889 166 3PZ -0.12207 0.25844 0.06442 0.01211 -0.02139 167 4XX -0.04012 -0.02052 -0.01304 -0.03962 0.00345 168 4YY 0.00208 0.00011 0.02095 -0.00652 -0.01380 169 4ZZ -0.04405 -0.01483 -0.01061 -0.04206 0.00360 170 4XY -0.00354 0.05391 0.01845 0.01244 0.00359 171 4XZ 0.03601 0.01620 -0.01278 0.02841 0.05645 172 4YZ 0.00378 0.05922 0.02277 0.01765 -0.00434 173 22 O 1S -0.00213 -0.00738 0.00119 0.00433 -0.00341 174 2S -0.14003 0.09620 -0.01337 -0.15647 0.07769 175 2PX 0.10176 0.02733 -0.07662 0.02834 -0.10071 176 2PY 0.15679 -0.21125 0.03990 0.11651 -0.14930 177 2PZ -0.08781 0.05680 -0.03786 -0.04629 -0.04633 178 3S 0.61751 -0.27798 0.08234 0.56840 -0.54564 179 3PX 0.00940 -0.21884 0.04965 -0.01017 -0.04122 180 3PY -0.19751 0.01620 -0.02281 -0.15430 0.09889 181 3PZ -0.12211 -0.25869 0.06335 0.01233 0.02146 182 4XX -0.04012 0.02054 -0.01296 -0.03964 -0.00348 183 4YY 0.00208 -0.00022 0.02097 -0.00651 0.01380 184 4ZZ -0.04406 0.01485 -0.01055 -0.04208 -0.00360 185 4XY 0.00353 0.05398 -0.01823 -0.01250 0.00359 186 4XZ 0.03600 -0.01612 -0.01286 0.02842 -0.05647 187 4YZ -0.00377 0.05930 -0.02253 -0.01770 -0.00434 188 23 H 1S 0.06046 0.00017 -0.09404 -0.06858 -0.00002 189 2S 0.03875 0.00035 -0.19646 -0.13566 -0.00005 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60745 0.61336 0.61822 0.63632 1 1 C 1S 0.02300 -0.01984 0.00851 -0.02373 0.02650 2 2S -0.06299 0.14447 0.12634 -0.22297 -0.02182 3 2PX -0.22306 -0.05267 -0.48236 0.08577 0.26955 4 2PY 0.28146 -0.11540 -0.06869 -0.17280 -0.07862 5 2PZ -0.12528 0.25473 0.26133 0.06426 -0.15252 6 3S -0.04737 -0.00831 -0.11494 0.67912 -0.29958 7 3PX 0.19898 0.31585 0.61777 0.09427 -0.61325 8 3PY -0.30224 -0.24895 0.23417 0.19729 -0.08376 9 3PZ 0.02609 0.02185 -0.09247 0.11246 -0.09999 10 4XX -0.01057 -0.00315 -0.01416 -0.02516 0.02656 11 4YY 0.02676 0.01814 0.00208 -0.04655 0.01845 12 4ZZ 0.00416 -0.00135 0.06271 0.00918 -0.02957 13 4XY -0.01573 0.00193 -0.02491 -0.01469 -0.01089 14 4XZ 0.01702 -0.01537 0.04332 -0.03474 0.01491 15 4YZ -0.02141 0.00098 0.02860 -0.02743 0.00041 16 2 C 1S 0.02296 0.01987 0.00851 -0.02369 -0.02650 17 2S -0.06297 -0.14425 0.12627 -0.22320 0.02179 18 2PX -0.22302 0.05265 -0.48246 0.08587 -0.26942 19 2PY -0.28154 -0.11574 0.06865 0.17261 -0.07870 20 2PZ -0.12530 -0.25502 0.26130 0.06387 0.15241 21 3S -0.04664 0.00741 -0.11483 0.67899 0.29961 22 3PX 0.19957 -0.31615 0.61784 0.09367 0.61306 23 3PY 0.30255 -0.24844 -0.23440 -0.19772 -0.08367 24 3PZ 0.02666 -0.02197 -0.09252 0.11236 0.09997 25 4XX -0.01056 0.00318 -0.01417 -0.02515 -0.02656 26 4YY 0.02671 -0.01807 0.00208 -0.04659 -0.01844 27 4ZZ 0.00416 0.00132 0.06271 0.00919 0.02955 28 4XY 0.01573 0.00190 0.02490 0.01469 -0.01089 29 4XZ 0.01699 0.01541 0.04333 -0.03470 -0.01492 30 4YZ 0.02140 0.00096 -0.02862 0.02742 0.00042 31 3 C 1S -0.04632 -0.03207 0.00298 0.02859 -0.00126 32 2S 0.00216 -0.03530 0.14763 -0.06680 0.05541 33 2PX 0.02288 0.01909 -0.15831 -0.19095 -0.12203 34 2PY -0.11231 -0.11469 -0.06949 -0.08354 0.01314 35 2PZ 0.00263 -0.12877 0.05831 0.22800 0.47152 36 3S -0.11904 -0.08085 -0.47121 -0.23635 -0.47024 37 3PX -0.30234 -0.45328 0.09812 0.42853 0.18798 38 3PY 0.07609 0.24705 0.41836 0.77751 0.26968 39 3PZ -0.12581 -0.32245 -0.05064 -0.09706 -0.60597 40 4XX 0.02316 0.01960 0.01651 0.03106 0.01820 41 4YY -0.03216 -0.03852 0.02958 -0.03260 -0.01888 42 4ZZ -0.04535 -0.03160 -0.02862 0.01862 0.00443 43 4XY -0.03579 -0.02181 0.02097 0.01415 0.02063 44 4XZ -0.06396 -0.05134 -0.02247 0.00520 -0.01100 45 4YZ 0.01036 0.03621 -0.02630 -0.01173 -0.01808 46 4 C 1S 0.01476 0.00272 0.00445 -0.00858 0.02529 47 2S -0.12545 -0.14549 -0.01719 -0.02011 -0.23409 48 2PX 0.00917 0.09562 0.16361 0.06163 0.07821 49 2PY -0.24650 0.04682 0.05466 0.33685 0.31949 50 2PZ 0.33537 0.38625 0.05350 0.02750 -0.01516 51 3S 0.33018 0.51277 0.01893 -0.10214 1.00042 52 3PX 0.05106 -0.20247 -0.29575 -0.19856 -0.18663 53 3PY 0.35155 0.01321 -0.17837 -0.64563 -0.75638 54 3PZ -0.39498 -1.03862 -0.28655 -0.19859 -0.11171 55 4XX -0.00545 0.01703 0.02314 0.03490 -0.03159 56 4YY 0.01433 -0.00220 -0.02672 -0.06352 0.03134 57 4ZZ -0.00035 -0.02034 0.00270 0.00941 0.00901 58 4XY -0.01810 -0.00334 0.01065 -0.00903 -0.00516 59 4XZ -0.00125 -0.00805 0.00999 -0.01344 0.02599 60 4YZ -0.00829 0.00061 0.00252 -0.04211 -0.01763 61 5 C 1S 0.01476 -0.00270 0.00444 -0.00859 -0.02529 62 2S -0.12547 0.14548 -0.01704 -0.01986 0.23407 63 2PX 0.00923 -0.09575 0.16356 0.06152 -0.07830 64 2PY 0.24635 0.04752 -0.05453 -0.33675 0.31953 65 2PZ 0.33545 -0.38615 0.05336 0.02687 0.01529 66 3S 0.33012 -0.51248 0.01839 -0.10295 -1.00040 67 3PX 0.05117 0.20289 -0.29572 -0.19828 0.18683 68 3PY -0.35169 0.01186 0.17817 0.64569 -0.75649 69 3PZ -0.39506 1.03878 -0.28613 -0.19688 0.11157 70 4XX -0.00545 -0.01709 0.02315 0.03488 0.03158 71 4YY 0.01433 0.00231 -0.02673 -0.06353 -0.03133 72 4ZZ -0.00035 0.02032 0.00270 0.00945 -0.00901 73 4XY 0.01811 -0.00334 -0.01065 0.00902 -0.00515 74 4XZ -0.00125 0.00808 0.00997 -0.01343 -0.02601 75 4YZ 0.00829 0.00056 -0.00253 0.04209 -0.01763 76 6 C 1S -0.04635 0.03201 0.00300 0.02865 0.00125 77 2S 0.00219 0.03539 0.14761 -0.06678 -0.05546 78 2PX 0.02264 -0.01871 -0.15826 -0.19100 0.12213 79 2PY 0.11236 -0.11480 0.06943 0.08330 0.01323 80 2PZ 0.00261 0.12841 0.05821 0.22821 -0.47156 81 3S -0.11817 0.08118 -0.47110 -0.23631 0.47043 82 3PX -0.30247 0.45248 0.09821 0.42923 -0.18804 83 3PY -0.07561 0.24814 -0.41819 -0.77720 0.26976 84 3PZ -0.12621 0.32255 -0.05037 -0.09660 0.60605 85 4XX 0.02317 -0.01964 0.01650 0.03103 -0.01820 86 4YY -0.03218 0.03854 0.02960 -0.03255 0.01886 87 4ZZ -0.04536 0.03158 -0.02861 0.01867 -0.00444 88 4XY 0.03580 -0.02177 -0.02097 -0.01419 0.02065 89 4XZ -0.06396 0.05132 -0.02245 0.00527 0.01099 90 4YZ -0.01035 0.03617 0.02631 0.01177 -0.01809 91 7 H 1S 0.01133 -0.04057 0.20327 -0.23026 0.06939 92 2S -0.00004 0.13956 0.08627 0.12286 -0.16897 93 8 H 1S 0.01120 0.04082 0.20328 -0.23019 -0.06947 94 2S 0.00019 -0.13975 0.08625 0.12261 0.16893 95 9 H 1S -0.23782 -0.16241 0.10855 -0.05980 -0.02505 96 2S 0.00858 -0.03227 -0.24786 -0.31270 -0.05894 97 10 H 1S -0.01253 0.06810 0.15692 0.00617 0.03310 98 2S -0.01748 0.01852 0.09272 0.12529 0.13488 99 11 H 1S -0.01259 -0.06816 0.15689 0.00605 -0.03318 100 2S -0.01768 -0.01871 0.09271 0.12522 -0.13494 101 12 H 1S -0.23785 0.16236 0.10863 -0.05957 0.02498 102 2S 0.00877 0.03279 -0.24784 -0.31268 0.05907 103 13 H 1S 0.02453 -0.02255 0.06169 0.03829 -0.04345 104 2S 0.03052 -0.10395 0.06988 0.06533 -0.16980 105 14 H 1S 0.02448 0.02246 0.06170 0.03831 0.04345 106 2S 0.03048 0.10387 0.07002 0.06550 0.16983 107 15 C 1S -0.00534 0.01846 0.01199 -0.00896 0.01500 108 2S -0.34792 0.22848 0.13627 -0.21677 -0.14392 109 2PX -0.10751 0.17622 0.12783 -0.03990 0.01441 110 2PY 0.06059 -0.33695 0.16169 0.06916 -0.23775 111 2PZ -0.12506 0.23666 -0.04713 -0.12693 0.11714 112 3S 0.64529 -0.66091 0.03081 0.46113 0.68265 113 3PX 0.26560 -0.53528 -0.14779 0.14123 -0.17605 114 3PY -0.16189 0.33533 -0.39290 -0.20952 0.76956 115 3PZ 0.19574 -0.51824 -0.00423 0.06498 0.15664 116 4XX 0.01625 -0.02776 0.02563 0.00532 -0.05022 117 4YY -0.03598 0.06433 0.03865 -0.01180 0.04352 118 4ZZ -0.01959 -0.00799 -0.02288 -0.02913 -0.00401 119 4XY -0.01725 0.00330 0.01258 -0.01360 -0.00559 120 4XZ -0.01730 -0.00244 0.01811 -0.01522 0.00561 121 4YZ -0.04664 0.00513 0.00046 -0.05782 0.00840 122 16 C 1S -0.00534 -0.01846 0.01197 -0.00900 -0.01501 123 2S -0.34778 -0.22836 0.13623 -0.21706 0.14377 124 2PX -0.10719 -0.17630 0.12768 -0.04018 -0.01452 125 2PY -0.06032 -0.33674 -0.16200 -0.06965 -0.23760 126 2PZ -0.12490 -0.23651 -0.04724 -0.12721 -0.11715 127 3S 0.64538 0.66053 0.03087 0.46237 -0.68259 128 3PX 0.26497 0.53528 -0.14735 0.14221 0.17626 129 3PY 0.16139 0.33482 0.39340 0.20973 0.76930 130 3PZ 0.19562 0.51824 -0.00413 0.06571 -0.15650 131 4XX 0.01623 0.02775 0.02566 0.00535 0.05021 132 4YY -0.03594 -0.06435 0.03859 -0.01191 -0.04355 133 4ZZ -0.01960 0.00803 -0.02287 -0.02910 0.00402 134 4XY 0.01726 0.00329 -0.01258 0.01361 -0.00558 135 4XZ -0.01732 0.00244 0.01811 -0.01521 -0.00562 136 4YZ 0.04663 0.00505 -0.00044 0.05783 0.00839 137 17 C 1S 0.00669 0.00000 0.00312 0.00172 0.00000 138 2S -0.03521 0.00000 -0.00716 -0.03271 -0.00002 139 2PX -0.08795 -0.00004 0.02116 0.02728 -0.00001 140 2PY 0.00011 0.04615 0.00001 0.00009 0.00718 141 2PZ -0.04559 0.00008 0.08452 -0.12318 -0.00004 142 3S -0.01876 0.00001 -0.07425 0.07540 0.00007 143 3PX 0.46619 0.00007 -0.14468 0.05388 0.00007 144 3PY -0.00027 -0.09981 -0.00001 -0.00022 -0.07585 145 3PZ 0.29357 -0.00030 -0.34156 0.52028 0.00017 146 4XX 0.00063 0.00000 -0.01685 0.00843 0.00000 147 4YY -0.00668 -0.00001 0.01211 0.01985 -0.00001 148 4ZZ 0.00256 0.00001 0.01032 -0.02789 -0.00001 149 4XY 0.00001 -0.02052 0.00000 -0.00001 -0.01141 150 4XZ 0.03121 -0.00002 -0.01174 0.03021 0.00001 151 4YZ 0.00001 -0.00655 0.00000 0.00000 0.00526 152 18 H 1S -0.17103 -0.09502 0.00244 -0.28357 -0.20255 153 2S 0.04888 0.04659 -0.18009 0.01054 -0.24477 154 19 H 1S -0.08741 0.00009 0.10540 -0.19911 -0.00006 155 2S -0.05874 0.00012 0.14877 -0.19910 -0.00008 156 20 H 1S -0.17107 0.09536 0.00260 -0.28342 0.20249 157 2S 0.04880 -0.04657 -0.18003 0.01039 0.24492 158 21 O 1S 0.00312 -0.00518 0.00036 0.00267 -0.00253 159 2S -0.02579 0.02874 0.01998 -0.06328 0.05439 160 2PX -0.05926 0.07563 -0.00527 0.03000 0.01945 161 2PY 0.10312 -0.09283 0.03119 0.13868 -0.02636 162 2PZ -0.03149 0.05437 0.04677 -0.04795 -0.04088 163 3S -0.12425 0.39282 -0.09158 0.00235 -0.03953 164 3PX 0.10636 -0.16425 0.02298 0.05341 -0.02384 165 3PY -0.01752 0.07620 0.03010 -0.02709 -0.03781 166 3PZ 0.10303 -0.11050 0.00076 0.02974 -0.03691 167 4XX -0.03163 0.05000 -0.00149 -0.03263 0.03823 168 4YY -0.00101 -0.00500 0.00502 -0.02294 0.00361 169 4ZZ -0.00326 0.00953 0.00515 -0.01443 0.00613 170 4XY 0.01987 -0.01739 0.00224 0.02096 0.00112 171 4XZ -0.03224 0.05518 0.00746 -0.01453 0.01014 172 4YZ 0.00812 -0.01180 -0.00721 0.00977 0.00318 173 22 O 1S 0.00312 0.00518 0.00037 0.00268 0.00253 174 2S -0.02584 -0.02869 0.01994 -0.06335 -0.05443 175 2PX -0.05915 -0.07570 -0.00533 0.02990 -0.01945 176 2PY -0.10296 -0.09264 -0.03125 -0.13877 -0.02636 177 2PZ -0.03146 -0.05433 0.04676 -0.04804 0.04084 178 3S -0.12376 -0.39287 -0.09175 0.00183 0.03957 179 3PX 0.10637 0.16423 0.02307 0.05369 0.02385 180 3PY 0.01743 0.07620 -0.03008 0.02721 -0.03777 181 3PZ 0.10301 0.11052 0.00085 0.02996 0.03693 182 4XX -0.03161 -0.04997 -0.00152 -0.03271 -0.03824 183 4YY -0.00102 0.00503 0.00502 -0.02293 -0.00362 184 4ZZ -0.00326 -0.00952 0.00514 -0.01445 -0.00614 185 4XY -0.01986 -0.01736 -0.00225 -0.02098 0.00113 186 4XZ -0.03218 -0.05518 0.00743 -0.01461 -0.01015 187 4YZ -0.00812 -0.01179 0.00720 -0.00980 0.00318 188 23 H 1S -0.08738 -0.00001 -0.00096 -0.02266 -0.00001 189 2S -0.20523 -0.00007 0.09475 -0.00137 -0.00005 81 82 83 84 85 V V V V V Eigenvalues -- 0.66310 0.67864 0.71284 0.72295 0.74095 1 1 C 1S -0.04388 0.04067 -0.02180 -0.00064 0.02250 2 2S 0.18407 0.01604 -0.19119 0.03961 -0.11335 3 2PX 0.42796 0.01939 -0.02960 -0.14868 0.36923 4 2PY 0.24113 -0.19973 -0.19007 0.00922 -0.10196 5 2PZ -0.16978 0.06709 0.12736 0.11291 -0.23462 6 3S -0.68046 0.05566 -0.49763 0.33125 0.36105 7 3PX -0.68503 -0.02033 -0.17959 0.43570 -0.95731 8 3PY -0.61386 -0.00950 0.28712 -0.08034 0.15879 9 3PZ 0.27641 -0.18099 -0.44527 -0.17950 0.40935 10 4XX 0.01811 0.00021 -0.01717 -0.00203 -0.00082 11 4YY -0.05570 0.03384 -0.03661 0.00924 0.01787 12 4ZZ -0.00473 0.01635 -0.01256 0.00319 -0.01677 13 4XY 0.00622 0.00961 0.05105 -0.03840 -0.00901 14 4XZ -0.04064 0.04480 -0.05957 0.00287 0.01296 15 4YZ 0.01271 0.00701 0.03754 -0.01360 -0.00664 16 2 C 1S 0.04388 -0.04067 -0.02181 -0.00064 -0.02248 17 2S -0.18410 -0.01607 -0.19119 0.03960 0.11323 18 2PX -0.42797 -0.01939 -0.02957 -0.14846 -0.36928 19 2PY 0.24117 -0.19970 0.19012 -0.00926 -0.10213 20 2PZ 0.16984 -0.06712 0.12742 0.11275 0.23446 21 3S 0.68051 -0.05554 -0.49749 0.33114 -0.36035 22 3PX 0.68507 0.02034 -0.17948 0.43513 0.95752 23 3PY -0.61394 -0.00952 -0.28709 0.08034 0.15921 24 3PZ -0.27653 0.18102 -0.44519 -0.17935 -0.40912 25 4XX -0.01811 -0.00021 -0.01719 -0.00202 0.00082 26 4YY 0.05568 -0.03385 -0.03658 0.00923 -0.01785 27 4ZZ 0.00474 -0.01635 -0.01256 0.00319 0.01676 28 4XY 0.00623 0.00961 -0.05105 0.03841 -0.00900 29 4XZ 0.04064 -0.04480 -0.05959 0.00288 -0.01293 30 4YZ 0.01271 0.00701 -0.03755 0.01361 -0.00661 31 3 C 1S -0.01596 -0.00039 0.01540 0.00176 -0.01016 32 2S 0.13209 -0.19969 -0.31509 -0.15329 -0.06539 33 2PX -0.20694 0.02793 0.22090 0.27914 0.33066 34 2PY -0.09183 0.21998 0.38860 -0.10224 -0.03093 35 2PZ -0.16102 0.02601 0.03742 -0.57873 -0.07876 36 3S -0.52262 0.56523 0.75182 0.51762 -0.17555 37 3PX -0.05443 -0.06059 -0.79468 -0.18611 -0.62087 38 3PY 0.31405 -0.59564 -0.95184 0.28831 0.04426 39 3PZ 0.20167 -0.12225 -0.14085 1.37175 0.13422 40 4XX 0.03425 -0.01573 -0.00042 0.00461 0.00739 41 4YY -0.02155 -0.01496 0.02478 -0.04486 0.00826 42 4ZZ -0.01796 0.02116 -0.01896 0.02191 -0.03449 43 4XY -0.01044 -0.01117 -0.00612 -0.01329 -0.01581 44 4XZ -0.03370 -0.00782 0.01104 0.00162 -0.00902 45 4YZ -0.02062 -0.02494 0.01128 -0.01105 0.00452 46 4 C 1S -0.01274 -0.02764 0.00405 -0.02146 0.00406 47 2S 0.06128 0.31580 -0.10738 0.11678 -0.02069 48 2PX 0.07089 0.01415 -0.09431 -0.04702 -0.06435 49 2PY -0.29694 -0.45368 -0.08263 0.29176 -0.06664 50 2PZ 0.12000 -0.24320 -0.14119 -0.10987 0.12053 51 3S -0.24889 -1.09506 0.30036 -0.91144 -0.10642 52 3PX -0.11562 0.11554 0.30566 0.18913 0.20517 53 3PY 0.62613 1.47144 0.38860 -0.66716 0.24665 54 3PZ -0.33572 0.97879 0.40941 0.37645 -0.37359 55 4XX 0.01800 0.00983 -0.02290 0.03437 0.00570 56 4YY -0.02988 -0.03743 0.01016 -0.01434 -0.00688 57 4ZZ 0.00502 0.02597 0.00643 -0.04539 0.00188 58 4XY -0.00145 -0.00092 -0.01800 0.02753 -0.00016 59 4XZ -0.00003 0.01833 -0.01214 -0.00579 -0.00858 60 4YZ 0.00860 0.00200 0.06656 -0.00366 0.00243 61 5 C 1S 0.01274 0.02764 0.00405 -0.02147 -0.00408 62 2S -0.06128 -0.31581 -0.10736 0.11677 0.02068 63 2PX -0.07091 -0.01417 -0.09441 -0.04703 0.06435 64 2PY -0.29693 -0.45375 0.08267 -0.29169 -0.06685 65 2PZ -0.12001 0.24317 -0.14122 -0.10981 -0.12080 66 3S 0.24887 1.09504 0.30026 -0.91141 0.10573 67 3PX 0.11571 -0.11550 0.30597 0.18916 -0.20511 68 3PY 0.62611 1.47167 -0.38883 0.66704 0.24701 69 3PZ 0.33572 -0.97861 0.40949 0.37620 0.37450 70 4XX -0.01799 -0.00983 -0.02291 0.03437 -0.00569 71 4YY 0.02988 0.03743 0.01017 -0.01434 0.00687 72 4ZZ -0.00502 -0.02596 0.00642 -0.04539 -0.00193 73 4XY -0.00144 -0.00091 0.01800 -0.02754 -0.00018 74 4XZ 0.00004 -0.01834 -0.01216 -0.00580 0.00856 75 4YZ 0.00862 0.00202 -0.06657 0.00367 0.00237 76 6 C 1S 0.01596 0.00039 0.01539 0.00176 0.01016 77 2S -0.13205 0.19970 -0.31511 -0.15333 0.06511 78 2PX 0.20702 -0.02790 0.22079 0.27932 -0.33097 79 2PY -0.09183 0.21999 -0.38860 0.10235 -0.03107 80 2PZ 0.16098 -0.02596 0.03732 -0.57874 0.07826 81 3S 0.52247 -0.56530 0.75212 0.51738 0.17608 82 3PX 0.05431 0.06055 -0.79463 -0.18629 0.62155 83 3PY 0.31393 -0.59574 0.95201 -0.28868 0.04444 84 3PZ -0.20153 0.12220 -0.14069 1.37175 -0.13292 85 4XX -0.03425 0.01573 -0.00042 0.00462 -0.00740 86 4YY 0.02155 0.01496 0.02479 -0.04487 -0.00829 87 4ZZ 0.01796 -0.02116 -0.01896 0.02189 0.03449 88 4XY -0.01044 -0.01117 0.00614 0.01329 -0.01577 89 4XZ 0.03369 0.00782 0.01104 0.00162 0.00899 90 4YZ -0.02062 -0.02494 -0.01127 0.01104 0.00453 91 7 H 1S -0.15108 0.17445 -0.03565 -0.04063 0.03729 92 2S -0.04249 -0.24959 -0.17663 0.10227 -0.11766 93 8 H 1S 0.15106 -0.17446 -0.03563 -0.04062 -0.03716 94 2S 0.04251 0.24960 -0.17656 0.10218 0.11764 95 9 H 1S -0.14272 -0.13521 0.05761 -0.09197 0.02549 96 2S 0.00284 0.13454 0.31149 -0.05835 -0.02084 97 10 H 1S -0.02425 -0.14079 -0.07594 0.01293 0.05501 98 2S -0.07944 -0.35723 -0.19634 -0.08531 -0.07317 99 11 H 1S 0.02424 0.14079 -0.07600 0.01299 -0.05510 100 2S 0.07944 0.35722 -0.19648 -0.08527 0.07302 101 12 H 1S 0.14270 0.13520 0.05760 -0.09198 -0.02560 102 2S -0.00287 -0.13457 0.31151 -0.05839 0.02093 103 13 H 1S 0.02140 0.19717 0.07246 -0.18928 0.00213 104 2S 0.05693 0.36655 -0.28872 0.09152 -0.09163 105 14 H 1S -0.02139 -0.19718 0.07243 -0.18923 -0.00227 106 2S -0.05688 -0.36651 -0.28868 0.09142 0.09135 107 15 C 1S 0.00159 0.01346 0.00635 -0.01662 0.00627 108 2S -0.09430 -0.02716 -0.16166 -0.11902 0.33760 109 2PX -0.29354 0.08902 0.01229 -0.09401 0.31941 110 2PY -0.09443 -0.20693 0.16817 0.02561 0.38119 111 2PZ 0.10989 0.05380 -0.22050 0.06957 0.00962 112 3S 0.51542 0.34681 0.49896 0.50447 -1.87027 113 3PX 0.68355 -0.25181 0.15935 0.02804 -1.00567 114 3PY 0.32280 0.69180 -0.37807 -0.19762 -1.04135 115 3PZ -0.05507 0.03168 0.45953 0.00672 -0.60761 116 4XX -0.01615 -0.03512 0.03093 -0.02276 0.01324 117 4YY 0.01972 0.03974 0.00459 -0.01105 -0.05512 118 4ZZ 0.00311 0.00451 -0.03592 0.00308 0.02735 119 4XY -0.00431 -0.00343 -0.03108 -0.02834 0.01762 120 4XZ 0.00650 -0.00721 0.00864 -0.00055 -0.00377 121 4YZ -0.00049 0.00723 0.00741 -0.00894 0.00472 122 16 C 1S -0.00159 -0.01346 0.00635 -0.01662 -0.00627 123 2S 0.09424 0.02711 -0.16162 -0.11899 -0.33768 124 2PX 0.29348 -0.08903 0.01225 -0.09390 -0.31918 125 2PY -0.09443 -0.20690 -0.16820 -0.02567 0.38115 126 2PZ -0.10988 -0.05385 -0.22043 0.06948 -0.00966 127 3S -0.51520 -0.34679 0.49868 0.50436 1.87030 128 3PX -0.68351 0.25186 0.15938 0.02780 1.00537 129 3PY 0.32288 0.69176 0.37841 0.19753 -1.04138 130 3PZ 0.05513 -0.03154 0.45935 0.00692 0.60745 131 4XX 0.01614 0.03512 0.03093 -0.02276 -0.01323 132 4YY -0.01972 -0.03975 0.00457 -0.01105 0.05512 133 4ZZ -0.00312 -0.00452 -0.03592 0.00309 -0.02737 134 4XY -0.00430 -0.00343 0.03108 0.02833 0.01760 135 4XZ -0.00650 0.00721 0.00865 -0.00055 0.00373 136 4YZ -0.00048 0.00722 -0.00740 0.00894 0.00478 137 17 C 1S 0.00000 0.00000 -0.00783 -0.00063 0.00001 138 2S -0.00001 -0.00003 -0.02801 0.03199 0.00007 139 2PX 0.00001 0.00000 -0.14182 0.04279 -0.00004 140 2PY -0.00687 -0.11704 -0.00003 0.00000 -0.00311 141 2PZ -0.00002 -0.00002 0.19909 -0.00988 0.00003 142 3S 0.00004 0.00006 0.07509 -0.03188 -0.00017 143 3PX -0.00002 0.00001 0.55935 -0.11966 0.00002 144 3PY 0.02797 0.23136 0.00002 0.00001 -0.09596 145 3PZ 0.00009 0.00006 -0.30155 0.09419 -0.00017 146 4XX 0.00000 0.00000 -0.01678 0.00896 0.00001 147 4YY 0.00000 0.00000 0.00978 0.02204 0.00002 148 4ZZ 0.00000 0.00000 0.00297 -0.01696 0.00000 149 4XY 0.01309 -0.01827 0.00000 0.00000 -0.02573 150 4XZ 0.00001 0.00000 0.03377 0.01113 -0.00001 151 4YZ 0.00173 -0.01540 0.00000 0.00000 -0.01045 152 18 H 1S -0.02604 -0.17402 0.04819 -0.06170 -0.07854 153 2S -0.06705 -0.13574 0.01392 -0.06299 0.39562 154 19 H 1S -0.00004 -0.00001 -0.08946 -0.09400 0.00006 155 2S -0.00004 -0.00003 0.25173 0.00812 0.00013 156 20 H 1S 0.02597 0.17401 0.04822 -0.06177 0.07841 157 2S 0.06707 0.13579 0.01409 -0.06308 -0.39552 158 21 O 1S 0.00051 -0.00501 0.00676 0.00640 -0.00806 159 2S 0.03359 0.00153 -0.02275 0.00862 -0.04021 160 2PX -0.05324 0.09545 -0.18953 -0.02526 0.09270 161 2PY 0.02605 -0.10259 0.10303 0.06959 -0.07011 162 2PZ 0.00899 -0.10323 0.08255 0.01065 -0.05265 163 3S -0.25051 0.25292 -0.28663 -0.18771 0.61531 164 3PX 0.04278 -0.08563 0.22147 0.10725 -0.24808 165 3PY -0.05046 0.05908 -0.07821 -0.06085 0.16550 166 3PZ 0.06205 0.02942 0.03332 0.01417 -0.09701 167 4XX 0.00802 0.02370 -0.04353 0.00609 -0.00327 168 4YY 0.00429 -0.01189 -0.00047 -0.00068 0.00728 169 4ZZ 0.00240 0.00407 0.00699 0.00568 -0.02207 170 4XY 0.00576 0.00622 0.00992 0.00274 -0.02695 171 4XZ -0.01986 0.01616 -0.02285 -0.00366 0.03066 172 4YZ 0.02323 0.00582 0.00950 0.01709 -0.04016 173 22 O 1S -0.00051 0.00501 0.00676 0.00639 0.00806 174 2S -0.03362 -0.00156 -0.02275 0.00862 0.04026 175 2PX 0.05323 -0.09546 -0.18955 -0.02523 -0.09261 176 2PY 0.02601 -0.10262 -0.10304 -0.06958 -0.07014 177 2PZ -0.00900 0.10320 0.08258 0.01060 0.05269 178 3S 0.25048 -0.25291 -0.28662 -0.18763 -0.61528 179 3PX -0.04274 0.08564 0.22149 0.10720 0.24799 180 3PY -0.05042 0.05911 0.07817 0.06085 0.16545 181 3PZ -0.06205 -0.02940 0.03333 0.01415 0.09698 182 4XX -0.00803 -0.02372 -0.04354 0.00609 0.00329 183 4YY -0.00430 0.01188 -0.00046 -0.00068 -0.00725 184 4ZZ -0.00240 -0.00408 0.00698 0.00567 0.02207 185 4XY 0.00575 0.00622 -0.00990 -0.00274 -0.02695 186 4XZ 0.01985 -0.01616 -0.02284 -0.00365 -0.03065 187 4YZ 0.02322 0.00582 -0.00950 -0.01708 -0.04017 188 23 H 1S -0.00002 -0.00001 -0.21863 -0.02975 0.00007 189 2S 0.00001 -0.00001 -0.28119 0.08711 -0.00001 86 87 88 89 90 V V V V V Eigenvalues -- 0.75192 0.77534 0.79576 0.79876 0.81066 1 1 C 1S 0.02613 0.00434 0.01011 0.00283 0.00893 2 2S -0.18332 -0.00530 0.02128 0.10209 -0.01159 3 2PX 0.00028 -0.01310 0.15230 0.00890 0.07066 4 2PY 0.17749 0.09374 0.07401 0.41312 0.05466 5 2PZ -0.20891 -0.05862 -0.01456 -0.05187 0.00630 6 3S 0.63210 0.79589 -0.00342 -1.19727 0.04471 7 3PX 0.02032 0.23362 -0.20459 -0.73955 -0.09390 8 3PY -0.45076 -0.33678 -0.08803 -0.93627 -0.05501 9 3PZ 0.28677 0.28223 -0.06350 -0.46199 -0.08813 10 4XX 0.01613 0.00729 0.01226 0.02297 -0.00286 11 4YY 0.00605 0.01564 -0.00023 -0.05609 -0.00166 12 4ZZ -0.01694 -0.00735 -0.00271 0.02453 0.01068 13 4XY 0.00138 -0.03614 0.02548 -0.00657 0.01299 14 4XZ 0.03198 0.01439 0.02371 0.01564 0.01700 15 4YZ -0.01575 -0.05236 0.02056 -0.01726 0.01238 16 2 C 1S 0.02615 0.00435 0.01011 -0.00282 0.00894 17 2S -0.18350 -0.00536 0.02147 -0.10193 -0.01162 18 2PX 0.00053 -0.01314 0.15232 -0.00860 0.07073 19 2PY -0.17726 -0.09375 -0.07461 0.41302 -0.05457 20 2PZ -0.20914 -0.05863 -0.01461 0.05197 0.00626 21 3S 0.63302 0.79609 -0.00545 1.19714 0.04476 22 3PX 0.01992 0.23379 -0.20572 0.73920 -0.09415 23 3PY 0.45043 0.33678 0.08945 -0.93634 0.05480 24 3PZ 0.28752 0.28229 -0.06435 0.46165 -0.08801 25 4XX 0.01612 0.00730 0.01228 -0.02297 -0.00287 26 4YY 0.00608 0.01561 -0.00030 0.05610 -0.00165 27 4ZZ -0.01695 -0.00734 -0.00268 -0.02452 0.01067 28 4XY -0.00137 0.03614 -0.02548 -0.00659 -0.01299 29 4XZ 0.03200 0.01441 0.02371 -0.01560 0.01700 30 4YZ 0.01575 0.05237 -0.02054 -0.01726 -0.01239 31 3 C 1S -0.00364 0.00522 -0.00443 0.01244 -0.00368 32 2S -0.17615 0.08608 0.11683 -0.14757 -0.00321 33 2PX -0.41642 -0.21924 0.10453 0.33550 0.05389 34 2PY 0.22977 -0.15294 -0.07252 -0.01591 -0.06662 35 2PZ -0.27836 -0.08728 -0.02458 -0.12339 -0.05961 36 3S 0.19680 -0.49502 0.00109 -0.06545 0.15974 37 3PX 0.69235 0.69112 -0.20464 -0.06815 -0.08200 38 3PY -0.47386 0.59551 -0.02719 0.41761 0.08679 39 3PZ 0.77508 0.49097 0.10574 0.62826 0.13126 40 4XX -0.02388 0.01242 -0.01284 -0.01375 0.00267 41 4YY -0.00044 -0.00934 0.02463 -0.03467 0.00558 42 4ZZ -0.00087 -0.00543 -0.00013 0.03133 -0.01206 43 4XY -0.03313 -0.02530 0.01051 0.02776 -0.00233 44 4XZ -0.03611 0.00901 0.00064 -0.01369 0.00640 45 4YZ -0.01605 -0.00940 0.00113 0.00123 0.00264 46 4 C 1S -0.01431 -0.00144 0.01022 -0.00336 0.00155 47 2S -0.07870 -0.05380 0.08824 0.05471 0.13033 48 2PX 0.00165 0.01212 -0.00062 0.02168 0.23558 49 2PY 0.08155 0.14038 -0.03150 0.15104 0.02896 50 2PZ -0.19756 -0.00081 0.01153 -0.04049 -0.00145 51 3S -0.21513 -0.31014 -0.24940 0.06172 -0.33394 52 3PX 0.06470 -0.22123 0.12640 -0.26979 -0.25752 53 3PY -0.03242 -0.42765 -0.07785 -0.90878 -0.14215 54 3PZ 0.71011 0.01454 -0.13322 0.16110 -0.05170 55 4XX -0.00973 0.01239 0.01481 0.03259 -0.00059 56 4YY -0.00113 -0.03906 -0.00641 0.01820 0.00522 57 4ZZ -0.02404 0.00850 0.01132 -0.04474 0.01800 58 4XY -0.00159 0.01427 -0.05797 0.01101 -0.06474 59 4XZ -0.01086 -0.03284 -0.02175 0.05819 -0.03919 60 4YZ 0.06529 -0.02028 0.01704 -0.00413 0.01548 61 5 C 1S -0.01430 -0.00144 0.01021 0.00337 0.00155 62 2S -0.07872 -0.05381 0.08832 -0.05449 0.13032 63 2PX 0.00144 0.01215 -0.00054 -0.02174 0.23547 64 2PY -0.08148 -0.14034 0.03129 0.15105 -0.02905 65 2PZ -0.19754 -0.00082 0.01148 0.04061 -0.00152 66 3S -0.21540 -0.31019 -0.24914 -0.06246 -0.33388 67 3PX 0.06540 -0.22130 0.12584 0.27006 -0.25709 68 3PY 0.03191 0.42743 0.07917 -0.90842 0.14250 69 3PZ 0.71003 0.01465 -0.13317 -0.16163 -0.05144 70 4XX -0.00974 0.01238 0.01485 -0.03256 -0.00059 71 4YY -0.00112 -0.03907 -0.00638 -0.01821 0.00522 72 4ZZ -0.02405 0.00852 0.01126 0.04475 0.01800 73 4XY 0.00159 -0.01427 0.05795 0.01109 0.06474 74 4XZ -0.01090 -0.03285 -0.02165 -0.05820 -0.03920 75 4YZ -0.06529 0.02028 -0.01704 -0.00414 -0.01549 76 6 C 1S -0.00365 0.00522 -0.00441 -0.01245 -0.00368 77 2S -0.17626 0.08609 0.11664 0.14779 -0.00325 78 2PX -0.41620 -0.21918 0.10494 -0.33517 0.05390 79 2PY -0.22970 0.15294 0.07259 -0.01566 0.06664 80 2PZ -0.27848 -0.08718 -0.02474 0.12329 -0.05970 81 3S 0.19725 -0.49496 0.00066 0.06559 0.15990 82 3PX 0.69164 0.69098 -0.20456 0.06772 -0.08208 83 3PY 0.47400 -0.59550 0.02630 0.41752 -0.08686 84 3PZ 0.77522 0.49064 0.10655 -0.62782 0.13164 85 4XX -0.02386 0.01244 -0.01286 0.01375 0.00267 86 4YY -0.00043 -0.00934 0.02459 0.03469 0.00559 87 4ZZ -0.00091 -0.00543 -0.00009 -0.03132 -0.01207 88 4XY 0.03317 0.02530 -0.01054 0.02773 0.00234 89 4XZ -0.03610 0.00902 0.00061 0.01369 0.00641 90 4YZ 0.01606 0.00939 -0.00112 0.00123 -0.00263 91 7 H 1S 0.18817 -0.11666 0.15137 -0.07360 0.09801 92 2S -0.12505 0.15334 -0.24617 -0.49994 -0.18103 93 8 H 1S 0.18823 -0.11664 0.15125 0.07377 0.09802 94 2S -0.12501 0.15331 -0.24693 0.49963 -0.18101 95 9 H 1S -0.07061 -0.02066 0.08797 0.06273 0.03360 96 2S 0.19763 -0.22052 -0.03833 -0.13058 -0.09515 97 10 H 1S -0.13398 -0.00773 -0.02991 0.24536 -0.17448 98 2S -0.19852 0.24869 0.11778 0.14629 0.40889 99 11 H 1S -0.13399 -0.00774 -0.02959 -0.24532 -0.17452 100 2S -0.19879 0.24870 0.11809 -0.14613 0.40873 101 12 H 1S -0.07056 -0.02066 0.08805 -0.06261 0.03359 102 2S 0.19771 -0.22046 -0.03863 0.13043 -0.09518 103 13 H 1S -0.04968 0.00836 0.28272 0.21566 0.26120 104 2S -0.31923 -0.06010 -0.05740 -0.23099 -0.26224 105 14 H 1S -0.04974 0.00835 0.28303 -0.21527 0.26119 106 2S -0.31926 -0.06001 -0.05774 0.23116 -0.26232 107 15 C 1S 0.00559 0.01483 0.00121 0.00873 -0.00521 108 2S -0.00685 -0.01754 0.27439 -0.08420 0.14326 109 2PX 0.28081 0.13335 0.14428 0.02147 0.03729 110 2PY 0.05683 -0.10266 0.08577 -0.32536 -0.01279 111 2PZ -0.11543 -0.16842 0.21112 -0.30730 0.05065 112 3S -0.20897 -0.44485 -0.11721 0.86553 -0.17993 113 3PX -0.32962 -0.19917 -0.32726 0.36632 -0.11897 114 3PY -0.05274 0.51323 -0.27804 1.44244 0.02969 115 3PZ -0.00288 0.29700 -0.38786 0.97790 -0.01293 116 4XX 0.00320 0.00239 -0.01599 -0.01521 0.01455 117 4YY 0.00806 -0.02457 0.04107 0.05819 0.01663 118 4ZZ -0.02590 0.03924 -0.00121 -0.00834 -0.02621 119 4XY 0.01243 0.03738 -0.04753 -0.00420 -0.00154 120 4XZ -0.03422 0.04481 0.02657 -0.01003 0.01019 121 4YZ -0.04433 0.01527 -0.05744 -0.00396 -0.01653 122 16 C 1S 0.00559 0.01483 0.00123 -0.00874 -0.00521 123 2S -0.00642 -0.01752 0.27420 0.08455 0.14328 124 2PX 0.28109 0.13340 0.14425 -0.02141 0.03726 125 2PY -0.05735 0.10256 -0.08526 -0.32548 0.01283 126 2PZ -0.11531 -0.16829 0.21060 0.30769 0.05069 127 3S -0.21140 -0.44545 -0.11554 -0.86553 -0.17992 128 3PX -0.33071 -0.19962 -0.32649 -0.36666 -0.11893 129 3PY 0.05440 -0.51266 0.27573 1.44294 -0.02980 130 3PZ -0.00396 0.29638 -0.38607 -0.97836 -0.01310 131 4XX 0.00322 0.00237 -0.01601 0.01518 0.01456 132 4YY 0.00796 -0.02459 0.04115 -0.05814 0.01664 133 4ZZ -0.02586 0.03925 -0.00121 0.00836 -0.02621 134 4XY -0.01245 -0.03739 0.04754 -0.00413 0.00153 135 4XZ -0.03421 0.04479 0.02657 0.01006 0.01018 136 4YZ 0.04433 -0.01529 0.05746 -0.00390 0.01655 137 17 C 1S 0.01848 -0.04862 -0.04327 -0.00003 -0.00668 138 2S 0.14047 -0.18559 0.30356 0.00023 0.07898 139 2PX -0.00299 -0.23767 0.30542 0.00026 -0.52113 140 2PY 0.00000 -0.00003 0.00003 -0.03516 -0.00005 141 2PZ -0.03258 0.29830 -0.13036 -0.00013 0.54528 142 3S -0.28961 0.54415 -0.33309 -0.00029 -0.07944 143 3PX -0.17779 1.11561 -0.89944 -0.00074 0.98135 144 3PY 0.00006 0.00005 -0.00003 0.07331 0.00011 145 3PZ -0.18590 -0.59084 0.07298 0.00019 -1.15927 146 4XX -0.00498 -0.09623 -0.12697 -0.00009 0.12282 147 4YY 0.04201 -0.04464 0.11346 0.00008 0.02761 148 4ZZ 0.01957 0.04306 0.01522 0.00001 -0.14230 149 4XY 0.00001 0.00000 0.00000 0.00190 0.00000 150 4XZ -0.01847 0.03504 -0.02836 -0.00002 -0.01315 151 4YZ 0.00001 -0.00001 0.00001 -0.00206 0.00002 152 18 H 1S -0.17324 0.27551 -0.17695 0.01084 -0.05791 153 2S 0.20540 0.17620 -0.06710 -0.86360 0.13300 154 19 H 1S 0.17112 -0.08882 -0.07456 -0.00005 -0.57017 155 2S 0.10701 0.21339 -0.17722 -0.00022 1.38429 156 20 H 1S -0.17330 0.27548 -0.17692 -0.01107 -0.05786 157 2S 0.20613 0.17662 -0.06857 0.86344 0.13299 158 21 O 1S -0.00228 -0.00477 0.01091 -0.00257 0.00365 159 2S 0.03330 -0.20358 -0.12877 -0.00844 -0.03433 160 2PX 0.11617 -0.16453 -0.11471 0.09439 0.05628 161 2PY 0.05496 -0.07745 0.16286 -0.01571 0.03906 162 2PZ 0.04621 -0.10384 -0.05940 -0.13508 -0.09415 163 3S 0.08690 0.47782 0.21481 -0.13036 0.07240 164 3PX -0.14058 -0.04408 0.13122 -0.04619 -0.14493 165 3PY -0.01074 0.00194 -0.14890 -0.08615 -0.04953 166 3PZ -0.08617 0.10575 0.00557 0.07984 0.17255 167 4XX 0.02034 -0.04560 0.02136 -0.00028 -0.03068 168 4YY -0.00069 -0.05632 -0.09111 -0.03299 -0.02225 169 4ZZ 0.01127 -0.08584 -0.03369 0.01154 0.03290 170 4XY 0.01727 -0.00911 0.03631 0.03034 -0.03039 171 4XZ 0.02288 -0.01177 0.05261 -0.01328 0.01909 172 4YZ -0.00362 -0.03773 0.00779 0.00411 0.03292 173 22 O 1S -0.00229 -0.00477 0.01091 0.00258 0.00365 174 2S 0.03323 -0.20362 -0.12875 0.00830 -0.03429 175 2PX 0.11625 -0.16448 -0.11462 -0.09452 0.05625 176 2PY -0.05492 0.07748 -0.16283 -0.01591 -0.03903 177 2PZ 0.04617 -0.10384 -0.05960 0.13498 -0.09412 178 3S 0.08768 0.47813 0.21439 0.13059 0.07238 179 3PX -0.14086 -0.04421 0.13123 0.04637 -0.14494 180 3PY 0.01056 -0.00205 0.14906 -0.08596 0.04949 181 3PZ -0.08626 0.10573 0.00569 -0.07982 0.17253 182 4XX 0.02033 -0.04560 0.02137 0.00034 -0.03066 183 4YY -0.00068 -0.05634 -0.09115 0.03288 -0.02224 184 4ZZ 0.01123 -0.08585 -0.03367 -0.01158 0.03290 185 4XY -0.01724 0.00912 -0.03638 0.03029 0.03039 186 4XZ 0.02291 -0.01176 0.05258 0.01336 0.01910 187 4YZ 0.00366 0.03774 -0.00781 0.00410 -0.03293 188 23 H 1S 0.10146 -0.57534 -0.60143 -0.00042 0.47784 189 2S 0.15614 -0.46804 1.17178 0.00092 -1.23806 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84199 0.85444 0.86452 0.88062 1 1 C 1S -0.01252 0.00740 -0.02295 0.00876 -0.01516 2 2S 0.12985 -0.05224 0.05673 -0.18438 0.32564 3 2PX -0.04677 -0.08957 -0.20734 0.12043 -0.21644 4 2PY 0.15757 -0.05241 -0.41073 -0.00814 -0.21230 5 2PZ 0.15125 -0.08437 -0.50894 0.14650 -0.32036 6 3S -0.51803 -0.45048 1.39774 0.44443 -0.68919 7 3PX 0.14549 0.06165 1.00475 -0.16084 0.50445 8 3PY -0.33173 0.38320 1.91097 -0.43666 0.43513 9 3PZ -0.87716 0.24571 1.78201 -0.55003 0.66226 10 4XX 0.01217 0.01698 -0.00077 -0.01959 0.00473 11 4YY -0.01564 -0.02271 0.07393 -0.00889 0.02090 12 4ZZ -0.00371 -0.00331 -0.02507 -0.00453 0.02017 13 4XY -0.00725 -0.01083 -0.02288 0.00057 -0.06042 14 4XZ -0.01642 0.01262 -0.02856 -0.00404 -0.02723 15 4YZ -0.01604 0.04142 -0.02384 0.00123 -0.04459 16 2 C 1S 0.01252 0.00740 0.02296 -0.00875 -0.01516 17 2S -0.12978 -0.05220 -0.05671 0.18439 0.32550 18 2PX 0.04675 -0.08955 0.20735 -0.12029 -0.21650 19 2PY 0.15763 0.05245 -0.41084 -0.00821 0.21231 20 2PZ -0.15126 -0.08429 0.50892 -0.14631 -0.32044 21 3S 0.51804 -0.45065 -1.39768 -0.44425 -0.68801 22 3PX -0.14533 0.06149 -1.00466 0.16046 0.50535 23 3PY -0.33198 -0.38329 1.91140 -0.43642 -0.43511 24 3PZ 0.87730 0.24555 -1.78181 0.54950 0.66322 25 4XX -0.01216 0.01699 0.00077 0.01959 0.00476 26 4YY 0.01564 -0.02270 -0.07392 0.00891 0.02086 27 4ZZ 0.00372 -0.00332 0.02506 0.00451 0.02020 28 4XY -0.00723 0.01082 -0.02290 0.00055 0.06040 29 4XZ 0.01642 0.01262 0.02856 0.00405 -0.02717 30 4YZ -0.01604 -0.04143 -0.02387 0.00121 0.04457 31 3 C 1S -0.00195 0.00721 0.00749 -0.00083 0.00291 32 2S 0.10211 0.10688 -0.08928 0.16327 0.10351 33 2PX -0.12944 -0.06521 0.00994 -0.08903 0.07337 34 2PY -0.17570 0.05035 -0.00833 -0.09107 -0.05822 35 2PZ 0.30208 0.03926 -0.01427 0.21699 -0.02469 36 3S -1.31976 -0.35591 0.73840 -0.80149 -0.42148 37 3PX 0.67154 -0.13348 -0.15272 -0.31694 0.02064 38 3PY 0.65078 -0.02307 -0.58143 0.31051 0.33278 39 3PZ -1.45861 -0.65509 0.10448 -0.98664 -0.13451 40 4XX -0.02342 -0.03786 -0.02419 -0.01864 -0.00878 41 4YY 0.02318 0.00519 0.06654 0.02647 0.01672 42 4ZZ -0.02707 0.05427 -0.03687 0.00007 -0.00791 43 4XY 0.02865 0.01255 0.03634 0.01208 -0.01125 44 4XZ -0.02591 -0.01193 0.00301 -0.00972 0.01884 45 4YZ 0.00491 0.00140 0.02492 -0.01341 -0.01353 46 4 C 1S 0.00423 -0.02741 -0.01106 -0.00278 0.00150 47 2S -0.03665 0.15802 0.09056 0.01930 -0.21421 48 2PX 0.44410 0.14778 0.10408 -0.52810 0.14533 49 2PY -0.27039 0.00839 -0.08175 -0.16919 -0.08300 50 2PZ 0.19343 -0.03835 0.05178 0.28756 -0.07748 51 3S 0.28395 0.53475 -0.55482 0.23632 0.68814 52 3PX -1.76109 -0.16772 -0.19964 1.46108 -0.23078 53 3PY 1.12631 0.41236 0.23447 0.90729 0.27282 54 3PZ -1.14836 0.00277 -0.22232 -1.25943 0.15580 55 4XX 0.01208 -0.05669 -0.00738 0.00068 -0.03148 56 4YY -0.02301 0.07263 -0.00056 -0.01254 -0.01330 57 4ZZ 0.01971 0.00386 -0.00274 0.01612 0.02271 58 4XY -0.00129 -0.00782 -0.00342 0.01744 -0.00924 59 4XZ 0.03413 0.05676 -0.02085 0.05664 0.00040 60 4YZ -0.00517 -0.03144 0.00385 -0.00880 0.02777 61 5 C 1S -0.00423 -0.02741 0.01106 0.00279 0.00150 62 2S 0.03666 0.15803 -0.09055 -0.01930 -0.21404 63 2PX -0.44424 0.14804 -0.10410 0.52795 0.14560 64 2PY -0.27034 -0.00847 -0.08174 -0.16918 0.08293 65 2PZ -0.19344 -0.03852 -0.05175 -0.28757 -0.07726 66 3S -0.28391 0.53460 0.55461 -0.23685 0.68732 67 3PX 1.76137 -0.16848 0.19968 -1.46077 -0.23136 68 3PY 1.12610 -0.41207 0.23456 0.90736 -0.27293 69 3PZ 1.14834 0.00333 0.22229 1.25967 0.15515 70 4XX -0.01208 -0.05668 0.00740 -0.00064 -0.03147 71 4YY 0.02301 0.07262 0.00056 0.01252 -0.01328 72 4ZZ -0.01971 0.00385 0.00273 -0.01613 0.02268 73 4XY -0.00128 0.00782 -0.00342 0.01744 0.00927 74 4XZ -0.03412 0.05675 0.02085 -0.05666 0.00036 75 4YZ -0.00514 0.03144 0.00385 -0.00880 -0.02771 76 6 C 1S 0.00196 0.00721 -0.00749 0.00082 0.00287 77 2S -0.10214 0.10686 0.08924 -0.16332 0.10410 78 2PX 0.12944 -0.06525 -0.00987 0.08908 0.07349 79 2PY -0.17548 -0.05041 -0.00830 -0.09115 0.05736 80 2PZ -0.30212 0.03914 0.01425 -0.21703 -0.02470 81 3S 1.31989 -0.35578 -0.73820 0.80192 -0.42201 82 3PX -0.67127 -0.13327 0.15262 0.31698 0.02002 83 3PY 0.65011 0.02334 -0.58148 0.31082 -0.33032 84 3PZ 1.45867 -0.65470 -0.10441 0.98698 -0.13490 85 4XX 0.02342 -0.03784 0.02419 0.01866 -0.00868 86 4YY -0.02319 0.00517 -0.06656 -0.02648 0.01659 87 4ZZ 0.02708 0.05427 0.03687 -0.00008 -0.00781 88 4XY 0.02864 -0.01253 0.03632 0.01207 0.01123 89 4XZ 0.02591 -0.01193 -0.00301 0.00972 0.01887 90 4YZ 0.00490 -0.00139 0.02490 -0.01343 0.01349 91 7 H 1S -0.02203 0.18699 -0.33076 0.12625 -0.31015 92 2S -0.20950 0.14509 1.68770 -0.54882 1.02975 93 8 H 1S 0.02201 0.18699 0.33077 -0.12619 -0.31010 94 2S 0.20971 0.14504 -1.68781 0.54831 1.03004 95 9 H 1S 0.12859 -0.00657 0.09350 0.03807 0.09123 96 2S -0.41188 0.07207 -0.03997 -0.16147 -0.22120 97 10 H 1S 0.04814 -0.26688 -0.07587 0.13745 -0.10348 98 2S 0.75535 -0.00888 0.30070 -0.95982 0.01247 99 11 H 1S -0.04811 -0.26694 0.07592 -0.13728 -0.10360 100 2S -0.75546 -0.00848 -0.30066 0.95977 0.01326 101 12 H 1S -0.12855 -0.00661 -0.09349 -0.03816 0.09061 102 2S 0.41158 0.07220 0.03989 0.16179 -0.21891 103 13 H 1S -0.04190 -0.35024 -0.07791 0.18908 0.05207 104 2S 0.37863 0.12299 0.04985 -1.11139 -0.41119 105 14 H 1S 0.04185 -0.35033 0.07797 -0.18898 0.05196 106 2S -0.37846 0.12355 -0.04981 1.11150 -0.41126 107 15 C 1S -0.00555 0.01308 -0.00608 -0.01816 -0.01109 108 2S 0.01061 -0.08955 0.07031 0.16394 0.50826 109 2PX 0.16011 0.04938 -0.02520 -0.00044 -0.05726 110 2PY 0.21304 0.00282 -0.25646 -0.16933 -0.25810 111 2PZ -0.22335 0.06542 -0.29133 -0.28255 -0.26165 112 3S -0.49680 0.22582 0.51307 0.15097 -1.11375 113 3PX -0.46935 -0.01214 0.26970 0.03939 0.20855 114 3PY -0.67225 -0.03763 1.14415 0.74943 0.63852 115 3PZ 0.70173 -0.10884 1.05129 0.96495 0.65939 116 4XX -0.00820 0.04422 0.01356 0.03291 0.03613 117 4YY -0.03564 -0.02127 0.04280 0.02819 0.02241 118 4ZZ 0.02531 0.01332 -0.01392 -0.03296 0.01201 119 4XY -0.00249 -0.00437 -0.00559 -0.00750 -0.06111 120 4XZ 0.00363 0.06526 -0.00797 -0.00125 -0.00479 121 4YZ 0.01167 0.03943 -0.01747 -0.02246 -0.06382 122 16 C 1S 0.00555 0.01309 0.00607 0.01815 -0.01109 123 2S -0.01066 -0.08967 -0.07032 -0.16391 0.50814 124 2PX -0.16017 0.04936 0.02513 0.00037 -0.05719 125 2PY 0.21301 -0.00292 -0.25651 -0.16937 0.25807 126 2PZ 0.22345 0.06564 0.29134 0.28253 -0.26171 127 3S 0.49678 0.22579 -0.51300 -0.15106 -1.11337 128 3PX 0.46947 -0.01217 -0.26959 -0.03930 0.20835 129 3PY -0.67220 0.03811 1.14436 0.74958 -0.63876 130 3PZ -0.70201 -0.10957 -1.05117 -0.96484 0.65960 131 4XX 0.00819 0.04420 -0.01357 -0.03293 0.03613 132 4YY 0.03563 -0.02127 -0.04279 -0.02818 0.02239 133 4ZZ -0.02529 0.01331 0.01391 0.03295 0.01202 134 4XY -0.00252 0.00436 -0.00557 -0.00749 0.06110 135 4XZ -0.00362 0.06525 0.00795 0.00121 -0.00478 136 4YZ 0.01168 -0.03945 -0.01748 -0.02245 0.06383 137 17 C 1S 0.00000 -0.03053 0.00000 0.00001 0.01444 138 2S 0.00001 -0.59665 0.00008 0.00017 -0.09402 139 2PX 0.00009 0.17589 0.00001 -0.00003 -0.01052 140 2PY 0.01730 0.00000 0.01738 -0.05015 -0.00001 141 2PZ -0.00006 -0.18804 0.00001 0.00006 -0.07999 142 3S -0.00005 1.37840 -0.00019 -0.00042 0.35976 143 3PX -0.00012 -0.66859 -0.00003 0.00015 -0.14495 144 3PY -0.02805 0.00000 -0.07680 0.08516 0.00007 145 3PZ 0.00019 0.38163 0.00001 -0.00010 -0.06880 146 4XX -0.00002 0.03378 0.00000 -0.00001 0.00603 147 4YY -0.00001 -0.03079 0.00001 0.00001 0.02716 148 4ZZ 0.00002 -0.08749 0.00000 0.00002 -0.00004 149 4XY -0.00196 0.00000 -0.00516 0.02281 0.00001 150 4XZ 0.00001 0.00031 0.00000 0.00000 -0.04129 151 4YZ 0.01320 0.00001 0.00649 0.01568 -0.00001 152 18 H 1S -0.08095 0.10630 0.17390 0.29654 -0.25831 153 2S -0.10091 -0.29710 -1.03341 -1.01077 1.13479 154 19 H 1S 0.00005 -0.26659 -0.00001 0.00001 0.15196 155 2S -0.00020 -0.39438 0.00003 0.00017 -0.15729 156 20 H 1S 0.08101 0.10619 -0.17394 -0.29661 -0.25828 157 2S 0.10075 -0.29647 1.03343 1.01088 1.13470 158 21 O 1S 0.00236 0.00789 0.00257 0.00554 0.01244 159 2S -0.06279 -0.25676 0.07324 0.04133 0.02686 160 2PX 0.06070 -0.11492 -0.02351 -0.03454 -0.04235 161 2PY 0.04014 0.16468 -0.01478 0.06037 0.12120 162 2PZ -0.06621 -0.17193 0.01509 0.05714 0.02555 163 3S 0.00328 0.07239 -0.34688 -0.21179 -0.26316 164 3PX 0.04193 0.21824 0.09145 0.12901 0.10912 165 3PY -0.00223 -0.33368 -0.07955 -0.14755 -0.35045 166 3PZ -0.01079 0.08124 -0.06607 -0.10999 -0.06764 167 4XX -0.02113 -0.09697 0.02558 -0.00548 0.02672 168 4YY -0.00189 -0.08517 0.00191 0.01520 -0.03001 169 4ZZ -0.02922 -0.06050 0.03115 0.02676 0.02918 170 4XY -0.00181 -0.04622 0.02084 0.02519 0.00422 171 4XZ -0.01734 -0.02519 0.00441 0.02155 0.01473 172 4YZ -0.00596 -0.01659 0.00429 0.00000 0.01251 173 22 O 1S -0.00236 0.00788 -0.00257 -0.00554 0.01244 174 2S 0.06278 -0.25679 -0.07317 -0.04119 0.02681 175 2PX -0.06071 -0.11490 0.02353 0.03458 -0.04241 176 2PY 0.04021 -0.16461 -0.01475 0.06048 -0.12125 177 2PZ 0.06621 -0.17196 -0.01507 -0.05704 0.02560 178 3S -0.00318 0.07254 0.34678 0.21170 -0.26318 179 3PX -0.04193 0.21815 -0.09146 -0.12911 0.10921 180 3PY -0.00234 0.33356 -0.07960 -0.14774 0.35052 181 3PZ 0.01078 0.08134 0.06606 0.10994 -0.06770 182 4XX 0.02114 -0.09697 -0.02555 0.00553 0.02672 183 4YY 0.00190 -0.08519 -0.00190 -0.01515 -0.03002 184 4ZZ 0.02919 -0.06050 -0.03113 -0.02671 0.02915 185 4XY -0.00182 0.04624 0.02083 0.02517 -0.00423 186 4XZ 0.01733 -0.02519 -0.00440 -0.02154 0.01471 187 4YZ -0.00595 0.01658 0.00429 -0.00001 -0.01252 188 23 H 1S -0.00011 0.03470 0.00001 -0.00002 0.07702 189 2S 0.00021 -0.04123 0.00007 0.00004 -0.07070 96 97 98 99 100 V V V V V Eigenvalues -- 0.88447 0.88520 0.88709 0.89806 0.91380 1 1 C 1S -0.01241 -0.00120 0.00702 -0.00840 -0.00499 2 2S -0.10188 0.10154 -0.11930 0.22266 -0.10197 3 2PX -0.22113 0.18572 0.33391 -0.08974 0.06203 4 2PY -0.10542 -0.11003 -0.16574 -0.19114 0.06321 5 2PZ -0.25807 0.20206 0.27806 -0.25495 -0.00518 6 3S 0.11540 -1.06206 0.04700 -0.90095 0.45959 7 3PX 0.59142 -1.30026 -1.38125 0.31175 0.05061 8 3PY 0.27483 0.62375 1.08350 0.73591 -0.14525 9 3PZ 0.64388 -1.23177 -1.13489 0.67341 0.09031 10 4XX -0.00067 -0.02082 -0.02330 0.04774 0.01921 11 4YY -0.02589 0.02125 0.01017 -0.00915 -0.01482 12 4ZZ 0.02268 -0.02074 -0.01901 -0.00776 -0.02187 13 4XY -0.03459 -0.00805 0.03021 -0.00223 0.02178 14 4XZ -0.02760 -0.03849 -0.00100 -0.00092 0.00507 15 4YZ -0.03845 -0.00391 0.02878 0.00357 -0.01491 16 2 C 1S -0.01241 0.00109 -0.00705 -0.00841 -0.00499 17 2S -0.10091 -0.10319 0.11921 0.22273 -0.10205 18 2PX -0.21863 -0.18777 -0.33433 -0.08990 0.06205 19 2PY 0.10683 -0.10920 -0.16547 0.19110 -0.06328 20 2PZ -0.25547 -0.20433 -0.27855 -0.25507 -0.00515 21 3S 0.10380 1.06438 -0.04700 -0.90076 0.45971 22 3PX 0.57543 1.30577 1.38236 0.31261 0.05060 23 3PY -0.28292 0.62129 1.08273 -0.73550 0.14565 24 3PZ 0.62891 1.23748 1.13608 0.67399 0.09030 25 4XX -0.00091 0.02078 0.02329 0.04776 0.01920 26 4YY -0.02567 -0.02155 -0.01022 -0.00916 -0.01483 27 4ZZ 0.02243 0.02095 0.01906 -0.00775 -0.02187 28 4XY 0.03464 -0.00778 0.03029 0.00223 -0.02178 29 4XZ -0.02800 0.03822 0.00095 -0.00091 0.00507 30 4YZ 0.03844 -0.00357 0.02884 -0.00357 0.01491 31 3 C 1S 0.00194 0.02132 -0.02364 0.01638 0.00617 32 2S -0.17239 -0.37404 0.21103 -0.23063 -0.11131 33 2PX -0.05433 -0.12824 -0.11730 -0.05377 0.01994 34 2PY -0.20529 -0.61830 0.14304 -0.23590 -0.26379 35 2PZ -0.04278 -0.12082 -0.21355 0.06367 -0.02664 36 3S -0.05754 -0.01179 -1.22541 0.36604 0.31472 37 3PX 0.17366 0.88445 0.94726 -0.22957 0.03568 38 3PY 0.70107 1.86574 -0.13905 0.79216 0.44720 39 3PZ 0.05323 0.94085 1.13360 -0.41049 0.33480 40 4XX -0.02009 -0.06453 0.01703 -0.05979 -0.03339 41 4YY 0.00870 0.07699 -0.04763 0.01930 0.04419 42 4ZZ -0.02878 -0.06055 0.02167 0.01067 -0.02952 43 4XY -0.00790 -0.03114 -0.04835 0.01334 -0.00571 44 4XZ -0.02279 -0.02815 -0.00811 -0.03226 -0.00736 45 4YZ -0.03248 -0.05440 -0.02201 0.00043 -0.01765 46 4 C 1S -0.00450 0.00099 -0.00613 -0.00793 0.01274 47 2S -0.25266 -0.11132 0.07379 0.11568 0.04844 48 2PX 0.16312 -0.01553 0.31254 -0.45771 -0.26056 49 2PY -0.05526 0.04212 0.17674 -0.02618 -0.05500 50 2PZ -0.21007 -0.24168 -0.06605 0.10685 -0.08721 51 3S 0.65754 0.52531 -0.30505 0.28235 -0.28247 52 3PX -0.12364 0.05283 -0.62391 0.85899 0.44200 53 3PY 0.09893 -0.61017 -0.91031 0.16103 -0.14789 54 3PZ 0.23345 0.89715 0.51143 -0.35035 0.06816 55 4XX -0.02796 -0.01897 -0.02321 0.00415 0.02411 56 4YY -0.04040 -0.00692 0.01678 0.03685 -0.02466 57 4ZZ 0.01946 0.02106 0.00672 -0.01719 0.01581 58 4XY -0.06979 0.01102 -0.01411 0.01025 0.01551 59 4XZ -0.01375 0.00990 -0.03612 0.07603 0.01094 60 4YZ 0.05857 0.04911 -0.00008 0.00331 0.02980 61 5 C 1S -0.00449 -0.00104 0.00613 -0.00793 0.01274 62 2S -0.25376 0.10885 -0.07423 0.11569 0.04847 63 2PX 0.16360 0.01729 -0.31206 -0.45772 -0.26042 64 2PY 0.05458 0.04260 0.17689 0.02627 0.05503 65 2PZ -0.21279 0.23949 0.06572 0.10701 -0.08723 66 3S 0.66282 -0.51916 0.30627 0.28226 -0.28241 67 3PX -0.12461 -0.05417 0.62331 0.85873 0.44174 68 3PY -0.09111 -0.61077 -0.91056 -0.16158 0.14771 69 3PZ 0.24370 -0.89471 -0.51112 -0.35106 0.06818 70 4XX -0.02820 0.01871 0.02315 0.00418 0.02409 71 4YY -0.04044 0.00648 -0.01685 0.03685 -0.02465 72 4ZZ 0.01968 -0.02085 -0.00667 -0.01723 0.01583 73 4XY 0.06969 0.01177 -0.01399 -0.01026 -0.01551 74 4XZ -0.01371 -0.01007 0.03608 0.07604 0.01091 75 4YZ -0.05911 0.04851 -0.00018 -0.00328 -0.02981 76 6 C 1S 0.00214 -0.02131 0.02364 0.01638 0.00617 77 2S -0.17610 0.37215 -0.21119 -0.23055 -0.11129 78 2PX -0.05583 0.12757 0.11733 -0.05372 0.02005 79 2PY 0.21170 -0.61632 0.14332 0.23569 0.26383 80 2PZ -0.04435 0.12025 0.21349 0.06384 -0.02658 81 3S -0.05956 0.01159 1.22518 0.36623 0.31479 82 3PX 0.18443 -0.88246 -0.94701 -0.23004 0.03537 83 3PY -0.72096 1.85936 -0.13978 -0.79142 -0.44735 84 3PZ 0.06467 -0.93961 -1.13359 -0.41145 0.33451 85 4XX -0.02074 0.06434 -0.01708 -0.05978 -0.03338 86 4YY 0.00944 -0.07689 0.04768 0.01928 0.04419 87 4ZZ -0.02940 0.06023 -0.02172 0.01069 -0.02952 88 4XY 0.00832 -0.03108 -0.04833 -0.01335 0.00573 89 4XZ -0.02309 0.02788 0.00808 -0.03227 -0.00734 90 4YZ 0.03310 -0.05409 -0.02194 -0.00045 0.01766 91 7 H 1S -0.17000 0.02044 0.15769 0.01069 0.02067 92 2S 0.72519 -0.47088 -0.73453 0.78992 -0.07329 93 8 H 1S -0.16955 -0.02187 -0.15808 0.01061 0.02072 94 2S 0.71899 0.47694 0.73585 0.79036 -0.07351 95 9 H 1S 0.12815 0.40025 -0.18882 0.23005 0.27823 96 2S -0.56947 -1.60728 0.50427 -0.77197 -0.58694 97 10 H 1S -0.21809 -0.04780 -0.24291 0.08317 0.20419 98 2S 0.08818 -0.21036 0.71021 -0.71800 -0.26953 99 11 H 1S -0.21899 0.04554 0.24249 0.08332 0.20406 100 2S 0.08739 0.21146 -0.70985 -0.71798 -0.26928 101 12 H 1S 0.13215 -0.39905 0.18908 0.22995 0.27825 102 2S -0.58595 1.60180 -0.50514 -0.77148 -0.58699 103 13 H 1S 0.31841 -0.01424 -0.13398 -0.28639 0.11485 104 2S -0.63764 0.36675 0.35472 0.78175 0.15386 105 14 H 1S 0.31791 0.01774 0.13459 -0.28633 0.11476 106 2S -0.63277 -0.37335 -0.35607 0.78158 0.15415 107 15 C 1S 0.00218 0.00503 -0.00754 0.00499 0.00012 108 2S -0.38790 0.08079 0.24983 -0.04370 -0.02170 109 2PX -0.07926 -0.03213 0.00782 0.06975 0.09948 110 2PY 0.17721 -0.06541 -0.09083 0.09674 0.06940 111 2PZ 0.28453 0.02382 -0.37518 -0.00111 0.07444 112 3S 0.95631 -0.40016 -0.66052 0.07916 0.08828 113 3PX 0.02992 0.06382 0.00003 -0.17629 -0.23659 114 3PY -0.45488 -0.18407 0.25445 -0.22494 -0.08169 115 3PZ -0.50713 -0.12429 1.04798 -0.11539 -0.15176 116 4XX -0.02987 0.00445 0.03128 -0.00714 -0.01454 117 4YY -0.01584 0.00204 0.01784 0.01745 0.00752 118 4ZZ -0.01388 -0.00107 -0.01030 -0.02253 0.00086 119 4XY 0.04691 -0.00582 -0.00206 0.00814 0.01544 120 4XZ 0.02052 -0.00492 -0.01019 -0.02425 0.03478 121 4YZ 0.06443 0.00526 -0.02102 -0.02712 -0.00868 122 16 C 1S 0.00222 -0.00499 0.00753 0.00498 0.00012 123 2S -0.38664 -0.08552 -0.25015 -0.04374 -0.02176 124 2PX -0.07960 0.03132 -0.00803 0.06978 0.09946 125 2PY -0.17645 -0.06762 -0.09101 -0.09685 -0.06938 126 2PZ 0.28419 -0.02044 0.37554 -0.00107 0.07444 127 3S 0.95089 0.41174 0.66141 0.07933 0.08831 128 3PX 0.03065 -0.06372 0.00025 -0.17631 -0.23661 129 3PY 0.45661 -0.17845 0.25494 0.22507 0.08168 130 3PZ -0.50688 0.11800 -1.04847 -0.11537 -0.15200 131 4XX -0.02979 -0.00482 -0.03131 -0.00715 -0.01455 132 4YY -0.01577 -0.00224 -0.01786 0.01743 0.00752 133 4ZZ -0.01391 0.00091 0.01030 -0.02250 0.00085 134 4XY -0.04684 -0.00638 -0.00208 -0.00814 -0.01544 135 4XZ 0.02043 0.00516 0.01022 -0.02423 0.03476 136 4YZ -0.06445 0.00448 -0.02110 0.02712 0.00869 137 17 C 1S -0.00137 -0.00001 0.00001 -0.01679 0.00572 138 2S 0.11464 0.00061 0.00000 0.34569 -0.95910 139 2PX 0.15841 0.00084 0.00012 -0.02430 -0.45053 140 2PY -0.00012 0.01375 0.05810 -0.00001 0.00001 141 2PZ -0.09602 -0.00051 -0.00015 0.31346 -0.24953 142 3S -0.37786 -0.00207 -0.00001 -0.90501 2.60468 143 3PX -0.29776 -0.00155 -0.00037 0.21022 0.67176 144 3PY 0.00011 0.00294 -0.18100 0.00000 0.00004 145 3PZ 0.50342 0.00279 0.00046 -0.63956 0.15420 146 4XX 0.00018 0.00000 0.00000 0.01000 -0.01693 147 4YY -0.02877 -0.00017 -0.00002 0.05329 -0.06138 148 4ZZ 0.02663 0.00014 0.00003 -0.06104 0.01437 149 4XY 0.00000 0.00193 -0.01272 0.00000 0.00000 150 4XZ 0.04081 0.00024 0.00002 0.00318 -0.00558 151 4YZ 0.00008 -0.01884 0.01643 0.00001 -0.00001 152 18 H 1S 0.24874 0.01080 0.27873 -0.07528 -0.00266 153 2S -0.92183 0.03562 -0.96003 -0.06902 -0.14637 154 19 H 1S -0.00457 -0.00007 0.00009 -0.39986 0.39479 155 2S -0.32292 -0.00175 -0.00046 1.09945 -0.93436 156 20 H 1S 0.24921 -0.00778 -0.27845 -0.07540 -0.00262 157 2S -0.92273 -0.04693 0.95915 -0.06886 -0.14631 158 21 O 1S -0.00685 -0.00098 0.00074 -0.00210 -0.00072 159 2S 0.00142 0.05294 0.03013 0.01588 -0.14997 160 2PX 0.03429 0.01040 -0.04320 0.03439 0.00859 161 2PY -0.08582 -0.05110 0.00113 -0.07912 0.21783 162 2PZ -0.00085 -0.01224 0.07996 0.00878 0.02313 163 3S 0.09140 -0.03865 -0.20301 0.09980 0.12771 164 3PX 0.00551 -0.02914 0.07830 -0.10961 -0.15095 165 3PY 0.23148 0.09086 -0.01160 0.19099 -0.31817 166 3PZ 0.02339 0.02386 -0.18140 0.02400 -0.09422 167 4XX -0.01646 0.00966 0.01002 0.01990 -0.04632 168 4YY 0.04402 0.01042 -0.00335 -0.01378 -0.03799 169 4ZZ -0.02366 0.02923 0.01237 0.02539 -0.07804 170 4XY -0.00021 -0.00687 0.01241 0.01134 -0.02722 171 4XZ -0.01935 0.00918 0.00560 0.01338 -0.01233 172 4YZ -0.01468 0.00498 0.00057 0.02860 -0.02707 173 22 O 1S -0.00686 0.00089 -0.00074 -0.00210 -0.00072 174 2S 0.00201 -0.05298 -0.03014 0.01581 -0.14995 175 2PX 0.03436 -0.00997 0.04323 0.03443 0.00859 176 2PY 0.08636 -0.05011 0.00112 0.07908 -0.21780 177 2PZ -0.00087 0.01216 -0.07997 0.00873 0.02312 178 3S 0.09072 0.03991 0.20297 0.09989 0.12773 179 3PX 0.00527 0.02907 -0.07821 -0.10960 -0.15103 180 3PY -0.23243 0.08808 -0.01163 -0.19093 0.31813 181 3PZ 0.02335 -0.02350 0.18141 0.02406 -0.09423 182 4XX -0.01634 -0.00988 -0.01004 0.01988 -0.04630 183 4YY 0.04411 -0.00992 0.00339 -0.01378 -0.03801 184 4ZZ -0.02334 -0.02953 -0.01241 0.02535 -0.07803 185 4XY 0.00027 -0.00686 0.01241 -0.01134 0.02722 186 4XZ -0.01925 -0.00942 -0.00563 0.01337 -0.01233 187 4YZ 0.01464 0.00516 0.00059 -0.02860 0.02707 188 23 H 1S -0.05150 -0.00027 0.00003 -0.12146 0.34717 189 2S 0.41040 0.00220 0.00029 0.03980 -1.26465 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94028 0.95122 1.00797 1.01440 1 1 C 1S -0.00092 0.00627 -0.00337 0.01326 -0.01534 2 2S 0.33659 -0.25511 0.25448 0.46591 -0.49556 3 2PX -0.00597 0.10590 0.04301 -0.12725 -0.10285 4 2PY -0.06945 0.08038 -0.27283 0.27568 0.19485 5 2PZ -0.04209 0.18663 0.06740 -0.14919 0.07566 6 3S -1.22585 0.00925 -0.85479 -1.85074 1.67570 7 3PX -0.12597 -0.23165 -0.91456 1.13467 0.08750 8 3PY 0.46912 0.26414 2.07371 -2.34343 -0.98812 9 3PZ -0.05996 -0.30506 -0.84455 1.23811 -0.24902 10 4XX 0.00622 -0.01926 -0.00076 0.02104 -0.01978 11 4YY 0.01669 -0.04813 0.03744 -0.02623 -0.02332 12 4ZZ 0.02344 0.03339 -0.01378 0.06152 -0.02421 13 4XY 0.01125 0.02313 0.01311 0.00546 0.00855 14 4XZ -0.00244 0.03611 -0.03192 0.06789 -0.02814 15 4YZ 0.00738 0.08452 0.01242 0.03103 -0.05322 16 2 C 1S 0.00092 0.00627 0.00337 -0.01327 -0.01534 17 2S -0.33673 -0.25489 -0.25454 -0.46631 -0.49558 18 2PX 0.00602 0.10591 -0.04304 0.12724 -0.10285 19 2PY -0.06949 -0.08030 -0.27281 0.27555 -0.19479 20 2PZ 0.04219 0.18661 -0.06741 0.14919 0.07568 21 3S 1.22584 0.00855 0.85459 1.85226 1.67571 22 3PX 0.12588 -0.23198 0.91470 -1.13461 0.08725 23 3PY 0.46898 -0.26492 2.07333 -2.34255 0.98778 24 3PZ 0.05979 -0.30542 0.84477 -1.23819 -0.24910 25 4XX -0.00623 -0.01926 0.00076 -0.02103 -0.01978 26 4YY -0.01672 -0.04808 -0.03746 0.02618 -0.02333 27 4ZZ -0.02343 0.03337 0.01379 -0.06153 -0.02422 28 4XY 0.01123 -0.02315 0.01309 0.00550 -0.00855 29 4XZ 0.00246 0.03609 0.03193 -0.06790 -0.02815 30 4YZ 0.00734 -0.08454 0.01238 0.03108 0.05322 31 3 C 1S -0.00660 -0.00250 -0.01119 -0.00773 0.00070 32 2S -0.19128 -0.44868 0.08961 -0.43168 -0.03822 33 2PX -0.19667 0.04244 -0.30455 -0.04082 -0.10261 34 2PY -0.04373 -0.38619 0.15207 -0.08632 -0.05201 35 2PZ -0.10031 0.01492 -0.18355 0.09749 -0.04435 36 3S 0.45016 1.17957 -1.33070 2.11404 -0.29558 37 3PX 0.90145 -0.28417 1.62826 -0.82918 0.60288 38 3PY 0.21392 0.81418 -0.13539 0.22293 -0.44545 39 3PZ 0.83527 -0.55117 1.55426 -0.49911 0.59821 40 4XX -0.03644 -0.04930 0.00152 0.04641 -0.04200 41 4YY -0.04183 0.00233 -0.02674 -0.08329 0.09382 42 4ZZ 0.04565 -0.02308 0.00242 0.00312 -0.06592 43 4XY 0.00983 0.02777 0.01681 -0.05921 -0.03020 44 4XZ -0.02715 -0.01992 -0.07267 0.00966 0.02948 45 4YZ -0.01717 0.00142 -0.01103 0.04279 -0.04314 46 4 C 1S -0.02678 -0.02132 0.01203 -0.00231 0.00032 47 2S 0.57981 -0.17156 -0.32947 -0.23154 0.47042 48 2PX -0.06461 0.12021 -0.18182 -0.07888 0.05692 49 2PY 0.27477 -0.03064 0.00188 -0.01395 0.05720 50 2PZ 0.22351 -0.13501 -0.13694 -0.09024 0.24279 51 3S -1.42030 0.73762 0.29097 0.85151 -1.37532 52 3PX 0.13382 -0.30690 0.09383 0.66675 -0.11453 53 3PY -1.15228 0.16461 -0.81310 -0.22240 -0.14846 54 3PZ 0.07726 0.05170 0.71930 0.15326 -0.08701 55 4XX -0.00370 -0.03288 0.06412 -0.02515 -0.07380 56 4YY 0.04817 0.00040 -0.01241 -0.00870 0.07116 57 4ZZ 0.00404 -0.01708 -0.09211 0.00713 0.07063 58 4XY 0.00637 -0.05406 0.03009 -0.02345 0.03571 59 4XZ 0.06432 -0.00480 0.02237 -0.07107 0.00549 60 4YZ -0.01593 -0.01515 0.00660 0.00040 0.03398 61 5 C 1S 0.02677 -0.02133 -0.01204 0.00231 0.00032 62 2S -0.57987 -0.17128 0.32954 0.23131 0.47029 63 2PX 0.06463 0.12021 0.18185 0.07879 0.05694 64 2PY 0.27482 0.03053 0.00183 -0.01388 -0.05723 65 2PZ -0.22351 -0.13489 0.13697 0.09015 0.24270 66 3S 1.42063 0.73681 -0.29085 -0.85106 -1.37504 67 3PX -0.13394 -0.30721 -0.09396 -0.66655 -0.11427 68 3PY -1.15239 -0.16409 -0.81311 -0.22247 0.14879 69 3PZ -0.07740 0.05170 -0.71948 -0.15307 -0.08660 70 4XX 0.00367 -0.03285 -0.06415 0.02518 -0.07382 71 4YY -0.04816 0.00042 0.01243 0.00867 0.07117 72 4ZZ -0.00404 -0.01710 0.09213 -0.00716 0.07062 73 4XY 0.00639 0.05405 0.03011 -0.02350 -0.03570 74 4XZ -0.06433 -0.00473 -0.02233 0.07108 0.00546 75 4YZ -0.01593 0.01516 0.00659 0.00038 -0.03399 76 6 C 1S 0.00660 -0.00250 0.01119 0.00773 0.00069 77 2S 0.19108 -0.44868 -0.08967 0.43197 -0.03825 78 2PX 0.19671 0.04228 0.30456 0.04070 -0.10257 79 2PY -0.04363 0.38613 0.15202 -0.08634 0.05208 80 2PZ 0.10030 0.01494 0.18359 -0.09758 -0.04444 81 3S -0.44954 1.17911 1.33094 -2.11538 -0.29560 82 3PX -0.90161 -0.28327 -1.62835 0.82969 0.60301 83 3PY 0.21391 -0.81404 -0.13494 0.22280 0.44515 84 3PZ -0.83548 -0.55080 -1.55459 0.49975 0.59884 85 4XX 0.03642 -0.04933 -0.00153 -0.04643 -0.04198 86 4YY 0.04184 0.00232 0.02674 0.08332 0.09379 87 4ZZ -0.04566 -0.02306 -0.00243 -0.00309 -0.06593 88 4XY 0.00981 -0.02779 0.01679 -0.05920 0.03021 89 4XZ 0.02714 -0.01996 0.07267 -0.00969 0.02949 90 4YZ -0.01716 -0.00139 -0.01103 0.04281 0.04317 91 7 H 1S -0.03552 0.32975 -0.13424 0.22533 -0.25404 92 2S 0.32547 -0.57754 0.29808 0.22921 -0.46502 93 8 H 1S 0.03569 0.32967 0.13432 -0.22539 -0.25407 94 2S -0.32583 -0.57728 -0.29818 -0.22935 -0.46509 95 9 H 1S -0.02885 0.19358 -0.14246 -0.13038 0.39317 96 2S -0.14805 -0.96791 0.38203 -0.15618 -0.14106 97 10 H 1S -0.22165 -0.23265 0.43738 -0.12784 -0.24016 98 2S 0.50228 0.26406 -0.59428 -0.23996 0.59870 99 11 H 1S 0.22154 -0.23262 -0.43752 0.12807 -0.24022 100 2S -0.50224 0.26432 0.59436 0.23929 0.59857 101 12 H 1S 0.02892 0.19354 0.14248 0.13041 0.39313 102 2S 0.14772 -0.96783 -0.38207 0.15638 -0.14111 103 13 H 1S 0.50830 -0.05362 -0.05890 -0.23791 -0.19742 104 2S -1.05460 -0.35785 0.10111 0.24311 0.44607 105 14 H 1S -0.50835 -0.05331 0.05876 0.23798 -0.19754 106 2S 1.05450 -0.35838 -0.10102 -0.24322 0.44631 107 15 C 1S -0.00270 -0.01083 -0.00758 0.01582 0.00960 108 2S 0.10722 0.13803 0.13116 0.81388 0.22053 109 2PX 0.06096 -0.16643 0.02462 -0.07810 -0.09907 110 2PY 0.19479 -0.15643 0.10341 0.03335 0.02812 111 2PZ -0.04514 -0.26769 -0.05776 -0.15583 -0.01282 112 3S -0.21014 -0.52827 -0.06245 -2.52055 -0.45036 113 3PX 0.08627 0.23842 0.23144 0.17184 0.29562 114 3PY -0.48057 0.37859 -0.16725 -0.52520 0.13364 115 3PZ 0.86798 0.52082 0.70195 0.65627 0.06588 116 4XX -0.00888 0.02848 0.01588 0.03440 -0.02802 117 4YY -0.01794 0.00038 -0.00433 0.01008 0.03102 118 4ZZ 0.04427 -0.01223 0.01946 0.05310 0.02127 119 4XY 0.00089 0.05106 0.00013 0.00126 -0.05780 120 4XZ 0.05257 -0.01034 0.03498 0.04569 -0.03846 121 4YZ 0.02779 -0.04390 0.02376 0.00560 0.03691 122 16 C 1S 0.00269 -0.01084 0.00758 -0.01582 0.00961 123 2S -0.10707 0.13806 -0.13111 -0.81393 0.22050 124 2PX -0.06108 -0.16636 -0.02467 0.07804 -0.09897 125 2PY 0.19489 0.15632 0.10344 0.03331 -0.02803 126 2PZ 0.04500 -0.26770 0.05768 0.15584 -0.01286 127 3S 0.20964 -0.52839 0.06216 2.52056 -0.44983 128 3PX -0.08607 0.23830 -0.23134 -0.17181 0.29558 129 3PY -0.48069 -0.37826 -0.16723 -0.52510 -0.13420 130 3PZ -0.86779 0.52122 -0.70191 -0.65646 0.06627 131 4XX 0.00890 0.02847 -0.01588 -0.03441 -0.02802 132 4YY 0.01794 0.00035 0.00433 -0.01008 0.03104 133 4ZZ -0.04428 -0.01220 -0.01946 -0.05311 0.02128 134 4XY 0.00086 -0.05106 0.00011 0.00127 0.05781 135 4XZ -0.05258 -0.01032 -0.03500 -0.04569 -0.03840 136 4YZ 0.02785 0.04388 0.02379 0.00558 -0.03691 137 17 C 1S 0.00000 0.00221 0.00000 0.00000 0.03071 138 2S 0.00007 -0.06419 0.00015 0.00009 0.54797 139 2PX 0.00007 0.13763 0.00006 0.00006 0.00743 140 2PY -0.01818 0.00001 -0.11485 -0.01185 0.00007 141 2PZ 0.00003 0.00195 0.00004 0.00004 -0.00333 142 3S -0.00024 -0.06924 -0.00043 -0.00021 -1.12064 143 3PX -0.00003 0.08488 0.00000 -0.00018 0.02999 144 3PY 0.12160 -0.00010 0.44942 -0.05069 -0.00021 145 3PZ 0.00006 0.31926 -0.00001 -0.00007 -0.07542 146 4XX 0.00000 -0.01126 0.00000 0.00003 -0.00420 147 4YY -0.00001 -0.05705 0.00001 0.00002 0.05968 148 4ZZ 0.00001 0.04842 0.00001 -0.00002 0.04957 149 4XY -0.04029 0.00000 0.04885 -0.01242 0.00000 150 4XZ 0.00001 0.02229 0.00001 0.00002 -0.00585 151 4YZ 0.02863 -0.00001 -0.01800 0.01847 -0.00003 152 18 H 1S -0.27740 -0.18576 -0.14093 -0.02200 0.14029 153 2S -0.01053 0.70136 -0.15894 -0.71355 0.12632 154 19 H 1S -0.00002 0.09050 -0.00003 -0.00014 0.13743 155 2S 0.00001 -0.37425 0.00014 0.00030 0.11266 156 20 H 1S 0.27726 -0.18585 0.14089 0.02201 0.14016 157 2S 0.01103 0.70138 0.15916 0.71347 0.12621 158 21 O 1S 0.00954 -0.00331 0.00861 0.00800 -0.00260 159 2S 0.01623 0.02252 -0.14153 0.09455 0.01540 160 2PX -0.13675 0.00536 0.10093 0.01818 0.06739 161 2PY 0.01923 -0.14676 0.11237 0.05910 0.12824 162 2PZ 0.04501 0.05080 -0.21543 -0.06367 -0.01942 163 3S -0.33826 -0.02729 0.05000 -0.15620 0.13134 164 3PX 0.38646 0.03409 0.11470 -0.00534 -0.10971 165 3PY -0.05700 0.16087 -0.18453 -0.08463 -0.12243 166 3PZ 0.00655 -0.08086 0.32913 0.00428 0.04923 167 4XX 0.01964 0.00600 -0.07372 0.04055 0.00231 168 4YY 0.03570 0.02168 -0.00348 0.06418 -0.00337 169 4ZZ -0.03842 0.00237 -0.02751 -0.00580 0.00199 170 4XY -0.01737 0.00597 -0.00550 -0.01223 0.04023 171 4XZ -0.00832 -0.02935 -0.01716 0.04138 0.00381 172 4YZ -0.00036 -0.02006 -0.00113 -0.02115 0.01879 173 22 O 1S -0.00954 -0.00331 -0.00861 -0.00801 -0.00260 174 2S -0.01622 0.02248 0.14155 -0.09463 0.01517 175 2PX 0.13678 0.00534 -0.10084 -0.01815 0.06723 176 2PY 0.01933 0.14675 0.11242 0.05905 -0.12844 177 2PZ -0.04498 0.05081 0.21543 0.06379 -0.01943 178 3S 0.33829 -0.02736 -0.04991 0.15634 0.13179 179 3PX -0.38649 0.03426 -0.11483 0.00528 -0.10938 180 3PY -0.05710 -0.16085 -0.18462 -0.08454 0.12278 181 3PZ -0.00659 -0.08083 -0.32912 -0.00449 0.04926 182 4XX -0.01964 0.00598 0.07373 -0.04060 0.00224 183 4YY -0.03569 0.02168 0.00350 -0.06419 -0.00341 184 4ZZ 0.03842 0.00235 0.02752 0.00578 0.00187 185 4XY -0.01738 -0.00596 -0.00553 -0.01221 -0.04023 186 4XZ 0.00831 -0.02936 0.01715 -0.04139 0.00379 187 4YZ -0.00036 0.02006 -0.00113 -0.02119 -0.01879 188 23 H 1S -0.00006 -0.15610 -0.00007 0.00000 0.00086 189 2S 0.00014 0.13941 0.00017 0.00012 0.32790 106 107 108 109 110 V V V V V Eigenvalues -- 1.02297 1.02719 1.09204 1.09917 1.11414 1 1 C 1S -0.00452 -0.01302 0.00844 0.01557 -0.01728 2 2S -0.29742 -0.43552 0.29784 0.56376 -0.48822 3 2PX 0.02350 0.00627 0.01868 0.08125 -0.10469 4 2PY -0.00018 0.15770 0.03455 0.01713 -0.00860 5 2PZ -0.01075 0.05178 0.01716 0.12158 0.00908 6 3S 1.19534 1.77548 -0.82369 -1.78051 0.98504 7 3PX 0.09711 0.19974 -0.10674 -0.69580 0.27369 8 3PY -0.21640 -0.73487 0.17728 0.14346 -0.16492 9 3PZ 0.23028 0.11039 -0.03128 -0.70157 0.04996 10 4XX 0.00144 0.00942 -0.00585 -0.00602 -0.04631 11 4YY -0.00554 -0.04073 0.00474 0.09240 -0.05730 12 4ZZ -0.02816 -0.03214 0.03384 -0.01824 0.05689 13 4XY -0.00583 -0.01956 0.00350 0.08273 -0.01824 14 4XZ -0.00395 -0.00928 0.01785 0.01965 -0.02810 15 4YZ -0.01053 -0.04150 0.00539 -0.01692 0.01911 16 2 C 1S 0.00453 -0.01301 -0.00842 0.01557 -0.01728 17 2S 0.29775 -0.43490 -0.29704 0.56378 -0.48823 18 2PX -0.02356 0.00616 -0.01857 0.08129 -0.10467 19 2PY -0.00009 -0.15784 0.03453 -0.01715 0.00862 20 2PZ 0.01072 0.05169 -0.01703 0.12165 0.00910 21 3S -1.19668 1.77296 0.82143 -1.78003 0.98505 22 3PX -0.09738 0.20040 0.10587 -0.69635 0.27378 23 3PY -0.21664 0.73591 0.17718 -0.14409 0.16458 24 3PZ -0.23062 0.11102 0.03045 -0.70209 0.05020 25 4XX -0.00147 0.00944 0.00586 -0.00605 -0.04632 26 4YY 0.00560 -0.04075 -0.00462 0.09241 -0.05729 27 4ZZ 0.02818 -0.03207 -0.03388 -0.01823 0.05690 28 4XY -0.00587 0.01955 0.00339 -0.08271 0.01823 29 4XZ 0.00394 -0.00923 -0.01782 0.01964 -0.02810 30 4YZ -0.01053 0.04147 0.00544 0.01696 -0.01915 31 3 C 1S -0.01109 0.00049 -0.01214 -0.02077 -0.01136 32 2S -0.20599 0.22077 0.11699 -0.82705 0.05798 33 2PX 0.13603 -0.11896 0.05089 0.03395 -0.00560 34 2PY -0.06594 -0.10435 0.05035 -0.03921 0.11183 35 2PZ -0.01929 -0.06898 -0.05409 0.10214 -0.05831 36 3S 0.97237 -1.02805 -0.34299 2.75249 -0.53494 37 3PX -0.49702 0.72609 0.15989 -0.40560 0.17716 38 3PY 0.01521 0.02846 -0.36866 -0.61440 -0.13455 39 3PZ -0.26048 0.58269 0.38224 -0.35741 0.16081 40 4XX 0.00486 -0.01536 -0.03844 0.02454 -0.01703 41 4YY -0.01070 0.04091 0.02365 -0.02321 0.02739 42 4ZZ -0.02255 -0.01533 0.00584 -0.09210 -0.01665 43 4XY 0.00819 0.00165 -0.00932 -0.02553 0.03098 44 4XZ 0.01040 -0.01618 -0.02324 0.01904 -0.03534 45 4YZ 0.00528 -0.00422 0.00486 0.02555 -0.05509 46 4 C 1S -0.00743 0.00467 0.01166 0.00037 -0.01169 47 2S -0.10428 -0.35705 -0.24830 -0.10979 -0.32085 48 2PX 0.06245 -0.01816 -0.07774 0.16463 -0.13909 49 2PY -0.06468 -0.23757 -0.11580 -0.08595 -0.02966 50 2PZ -0.05797 -0.26387 -0.10681 -0.06421 -0.03482 51 3S 0.35254 0.97821 0.33853 0.07195 0.77628 52 3PX 0.04604 0.02536 0.45663 -0.24314 0.42675 53 3PY 0.19355 0.39358 0.34359 0.18716 0.19126 54 3PZ 0.15251 0.59436 0.32420 0.51693 0.12734 55 4XX -0.01655 0.01541 0.02902 -0.01053 -0.01838 56 4YY -0.00412 -0.03571 -0.02047 -0.00072 -0.04198 57 4ZZ -0.00472 -0.02520 -0.03156 -0.00565 0.00578 58 4XY -0.01190 0.11388 0.01241 0.09017 0.02995 59 4XZ -0.01824 0.01732 0.02205 -0.02379 0.05807 60 4YZ 0.00532 0.01921 0.02014 0.04168 0.05635 61 5 C 1S 0.00743 0.00468 -0.01165 0.00038 -0.01168 62 2S 0.10498 -0.35698 0.24845 -0.11012 -0.32053 63 2PX -0.06239 -0.01829 0.07799 0.16457 -0.13912 64 2PY -0.06499 0.23753 -0.11575 0.08609 0.02961 65 2PZ 0.05841 -0.26377 0.10678 -0.06435 -0.03469 66 3S -0.35465 0.97807 -0.33933 0.07239 0.77517 67 3PX -0.04610 0.02588 -0.45705 -0.24263 0.42688 68 3PY 0.19417 -0.39320 0.34365 -0.18786 -0.19110 69 3PZ -0.15313 0.59416 -0.32353 0.51748 0.12690 70 4XX 0.01650 0.01540 -0.02903 -0.01051 -0.01838 71 4YY 0.00420 -0.03569 0.02049 -0.00072 -0.04195 72 4ZZ 0.00479 -0.02518 0.03157 -0.00569 0.00579 73 4XY -0.01180 -0.11388 0.01233 -0.09018 -0.02997 74 4XZ 0.01821 0.01727 -0.02210 -0.02377 0.05802 75 4YZ 0.00531 -0.01920 0.02010 -0.04170 -0.05635 76 6 C 1S 0.01108 0.00050 0.01212 -0.02078 -0.01136 77 2S 0.20561 0.22078 -0.11800 -0.82691 0.05806 78 2PX -0.13593 -0.11912 -0.05082 0.03409 -0.00569 79 2PY -0.06604 0.10439 0.05041 0.03904 -0.11174 80 2PZ 0.01932 -0.06890 0.05420 0.10208 -0.05837 81 3S -0.97099 -1.02785 0.34658 2.75181 -0.53498 82 3PX 0.49646 0.72611 -0.16031 -0.40536 0.17722 83 3PY 0.01553 -0.02884 -0.36772 0.61527 0.13439 84 3PZ 0.26028 0.58280 -0.38250 -0.35690 0.16122 85 4XX -0.00484 -0.01534 0.03847 0.02449 -0.01703 86 4YY 0.01069 0.04088 -0.02368 -0.02315 0.02740 87 4ZZ 0.02252 -0.01530 -0.00595 -0.09212 -0.01665 88 4XY 0.00821 -0.00160 -0.00928 0.02552 -0.03095 89 4XZ -0.01036 -0.01618 0.02327 0.01901 -0.03530 90 4YZ 0.00529 0.00422 0.00480 -0.02555 0.05509 91 7 H 1S -0.03487 -0.04276 0.08695 -0.10254 -0.02499 92 2S -0.14767 -0.34925 0.09959 -0.10681 -0.16478 93 8 H 1S 0.03473 -0.04256 -0.08713 -0.10262 -0.02484 94 2S 0.14787 -0.34891 -0.09966 -0.10693 -0.16472 95 9 H 1S -0.03652 0.12664 0.05127 0.10746 -0.09542 96 2S -0.20909 0.00631 0.25257 -0.29653 0.19317 97 10 H 1S -0.07079 0.43348 0.29357 0.14123 0.09186 98 2S -0.09267 -1.12936 -0.88198 -0.22850 -0.75357 99 11 H 1S 0.07020 0.43343 -0.29345 0.14153 0.09177 100 2S 0.09427 -1.12931 0.88214 -0.22959 -0.75311 101 12 H 1S 0.03658 0.12659 -0.05108 0.10758 -0.09535 102 2S 0.20902 0.00638 -0.25294 -0.29608 0.19302 103 13 H 1S -0.06506 0.07383 -0.17679 -0.05064 -0.00829 104 2S 0.28565 -0.47089 0.23039 -0.38022 -0.01325 105 14 H 1S 0.06488 0.07378 0.17675 -0.05079 -0.00836 106 2S -0.28486 -0.47120 -0.23072 -0.37983 -0.01360 107 15 C 1S 0.01055 -0.00077 0.00464 0.00906 0.01456 108 2S -0.10622 0.04318 -0.08618 -0.21040 0.32955 109 2PX 0.18606 -0.06323 0.06190 0.13891 -0.16832 110 2PY -0.18761 -0.06828 0.01293 -0.00779 0.05683 111 2PZ 0.04740 -0.09589 -0.13360 0.01338 0.05962 112 3S 1.28394 -0.24106 0.37567 0.44927 -0.04740 113 3PX -0.36660 0.03929 0.16439 0.21905 0.43519 114 3PY 1.23295 0.18468 0.21539 0.03762 -0.33760 115 3PZ 0.10711 0.17225 1.09971 0.11846 -0.13337 116 4XX 0.01128 0.00978 -0.04106 0.05135 -0.02860 117 4YY 0.01929 -0.00785 0.00390 -0.05461 0.04734 118 4ZZ 0.02235 0.00407 0.05029 0.04401 0.02858 119 4XY 0.00689 -0.01562 0.01316 0.01727 -0.01445 120 4XZ 0.07231 0.01524 0.01459 -0.01272 0.00874 121 4YZ 0.00018 0.04909 0.00215 -0.05359 -0.08902 122 16 C 1S -0.01054 -0.00077 -0.00463 0.00907 0.01455 123 2S 0.10626 0.04370 0.08597 -0.21051 0.32936 124 2PX -0.18604 -0.06347 -0.06175 0.13901 -0.16834 125 2PY -0.18769 0.06808 0.01295 0.00774 -0.05676 126 2PZ -0.04729 -0.09601 0.13364 0.01324 0.05962 127 3S -1.28384 -0.24384 -0.37536 0.44946 -0.04622 128 3PX 0.36672 0.03974 -0.16417 0.21905 0.43571 129 3PY 1.23310 -0.18301 0.21540 -0.03779 0.33701 130 3PZ -0.10707 0.17233 -1.09956 0.11944 -0.13317 131 4XX -0.01129 0.00979 0.04116 0.05130 -0.02858 132 4YY -0.01927 -0.00785 -0.00397 -0.05462 0.04732 133 4ZZ -0.02235 0.00405 -0.05028 0.04408 0.02860 134 4XY 0.00691 0.01562 0.01313 -0.01729 0.01444 135 4XZ -0.07235 0.01517 -0.01461 -0.01271 0.00874 136 4YZ 0.00022 -0.04909 0.00220 0.05356 0.08902 137 17 C 1S 0.00001 -0.00105 0.00002 0.02834 -0.03483 138 2S 0.00003 0.28301 0.00039 0.55261 -0.49460 139 2PX -0.00019 0.33932 0.00008 0.10045 -0.03356 140 2PY -0.25317 -0.00016 0.00513 0.00001 0.00000 141 2PZ -0.00009 0.09396 -0.00004 -0.02686 0.02141 142 3S 0.00013 -0.94488 -0.00109 -1.64840 0.76985 143 3PX 0.00053 -1.00406 -0.00028 -0.29716 0.20864 144 3PY 0.75486 0.00051 0.36819 -0.00018 -0.00004 145 3PZ 0.00015 -0.17183 0.00001 -0.32311 -0.47080 146 4XX -0.00007 0.12178 0.00002 0.01924 -0.10786 147 4YY -0.00002 0.04701 0.00001 0.02847 0.00343 148 4ZZ 0.00010 -0.11867 0.00002 0.01476 -0.03329 149 4XY 0.00348 0.00000 -0.14957 0.00010 -0.00001 150 4XZ -0.00003 0.04052 -0.00003 -0.05229 -0.15562 151 4YZ 0.10162 0.00007 0.05857 -0.00004 0.00004 152 18 H 1S -0.07743 -0.00179 -0.24488 0.08694 -0.02624 153 2S -0.14390 0.16850 -0.29751 -0.04623 -0.02367 154 19 H 1S 0.00032 -0.47991 0.00007 0.10624 -0.03800 155 2S -0.00054 1.02057 0.00021 0.55774 0.19710 156 20 H 1S 0.07752 -0.00169 0.24497 0.08665 -0.02626 157 2S 0.14376 0.16834 0.29756 -0.04637 -0.02374 158 21 O 1S -0.00630 -0.00082 -0.00160 0.00676 0.01301 159 2S -0.45985 -0.12946 0.00513 0.07720 0.21749 160 2PX -0.26721 -0.05564 -0.34306 -0.03128 0.07800 161 2PY 0.37367 0.06641 -0.25194 0.11447 -0.13252 162 2PZ 0.03931 0.06605 0.26375 -0.31539 -0.41537 163 3S 1.13267 0.11696 -0.18406 -0.24673 -0.75774 164 3PX 0.45524 0.15979 0.71518 0.24728 -0.11886 165 3PY -0.65944 -0.21023 0.38782 -0.20270 0.16375 166 3PZ -0.00463 -0.18297 -0.30448 0.62066 0.72921 167 4XX -0.12942 -0.07382 0.09947 0.01284 0.14785 168 4YY -0.09188 -0.03567 -0.04616 0.03109 -0.03221 169 4ZZ -0.21128 -0.01692 -0.04754 0.00746 0.08805 170 4XY -0.01512 -0.05144 0.01392 0.00649 0.04816 171 4XZ -0.00424 -0.00418 -0.06624 0.02080 0.00927 172 4YZ -0.01383 0.04611 0.00117 -0.01465 -0.02440 173 22 O 1S 0.00630 -0.00080 0.00160 0.00675 0.01302 174 2S 0.46002 -0.12886 -0.00510 0.07713 0.21747 175 2PX 0.26730 -0.05532 0.34296 -0.03170 0.07809 176 2PY 0.37366 -0.06602 -0.25206 -0.11414 0.13252 177 2PZ -0.03935 0.06597 -0.26401 -0.31506 -0.41558 178 3S -1.13276 0.11555 0.18402 -0.24662 -0.75793 179 3PX -0.45544 0.15923 -0.71479 0.24806 -0.11886 180 3PY -0.65956 0.20954 0.38803 0.20215 -0.16371 181 3PZ 0.00481 -0.18297 0.30501 0.62023 0.72962 182 4XX 0.12950 -0.07364 -0.09951 0.01293 0.14780 183 4YY 0.09193 -0.03552 0.04620 0.03100 -0.03221 184 4ZZ 0.21130 -0.01668 0.04754 0.00738 0.08809 185 4XY -0.01521 0.05143 0.01391 -0.00651 -0.04815 186 4XZ 0.00425 -0.00414 0.06627 0.02072 0.00926 187 4YZ -0.01380 -0.04611 0.00119 0.01466 0.02438 188 23 H 1S 0.00000 0.03417 0.00008 0.10068 -0.05043 189 2S -0.00022 0.62620 0.00038 0.47056 -0.32782 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15181 1.18938 1.20406 1.25130 1 1 C 1S -0.00257 -0.00062 -0.00168 -0.00952 -0.04030 2 2S -0.01220 -0.04040 -0.18482 -0.35398 -0.90569 3 2PX -0.00654 0.01642 0.00058 -0.08112 -0.03392 4 2PY -0.05874 0.07551 -0.04395 -0.07628 -0.00015 5 2PZ -0.05676 0.02493 0.05181 -0.11857 0.15854 6 3S -0.39072 0.43606 0.02601 -0.07354 3.44763 7 3PX 0.62417 -0.04968 0.10611 0.45824 -0.04327 8 3PY 0.22561 -0.32295 0.42587 -0.85427 0.19823 9 3PZ 1.03964 -0.08626 0.14556 0.27891 -0.77026 10 4XX -0.05806 -0.02309 -0.00630 -0.02537 -0.04051 11 4YY 0.00412 0.00960 -0.02824 -0.01240 -0.01614 12 4ZZ 0.06677 0.00567 0.02312 -0.00043 -0.03164 13 4XY 0.03513 0.01180 -0.11161 0.02839 -0.06144 14 4XZ -0.01239 0.00409 0.00683 -0.05169 -0.07663 15 4YZ 0.05343 -0.04280 0.12668 -0.00006 -0.01151 16 2 C 1S 0.00256 -0.00064 -0.00169 0.00953 0.04029 17 2S 0.01185 -0.04066 -0.18512 0.35403 0.90542 18 2PX 0.00652 0.01634 0.00054 0.08119 0.03381 19 2PY -0.05896 -0.07536 0.04395 -0.07635 -0.00008 20 2PZ 0.05679 0.02471 0.05180 0.11861 -0.15863 21 3S 0.39269 0.43560 0.02658 0.07347 -3.44702 22 3PX -0.62403 -0.04773 0.10622 -0.45842 0.04357 23 3PY 0.22698 0.32298 -0.42540 -0.85419 0.19812 24 3PZ -1.03975 -0.08336 0.14539 -0.27915 0.77056 25 4XX 0.05801 -0.02324 -0.00629 0.02532 0.04055 26 4YY -0.00415 0.00959 -0.02823 0.01241 0.01610 27 4ZZ -0.06674 0.00584 0.02307 0.00046 0.03164 28 4XY 0.03511 -0.01188 0.11160 0.02842 -0.06147 29 4XZ 0.01238 0.00405 0.00681 0.05171 0.07658 30 4YZ 0.05354 0.04267 -0.12668 -0.00007 -0.01154 31 3 C 1S -0.00787 -0.00317 0.00507 -0.02078 -0.00100 32 2S 0.40009 -0.27330 0.07653 -0.20107 -0.26963 33 2PX -0.03907 -0.16544 -0.02941 -0.02841 0.02083 34 2PY -0.29258 -0.05565 -0.10080 -0.33620 0.05190 35 2PZ -0.14153 -0.01237 0.08605 0.02005 0.06976 36 3S 0.28179 0.38173 -0.77919 1.58176 0.88748 37 3PX -0.01147 0.43449 -0.16962 0.24596 -0.56022 38 3PY 0.60632 0.03521 0.87149 1.77726 -0.14241 39 3PZ 0.63209 0.26735 -0.95481 -0.38291 -0.33110 40 4XX -0.02635 0.03281 -0.05379 0.00358 0.04302 41 4YY 0.02251 -0.01588 -0.01819 -0.13685 0.00397 42 4ZZ 0.02464 -0.04212 0.06159 0.08046 -0.04662 43 4XY -0.04112 0.01490 0.01870 0.05776 -0.05132 44 4XZ 0.10567 -0.00362 0.00812 0.01917 0.02171 45 4YZ 0.03878 0.01699 0.00909 0.02210 0.07807 46 4 C 1S 0.02843 -0.00262 -0.03866 -0.01355 0.01253 47 2S 0.38603 -0.05455 -0.80677 -0.18742 0.28744 48 2PX -0.08588 -0.01437 -0.11810 0.00187 -0.15126 49 2PY 0.01174 0.04194 0.04723 -0.04684 0.01432 50 2PZ 0.12800 0.10674 0.03618 -0.16526 0.03514 51 3S -1.27925 -0.35363 2.26007 1.55263 -0.92147 52 3PX 0.42728 -0.06829 0.05005 -0.38255 0.81741 53 3PY -0.53832 -0.16541 0.30013 -1.06554 0.24197 54 3PZ -0.56725 -0.04875 -0.52350 0.43450 -0.39178 55 4XX -0.01100 0.00150 0.00530 0.00939 -0.00439 56 4YY 0.01728 0.01418 -0.07305 0.01428 0.01318 57 4ZZ 0.05085 -0.02494 -0.05729 -0.03755 0.02256 58 4XY -0.00168 0.00978 -0.06082 -0.00512 -0.00761 59 4XZ -0.06514 -0.04521 -0.00096 0.04319 -0.09963 60 4YZ -0.03494 0.00109 -0.08695 -0.06302 -0.00477 61 5 C 1S -0.02843 -0.00255 -0.03867 0.01353 -0.01250 62 2S -0.38616 -0.05369 -0.80687 0.18699 -0.28702 63 2PX 0.08577 -0.01458 -0.11810 -0.00190 0.15106 64 2PY 0.01168 -0.04195 -0.04722 -0.04691 0.01428 65 2PZ -0.12775 0.10698 0.03610 0.16534 -0.03509 66 3S 1.27819 -0.35611 2.26090 -1.55155 0.91976 67 3PX -0.42717 -0.06733 0.04993 0.38247 -0.81695 68 3PY -0.53799 0.16689 -0.29973 -1.06566 0.24250 69 3PZ 0.56719 -0.05003 -0.52346 -0.43502 0.39197 70 4XX 0.01101 0.00147 0.00531 -0.00943 0.00451 71 4YY -0.01723 0.01423 -0.07308 -0.01429 -0.01314 72 4ZZ -0.05093 -0.02482 -0.05728 0.03752 -0.02264 73 4XY -0.00172 -0.00977 0.06083 -0.00513 -0.00750 74 4XZ 0.06506 -0.04536 -0.00094 -0.04323 0.09964 75 4YZ -0.03497 -0.00098 0.08696 -0.06299 -0.00480 76 6 C 1S 0.00786 -0.00320 0.00507 0.02079 0.00097 77 2S -0.40055 -0.27240 0.07638 0.20108 0.26926 78 2PX 0.03868 -0.16545 -0.02942 0.02837 -0.02097 79 2PY -0.29255 0.05648 0.10087 -0.33611 0.05187 80 2PZ 0.14134 -0.01265 0.08611 -0.02007 -0.06980 81 3S -0.28154 0.38331 -0.77854 -1.58207 -0.88653 82 3PX 0.01276 0.43416 -0.16985 -0.24595 0.56081 83 3PY 0.60662 -0.03728 -0.87194 1.77692 -0.14269 84 3PZ -0.63074 0.26838 -0.95534 0.38283 0.33177 85 4XX 0.02639 0.03276 -0.05378 -0.00353 -0.04306 86 4YY -0.02252 -0.01586 -0.01824 0.13682 -0.00404 87 4ZZ -0.02471 -0.04205 0.06161 -0.08048 0.04671 88 4XY -0.04116 -0.01483 -0.01872 0.05775 -0.05132 89 4XZ -0.10570 -0.00334 0.00811 -0.01913 -0.02181 90 4YZ 0.03877 -0.01708 -0.00912 0.02216 0.07803 91 7 H 1S 0.39921 -0.07368 0.14162 -0.05171 -0.37774 92 2S 0.39235 -0.13829 -0.02449 0.02713 -0.65740 93 8 H 1S -0.39948 -0.07275 0.14150 0.05173 0.37773 94 2S -0.39277 -0.13731 -0.02465 -0.02726 0.65755 95 9 H 1S -0.09791 0.04752 -0.13570 -0.54273 -0.05601 96 2S -0.29737 -0.20055 -0.30652 -0.82820 -0.06671 97 10 H 1S -0.00111 -0.08624 -0.10656 0.14351 -0.08679 98 2S 0.46161 0.24046 -0.36889 -0.08249 0.02828 99 11 H 1S 0.00096 -0.08619 -0.10659 -0.14367 0.08694 100 2S -0.46133 0.24150 -0.36892 0.08247 -0.02826 101 12 H 1S 0.09804 0.04708 -0.13589 0.54275 0.05580 102 2S 0.29714 -0.20154 -0.30683 0.82807 0.06661 103 13 H 1S -0.25532 -0.04386 -0.13647 0.08293 -0.18549 104 2S -0.49793 0.06760 -0.13541 0.20963 -0.35715 105 14 H 1S 0.25526 -0.04446 -0.13644 -0.08304 0.18561 106 2S 0.49818 0.06649 -0.13533 -0.20967 0.35761 107 15 C 1S -0.00045 0.02009 -0.00437 -0.00221 0.00741 108 2S -0.58308 0.13844 0.00691 -0.10256 0.25544 109 2PX 0.10247 0.04475 0.03918 0.09915 -0.16324 110 2PY -0.09993 0.07467 -0.06242 0.13992 0.04364 111 2PZ -0.10550 0.14708 0.11896 -0.07882 -0.13900 112 3S 2.40268 0.24526 0.10786 -0.94442 -0.57669 113 3PX 0.78422 0.10026 0.27648 -0.81509 1.00126 114 3PY 1.00196 -0.32119 0.36070 -0.65038 -0.10636 115 3PZ 0.95193 -0.09114 0.12064 -0.13834 1.11297 116 4XX 0.01192 0.09082 -0.08401 -0.02727 -0.08939 117 4YY 0.00072 0.00652 -0.02582 -0.00739 0.00789 118 4ZZ 0.01226 -0.04742 0.10279 -0.02349 0.11845 119 4XY 0.00277 -0.10439 -0.12498 -0.01386 -0.00727 120 4XZ -0.01113 -0.03151 -0.02072 -0.05658 0.02442 121 4YZ 0.00623 0.00928 0.02989 0.01881 0.03739 122 16 C 1S 0.00050 0.02009 -0.00437 0.00222 -0.00739 123 2S 0.58363 0.13689 0.00703 0.10251 -0.25512 124 2PX -0.10250 0.04508 0.03914 -0.09906 0.16311 125 2PY -0.10016 -0.07451 0.06234 0.13991 0.04372 126 2PZ 0.10588 0.14679 0.11896 0.07895 0.13908 127 3S -2.40221 0.25078 0.10700 0.94457 0.57641 128 3PX -0.78390 0.10168 0.27623 0.81506 -1.00069 129 3PY 1.00309 0.31897 -0.36039 -0.65052 -0.10641 130 3PZ -0.95208 -0.08908 0.12044 0.13819 -1.11287 131 4XX -0.01173 0.09083 -0.08402 0.02725 0.08957 132 4YY -0.00066 0.00653 -0.02580 0.00737 -0.00792 133 4ZZ -0.01239 -0.04741 0.10277 0.02353 -0.11849 134 4XY 0.00301 0.10438 0.12500 -0.01381 -0.00744 135 4XZ 0.01107 -0.03156 -0.02073 0.05656 -0.02437 136 4YZ 0.00622 -0.00929 -0.02992 0.01880 0.03741 137 17 C 1S -0.00004 -0.02226 0.04282 0.00000 0.00003 138 2S -0.00057 -0.30698 0.74515 0.00010 0.00051 139 2PX -0.00005 -0.06255 -0.28986 -0.00006 0.00000 140 2PY 0.03737 -0.00004 0.00000 0.00613 0.05638 141 2PZ -0.00021 -0.17961 -0.02063 -0.00004 -0.00001 142 3S 0.00104 0.52648 -1.16914 -0.00012 -0.00150 143 3PX -0.00059 -0.47141 0.38994 -0.00007 -0.00001 144 3PY 0.44461 -0.00043 0.00028 -0.60836 0.11047 145 3PZ 0.00090 0.72201 -0.40985 0.00006 0.00013 146 4XX -0.00003 -0.00525 -0.00708 0.00002 0.00003 147 4YY 0.00006 0.04345 0.11032 0.00002 -0.00004 148 4ZZ -0.00020 -0.15071 0.01010 -0.00003 0.00005 149 4XY -0.00381 0.00003 -0.00001 0.01964 -0.07459 150 4XZ -0.00027 -0.20513 0.00392 -0.00003 0.00003 151 4YZ -0.07035 0.00008 -0.00001 0.06266 0.01610 152 18 H 1S -0.19154 0.04897 0.24742 0.01463 -0.33503 153 2S -0.20027 -0.18461 -0.10089 0.16675 -0.34002 154 19 H 1S -0.00008 -0.03261 0.16180 0.00000 0.00015 155 2S -0.00079 -0.59776 0.58143 0.00000 0.00012 156 20 H 1S 0.19160 0.04853 0.24745 -0.01452 0.33511 157 2S 0.19987 -0.18491 -0.10083 -0.16694 0.34031 158 21 O 1S 0.00271 0.01386 0.01444 -0.00266 0.00396 159 2S -0.06906 0.27703 0.18828 -0.02839 0.01551 160 2PX -0.01807 -0.42861 -0.05386 0.14117 0.02058 161 2PY -0.03335 -0.16118 0.23453 -0.02796 -0.10506 162 2PZ -0.25387 0.11363 0.00034 0.24966 -0.09664 163 3S -0.37950 -0.66704 -0.37346 0.15456 -0.48063 164 3PX 0.38237 0.80318 0.10768 -0.46113 0.17396 165 3PY -0.01368 0.27365 -0.47978 0.08491 0.17033 166 3PZ 0.59729 -0.13723 0.11916 -0.65357 0.22198 167 4XX -0.03577 0.09327 0.09064 0.00384 0.08650 168 4YY -0.04328 -0.04852 0.04909 -0.00813 -0.01456 169 4ZZ 0.01551 0.19995 0.00773 -0.00424 -0.05326 170 4XY 0.00150 -0.01901 0.01804 0.03715 0.00453 171 4XZ -0.05750 0.05030 0.05267 -0.02289 -0.06194 172 4YZ -0.00735 0.05362 0.06413 0.03458 0.00266 173 22 O 1S -0.00267 0.01387 0.01444 0.00266 -0.00398 174 2S 0.06975 0.27683 0.18838 0.02851 -0.01553 175 2PX 0.01710 -0.42862 -0.05376 -0.14140 -0.02081 176 2PY -0.03292 0.16129 -0.23455 -0.02796 -0.10518 177 2PZ 0.25403 0.11322 0.00042 -0.24950 0.09644 178 3S 0.37769 -0.66775 -0.37364 -0.15475 0.48109 179 3PX -0.38058 0.80387 0.10734 0.46155 -0.17337 180 3PY -0.01434 -0.27371 0.47981 0.08487 0.17041 181 3PZ -0.59747 -0.13625 0.11889 0.65331 -0.22139 182 4XX 0.03603 0.09321 0.09066 -0.00377 -0.08663 183 4YY 0.04314 -0.04864 0.04915 0.00811 0.01470 184 4ZZ -0.01501 0.19995 0.00774 0.00430 0.05316 185 4XY 0.00152 0.01897 -0.01807 0.03718 0.00458 186 4XZ 0.05761 0.05015 0.05268 0.02293 0.06200 187 4YZ -0.00745 -0.05366 -0.06414 0.03450 0.00275 188 23 H 1S 0.00026 0.23457 0.17324 0.00008 0.00015 189 2S -0.00011 -0.03986 -0.11232 -0.00001 0.00027 116 117 118 119 120 V V V V V Eigenvalues -- 1.26444 1.36727 1.37043 1.39834 1.42716 1 1 C 1S 0.01226 0.00330 0.02931 -0.00467 0.01976 2 2S 0.34798 0.08708 0.56133 -0.12290 0.40288 3 2PX 0.10634 0.06348 0.03722 0.02797 0.00537 4 2PY 0.08202 0.00678 -0.01957 -0.06945 -0.02602 5 2PZ 0.10529 0.03892 0.07476 -0.05082 0.09540 6 3S -0.62557 -0.21483 -1.90521 0.03524 -2.72082 7 3PX -0.43446 -0.22941 -0.59539 0.29017 -0.90096 8 3PY -0.20056 -0.02415 -0.40947 0.41269 -1.27715 9 3PZ -0.40511 -0.17325 -0.25587 0.39811 -1.30266 10 4XX -0.00592 -0.15175 0.12151 -0.19814 0.08203 11 4YY 0.06995 0.04890 0.00221 -0.04168 -0.00145 12 4ZZ -0.05184 0.09875 -0.07759 0.22881 -0.07083 13 4XY -0.00337 0.04171 -0.00476 0.02397 0.01594 14 4XZ 0.04863 0.05837 0.05472 -0.06705 -0.00708 15 4YZ -0.01371 -0.05323 0.02866 -0.11104 -0.01245 16 2 C 1S 0.01230 0.00324 -0.02932 -0.00469 -0.01976 17 2S 0.34887 0.08576 -0.56148 -0.12322 -0.40277 18 2PX 0.10634 0.06340 -0.03736 0.02796 -0.00539 19 2PY -0.08202 -0.00683 -0.01963 0.06944 -0.02613 20 2PZ 0.10510 0.03870 -0.07478 -0.05089 -0.09531 21 3S -0.62938 -0.20969 1.90613 0.03652 2.72131 22 3PX -0.43444 -0.22757 0.59565 0.29055 0.90066 23 3PY 0.20098 0.02308 -0.40900 -0.41332 -1.27663 24 3PZ -0.40430 -0.17185 0.25587 0.39848 1.30201 25 4XX -0.00587 -0.15199 -0.12111 -0.19822 -0.08181 26 4YY 0.06996 0.04888 -0.00230 -0.04170 0.00146 27 4ZZ -0.05181 0.09891 0.07728 0.22888 0.07062 28 4XY 0.00330 -0.04170 -0.00466 -0.02395 0.01595 29 4XZ 0.04870 0.05829 -0.05480 -0.06705 0.00710 30 4YZ 0.01372 0.05326 0.02853 0.11102 -0.01252 31 3 C 1S 0.02392 -0.00358 -0.00677 0.03051 0.00200 32 2S 0.22069 -0.04052 -0.01110 0.38698 0.13178 33 2PX 0.09521 0.00168 0.04840 0.08856 0.04697 34 2PY 0.00775 0.08484 0.06382 -0.07729 -0.07158 35 2PZ 0.04007 0.00422 -0.04337 0.00874 0.01713 36 3S -0.72276 -0.20010 -0.47706 -1.03765 -1.49117 37 3PX -0.49298 -0.09154 -0.14287 -0.30275 0.17429 38 3PY -0.42594 -0.06662 -0.29314 0.47516 1.33459 39 3PZ -0.58914 -0.42109 0.46518 -0.24961 -0.28028 40 4XX -0.00537 0.08815 0.09559 0.19322 0.03472 41 4YY 0.06299 0.05500 0.02960 -0.05784 -0.06528 42 4ZZ -0.04324 -0.15738 -0.12080 -0.07231 -0.00174 43 4XY -0.00121 0.05285 -0.03348 0.04495 0.05950 44 4XZ 0.07344 0.05176 0.01896 -0.00089 0.01863 45 4YZ -0.00016 -0.09289 -0.07954 -0.16041 -0.08206 46 4 C 1S -0.04202 -0.03922 0.02435 0.00602 -0.02058 47 2S -0.63838 -0.61913 0.27408 0.37943 -0.23051 48 2PX 0.18512 -0.11455 -0.14682 -0.00631 -0.08337 49 2PY -0.01356 0.10163 0.05211 -0.06499 -0.01099 50 2PZ 0.00068 0.20116 0.08259 -0.15534 -0.03380 51 3S 1.87459 1.34422 -1.31620 0.00550 1.59077 52 3PX -0.37774 0.22948 0.85114 -0.05282 0.28448 53 3PY 0.53905 0.18669 0.30515 0.18206 -0.32755 54 3PZ -0.11698 -0.40868 -0.29433 -0.02061 -0.36395 55 4XX -0.07912 -0.08733 -0.02624 -0.06995 -0.05211 56 4YY -0.04832 -0.05729 -0.01100 0.00786 0.00258 57 4ZZ 0.01809 0.07261 0.07471 0.09478 0.03753 58 4XY 0.09061 0.07423 0.04396 0.07225 0.02512 59 4XZ -0.00982 -0.00445 -0.08840 0.00125 -0.00854 60 4YZ -0.01384 0.13577 0.04099 0.00584 -0.02393 61 5 C 1S -0.04204 -0.03925 -0.02428 0.00601 0.02058 62 2S -0.63875 -0.61959 -0.27320 0.37924 0.23042 63 2PX 0.18526 -0.11424 0.14707 -0.00616 0.08346 64 2PY 0.01357 -0.10157 0.05227 0.06505 -0.01100 65 2PZ 0.00060 0.20102 -0.08288 -0.15539 0.03388 66 3S 1.87606 1.34611 1.31376 0.00623 -1.59126 67 3PX -0.37855 0.22756 -0.85158 -0.05357 -0.28463 68 3PY -0.53849 -0.18587 0.30553 -0.18173 -0.32750 69 3PZ -0.11658 -0.40783 0.29526 -0.02023 0.36411 70 4XX -0.07913 -0.08724 0.02650 -0.06992 0.05224 71 4YY -0.04833 -0.05722 0.01108 0.00788 -0.00257 72 4ZZ 0.01808 0.07238 -0.07495 0.09470 -0.03767 73 4XY -0.09061 -0.07414 0.04421 -0.07221 0.02533 74 4XZ -0.00971 -0.00429 0.08847 0.00135 0.00865 75 4YZ 0.01385 -0.13570 0.04123 -0.00582 -0.02396 76 6 C 1S 0.02392 -0.00358 0.00678 0.03050 -0.00200 77 2S 0.22104 -0.04092 0.01113 0.38697 -0.13183 78 2PX 0.09520 0.00148 -0.04845 0.08858 -0.04702 79 2PY -0.00765 -0.08469 0.06390 0.07732 -0.07167 80 2PZ 0.03998 0.00431 0.04332 0.00873 -0.01718 81 3S -0.72378 -0.19725 0.47731 -1.03704 1.49123 82 3PX -0.49234 -0.09124 0.14336 -0.30261 -0.17377 83 3PY 0.42551 0.06653 -0.29263 -0.47507 1.33540 84 3PZ -0.58869 -0.42198 -0.46406 -0.24974 0.28106 85 4XX -0.00540 0.08798 -0.09590 0.19312 -0.03491 86 4YY 0.06297 0.05488 -0.02962 -0.05790 0.06534 87 4ZZ -0.04318 -0.15713 0.12115 -0.07217 0.00186 88 4XY 0.00114 -0.05294 -0.03339 -0.04506 0.05949 89 4XZ 0.07342 0.05172 -0.01913 -0.00091 -0.01873 90 4YZ 0.00025 0.09273 -0.07983 0.16037 -0.08217 91 7 H 1S -0.06935 -0.04126 0.01281 0.19102 -0.23650 92 2S -0.22137 -0.14764 -0.04581 0.24123 -0.43847 93 8 H 1S -0.06896 -0.04115 -0.01292 0.19109 0.23626 94 2S -0.22068 -0.14728 0.04584 0.24139 0.43813 95 9 H 1S 0.24027 -0.07979 0.12326 0.04831 -0.16489 96 2S 0.14687 0.05394 0.12090 -0.05559 -0.34025 97 10 H 1S -0.15634 -0.17622 -0.07077 -0.03537 -0.13077 98 2S -0.12877 -0.30993 -0.06169 0.14667 -0.17723 99 11 H 1S -0.15628 -0.17600 0.07110 -0.03530 0.13079 100 2S -0.12886 -0.30966 0.06219 0.14676 0.17733 101 12 H 1S 0.24023 -0.08005 -0.12302 0.04824 0.16504 102 2S 0.14682 0.05358 -0.12080 -0.05562 0.34060 103 13 H 1S -0.17113 -0.21657 -0.17215 0.02044 0.00121 104 2S -0.47094 0.11114 -0.39305 0.00442 -0.05614 105 14 H 1S -0.17094 -0.21619 0.17251 0.02055 -0.00121 106 2S -0.47056 0.11192 0.39278 0.00478 0.05606 107 15 C 1S -0.01131 0.01606 -0.02507 -0.02890 -0.00965 108 2S -0.31830 0.38172 -0.34987 -0.50975 -0.36810 109 2PX 0.13204 -0.07668 0.03623 0.15008 0.07935 110 2PY 0.11102 0.03976 -0.00263 -0.04249 0.06979 111 2PZ 0.01297 0.17787 -0.08792 -0.10669 0.00326 112 3S 0.36067 -0.57681 1.52907 1.15188 1.28206 113 3PX -0.44515 -0.20697 -0.41935 0.05036 0.35582 114 3PY -0.23810 -0.11033 1.91705 -0.10736 -0.34139 115 3PZ -0.24793 -0.51278 0.14093 0.49910 -0.18125 116 4XX -0.14383 -0.02780 -0.15322 -0.13948 0.01152 117 4YY 0.02602 0.05753 0.01370 -0.09253 -0.00072 118 4ZZ 0.02884 -0.01611 0.08836 0.22981 0.00603 119 4XY -0.12682 0.24441 0.03336 -0.07505 -0.01104 120 4XZ -0.04358 0.17096 -0.07182 -0.01107 -0.02501 121 4YZ -0.00765 -0.10528 0.00051 -0.09736 -0.09730 122 16 C 1S -0.01132 0.01610 0.02506 -0.02890 0.00967 123 2S -0.31858 0.38235 0.34934 -0.50956 0.36827 124 2PX 0.13218 -0.07675 -0.03616 0.15007 -0.07938 125 2PY -0.11100 -0.03982 -0.00261 0.04251 0.06975 126 2PZ 0.01311 0.17804 0.08765 -0.10662 -0.00325 127 3S 0.36129 -0.57981 -1.52834 1.15117 -1.28223 128 3PX -0.44606 -0.20655 0.41974 0.05033 -0.35587 129 3PY 0.23807 0.11420 1.91691 0.10789 -0.34129 130 3PZ -0.24897 -0.51326 -0.13985 0.49918 0.18114 131 4XX -0.14373 -0.02757 0.15333 -0.13934 -0.01157 132 4YY 0.02601 0.05746 -0.01376 -0.09256 0.00076 133 4ZZ 0.02870 -0.01621 -0.08842 0.22972 -0.00600 134 4XY 0.12683 -0.24438 0.03374 0.07507 -0.01116 135 4XZ -0.04358 0.17107 0.07150 -0.01103 0.02503 136 4YZ 0.00767 0.10530 0.00028 0.09724 -0.09726 137 17 C 1S -0.05234 -0.00937 0.00000 0.02837 0.00000 138 2S -0.82028 0.04644 -0.00009 0.32665 0.00000 139 2PX -0.05179 0.02877 -0.00003 -0.04113 0.00001 140 2PY 0.00004 -0.00018 -0.17748 -0.00001 0.06184 141 2PZ 0.00193 0.03011 -0.00005 0.01053 0.00000 142 3S 2.59753 -0.03905 0.00018 -1.08479 -0.00007 143 3PX 0.02763 -0.30914 0.00021 0.26521 -0.00006 144 3PY 0.00016 -0.00095 -0.98905 -0.00007 0.27319 145 3PZ -0.30562 0.12323 -0.00018 0.05756 0.00013 146 4XX -0.08376 0.07476 -0.00009 0.08339 0.00001 147 4YY 0.10593 -0.07448 0.00005 -0.00379 -0.00005 148 4ZZ -0.08508 -0.01018 0.00004 -0.05407 0.00004 149 4XY -0.00006 0.00007 0.06744 -0.00010 -0.36238 150 4XZ -0.07623 0.12740 -0.00011 -0.04479 -0.00002 151 4YZ 0.00004 0.00013 0.16920 0.00012 0.29045 152 18 H 1S -0.00543 -0.04472 -0.14537 -0.04199 0.15830 153 2S -0.37767 -0.19599 -0.29857 -0.02654 0.29765 154 19 H 1S -0.24447 -0.12868 0.00009 0.14251 -0.00001 155 2S -0.15183 0.08178 -0.00011 0.16880 -0.00005 156 20 H 1S -0.00511 -0.04440 0.14548 -0.04196 -0.15831 157 2S -0.37732 -0.19530 0.29891 -0.02651 -0.29765 158 21 O 1S 0.01455 -0.01718 0.00042 0.01508 0.01365 159 2S 0.05289 -0.18686 -0.11837 0.14218 0.27646 160 2PX 0.21548 -0.03713 0.30955 -0.07776 -0.05467 161 2PY -0.04584 0.02621 0.10734 -0.03037 0.02990 162 2PZ 0.11004 0.11065 0.23783 -0.01677 -0.19769 163 3S -0.51414 0.73199 0.07608 -0.51147 -0.78428 164 3PX -0.58260 -0.03076 -0.94746 0.49749 0.27281 165 3PY -0.07592 0.04173 -0.50156 0.07310 -0.00131 166 3PZ -0.39573 -0.27993 -0.85894 0.18069 0.65036 167 4XX 0.11652 -0.05533 0.01965 0.19823 0.23038 168 4YY -0.11176 0.05183 0.03172 0.00863 0.05921 169 4ZZ 0.09463 -0.18563 -0.12795 -0.06390 -0.07438 170 4XY 0.06692 -0.08974 0.06619 -0.06217 0.20147 171 4XZ -0.02395 -0.00090 -0.10039 -0.04661 0.06393 172 4YZ 0.07714 -0.01145 0.05882 0.12319 -0.19169 173 22 O 1S 0.01455 -0.01719 -0.00039 0.01508 -0.01366 174 2S 0.05297 -0.18685 0.11868 0.14232 -0.27649 175 2PX 0.21550 -0.03768 -0.30949 -0.07788 0.05461 176 2PY 0.04569 -0.02598 0.10741 0.03038 0.02988 177 2PZ 0.11017 0.11022 -0.23803 -0.01674 0.19769 178 3S -0.51397 0.73243 -0.07727 -0.51170 0.78448 179 3PX -0.58287 -0.02910 0.94741 0.49780 -0.27269 180 3PY 0.07624 -0.04278 -0.50163 -0.07318 -0.00132 181 3PZ -0.39601 -0.27842 0.85933 0.18069 -0.65041 182 4XX 0.11642 -0.05536 -0.01961 0.19809 -0.23034 183 4YY -0.11168 0.05169 -0.03184 0.00871 -0.05917 184 4ZZ 0.09472 -0.18548 0.12834 -0.06373 0.07425 185 4XY -0.06692 0.08986 0.06598 0.06229 0.20152 186 4XZ -0.02389 -0.00076 0.10043 -0.04653 -0.06393 187 4YZ -0.07720 0.01160 0.05882 -0.12323 -0.19172 188 23 H 1S -0.23101 0.05445 -0.00004 0.04470 0.00002 189 2S -0.48246 0.12573 -0.00010 -0.00428 0.00003 121 122 123 124 125 V V V V V Eigenvalues -- 1.43217 1.43861 1.47573 1.49205 1.52644 1 1 C 1S -0.00002 0.03415 0.00420 0.00386 0.00339 2 2S -0.06280 0.63066 -0.15341 0.09950 -0.13746 3 2PX 0.05039 0.00837 -0.08893 0.03793 -0.19638 4 2PY -0.06094 0.00136 -0.08897 0.00140 -0.07034 5 2PZ -0.08100 0.14279 -0.10384 0.05477 -0.03981 6 3S -0.34703 -4.15930 -0.46607 -1.29877 -0.48108 7 3PX 0.08237 -1.46003 0.15026 -0.99554 0.17981 8 3PY 0.49815 -2.49192 0.53942 0.16337 0.59505 9 3PZ 0.27561 -2.11038 0.14302 -1.13943 0.31864 10 4XX -0.21141 0.12319 0.07420 -0.14257 0.17057 11 4YY 0.00846 -0.00994 0.00936 0.01634 -0.07034 12 4ZZ 0.16899 -0.11266 -0.07814 0.12412 -0.07495 13 4XY -0.03946 0.01259 -0.09514 -0.01621 0.42476 14 4XZ 0.00113 0.00791 -0.00434 -0.04654 0.09821 15 4YZ -0.03374 -0.02771 0.17962 -0.03400 -0.26611 16 2 C 1S -0.00001 -0.03416 0.00418 -0.00385 0.00338 17 2S -0.06271 -0.63059 -0.15389 -0.09960 -0.13764 18 2PX 0.05038 -0.00824 -0.08890 -0.03804 -0.19639 19 2PY 0.06092 0.00132 0.08897 0.00150 0.07037 20 2PZ -0.08099 -0.14278 -0.10394 -0.05488 -0.03982 21 3S -0.34772 4.15947 -0.46366 1.29802 -0.48018 22 3PX 0.08208 1.45974 0.15063 0.99567 0.17997 23 3PY -0.49753 -2.49213 -0.54187 0.16252 -0.59581 24 3PZ 0.27516 2.10998 0.14382 1.13954 0.31890 25 4XX -0.21138 -0.12342 0.07395 0.14266 0.17047 26 4YY 0.00844 0.00995 0.00942 -0.01634 -0.07035 27 4ZZ 0.16897 0.11285 -0.07795 -0.12419 -0.07484 28 4XY 0.03948 0.01264 0.09517 -0.01623 -0.42478 29 4XZ 0.00115 -0.00795 -0.00441 0.04651 0.09815 30 4YZ 0.03373 -0.02761 -0.17959 -0.03412 0.26609 31 3 C 1S -0.00100 0.00079 -0.03065 0.03112 -0.00606 32 2S 0.01666 0.20874 -0.35391 0.64114 0.04295 33 2PX 0.05025 0.19420 -0.06777 0.11832 -0.00941 34 2PY -0.07919 -0.06678 -0.03659 -0.04197 -0.03942 35 2PZ -0.00587 0.09645 0.03731 -0.03268 0.02639 36 3S -0.02367 -2.13553 1.31333 -2.40570 -0.17909 37 3PX -0.27400 -0.16791 -0.12661 0.12796 -0.23800 38 3PY 0.49510 1.88312 0.33280 0.76083 0.54550 39 3PZ -0.38747 -0.68769 0.03763 0.54790 -0.83984 40 4XX 0.14757 0.03039 -0.03512 -0.20763 0.05013 41 4YY -0.04498 -0.07769 0.03724 0.07436 0.00714 42 4ZZ -0.11624 0.00315 -0.03377 0.14442 -0.06455 43 4XY -0.01041 0.03750 -0.25405 -0.00266 -0.01540 44 4XZ 0.10680 0.01952 0.18623 -0.00467 0.01454 45 4YZ -0.10271 -0.14851 0.08545 0.09068 0.06501 46 4 C 1S -0.00877 -0.01117 0.02549 0.00802 -0.01519 47 2S -0.07611 -0.10823 0.31979 0.14601 -0.17858 48 2PX -0.11636 -0.14126 -0.01994 -0.00559 -0.05064 49 2PY -0.01549 -0.00982 -0.01887 -0.03494 0.04833 50 2PZ -0.02710 -0.05491 0.00829 -0.10765 -0.09709 51 3S 0.60539 1.65753 -0.92407 0.13088 0.98825 52 3PX 0.27256 0.75777 0.16051 0.29119 0.03803 53 3PY 0.14033 -0.05538 -0.25708 -0.06422 0.19504 54 3PZ -0.15526 -0.72991 0.07778 -0.12526 -0.26390 55 4XX -0.08169 -0.09635 -0.15996 -0.01260 0.03922 56 4YY -0.02742 -0.00418 0.03117 0.01742 0.05395 57 4ZZ 0.09950 0.10362 0.15506 0.01162 -0.09878 58 4XY 0.16092 0.02403 0.28780 -0.04538 0.05601 59 4XZ -0.09810 -0.01815 -0.20227 0.06211 -0.13140 60 4YZ -0.04302 -0.00984 -0.06537 -0.02547 -0.19135 61 5 C 1S -0.00876 0.01116 0.02550 -0.00799 -0.01518 62 2S -0.07607 0.10821 0.31998 -0.14557 -0.17852 63 2PX -0.11634 0.14124 -0.01977 0.00560 -0.05060 64 2PY 0.01552 -0.00975 0.01889 -0.03490 -0.04831 65 2PZ -0.02713 0.05484 0.00821 0.10760 -0.09713 66 3S 0.60562 -1.65708 -0.92514 -0.13196 0.98791 67 3PX 0.27254 -0.75766 0.15979 -0.29105 0.03767 68 3PY -0.14045 -0.05580 0.25712 -0.06406 -0.19508 69 3PZ -0.15536 0.73002 0.07845 0.12543 -0.26376 70 4XX -0.08173 0.09642 -0.15994 0.01247 0.03921 71 4YY -0.02741 0.00413 0.03119 -0.01736 0.05390 72 4ZZ 0.09955 -0.10364 0.15502 -0.01151 -0.09873 73 4XY -0.16090 0.02414 -0.28768 -0.04563 -0.05598 74 4XZ -0.09807 0.01823 -0.20218 -0.06232 -0.13138 75 4YZ 0.04300 -0.00984 0.06537 -0.02533 0.19138 76 6 C 1S -0.00100 -0.00077 -0.03062 -0.03115 -0.00604 77 2S 0.01670 -0.20840 -0.35347 -0.64145 0.04308 78 2PX 0.05035 -0.19405 -0.06786 -0.11836 -0.00943 79 2PY 0.07919 -0.06671 0.03657 -0.04193 0.03940 80 2PZ -0.00580 -0.09652 0.03723 0.03270 0.02637 81 3S -0.02392 2.13463 1.31289 2.40708 -0.17920 82 3PX -0.27418 0.16800 -0.12618 -0.12814 -0.23801 83 3PY -0.49536 1.88332 -0.33191 0.76081 -0.54498 84 3PZ -0.38786 0.68798 0.03857 -0.54781 -0.83968 85 4XX 0.14757 -0.03030 -0.03530 0.20760 0.05014 86 4YY -0.04503 0.07766 0.03739 -0.07438 0.00720 87 4ZZ -0.11620 -0.00320 -0.03367 -0.14440 -0.06459 88 4XY 0.01035 0.03736 0.25408 -0.00249 0.01543 89 4XZ 0.10679 -0.01958 0.18620 0.00482 0.01454 90 4YZ 0.10276 -0.14833 -0.08569 0.09061 -0.06504 91 7 H 1S 0.17053 -0.44194 0.09241 -0.12982 0.09589 92 2S 0.18645 -0.85124 0.23705 -0.35058 0.29634 93 8 H 1S 0.17042 0.44197 0.09271 0.12991 0.09598 94 2S 0.18625 0.85114 0.23755 0.35085 0.29651 95 9 H 1S -0.06435 -0.24997 -0.19634 0.00843 -0.13861 96 2S -0.21996 -0.43100 -0.27345 -0.00692 -0.19645 97 10 H 1S -0.01754 -0.18232 0.06177 0.03245 -0.07644 98 2S -0.28420 -0.32819 0.15915 -0.17312 -0.09905 99 11 H 1S -0.01753 0.18229 0.06197 -0.03239 -0.07636 100 2S -0.28428 0.32797 0.15935 0.17334 -0.09897 101 12 H 1S -0.06444 0.25021 -0.19613 -0.00856 -0.13853 102 2S -0.22002 0.43122 -0.27307 0.00671 -0.19630 103 13 H 1S -0.01869 -0.13106 0.14760 -0.17139 -0.01190 104 2S 0.07824 -0.20130 0.12147 -0.03237 -0.03463 105 14 H 1S -0.01873 0.13101 0.14763 0.17158 -0.01186 106 2S 0.07829 0.20122 0.12175 0.03245 -0.03453 107 15 C 1S -0.00386 0.01657 0.00715 0.02110 -0.00049 108 2S 0.00348 -0.08820 0.13997 0.09055 0.17190 109 2PX 0.01533 0.10453 -0.06905 0.00594 -0.07961 110 2PY -0.03601 0.01762 0.00616 -0.03434 -0.05611 111 2PZ 0.01483 -0.08307 0.02806 0.02014 0.02911 112 3S -0.10993 -0.18989 -0.34417 0.74612 -0.30705 113 3PX -0.06435 -0.02090 0.08168 0.98343 0.21216 114 3PY 0.12156 -0.27868 0.09926 0.90134 0.22847 115 3PZ -0.07404 0.57238 -0.02708 0.70290 0.03675 116 4XX 0.21492 0.10709 -0.09940 0.02313 -0.07296 117 4YY -0.00072 0.00397 0.03978 0.00395 0.03295 118 4ZZ -0.22838 -0.06485 0.04311 0.06367 0.00138 119 4XY -0.14689 0.01608 0.06075 -0.00412 -0.02552 120 4XZ -0.02645 -0.04688 0.02044 -0.01963 0.01796 121 4YZ 0.19396 0.04320 -0.07850 0.04864 0.01800 122 16 C 1S -0.00384 -0.01659 0.00716 -0.02111 -0.00048 123 2S 0.00373 0.08786 0.14024 -0.09055 0.17204 124 2PX 0.01535 -0.10443 -0.06912 -0.00599 -0.07965 125 2PY 0.03604 0.01767 -0.00614 -0.03428 0.05613 126 2PZ 0.01481 0.08302 0.02818 -0.02017 0.02915 127 3S -0.11117 0.19045 -0.34416 -0.74618 -0.30716 128 3PX -0.06463 0.02089 0.08231 -0.98324 0.21245 129 3PY -0.12122 -0.27869 -0.09969 0.90123 -0.22866 130 3PZ -0.07368 -0.57222 -0.02714 -0.70255 0.03679 131 4XX 0.21500 -0.10688 -0.09940 -0.02332 -0.07296 132 4YY -0.00065 -0.00405 0.03975 -0.00394 0.03296 133 4ZZ -0.22852 0.06471 0.04319 -0.06353 0.00139 134 4XY 0.14689 0.01632 -0.06073 -0.00404 0.02552 135 4XZ -0.02643 0.04680 0.02048 0.01964 0.01798 136 4YZ -0.19401 0.04300 0.07846 0.04866 -0.01801 137 17 C 1S 0.00077 0.00001 -0.00742 0.00000 -0.00680 138 2S 0.01675 0.00009 -0.12544 -0.00006 -0.07173 139 2PX -0.00494 -0.00001 0.01564 -0.00002 -0.06206 140 2PY -0.00001 0.03451 0.00010 -0.22517 0.00003 141 2PZ 0.03080 0.00002 -0.04163 -0.00005 -0.01866 142 3S 0.03708 -0.00026 0.46522 0.00031 0.66418 143 3PX 0.12314 0.00016 -0.11270 0.00001 0.01760 144 3PY -0.00008 0.28116 0.00033 -0.72593 0.00011 145 3PZ -0.34158 -0.00017 0.18396 -0.00003 -0.18281 146 4XX -0.09705 -0.00004 0.02623 0.00001 -0.03329 147 4YY 0.02013 0.00005 0.02673 0.00002 0.04152 148 4ZZ 0.08016 0.00000 -0.04823 -0.00001 -0.00096 149 4XY -0.00020 0.21280 0.00002 0.06656 0.00000 150 4XZ 0.03041 0.00002 -0.04434 -0.00002 0.03231 151 4YZ 0.00021 -0.27192 -0.00008 0.09107 -0.00002 152 18 H 1S -0.01365 -0.10326 0.05910 -0.24362 0.04607 153 2S 0.03320 -0.14327 0.06985 -0.37986 0.11080 154 19 H 1S 0.01705 0.00005 -0.03680 0.00000 -0.03030 155 2S 0.19119 0.00015 -0.23545 -0.00011 -0.00632 156 20 H 1S -0.01378 0.10323 0.05899 0.24368 0.04601 157 2S 0.03301 0.14331 0.06980 0.38006 0.11072 158 21 O 1S -0.00038 -0.00264 -0.00128 0.05076 0.01115 159 2S -0.04536 -0.00101 0.00719 0.82349 0.14861 160 2PX 0.08886 -0.12760 0.00096 0.02277 0.03657 161 2PY 0.02569 -0.04647 0.00146 0.19775 0.05593 162 2PZ -0.02740 -0.02987 0.04194 0.07305 -0.00279 163 3S 0.09407 -0.03011 -0.00477 -2.36724 -0.47531 164 3PX -0.27555 0.39462 -0.05273 -0.04320 -0.15509 165 3PY -0.09965 0.14650 -0.02800 -0.79113 -0.27364 166 3PZ 0.13960 0.07910 -0.17930 -0.16020 -0.03672 167 4XX -0.22322 -0.16312 0.08897 0.13931 0.05502 168 4YY 0.02326 -0.01342 -0.04509 0.39740 0.04826 169 4ZZ 0.15848 0.16972 -0.04351 0.10224 0.01048 170 4XY 0.08483 -0.11719 -0.01307 -0.03637 0.01813 171 4XZ 0.08437 0.00748 -0.03149 0.15585 0.03346 172 4YZ -0.12888 0.05756 0.06722 0.03020 0.01965 173 22 O 1S -0.00039 0.00265 -0.00125 -0.05075 0.01116 174 2S -0.04553 0.00104 0.00782 -0.82336 0.14880 175 2PX 0.08874 0.12767 0.00102 -0.02272 0.03658 176 2PY -0.02562 -0.04649 -0.00164 0.19774 -0.05597 177 2PZ -0.02732 0.02979 0.04204 -0.07299 -0.00277 178 3S 0.09464 0.02987 -0.00643 2.36675 -0.47585 179 3PX -0.27528 -0.39469 -0.05297 0.04310 -0.15514 180 3PY 0.09944 0.14660 0.02868 -0.79097 0.27385 181 3PZ 0.13937 -0.07876 -0.17950 0.15998 -0.03674 182 4XX -0.22350 0.16294 0.08913 -0.13915 0.05506 183 4YY 0.02316 0.01343 -0.04476 -0.39744 0.04837 184 4ZZ 0.15872 -0.16951 -0.04352 -0.10224 0.01048 185 4XY -0.08460 -0.11728 0.01306 -0.03636 -0.01813 186 4XZ 0.08437 -0.00743 -0.03135 -0.15588 0.03349 187 4YZ 0.12868 0.05770 -0.06722 0.03004 -0.01965 188 23 H 1S -0.02912 0.00000 -0.03789 -0.00004 -0.03846 189 2S -0.02222 -0.00002 -0.00259 -0.00005 -0.13428 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63997 1.66107 1.72040 1.72342 1 1 C 1S 0.00886 -0.01619 -0.01321 0.00191 0.00712 2 2S 0.08455 -0.44101 -0.29814 0.04335 0.01819 3 2PX -0.01944 -0.14528 -0.08142 0.00707 -0.00726 4 2PY -0.03680 -0.02994 0.00638 0.10127 0.02866 5 2PZ -0.01441 -0.03084 -0.01759 -0.01933 -0.04802 6 3S -0.58734 1.82090 1.23533 0.06435 -0.30209 7 3PX -0.22943 1.08931 0.48764 -0.07076 -0.19594 8 3PY 0.24848 0.85097 0.67272 -0.29231 -0.08243 9 3PZ -0.11387 1.25583 0.61132 -0.09030 -0.08230 10 4XX -0.04489 0.24385 0.08666 -0.01985 -0.17736 11 4YY 0.03281 -0.01246 0.00083 -0.09001 0.00098 12 4ZZ 0.04304 -0.20695 -0.08535 0.12280 0.20088 13 4XY 0.07930 0.01584 -0.01731 -0.12221 -0.03019 14 4XZ 0.03928 -0.06670 -0.03825 -0.04758 -0.02488 15 4YZ 0.04063 0.09571 0.05282 0.01504 0.00566 16 2 C 1S 0.00886 0.01619 0.01321 0.00191 0.00711 17 2S 0.08463 0.44098 0.29811 0.04333 0.01816 18 2PX -0.01938 0.14529 0.08141 0.00706 -0.00720 19 2PY 0.03678 -0.02996 0.00638 -0.10128 -0.02864 20 2PZ -0.01442 0.03085 0.01758 -0.01935 -0.04799 21 3S -0.58727 -1.82056 -1.23529 0.06461 -0.30164 22 3PX -0.22969 -1.08906 -0.48750 -0.07067 -0.19574 23 3PY -0.24856 0.85129 0.67278 0.29231 0.08244 24 3PZ -0.11409 -1.25552 -0.61111 -0.09015 -0.08211 25 4XX -0.04502 -0.24379 -0.08663 -0.01984 -0.17741 26 4YY 0.03284 0.01240 -0.00087 -0.09002 0.00100 27 4ZZ 0.04313 0.20694 0.08536 0.12280 0.20095 28 4XY -0.07928 0.01587 -0.01732 0.12222 0.03018 29 4XZ 0.03930 0.06673 0.03826 -0.04754 -0.02494 30 4YZ -0.04060 0.09575 0.05283 -0.01508 -0.00566 31 3 C 1S -0.06585 0.00882 0.02093 -0.00387 -0.00646 32 2S -0.86140 0.21254 0.24360 0.00380 -0.14042 33 2PX -0.12197 0.04607 0.02973 0.01768 0.00268 34 2PY -0.03391 -0.05603 -0.01752 -0.01670 0.04948 35 2PZ 0.06051 -0.11498 -0.03250 0.08978 -0.03350 36 3S 2.89451 0.70128 -0.02454 0.21963 0.44314 37 3PX 0.56267 -0.18089 -0.19380 0.07411 0.04736 38 3PY 0.24705 -0.40064 -0.29727 -0.31943 -0.55550 39 3PZ 0.09246 0.11824 0.17454 0.12159 -0.12046 40 4XX 0.01472 0.21299 0.09825 0.05791 0.09064 41 4YY -0.05881 -0.01234 0.03546 -0.02511 -0.08375 42 4ZZ -0.01480 -0.20032 -0.09851 -0.01130 0.00700 43 4XY 0.13110 0.18214 0.08504 0.04385 0.01989 44 4XZ -0.08619 0.04657 -0.01101 -0.09314 -0.04478 45 4YZ -0.10417 -0.21144 -0.09648 0.16222 -0.01454 46 4 C 1S 0.02591 0.00199 0.01454 0.01473 0.00451 47 2S 0.33606 0.04664 0.26384 0.19261 0.08073 48 2PX 0.02968 0.06841 0.04873 0.04070 -0.00053 49 2PY 0.00504 -0.00556 0.01057 0.06961 -0.05024 50 2PZ 0.05334 -0.03429 -0.02605 -0.06465 -0.05620 51 3S -1.44886 -0.35115 -0.95065 -0.58015 -0.13346 52 3PX 0.02087 -0.41007 -0.21833 -0.11524 0.01597 53 3PY -0.48940 0.20986 0.30377 -0.12693 0.17481 54 3PZ 0.32259 0.20120 0.00195 0.25151 0.19273 55 4XX -0.03711 0.00065 -0.00065 -0.04658 0.08737 56 4YY 0.01475 -0.02182 -0.01099 0.20203 0.04823 57 4ZZ 0.03342 0.01301 0.01303 -0.13483 -0.14493 58 4XY -0.00082 0.05654 0.00551 0.04703 -0.05514 59 4XZ 0.12912 0.07508 0.04121 -0.07550 -0.04380 60 4YZ 0.21132 0.06635 0.06020 0.10455 -0.20627 61 5 C 1S 0.02591 -0.00200 -0.01454 0.01477 0.00441 62 2S 0.33607 -0.04679 -0.26381 0.19306 0.07953 63 2PX 0.02966 -0.06842 -0.04872 0.04069 -0.00055 64 2PY -0.00505 -0.00559 0.01058 -0.06962 0.05029 65 2PZ 0.05334 0.03426 0.02602 -0.06468 -0.05608 66 3S -1.44906 0.35194 0.95074 -0.58193 -0.12925 67 3PX 0.02118 0.41000 0.21831 -0.11513 0.01600 68 3PY 0.48937 0.20970 0.30372 0.12660 -0.17408 69 3PZ 0.32274 -0.20141 -0.00193 0.25179 0.19218 70 4XX -0.03707 -0.00066 0.00063 -0.04658 0.08734 71 4YY 0.01482 0.02179 0.01097 0.20205 0.04820 72 4ZZ 0.03331 -0.01298 -0.01300 -0.13484 -0.14491 73 4XY 0.00084 0.05655 0.00550 -0.04701 0.05513 74 4XZ 0.12909 -0.07513 -0.04122 -0.07550 -0.04390 75 4YZ -0.21132 0.06641 0.06025 -0.10452 0.20643 76 6 C 1S -0.06585 -0.00878 -0.02092 -0.00389 -0.00645 77 2S -0.86152 -0.21210 -0.24351 0.00367 -0.14037 78 2PX -0.12200 -0.04602 -0.02972 0.01769 0.00264 79 2PY 0.03386 -0.05603 -0.01751 0.01669 -0.04954 80 2PZ 0.06054 0.11498 0.03250 0.08982 -0.03362 81 3S 2.89454 -0.70281 0.02426 0.22045 0.44229 82 3PX 0.56273 0.18060 0.19369 0.07419 0.04701 83 3PY -0.24683 -0.40087 -0.29741 0.31961 0.55555 84 3PZ 0.09254 -0.11841 -0.17461 0.12182 -0.12084 85 4XX 0.01461 -0.21294 -0.09824 0.05791 0.09055 86 4YY -0.05881 0.01240 -0.03545 -0.02504 -0.08376 87 4ZZ -0.01467 0.20024 0.09847 -0.01136 0.00702 88 4XY -0.13103 0.18222 0.08505 -0.04382 -0.01998 89 4XZ -0.08626 -0.04655 0.01103 -0.09319 -0.04464 90 4YZ 0.10405 -0.21150 -0.09649 -0.16220 0.01445 91 7 H 1S -0.02214 0.27153 0.14177 -0.03456 -0.03725 92 2S 0.01985 0.52883 0.24196 -0.09451 -0.03970 93 8 H 1S -0.02219 -0.27149 -0.14174 -0.03457 -0.03721 94 2S 0.01976 -0.52878 -0.24190 -0.09450 -0.03966 95 9 H 1S -0.40067 -0.01182 0.04630 0.09662 0.09016 96 2S -0.42938 0.12525 0.12473 0.09157 0.24600 97 10 H 1S 0.10231 0.11423 0.05523 0.01431 0.05441 98 2S 0.14266 0.01877 0.21793 0.17093 -0.08440 99 11 H 1S 0.10229 -0.11431 -0.05523 0.01443 0.05408 100 2S 0.14258 -0.01877 -0.21791 0.17102 -0.08463 101 12 H 1S -0.40060 0.01198 -0.04629 0.09657 0.09025 102 2S -0.42934 -0.12521 -0.12478 0.09157 0.24611 103 13 H 1S 0.13091 0.04077 -0.04372 0.01012 0.03355 104 2S 0.13306 0.18484 0.02272 -0.03847 -0.05534 105 14 H 1S 0.13088 -0.04086 0.04373 0.01000 0.03387 106 2S 0.13301 -0.18489 -0.02274 -0.03857 -0.05513 107 15 C 1S 0.04041 0.01145 0.02966 0.00049 0.02804 108 2S 0.60451 0.17737 0.43731 -0.06652 0.23558 109 2PX -0.05271 -0.02980 -0.15248 0.04967 -0.06290 110 2PY -0.06554 0.02328 -0.05153 -0.06867 -0.02146 111 2PZ 0.00406 -0.03324 0.03689 -0.00714 0.05308 112 3S -1.95227 -0.15861 -1.51220 0.27842 -1.27475 113 3PX -0.01988 0.73193 0.44945 0.16484 -0.11226 114 3PY 0.80102 -0.35761 0.20329 0.05455 0.70031 115 3PZ -0.31276 0.42070 0.50471 0.12515 0.00235 116 4XX -0.13151 -0.09444 0.25040 0.00433 0.10740 117 4YY 0.01153 0.00610 0.00867 0.02773 -0.02796 118 4ZZ 0.14565 0.11823 -0.23955 -0.03053 -0.02974 119 4XY -0.13909 -0.06861 0.04763 0.04737 0.33865 120 4XZ -0.05068 0.04524 -0.06135 0.05654 -0.19735 121 4YZ 0.14713 0.01642 0.15478 0.03905 -0.13484 122 16 C 1S 0.04041 -0.01148 -0.02967 0.00049 0.02806 123 2S 0.60436 -0.17766 -0.43751 -0.06659 0.23571 124 2PX -0.05264 0.02983 0.15247 0.04969 -0.06289 125 2PY 0.06557 0.02328 -0.05148 0.06865 0.02157 126 2PZ 0.00408 0.03322 -0.03689 -0.00711 0.05301 127 3S -1.95164 0.15963 1.51251 0.27859 -1.27543 128 3PX -0.02014 -0.73192 -0.44929 0.16474 -0.11224 129 3PY -0.80135 -0.35715 0.20326 -0.05440 -0.70058 130 3PZ -0.31296 -0.42063 -0.50451 0.12494 0.00280 131 4XX -0.13145 0.09444 -0.25040 0.00433 0.10743 132 4YY 0.01158 -0.00609 -0.00873 0.02773 -0.02806 133 4ZZ 0.14554 -0.11826 0.23959 -0.03053 -0.02962 134 4XY 0.13906 -0.06856 0.04766 -0.04736 -0.33870 135 4XZ -0.05067 -0.04518 0.06136 0.05655 -0.19750 136 4YZ -0.14711 0.01641 0.15482 -0.03903 0.13480 137 17 C 1S -0.04134 0.00001 0.00001 -0.05877 -0.02095 138 2S -0.49560 0.00008 0.00008 -0.84813 -0.19230 139 2PX 0.01187 0.00000 0.00000 -0.02828 -0.06418 140 2PY 0.00002 -0.01587 -0.08177 0.00000 0.00004 141 2PZ -0.09204 0.00003 -0.00002 -0.07639 -0.13573 142 3S 2.24399 -0.00044 -0.00024 3.65186 1.54462 143 3PX -0.26804 0.00008 0.00004 -0.60592 -0.19841 144 3PY 0.00003 0.03208 -0.23344 0.00005 0.00008 145 3PZ -0.11172 -0.00004 0.00005 -0.75958 0.12264 146 4XX 0.02134 0.00000 -0.00001 -0.00338 -0.11161 147 4YY 0.05039 -0.00001 0.00000 0.14486 0.22894 148 4ZZ -0.03714 0.00001 0.00001 -0.11957 -0.09287 149 4XY -0.00002 0.03198 -0.10536 -0.00001 0.00000 150 4XZ -0.01880 0.00003 -0.00003 0.19454 -0.22970 151 4YZ 0.00003 -0.04287 0.13026 0.00003 0.00002 152 18 H 1S 0.16783 -0.00415 -0.34671 -0.04158 0.33571 153 2S 0.33047 -0.10324 -0.44341 0.02794 0.31074 154 19 H 1S -0.18739 0.00005 0.00002 -0.12930 -0.17540 155 2S -0.33595 0.00009 0.00000 -0.33625 -0.26827 156 20 H 1S 0.16787 0.00401 0.34678 -0.04151 0.33554 157 2S 0.33050 0.10308 0.44347 0.02811 0.31035 158 21 O 1S -0.00353 0.02179 -0.00012 0.05702 -0.00432 159 2S -0.06690 0.45293 -0.05885 0.82040 -0.00112 160 2PX 0.13682 -0.07079 0.01637 0.03148 0.04587 161 2PY 0.08837 0.05014 -0.02748 0.08051 0.15032 162 2PZ 0.12580 -0.05583 0.10630 -0.02316 0.07645 163 3S 0.23633 -1.24097 0.04351 -2.74989 0.12788 164 3PX -0.73388 0.36036 -0.25269 -0.20498 -0.55113 165 3PY -0.42547 -0.15267 -0.05208 -0.90311 -0.47107 166 3PZ -0.60160 0.22940 -0.24474 -0.13073 -0.58267 167 4XX 0.00878 0.20403 -0.27246 0.14556 0.00097 168 4YY -0.08092 0.11480 0.10935 0.38147 -0.10729 169 4ZZ 0.02455 -0.01777 0.14051 0.03778 0.11345 170 4XY -0.01818 -0.13355 0.15299 -0.03959 0.14821 171 4XZ -0.05813 0.11004 0.01016 0.24344 -0.08466 172 4YZ 0.08771 0.15811 -0.29311 0.07085 0.05502 173 22 O 1S -0.00353 -0.02178 0.00012 0.05702 -0.00432 174 2S -0.06688 -0.45286 0.05884 0.82046 -0.00122 175 2PX 0.13680 0.07075 -0.01637 0.03147 0.04590 176 2PY -0.08840 0.05018 -0.02747 -0.08053 -0.15027 177 2PZ 0.12582 0.05577 -0.10630 -0.02318 0.07644 178 3S 0.23633 1.24070 -0.04357 -2.74996 0.12799 179 3PX -0.73387 -0.36005 0.25279 -0.20492 -0.55127 180 3PY 0.42565 -0.15279 -0.05212 0.90315 0.47114 181 3PZ -0.60160 -0.22909 0.24480 -0.13053 -0.58277 182 4XX 0.00874 -0.20406 0.27249 0.14561 0.00087 183 4YY -0.08089 -0.11478 -0.10931 0.38149 -0.10719 184 4ZZ 0.02458 0.01782 -0.14056 0.03775 0.11341 185 4XY 0.01817 -0.13351 0.15294 0.03959 -0.14820 186 4XZ -0.05813 -0.10999 -0.01015 0.24348 -0.08484 187 4YZ -0.08771 0.15812 -0.29311 -0.07083 -0.05497 188 23 H 1S -0.23764 0.00004 0.00002 -0.28657 -0.09341 189 2S -0.17554 0.00002 0.00003 -0.31723 -0.09765 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77090 1.79420 1.86000 1.87774 1 1 C 1S 0.01125 0.00161 0.00062 0.01333 0.01746 2 2S 0.12872 -0.04615 0.03931 -0.04278 0.13346 3 2PX -0.01428 0.02877 0.06884 -0.03670 0.04023 4 2PY 0.00460 -0.10438 -0.07967 -0.10487 0.01519 5 2PZ -0.01996 0.05754 0.12899 -0.06131 0.05689 6 3S -0.66545 0.03739 0.15213 -1.12862 -0.50124 7 3PX -0.42310 -0.01475 0.38249 -0.36587 -0.20910 8 3PY -0.19058 0.12033 0.49063 -0.44225 0.04681 9 3PZ -0.38734 -0.05083 0.43217 -0.50670 -0.14960 10 4XX -0.00198 -0.02474 0.17808 -0.03264 0.00852 11 4YY -0.01889 0.17847 -0.02447 -0.12606 0.01564 12 4ZZ -0.02463 -0.15707 -0.15876 0.13248 0.04023 13 4XY -0.03991 0.08704 0.00666 0.05167 0.00713 14 4XZ 0.11777 -0.10978 -0.22737 0.01494 -0.28966 15 4YZ 0.01838 0.01910 -0.20109 -0.00365 -0.00624 16 2 C 1S -0.01126 0.00161 0.00062 -0.01332 0.01745 17 2S -0.12879 -0.04611 0.03929 0.04281 0.13354 18 2PX 0.01429 0.02878 0.06883 0.03667 0.04028 19 2PY 0.00464 0.10439 0.07961 -0.10492 -0.01532 20 2PZ 0.02000 0.05756 0.12899 0.06129 0.05692 21 3S 0.66565 0.03708 0.15235 1.12834 -0.50052 22 3PX 0.42333 -0.01490 0.38258 0.36572 -0.20883 23 3PY -0.19092 -0.12007 -0.49080 -0.44228 -0.04703 24 3PZ 0.38751 -0.05106 0.43223 0.50646 -0.14899 25 4XX 0.00213 -0.02476 0.17809 0.03266 0.00842 26 4YY 0.01887 0.17847 -0.02451 0.12606 0.01570 27 4ZZ 0.02449 -0.15706 -0.15873 -0.13249 0.04028 28 4XY -0.03989 -0.08701 -0.00663 0.05168 -0.00697 29 4XZ -0.11784 -0.10979 -0.22735 -0.01494 -0.28977 30 4YZ 0.01840 -0.01903 0.20114 -0.00359 0.00629 31 3 C 1S -0.02083 0.00895 0.01305 0.01184 -0.00025 32 2S -0.21961 -0.15014 0.42511 -0.02969 -0.08232 33 2PX 0.01549 -0.10631 0.05172 -0.04976 -0.09418 34 2PY -0.08125 0.01628 -0.17802 0.05542 -0.03138 35 2PZ 0.16327 -0.16028 0.07970 -0.02018 -0.01118 36 3S 1.44193 0.16630 -1.04186 -0.80879 0.31363 37 3PX 0.50950 0.19350 0.05072 0.53074 0.05475 38 3PY -0.00130 -0.12670 1.24020 0.64346 -0.40295 39 3PZ 0.64768 0.22914 -0.24863 -0.03748 -0.19191 40 4XX 0.03777 0.00102 0.03388 -0.00846 0.15817 41 4YY -0.00260 -0.04565 -0.07297 0.12203 -0.12115 42 4ZZ 0.01904 0.08847 0.02367 -0.11663 0.04448 43 4XY -0.13130 -0.12428 -0.15873 -0.36432 -0.14603 44 4XZ -0.14268 0.03969 -0.01942 0.33695 -0.15175 45 4YZ -0.03590 -0.24423 0.06008 -0.09701 0.01480 46 4 C 1S 0.12518 -0.00035 -0.00847 -0.00079 -0.00962 47 2S 1.56357 0.14135 -0.14174 -0.27151 -0.08529 48 2PX 0.02237 0.05754 0.02214 0.12188 0.03189 49 2PY 0.06208 -0.22720 0.09250 0.00459 -0.05443 50 2PZ -0.12562 0.09406 0.00637 0.05129 0.02298 51 3S -5.60412 -0.22416 0.61819 0.87317 0.29344 52 3PX -0.03110 -0.14685 -0.25644 -1.41167 -0.02959 53 3PY 0.91687 0.24918 -0.20171 -0.29279 0.22971 54 3PZ 0.81664 0.02749 -0.31813 -0.05453 0.08135 55 4XX 0.02069 0.10456 -0.10923 -0.23049 0.11869 56 4YY -0.02762 -0.30987 -0.03445 -0.03633 -0.07182 57 4ZZ 0.05505 0.19226 0.16324 0.28338 -0.03566 58 4XY -0.00579 -0.11452 0.01425 0.26253 0.02196 59 4XZ 0.08583 0.09076 0.10696 0.01443 -0.06920 60 4YZ 0.13254 -0.16761 0.36408 0.03471 -0.02334 61 5 C 1S -0.12518 -0.00036 -0.00845 0.00079 -0.00966 62 2S -1.56366 0.14130 -0.14150 0.27158 -0.08568 63 2PX -0.02237 0.05756 0.02211 -0.12189 0.03184 64 2PY 0.06197 0.22719 -0.09253 0.00465 0.05439 65 2PZ 0.12565 0.09410 0.00636 -0.05128 0.02299 66 3S 5.60440 -0.22394 0.61718 -0.87337 0.29466 67 3PX 0.03103 -0.14688 -0.25620 1.41170 -0.02921 68 3PY 0.91718 -0.24919 0.20164 -0.29298 -0.22940 69 3PZ -0.81667 0.02739 -0.31800 0.05457 0.08120 70 4XX -0.02081 0.10456 -0.10918 0.23061 0.11870 71 4YY 0.02762 -0.30993 -0.03437 0.03627 -0.07179 72 4ZZ -0.05491 0.19232 0.16311 -0.28343 -0.03569 73 4XY -0.00580 0.11446 -0.01421 0.26255 -0.02204 74 4XZ -0.08582 0.09077 0.10701 -0.01450 -0.06934 75 4YZ 0.13231 0.16752 -0.36418 0.03488 0.02324 76 6 C 1S 0.02083 0.00895 0.01304 -0.01185 -0.00027 77 2S 0.21974 -0.15012 0.42500 0.02952 -0.08245 78 2PX -0.01553 -0.10630 0.05173 0.04975 -0.09416 79 2PY -0.08113 -0.01624 0.17799 0.05537 0.03124 80 2PZ -0.16319 -0.16026 0.07975 0.02019 -0.01123 81 3S -1.44233 0.16607 -1.04126 0.80928 0.31413 82 3PX -0.50951 0.19348 0.05061 -0.53072 0.05447 83 3PY -0.00186 0.12653 -1.23998 0.64399 0.40364 84 3PZ -0.64779 0.22906 -0.24873 0.03761 -0.19186 85 4XX -0.03780 0.00104 0.03389 0.00843 0.15815 86 4YY 0.00267 -0.04576 -0.07295 -0.12201 -0.12091 87 4ZZ -0.01906 0.08855 0.02365 0.11667 0.04426 88 4XY -0.13125 0.12431 0.15865 -0.36428 0.14598 89 4XZ 0.14265 0.03976 -0.01949 -0.33702 -0.15176 90 4YZ -0.03598 0.24421 -0.06006 -0.09704 -0.01498 91 7 H 1S -0.12127 0.05674 0.39234 -0.13906 0.12572 92 2S -0.17745 0.00015 0.22480 -0.18606 -0.04259 93 8 H 1S 0.12140 0.05668 0.39238 0.13905 0.12593 94 2S 0.17756 0.00005 0.22485 0.18600 -0.04243 95 9 H 1S -0.13477 0.06204 -0.09435 -0.13462 0.14730 96 2S -0.17841 -0.00721 -0.38265 -0.15260 0.13316 97 10 H 1S 0.43467 0.00265 -0.03719 0.28157 -0.05706 98 2S 0.33040 0.06385 0.15427 0.34557 -0.13406 99 11 H 1S -0.43469 0.00265 -0.03719 -0.28157 -0.05724 100 2S -0.33034 0.06383 0.15429 -0.34560 -0.13428 101 12 H 1S 0.13468 0.06205 -0.09440 0.13471 0.14720 102 2S 0.17812 -0.00723 -0.38263 0.15276 0.13345 103 13 H 1S -0.40235 -0.04102 -0.08455 0.20807 -0.09644 104 2S -0.24821 -0.03879 -0.03964 0.39233 -0.06887 105 14 H 1S 0.40230 -0.04101 -0.08464 -0.20810 -0.09630 106 2S 0.24824 -0.03878 -0.03979 -0.39235 -0.06894 107 15 C 1S -0.00441 0.00093 -0.01067 0.00721 0.01814 108 2S 0.02474 -0.01287 -0.11727 0.15399 0.34207 109 2PX -0.00470 -0.01369 -0.05849 -0.03455 0.09236 110 2PY 0.10180 -0.04657 -0.07241 0.00377 -0.02097 111 2PZ 0.09579 -0.03143 -0.02695 0.01810 0.19967 112 3S -0.55768 0.02133 -0.05541 -0.62435 -0.43638 113 3PX -0.66935 0.11324 0.00072 -0.02020 -0.01794 114 3PY -0.83841 0.08733 0.39901 -0.30336 0.01022 115 3PZ -0.98711 0.07776 0.28732 -0.09425 -0.18508 116 4XX 0.00605 0.01892 0.05976 0.01987 -0.08675 117 4YY 0.01858 0.02055 -0.03285 -0.00555 0.11481 118 4ZZ -0.08146 -0.05421 -0.03541 -0.03309 -0.06591 119 4XY -0.10630 0.07353 0.16397 -0.04390 -0.20424 120 4XZ 0.09138 0.07374 -0.11054 -0.00115 -0.13722 121 4YZ -0.02606 0.05049 0.00512 0.04271 -0.26356 122 16 C 1S 0.00439 0.00093 -0.01067 -0.00721 0.01816 123 2S -0.02481 -0.01290 -0.11718 -0.15401 0.34221 124 2PX 0.00476 -0.01368 -0.05851 0.03452 0.09238 125 2PY 0.10181 0.04658 0.07240 0.00379 0.02055 126 2PZ -0.09581 -0.03142 -0.02693 -0.01810 0.19964 127 3S 0.55844 0.02136 -0.05596 0.62433 -0.43576 128 3PX 0.66942 0.11324 0.00044 0.02027 -0.01830 129 3PY -0.83807 -0.08730 -0.39875 -0.30337 -0.01157 130 3PZ 0.98692 0.07771 0.28703 0.09415 -0.18385 131 4XX -0.00614 0.01893 0.05973 -0.01992 -0.08670 132 4YY -0.01850 0.02055 -0.03285 0.00560 0.11483 133 4ZZ 0.08142 -0.05422 -0.03540 0.03305 -0.06591 134 4XY -0.10602 -0.07355 -0.16394 -0.04389 0.20480 135 4XZ -0.09125 0.07373 -0.11055 0.00124 -0.13760 136 4YZ -0.02619 -0.05049 -0.00513 0.04272 0.26374 137 17 C 1S 0.00000 -0.02973 0.01145 0.00000 -0.03006 138 2S -0.00009 -0.45814 0.14936 -0.00001 -0.28435 139 2PX 0.00004 0.02926 -0.09247 0.00003 0.07289 140 2PY 0.10018 0.00002 -0.00001 0.01875 -0.00007 141 2PZ 0.00005 -0.06256 -0.04582 0.00000 0.02803 142 3S -0.00001 1.87515 0.00914 -0.00009 0.93777 143 3PX -0.00005 -0.31855 0.12455 -0.00001 -0.72040 144 3PY 0.19502 0.00005 -0.00004 -0.01363 -0.00020 145 3PZ -0.00015 -0.47225 0.13237 0.00001 0.04967 146 4XX 0.00006 0.03871 -0.15274 0.00001 0.15399 147 4YY -0.00010 0.15478 0.19588 -0.00001 -0.39646 148 4ZZ 0.00003 -0.17923 -0.04503 -0.00001 0.27184 149 4XY -0.09819 0.00000 0.00002 -0.03599 0.00000 150 4XZ 0.00012 0.05058 -0.12551 0.00000 0.20799 151 4YZ 0.00621 0.00003 0.00003 0.06820 0.00003 152 18 H 1S 0.17723 -0.04773 0.09538 -0.00886 0.26125 153 2S 0.60113 0.10174 0.21680 0.01303 -0.08179 154 19 H 1S 0.00003 -0.00296 0.01389 0.00002 -0.36273 155 2S 0.00005 -0.09459 -0.09024 0.00001 -0.08656 156 20 H 1S -0.17747 -0.04773 0.09542 0.00885 0.26056 157 2S -0.60138 0.10179 0.21691 -0.01304 -0.08237 158 21 O 1S -0.01605 0.02677 0.00078 -0.00052 0.00941 159 2S -0.12760 0.43327 0.07315 0.01543 0.12962 160 2PX -0.01719 0.01187 -0.05329 -0.01832 0.00225 161 2PY 0.04205 0.02607 0.06274 0.00826 0.03879 162 2PZ 0.02558 -0.01219 0.00892 0.00857 0.05841 163 3S 0.74944 -1.41800 -0.10843 0.04081 -0.41826 164 3PX -0.01994 -0.14159 -0.02433 -0.00805 0.09693 165 3PY 0.13137 -0.46441 -0.19553 0.00554 -0.16506 166 3PZ 0.02635 -0.09690 -0.16004 -0.01407 -0.09776 167 4XX 0.00929 0.05154 -0.01730 -0.02096 0.00718 168 4YY -0.16025 0.18219 -0.03389 0.01757 0.08601 169 4ZZ 0.01564 0.03308 0.09924 0.00391 0.00936 170 4XY 0.02334 -0.06680 0.12538 -0.00442 0.02752 171 4XZ 0.13655 0.16401 0.01429 0.05709 -0.07968 172 4YZ 0.05567 0.10431 -0.00219 0.01781 -0.15703 173 22 O 1S 0.01606 0.02677 0.00077 0.00052 0.00938 174 2S 0.12778 0.43331 0.07299 -0.01551 0.12972 175 2PX 0.01716 0.01186 -0.05327 0.01834 0.00216 176 2PY 0.04216 -0.02607 -0.06272 0.00829 -0.03921 177 2PZ -0.02563 -0.01219 0.00891 -0.00858 0.05849 178 3S -0.75011 -1.41810 -0.10793 -0.04066 -0.41801 179 3PX 0.02027 -0.14157 -0.02441 0.00805 0.09719 180 3PY 0.13121 0.46445 0.19542 0.00546 0.16563 181 3PZ -0.02596 -0.09682 -0.16002 0.01412 -0.09797 182 4XX -0.00930 0.05155 -0.01731 0.02094 0.00732 183 4YY 0.16041 0.18225 -0.03395 -0.01760 0.08512 184 4ZZ -0.01569 0.03304 0.09921 -0.00391 0.01001 185 4XY 0.02351 0.06680 -0.12539 -0.00439 -0.02800 186 4XZ -0.13643 0.16402 0.01424 -0.05707 -0.07931 187 4YZ 0.05575 -0.10429 0.00216 0.01779 0.15678 188 23 H 1S -0.00002 -0.20673 0.07908 0.00000 -0.03309 189 2S 0.00001 -0.13975 -0.06792 0.00003 0.20132 136 137 138 139 140 V V V V V Eigenvalues -- 1.88529 1.90843 1.93559 1.95824 1.97649 1 1 C 1S -0.00127 -0.01176 0.00809 -0.00054 0.00030 2 2S 0.06128 -0.33230 -0.05926 -0.08522 0.04686 3 2PX 0.03098 -0.04523 0.02101 -0.05784 0.01280 4 2PY 0.04190 -0.10034 -0.08223 0.17753 0.07786 5 2PZ 0.02359 0.00532 0.01660 -0.05956 0.00767 6 3S 0.13725 0.61279 -0.13732 0.17769 -0.20494 7 3PX 0.05583 0.25466 -0.13891 0.34520 0.05891 8 3PY 0.15319 0.10508 0.10878 -0.33934 -0.04999 9 3PZ 0.19323 0.21565 -0.02362 0.46773 0.09421 10 4XX -0.01908 -0.15563 -0.20983 -0.10451 0.10939 11 4YY 0.03059 0.21566 0.20241 0.01483 -0.12299 12 4ZZ 0.00137 -0.14539 0.00751 0.05814 -0.00002 13 4XY -0.03807 -0.03268 0.01407 -0.09658 -0.19668 14 4XZ -0.06285 0.12756 -0.14354 -0.11622 0.04826 15 4YZ -0.01231 -0.14870 -0.00695 -0.15023 -0.20410 16 2 C 1S 0.00131 -0.01176 0.00808 0.00055 0.00030 17 2S -0.06088 -0.33229 -0.05923 0.08533 0.04674 18 2PX -0.03088 -0.04523 0.02103 0.05788 0.01278 19 2PY 0.04182 0.10043 0.08215 0.17748 -0.07774 20 2PZ -0.02348 0.00533 0.01662 0.05959 0.00764 21 3S -0.13847 0.61243 -0.13694 -0.17808 -0.20461 22 3PX -0.05635 0.25444 -0.13871 -0.34536 0.05887 23 3PY 0.15323 -0.10520 -0.10865 -0.33928 0.04964 24 3PZ -0.19361 0.21536 -0.02339 -0.46789 0.09415 25 4XX 0.01914 -0.15556 -0.20989 0.10454 0.10951 26 4YY -0.03063 0.21559 0.20243 -0.01480 -0.12312 27 4ZZ -0.00124 -0.14538 0.00754 -0.05817 0.00000 28 4XY -0.03808 0.03262 -0.01389 -0.09660 0.19653 29 4XZ 0.06223 0.12765 -0.14358 0.11603 0.04842 30 4YZ -0.01235 0.14874 0.00699 -0.15026 0.20402 31 3 C 1S -0.00092 0.00090 -0.00047 -0.02238 0.00854 32 2S 0.06212 -0.07403 -0.00391 -0.45039 -0.14099 33 2PX 0.02028 0.03829 -0.06484 -0.04119 0.10342 34 2PY 0.06502 -0.02091 -0.06629 0.15532 0.12439 35 2PZ -0.04870 -0.01929 0.02261 -0.05138 0.06914 36 3S -0.27054 -0.14604 0.11366 1.31291 -0.14524 37 3PX -0.18334 0.20321 0.21457 -0.07916 -0.23952 38 3PY -0.21529 0.34671 -0.24176 0.16899 -0.17816 39 3PZ -0.03379 0.25697 -0.17264 0.13909 -0.16010 40 4XX -0.03791 -0.09765 0.18824 -0.25745 -0.00297 41 4YY 0.10530 -0.03072 -0.08189 0.40708 0.00080 42 4ZZ -0.08173 0.07842 -0.04237 -0.09327 -0.03737 43 4XY 0.04896 -0.01403 -0.29697 0.13388 0.06869 44 4XZ 0.01297 0.25161 -0.00992 -0.11382 0.09550 45 4YZ 0.07501 -0.04736 0.10406 -0.15442 0.06260 46 4 C 1S -0.03184 0.03100 0.00552 0.00097 -0.01527 47 2S -0.31327 -0.12496 -0.24080 -0.14906 -0.04508 48 2PX -0.02980 0.00914 -0.06669 -0.02870 -0.05576 49 2PY 0.00269 0.08253 0.11088 0.10596 -0.05542 50 2PZ 0.01184 0.02285 0.01415 0.08712 0.03132 51 3S 1.12442 -0.29499 0.18967 0.13610 0.32559 52 3PX 0.19101 -0.10220 -0.10177 0.51984 0.16869 53 3PY -0.21099 -0.29212 -0.05765 -0.60629 0.18146 54 3PZ -0.16941 -0.03797 0.05768 -0.36446 -0.12824 55 4XX 0.01088 -0.29076 -0.00245 -0.07558 0.10321 56 4YY 0.02376 0.32146 0.22706 -0.05279 -0.18767 57 4ZZ -0.03296 -0.02347 -0.18634 0.16026 0.08941 58 4XY 0.01973 -0.13197 -0.24610 -0.05136 -0.00662 59 4XZ -0.06175 0.21210 -0.09432 0.16603 -0.05254 60 4YZ 0.00773 -0.04116 0.01588 0.30050 -0.03008 61 5 C 1S 0.03181 0.03102 0.00552 -0.00097 -0.01526 62 2S 0.31320 -0.12478 -0.24065 0.14906 -0.04507 63 2PX 0.02988 0.00916 -0.06669 0.02872 -0.05573 64 2PY 0.00284 -0.08250 -0.11091 0.10597 0.05548 65 2PZ -0.01180 0.02287 0.01408 -0.08709 0.03138 66 3S -1.12399 -0.29569 0.18918 -0.13625 0.32532 67 3PX -0.19101 -0.10219 -0.10197 -0.51994 0.16862 68 3PY -0.21152 0.29181 0.05775 -0.60629 -0.18187 69 3PZ 0.16963 -0.03795 0.05804 0.36449 -0.12835 70 4XX -0.01056 -0.29072 -0.00246 0.07555 0.10325 71 4YY -0.02401 0.32142 0.22705 0.05273 -0.18770 72 4ZZ 0.03291 -0.02348 -0.18634 -0.16015 0.08939 73 4XY 0.01958 0.13209 0.24598 -0.05132 0.00676 74 4XZ 0.06155 0.21221 -0.09437 -0.16612 -0.05252 75 4YZ 0.00777 0.04131 -0.01589 0.30049 0.03021 76 6 C 1S 0.00092 0.00091 -0.00049 0.02237 0.00856 77 2S -0.06230 -0.07379 -0.00429 0.45030 -0.14068 78 2PX -0.02046 0.03832 -0.06487 0.04118 0.10344 79 2PY 0.06505 0.02098 0.06625 0.15535 -0.12433 80 2PZ 0.04868 -0.01929 0.02267 0.05140 0.06909 81 3S 0.27139 -0.14678 0.11496 -1.31238 -0.14604 82 3PX 0.18335 0.20313 0.21474 0.07915 -0.23967 83 3PY -0.21428 -0.34688 0.24198 0.16913 0.17846 84 3PZ 0.03341 0.25704 -0.17269 -0.13909 -0.16002 85 4XX 0.03825 -0.09768 0.18838 0.25756 -0.00294 86 4YY -0.10557 -0.03091 -0.08178 -0.40711 0.00055 87 4ZZ 0.08183 0.07861 -0.04256 0.09323 -0.03721 88 4XY 0.04918 0.01397 0.29700 0.13383 -0.06863 89 4XZ -0.01335 0.25165 -0.00991 0.11375 0.09553 90 4YZ 0.07494 0.04741 -0.10418 -0.15456 -0.06253 91 7 H 1S 0.10298 0.10242 0.07324 0.19703 0.17385 92 2S 0.07091 0.01817 -0.02617 0.03621 0.02152 93 8 H 1S -0.10278 0.10232 0.07331 -0.19696 0.17372 94 2S -0.07103 0.01813 -0.02615 -0.03622 0.02156 95 9 H 1S -0.00724 -0.00990 0.16434 -0.51557 0.04217 96 2S 0.15115 -0.14794 0.07187 -0.05845 0.06076 97 10 H 1S -0.12360 0.25384 0.17357 -0.12580 -0.08074 98 2S -0.13108 -0.00160 -0.06370 0.03168 -0.07936 99 11 H 1S 0.12340 0.25391 0.17366 0.12584 -0.08071 100 2S 0.13084 -0.00155 -0.06365 -0.03164 -0.07933 101 12 H 1S 0.00755 -0.00971 0.16418 0.51559 0.04253 102 2S -0.15081 -0.14795 0.07182 0.05846 0.06085 103 13 H 1S 0.09051 0.22375 -0.12167 -0.12721 -0.08408 104 2S -0.01297 -0.03383 -0.02110 -0.28850 0.07773 105 14 H 1S -0.09073 0.22365 -0.12161 0.12716 -0.08411 106 2S 0.01285 -0.03384 -0.02105 0.28846 0.07779 107 15 C 1S 0.00837 0.01014 -0.00139 -0.01407 -0.00144 108 2S 0.12291 0.02826 0.13511 -0.13277 0.21199 109 2PX -0.01874 0.08755 -0.07036 0.06274 0.12016 110 2PY 0.18550 0.00140 -0.00914 0.04396 -0.02247 111 2PZ -0.02092 0.05394 -0.04874 -0.02393 0.07415 112 3S 0.22138 0.10191 -0.25745 0.61339 0.17101 113 3PX -0.07275 -0.01345 0.06496 0.08221 -0.17733 114 3PY 0.80607 -0.07314 -0.04018 -0.01493 -0.29296 115 3PZ 0.63143 0.06649 -0.25080 0.35298 -0.34310 116 4XX -0.00758 0.04195 -0.13791 -0.01669 -0.10764 117 4YY 0.04559 0.02452 0.08134 0.04685 0.10554 118 4ZZ -0.03318 -0.02738 0.00728 0.00809 -0.01196 119 4XY -0.27402 -0.03967 -0.00624 0.03128 0.09396 120 4XZ -0.17050 -0.17973 0.14889 -0.05911 -0.22151 121 4YZ -0.05640 -0.13123 0.22145 -0.02813 0.22493 122 16 C 1S -0.00835 0.01015 -0.00141 0.01407 -0.00145 123 2S -0.12241 0.02859 0.13462 0.13276 0.21235 124 2PX 0.01891 0.08749 -0.07028 -0.06279 0.12019 125 2PY 0.18562 -0.00134 0.00911 0.04400 0.02234 126 2PZ 0.02133 0.05399 -0.04877 0.02392 0.07427 127 3S -0.22210 0.10025 -0.25556 -0.61357 0.17060 128 3PX 0.07279 -0.01364 0.06507 -0.08215 -0.17719 129 3PY 0.80599 0.07378 0.03992 -0.01505 0.29300 130 3PZ -0.63162 0.06565 -0.25044 -0.35295 -0.34338 131 4XX 0.00730 0.04188 -0.13782 0.01663 -0.10774 132 4YY -0.04525 0.02446 0.08142 -0.04679 0.10574 133 4ZZ 0.03302 -0.02732 0.00717 -0.00812 -0.01206 134 4XY -0.27362 0.03967 0.00613 0.03129 -0.09376 135 4XZ 0.17021 -0.17961 0.14889 0.05920 -0.22162 136 4YZ -0.05597 0.13121 -0.22138 -0.02813 -0.22491 137 17 C 1S -0.00002 -0.01989 0.01310 0.00001 -0.02276 138 2S -0.00018 -0.21753 0.13179 0.00003 -0.06185 139 2PX 0.00007 0.01859 0.04908 0.00001 -0.00808 140 2PY 0.04606 -0.00002 0.00003 0.10174 -0.00020 141 2PZ 0.00004 -0.00154 -0.00205 0.00002 -0.03364 142 3S 0.00054 0.82885 -0.80694 -0.00020 0.47162 143 3PX -0.00061 -0.40514 0.51723 -0.00005 0.37605 144 3PY 0.19163 0.00002 0.00000 -0.04650 0.00013 145 3PZ 0.00012 -0.04787 -0.11642 0.00010 -0.39630 146 4XX 0.00013 0.08979 0.10208 -0.00005 0.28116 147 4YY -0.00036 -0.16319 -0.01012 0.00002 -0.30415 148 4ZZ 0.00025 0.09535 -0.09598 0.00002 0.02594 149 4XY -0.05585 -0.00001 0.00002 0.17058 -0.00027 150 4XZ 0.00019 0.10469 -0.11033 0.00002 -0.07875 151 4YZ -0.10770 -0.00004 0.00003 0.09287 -0.00032 152 18 H 1S -0.36602 0.12198 -0.22661 0.01833 -0.25837 153 2S -0.35138 -0.04408 0.01572 -0.05857 -0.19273 154 19 H 1S -0.00032 -0.16416 0.21645 -0.00001 0.02316 155 2S -0.00005 -0.10703 0.17349 -0.00002 0.12479 156 20 H 1S 0.36651 0.12212 -0.22655 -0.01831 -0.25845 157 2S 0.35126 -0.04384 0.01578 0.05867 -0.19264 158 21 O 1S -0.01508 0.01040 -0.01791 0.01371 -0.01443 159 2S 0.01780 0.26962 -0.24344 -0.03286 0.28899 160 2PX -0.00859 -0.05241 0.06138 -0.03564 -0.05754 161 2PY 0.21170 0.03263 -0.02562 -0.07798 0.09300 162 2PZ 0.05559 -0.00192 -0.07258 -0.09254 -0.13615 163 3S 0.17637 -0.76100 0.83098 -0.28124 -0.27755 164 3PX 0.05466 0.15240 -0.20887 0.15381 -0.06865 165 3PY -0.29783 -0.19154 0.27813 0.07133 -0.02830 166 3PZ -0.14167 -0.01390 0.20873 0.18124 0.27670 167 4XX 0.07845 0.05578 -0.05251 0.00785 -0.03672 168 4YY -0.44200 0.11093 -0.10653 0.08146 0.07366 169 4ZZ 0.29942 -0.01668 0.01190 -0.03835 0.05527 170 4XY 0.24538 0.00655 -0.11413 0.05770 -0.15932 171 4XZ 0.17120 -0.00803 -0.07738 -0.04297 -0.21481 172 4YZ 0.12651 -0.06803 0.13219 0.02461 0.12413 173 22 O 1S 0.01509 0.01039 -0.01789 -0.01372 -0.01441 174 2S -0.01765 0.26934 -0.24315 0.03272 0.28872 175 2PX 0.00858 -0.05238 0.06136 0.03564 -0.05772 176 2PY 0.21162 -0.03254 0.02561 -0.07798 -0.09276 177 2PZ -0.05546 -0.00193 -0.07256 0.09255 -0.13635 178 3S -0.17686 -0.76009 0.83008 0.28157 -0.27726 179 3PX -0.05441 0.15214 -0.20861 -0.15378 -0.06850 180 3PY -0.29760 0.19128 -0.27801 0.07130 0.02808 181 3PZ 0.14151 -0.01391 0.20879 -0.18128 0.27696 182 4XX -0.07843 0.05574 -0.05245 -0.00783 -0.03676 183 4YY 0.44205 0.11093 -0.10638 -0.08152 0.07369 184 4ZZ -0.29934 -0.01678 0.01186 0.03833 0.05519 185 4XY 0.24532 -0.00651 0.11422 0.05761 0.15910 186 4XZ -0.17134 -0.00814 -0.07729 0.04302 -0.21468 187 4YZ 0.12693 0.06810 -0.13223 0.02461 -0.12438 188 23 H 1S 0.00001 -0.05451 -0.13322 0.00008 -0.38123 189 2S 0.00021 0.06028 -0.06773 0.00004 -0.19218 141 142 143 144 145 V V V V V Eigenvalues -- 1.97828 1.98101 2.00055 2.01934 2.04153 1 1 C 1S 0.00022 0.00209 0.01314 -0.00286 0.01246 2 2S -0.16074 -0.21530 0.04740 -0.06080 0.08257 3 2PX -0.04435 -0.07411 -0.00708 -0.02304 0.00571 4 2PY -0.09782 -0.07821 0.11702 0.01889 0.06558 5 2PZ -0.04511 -0.07265 0.05059 0.02860 0.03879 6 3S 0.33653 0.17465 -0.65736 0.06207 -0.45335 7 3PX -0.01690 -0.05730 -0.13789 0.11185 -0.18117 8 3PY 0.36083 0.36668 -0.05245 0.05198 -0.10220 9 3PZ 0.00095 -0.00084 -0.09388 0.08040 -0.20308 10 4XX 0.05148 0.02350 0.08289 0.06096 0.03495 11 4YY -0.05682 -0.07716 -0.10627 -0.08427 -0.02086 12 4ZZ 0.00898 0.04689 0.05044 0.04567 0.01061 13 4XY 0.10500 0.12016 -0.24317 -0.02801 -0.08034 14 4XZ 0.09904 0.08213 -0.08654 0.00279 -0.14105 15 4YZ 0.01807 -0.05064 -0.32312 -0.08075 -0.12346 16 2 C 1S -0.00022 -0.00209 0.01314 -0.00286 0.01246 17 2S 0.16082 0.21532 0.04702 -0.06060 0.08243 18 2PX 0.04436 0.07411 -0.00721 -0.02299 0.00568 19 2PY -0.09800 -0.07830 -0.11692 -0.01893 -0.06556 20 2PZ 0.04513 0.07267 0.05047 0.02864 0.03875 21 3S -0.33690 -0.17472 -0.65668 0.06142 -0.45279 22 3PX 0.01702 0.05736 -0.13779 0.11166 -0.18102 23 3PY 0.36100 0.36680 0.05190 -0.05168 0.10208 24 3PZ -0.00078 0.00086 -0.09368 0.08012 -0.20287 25 4XX -0.05125 -0.02340 0.08294 0.06097 0.03493 26 4YY 0.05657 0.07709 -0.10651 -0.08424 -0.02094 27 4ZZ -0.00899 -0.04695 0.05063 0.04562 0.01070 28 4XY 0.10543 0.12031 0.24304 0.02805 0.08031 29 4XZ -0.09892 -0.08210 -0.08637 0.00277 -0.14100 30 4YZ 0.01855 -0.05042 0.32314 0.08071 0.12348 31 3 C 1S 0.02150 0.02664 -0.01447 -0.00219 -0.00018 32 2S 0.23812 0.16779 -0.71193 0.00377 -0.31323 33 2PX 0.03049 -0.00142 0.05450 0.04533 -0.01652 34 2PY -0.04186 0.00722 0.15612 0.01471 0.08953 35 2PZ -0.06256 -0.13308 0.08266 0.04336 -0.02912 36 3S -0.68690 -0.79064 1.44934 -0.11511 0.58222 37 3PX -0.14372 -0.12925 -0.01416 -0.00477 -0.12279 38 3PY -0.17963 0.01238 -0.63473 0.17934 -0.64194 39 3PZ 0.21720 0.48590 -0.12722 -0.17828 0.01622 40 4XX -0.01840 -0.16028 0.02145 -0.03461 0.00193 41 4YY -0.19454 -0.07967 -0.15614 0.05914 -0.07028 42 4ZZ 0.19223 0.24226 0.14188 -0.05449 0.11653 43 4XY -0.03987 0.02366 0.10288 -0.07685 -0.00361 44 4XZ 0.01616 0.02145 0.03514 0.07351 -0.00910 45 4YZ -0.13675 -0.27113 0.05101 0.06648 0.00927 46 4 C 1S 0.01736 0.02166 0.01874 -0.00580 0.00655 47 2S -0.02804 -0.18007 0.10137 -0.02117 -0.13072 48 2PX 0.01993 0.00653 0.00915 -0.03792 0.01754 49 2PY -0.03323 -0.02677 -0.06326 0.02087 -0.02120 50 2PZ 0.08077 0.14850 0.05688 -0.00177 0.07395 51 3S -0.33139 -0.10455 -0.61344 0.16369 -0.07786 52 3PX 0.11894 0.39764 0.03423 -0.06060 0.12341 53 3PY 0.28549 0.08575 0.01297 -0.01488 0.08628 54 3PZ -0.16244 -0.40496 0.17309 -0.07539 0.00417 55 4XX 0.01586 -0.06782 -0.03368 0.02144 -0.05617 56 4YY -0.04713 -0.07079 -0.00790 -0.03810 0.05076 57 4ZZ 0.03825 0.17044 0.06954 0.01612 0.03147 58 4XY -0.17612 -0.22105 -0.05188 -0.10339 0.03690 59 4XZ 0.08602 0.20913 0.01137 -0.03181 0.00562 60 4YZ -0.08547 0.00727 -0.10393 0.04283 -0.13132 61 5 C 1S -0.01736 -0.02163 0.01876 -0.00580 0.00656 62 2S 0.02805 0.18011 0.10111 -0.02100 -0.13086 63 2PX -0.01997 -0.00649 0.00919 -0.03792 0.01753 64 2PY -0.03309 -0.02672 0.06327 -0.02088 0.02120 65 2PZ -0.08070 -0.14846 0.05707 -0.00188 0.07403 66 3S 0.33140 0.10399 -0.61349 0.16369 -0.07782 67 3PX -0.11869 -0.39768 0.03448 -0.06093 0.12369 68 3PY 0.28525 0.08583 -0.01305 0.01493 -0.08632 69 3PZ 0.16235 0.40502 0.17266 -0.07511 0.00396 70 4XX -0.01589 0.06753 -0.03378 0.02146 -0.05619 71 4YY 0.04695 0.07091 -0.00803 -0.03806 0.05070 72 4ZZ -0.03802 -0.17025 0.06979 0.01603 0.03156 73 4XY -0.17613 -0.22103 0.05211 0.10327 -0.03681 74 4XZ -0.08598 -0.20901 0.01160 -0.03189 0.00566 75 4YZ -0.08529 0.00745 0.10389 -0.04283 0.13133 76 6 C 1S -0.02149 -0.02663 -0.01444 -0.00220 -0.00018 77 2S -0.23866 -0.16818 -0.71181 0.00378 -0.31329 78 2PX -0.03032 0.00145 0.05445 0.04533 -0.01654 79 2PY -0.04215 0.00708 -0.15616 -0.01469 -0.08955 80 2PZ 0.06264 0.13305 0.08248 0.04344 -0.02918 81 3S 0.68714 0.79113 1.44868 -0.11512 0.58238 82 3PX 0.14334 0.12922 -0.01418 -0.00461 -0.12287 83 3PY -0.17914 0.01267 0.63492 -0.17960 0.64218 84 3PZ -0.21732 -0.48567 -0.12657 -0.17853 0.01644 85 4XX 0.01831 0.16019 0.02133 -0.03454 0.00191 86 4YY 0.19452 0.07967 -0.15621 0.05919 -0.07033 87 4ZZ -0.19218 -0.24217 0.14209 -0.05463 0.11662 88 4XY -0.04012 0.02347 -0.10284 0.07685 0.00360 89 4XZ -0.01600 -0.02140 0.03514 0.07351 -0.00912 90 4YZ -0.13670 -0.27101 -0.05076 -0.06660 -0.00921 91 7 H 1S -0.09388 -0.06127 0.30273 0.06089 0.13019 92 2S 0.05994 0.04624 -0.07930 0.02752 -0.10680 93 8 H 1S 0.09424 0.06141 0.30266 0.06091 0.13016 94 2S -0.05996 -0.04630 -0.07918 0.02741 -0.10674 95 9 H 1S 0.26405 0.12309 0.07278 -0.05716 0.14407 96 2S 0.08711 0.06596 0.06722 -0.07657 0.16274 97 10 H 1S 0.00184 -0.01238 0.10615 0.03089 0.01866 98 2S 0.01466 -0.11392 0.02946 0.04776 -0.10348 99 11 H 1S -0.00187 0.01254 0.10617 0.03093 0.01864 100 2S -0.01474 0.11399 0.02941 0.04783 -0.10357 101 12 H 1S -0.26397 -0.12305 0.07295 -0.05725 0.14414 102 2S -0.08701 -0.06595 0.06732 -0.07666 0.16280 103 13 H 1S -0.08050 -0.17155 0.05734 -0.08970 0.07372 104 2S -0.01690 -0.12352 0.03643 0.02504 0.02167 105 14 H 1S 0.08056 0.17176 0.05720 -0.08962 0.07366 106 2S 0.01700 0.12350 0.03635 0.02514 0.02158 107 15 C 1S 0.01268 0.01708 0.00850 0.00490 0.00219 108 2S 0.42781 0.28690 -0.04417 0.16439 0.30806 109 2PX -0.00493 -0.12710 -0.12067 -0.04872 -0.03454 110 2PY 0.05043 -0.03767 -0.09398 0.20065 0.19549 111 2PZ 0.08727 -0.01752 -0.04844 0.05647 -0.01696 112 3S -1.12042 -1.19429 -0.52531 -0.20873 -0.08258 113 3PX 0.04170 0.26060 0.27733 0.15648 0.01668 114 3PY -0.20570 0.00090 0.39446 -0.09548 -0.43769 115 3PZ -0.30236 -0.17962 0.07146 0.09194 -0.23705 116 4XX -0.08612 -0.08405 -0.09487 0.33038 0.02753 117 4YY 0.08030 -0.05167 0.18172 -0.35611 -0.29910 118 4ZZ 0.00642 0.07463 -0.14930 0.05705 0.28455 119 4XY -0.12868 -0.00983 -0.07247 -0.12461 0.02117 120 4XZ -0.08792 0.09321 0.23355 0.06511 0.17952 121 4YZ 0.01918 0.02420 -0.11115 -0.25491 0.18328 122 16 C 1S -0.01268 -0.01709 0.00853 0.00490 0.00218 123 2S -0.42775 -0.28718 -0.04379 0.16429 0.30790 124 2PX 0.00507 0.12704 -0.12073 -0.04872 -0.03453 125 2PY 0.05057 -0.03762 0.09397 -0.20061 -0.19550 126 2PZ -0.08719 0.01745 -0.04840 0.05641 -0.01702 127 3S 1.12073 1.19444 -0.52651 -0.20904 -0.08168 128 3PX -0.04189 -0.26051 0.27758 0.15621 0.01711 129 3PY -0.20553 0.00070 -0.39447 0.09591 0.43731 130 3PZ 0.30202 0.17985 0.07151 0.09172 -0.23668 131 4XX 0.08590 0.08402 -0.09493 0.33045 0.02754 132 4YY -0.08001 0.05173 0.18169 -0.35622 -0.29903 133 4ZZ -0.00651 -0.07467 -0.14922 0.05709 0.28450 134 4XY -0.12881 -0.00984 0.07254 0.12452 -0.02125 135 4XZ 0.08763 -0.09310 0.23349 0.06521 0.17953 136 4YZ 0.01897 0.02433 0.11117 0.25481 -0.18337 137 17 C 1S 0.00000 0.00001 0.03157 -0.02233 -0.03146 138 2S -0.00004 0.00003 0.08924 0.02851 -0.02683 139 2PX 0.00002 0.00000 0.09475 -0.04578 -0.12529 140 2PY 0.30032 -0.16782 -0.00003 0.00003 0.00002 141 2PZ 0.00005 0.00003 0.03836 -0.15599 -0.01716 142 3S 0.00003 -0.00032 -0.97414 0.81995 0.86545 143 3PX 0.00003 -0.00022 0.03290 0.54391 -0.39743 144 3PY -0.17225 0.13370 0.00001 0.00001 -0.00004 145 3PZ -0.00011 0.00023 0.15089 -0.47385 0.46262 146 4XX 0.00009 -0.00016 -0.04316 0.31200 -0.24922 147 4YY -0.00022 0.00016 0.15816 -0.06821 -0.06613 148 4ZZ 0.00012 -0.00002 -0.12921 -0.19957 0.34030 149 4XY 0.40429 -0.30861 -0.00004 0.00004 0.00004 150 4XZ 0.00007 0.00002 0.11034 -0.11714 -0.35827 151 4YZ 0.42285 -0.28580 -0.00001 0.00003 -0.00002 152 18 H 1S -0.09309 -0.07906 0.16526 0.28135 -0.27921 153 2S 0.05239 -0.06885 0.21038 -0.03567 -0.09282 154 19 H 1S -0.00002 -0.00004 0.21947 0.19808 -0.60080 155 2S 0.00005 -0.00005 0.00904 0.03183 -0.13672 156 20 H 1S 0.09287 0.07915 0.16505 0.28149 -0.27923 157 2S -0.05258 0.06897 0.21026 -0.03554 -0.09292 158 21 O 1S 0.00968 -0.01963 -0.00312 0.02233 0.00280 159 2S -0.28418 -0.07912 -0.39976 0.05205 0.17493 160 2PX -0.12396 0.16439 0.06294 0.24734 0.05501 161 2PY -0.17041 0.14200 -0.06942 0.00235 0.03520 162 2PZ -0.14463 0.08513 0.01801 0.08258 0.12267 163 3S 0.48720 0.49643 0.83470 -0.45888 -0.38112 164 3PX 0.02939 -0.37036 -0.07082 -0.42597 -0.07654 165 3PY 0.19678 -0.08099 0.17944 -0.20354 -0.08805 166 3PZ 0.14751 -0.14904 0.01030 -0.01438 -0.29292 167 4XX -0.05589 0.08358 0.01646 -0.09492 0.10446 168 4YY 0.00140 -0.19254 -0.13294 -0.01324 0.09058 169 4ZZ -0.04091 0.03238 -0.04839 0.18378 -0.14726 170 4XY 0.19312 -0.03261 0.06275 -0.26859 0.02642 171 4XZ 0.04399 -0.11242 0.08641 0.02843 -0.01766 172 4YZ 0.15098 -0.08931 0.06441 0.06546 -0.22760 173 22 O 1S -0.00970 0.01963 -0.00313 0.02233 0.00281 174 2S 0.28443 0.07894 -0.39986 0.05201 0.17504 175 2PX 0.12380 -0.16445 0.06294 0.24735 0.05503 176 2PY -0.17053 0.14207 0.06940 -0.00233 -0.03525 177 2PZ 0.14444 -0.08505 0.01798 0.08261 0.12266 178 3S -0.48733 -0.49619 0.83495 -0.45869 -0.38162 179 3PX -0.02922 0.37060 -0.07092 -0.42599 -0.07648 180 3PY 0.19676 -0.08111 -0.17942 0.20340 0.08822 181 3PZ -0.14718 0.14886 0.01027 -0.01439 -0.29282 182 4XX 0.05591 -0.08350 0.01646 -0.09496 0.10452 183 4YY -0.00137 0.19254 -0.13301 -0.01314 0.09055 184 4ZZ 0.04093 -0.03253 -0.04836 0.18371 -0.14721 185 4XY 0.19315 -0.03284 -0.06288 0.26871 -0.02640 186 4XZ -0.04415 0.11256 0.08638 0.02847 -0.01766 187 4YZ 0.15089 -0.08915 -0.06445 -0.06543 0.22764 188 23 H 1S -0.00006 0.00022 0.16959 -0.50492 0.10638 189 2S -0.00003 0.00011 0.13291 -0.24574 0.04505 146 147 148 149 150 V V V V V Eigenvalues -- 2.08885 2.12026 2.14078 2.16026 2.23003 1 1 C 1S -0.02420 0.00766 0.00693 0.00308 -0.00494 2 2S -0.50735 0.37202 -0.10836 0.03803 0.03633 3 2PX -0.05221 0.14153 -0.00795 0.00350 -0.00803 4 2PY -0.16455 0.05259 -0.06221 0.02741 0.07310 5 2PZ -0.06289 0.11546 -0.02163 0.00762 -0.03312 6 3S 0.61295 -0.94771 -0.35009 -0.08875 -0.28830 7 3PX 0.36098 -0.37264 -0.04513 -0.05148 0.09222 8 3PY 0.22655 -0.32653 0.19182 -0.08907 -0.22262 9 3PZ 0.36934 -0.32227 -0.14586 0.00135 -0.13516 10 4XX -0.07830 0.04209 0.05225 -0.01341 0.09933 11 4YY 0.24065 0.11407 0.18219 -0.03660 0.03311 12 4ZZ -0.22855 -0.11397 -0.25481 0.06669 -0.18357 13 4XY -0.17197 0.08373 -0.04905 -0.05177 0.09605 14 4XZ 0.21392 -0.18797 -0.15468 0.01366 0.06062 15 4YZ -0.07713 -0.08031 0.00170 -0.06109 -0.18844 16 2 C 1S -0.02421 -0.00766 0.00692 0.00308 0.00494 17 2S -0.50749 -0.37210 -0.10835 0.03807 -0.03635 18 2PX -0.05222 -0.14153 -0.00786 0.00353 0.00803 19 2PY 0.16455 0.05265 0.06221 -0.02741 0.07307 20 2PZ -0.06288 -0.11547 -0.02157 0.00764 0.03311 21 3S 0.61387 0.94795 -0.34912 -0.08845 0.28845 22 3PX 0.36131 0.37276 -0.04491 -0.05135 -0.09215 23 3PY -0.22694 -0.32663 -0.19204 0.08901 -0.22258 24 3PZ 0.36965 0.32227 -0.14546 0.00150 0.13514 25 4XX -0.07826 -0.04203 0.05220 -0.01335 -0.09921 26 4YY 0.24060 -0.11403 0.18223 -0.03660 -0.03313 27 4ZZ -0.22855 0.11384 -0.25476 0.06665 0.18347 28 4XY 0.17202 0.08370 0.04903 0.05174 0.09608 29 4XZ 0.21398 0.18805 -0.15475 0.01364 -0.06056 30 4YZ 0.07717 -0.08041 -0.00158 0.06110 -0.18853 31 3 C 1S -0.00632 0.00568 -0.00623 0.00598 -0.00034 32 2S -0.02710 0.18590 0.02871 -0.13018 0.16871 33 2PX 0.11309 0.10395 0.02679 -0.00505 -0.01182 34 2PY -0.01547 0.04340 -0.03290 0.07833 -0.03844 35 2PZ 0.21732 0.01082 0.02865 -0.00455 0.02014 36 3S -0.13416 -0.69454 0.20428 -0.00805 -0.26144 37 3PX 0.16408 -0.42075 -0.44380 0.05105 0.04370 38 3PY 0.18512 0.14828 -0.35682 -0.25446 0.29819 39 3PZ -0.09377 0.06960 0.07525 -0.06416 -0.18470 40 4XX 0.19723 -0.22893 0.08152 0.02957 -0.14363 41 4YY -0.02398 0.09722 -0.17617 0.06555 0.14392 42 4ZZ -0.20310 0.06139 0.12684 -0.07142 -0.00860 43 4XY -0.04168 0.27313 0.16226 -0.11499 -0.06962 44 4XZ 0.10194 0.19418 -0.08343 0.06168 -0.02306 45 4YZ 0.09041 0.06864 -0.09302 0.05966 0.00264 46 4 C 1S -0.00784 0.01015 0.01557 -0.01196 -0.00441 47 2S 0.42792 0.26060 -0.19508 -0.04766 -0.11220 48 2PX -0.01451 -0.00899 0.02611 -0.02389 -0.03448 49 2PY -0.12057 -0.03420 0.08260 -0.03279 0.02765 50 2PZ -0.09793 -0.05366 0.09487 0.00050 0.00939 51 3S -0.16569 -0.44288 -0.12664 0.24035 0.51145 52 3PX 0.06186 0.09182 0.57239 -0.00603 0.04616 53 3PY 0.21712 0.15917 -0.09758 0.15001 -0.11232 54 3PZ 0.33240 -0.00010 -0.17786 0.01127 -0.03806 55 4XX 0.41135 -0.14030 0.15276 0.01602 0.12099 56 4YY -0.21650 0.07221 0.17043 -0.06507 -0.01465 57 4ZZ -0.24202 0.03003 -0.24563 0.02933 -0.07156 58 4XY 0.00403 0.13835 0.42656 -0.10133 -0.10143 59 4XZ 0.03480 -0.05557 0.17136 -0.01729 -0.12110 60 4YZ 0.15246 -0.13876 -0.07723 -0.04738 0.00655 61 5 C 1S -0.00785 -0.01015 0.01558 -0.01195 0.00441 62 2S 0.42779 -0.26078 -0.19494 -0.04757 0.11225 63 2PX -0.01450 0.00898 0.02611 -0.02388 0.03447 64 2PY 0.12060 -0.03428 -0.08258 0.03281 0.02765 65 2PZ -0.09787 0.05366 0.09490 0.00053 -0.00942 66 3S -0.16561 0.44316 -0.12754 0.23979 -0.51145 67 3PX 0.06178 -0.09163 0.57252 -0.00594 -0.04625 68 3PY -0.21712 0.15923 0.09739 -0.15018 -0.11233 69 3PZ 0.33241 -0.00011 -0.17782 0.01133 0.03808 70 4XX 0.41135 0.14024 0.15264 0.01599 -0.12104 71 4YY -0.21646 -0.07208 0.17048 -0.06509 0.01467 72 4ZZ -0.24205 -0.03008 -0.24558 0.02936 0.07158 73 4XY -0.00412 0.13821 -0.42674 0.10133 -0.10138 74 4XZ 0.03470 0.05566 0.17119 -0.01728 0.12107 75 4YZ -0.15243 -0.13873 0.07739 0.04743 0.00652 76 6 C 1S -0.00633 -0.00565 -0.00625 0.00598 0.00035 77 2S -0.02731 -0.18564 0.02843 -0.13027 -0.16861 78 2PX 0.11303 -0.10390 0.02679 -0.00505 0.01182 79 2PY 0.01540 0.04340 0.03283 -0.07836 -0.03844 80 2PZ 0.21729 -0.01083 0.02865 -0.00458 -0.02014 81 3S -0.13343 0.69359 0.20533 -0.00767 0.26116 82 3PX 0.16411 0.42044 -0.44406 0.05091 -0.04371 83 3PY -0.18471 0.14814 0.35753 0.25474 0.29809 84 3PZ -0.09382 -0.06945 0.07541 -0.06406 0.18481 85 4XX 0.19731 0.22898 0.08146 0.02952 0.14369 86 4YY -0.02398 -0.09732 -0.17623 0.06554 -0.14394 87 4ZZ -0.20315 -0.06132 0.12696 -0.07138 0.00854 88 4XY 0.04169 0.27305 -0.16246 0.11491 -0.06970 89 4XZ 0.10190 -0.19410 -0.08338 0.06173 0.02308 90 4YZ -0.09039 0.06871 0.09295 -0.05963 0.00266 91 7 H 1S 0.09187 0.09757 0.14127 0.02353 0.04701 92 2S 0.12201 -0.14745 -0.03599 -0.01553 -0.05374 93 8 H 1S 0.09190 -0.09760 0.14132 0.02358 -0.04706 94 2S 0.12214 0.14748 -0.03587 -0.01550 0.05375 95 9 H 1S 0.01147 -0.04455 0.16791 0.02348 -0.12647 96 2S -0.10642 0.06182 0.14993 0.08992 -0.03816 97 10 H 1S -0.21117 0.04513 -0.40570 0.05331 -0.05596 98 2S -0.06037 0.05247 0.02628 -0.15331 -0.00815 99 11 H 1S -0.21115 -0.04522 -0.40564 0.05336 0.05603 100 2S -0.06036 -0.05248 0.02630 -0.15332 0.00817 101 12 H 1S 0.01151 0.04466 0.16797 0.02351 0.12648 102 2S -0.10636 -0.06177 0.15009 0.08999 0.03817 103 13 H 1S -0.10274 -0.12157 0.36388 -0.08061 0.12618 104 2S -0.02392 0.01781 0.17086 -0.01622 -0.05191 105 14 H 1S -0.10270 0.12172 0.36378 -0.08067 -0.12623 106 2S -0.02389 -0.01776 0.17083 -0.01623 0.05188 107 15 C 1S 0.00262 0.00050 0.00366 0.02932 0.00929 108 2S 0.02995 0.33160 0.22632 0.49978 0.01259 109 2PX -0.07174 -0.14984 -0.01854 0.01350 -0.02870 110 2PY -0.00546 0.00775 0.11520 0.20760 -0.07008 111 2PZ -0.04590 0.02240 0.03356 0.07236 -0.00158 112 3S -0.18315 -1.23100 -0.07111 -0.52703 -0.67563 113 3PX 0.23748 0.15666 -0.08260 -0.35610 -0.19398 114 3PY 0.15421 -0.12869 -0.30640 -0.47258 -0.42287 115 3PZ 0.20131 -0.63319 -0.20104 -0.41029 -0.26972 116 4XX 0.01378 -0.06104 0.04963 -0.15238 0.09884 117 4YY -0.04339 0.01524 -0.10282 -0.22316 -0.06333 118 4ZZ 0.02227 -0.09774 0.03577 0.42250 -0.03398 119 4XY -0.05167 -0.05828 0.05415 0.03084 -0.19513 120 4XZ 0.02481 0.41786 -0.01182 -0.16816 -0.07780 121 4YZ -0.04540 0.00704 0.01939 0.00844 0.34115 122 16 C 1S 0.00262 -0.00051 0.00364 0.02931 -0.00930 123 2S 0.02974 -0.33161 0.22621 0.49982 -0.01281 124 2PX -0.07171 0.14987 -0.01859 0.01350 0.02870 125 2PY 0.00547 0.00765 -0.11523 -0.20762 -0.07001 126 2PZ -0.04592 -0.02238 0.03353 0.07233 0.00155 127 3S -0.18239 1.23146 -0.07033 -0.52692 0.67593 128 3PX 0.23747 -0.15689 -0.08239 -0.35593 0.19403 129 3PY -0.15442 -0.12841 0.30603 0.47258 -0.42300 130 3PZ 0.20160 0.63318 -0.20080 -0.41032 0.26987 131 4XX 0.01384 0.06110 0.04965 -0.15240 -0.09887 132 4YY -0.04340 -0.01540 -0.10281 -0.22315 0.06328 133 4ZZ 0.02227 0.09785 0.03571 0.42248 0.03407 134 4XY 0.05165 -0.05830 -0.05415 -0.03086 -0.19518 135 4XZ 0.02478 -0.41800 -0.01169 -0.16807 0.07780 136 4YZ 0.04541 0.00706 -0.01940 -0.00850 0.34125 137 17 C 1S 0.00183 0.00000 -0.00350 -0.02379 0.00000 138 2S -0.06291 0.00001 0.11980 -0.54499 0.00005 139 2PX 0.01967 -0.00002 -0.08078 0.08789 0.00000 140 2PY 0.00001 0.09727 0.00000 -0.00001 0.02679 141 2PZ 0.00601 0.00001 -0.03125 0.05956 0.00000 142 3S 0.19777 -0.00004 -0.19575 0.89066 -0.00008 143 3PX -0.36896 0.00018 0.56908 -0.79252 0.00009 144 3PY -0.00002 -0.07220 0.00004 0.00006 0.03449 145 3PZ 0.29252 -0.00020 -0.40610 -0.46937 0.00003 146 4XX -0.07064 -0.00001 0.01316 -0.36943 -0.00002 147 4YY 0.05372 0.00001 0.04603 0.32829 -0.00007 148 4ZZ 0.04953 -0.00002 -0.10234 0.04523 0.00010 149 4XY 0.00000 0.05165 -0.00003 -0.00007 -0.49482 150 4XZ -0.07203 0.00007 0.17824 0.59135 -0.00012 151 4YZ 0.00000 0.11383 -0.00001 0.00002 0.43083 152 18 H 1S 0.09731 0.04050 -0.07769 -0.13497 0.14473 153 2S 0.15449 0.04276 -0.09063 -0.18536 0.08838 154 19 H 1S -0.18732 0.00011 0.31817 0.05197 -0.00002 155 2S -0.11877 0.00006 0.06779 0.04154 0.00002 156 20 H 1S 0.09731 -0.04059 -0.07771 -0.13492 -0.14467 157 2S 0.15445 -0.04289 -0.09071 -0.18538 -0.08836 158 21 O 1S 0.00836 0.00358 -0.00123 0.01024 -0.00640 159 2S 0.02680 -0.40712 -0.09692 -0.16465 -0.09704 160 2PX 0.02094 0.12341 0.01874 -0.10020 0.04279 161 2PY 0.00414 -0.11668 -0.03719 -0.13019 -0.01716 162 2PZ 0.04371 0.05935 -0.05897 -0.07383 -0.06377 163 3S -0.25878 0.82557 0.30442 0.11218 0.36426 164 3PX 0.03697 -0.33802 -0.15673 -0.05178 -0.24593 165 3PY -0.11326 0.20444 0.14587 0.09998 0.13450 166 3PZ -0.12549 -0.09407 0.17314 -0.12463 0.17442 167 4XX 0.13458 -0.00351 -0.09065 -0.21694 -0.11221 168 4YY 0.02504 -0.08769 -0.06098 0.01718 -0.00471 169 4ZZ -0.12141 -0.04397 0.11894 0.19820 0.08577 170 4XY 0.09776 0.02198 -0.15986 0.00479 -0.29769 171 4XZ 0.04801 0.06938 -0.03875 0.05659 -0.05802 172 4YZ -0.09316 0.01360 0.10202 0.01175 0.24750 173 22 O 1S 0.00837 -0.00358 -0.00122 0.01025 0.00640 174 2S 0.02690 0.40713 -0.09696 -0.16467 0.09712 175 2PX 0.02091 -0.12344 0.01879 -0.10019 -0.04278 176 2PY -0.00415 -0.11663 0.03723 0.13023 -0.01720 177 2PZ 0.04371 -0.05943 -0.05894 -0.07380 0.06379 178 3S -0.25914 -0.82560 0.30426 0.11214 -0.36443 179 3PX 0.03712 0.33803 -0.15675 -0.05180 0.24601 180 3PY 0.11332 0.20431 -0.14586 -0.09996 0.13456 181 3PZ -0.12545 0.09424 0.17311 -0.12463 -0.17439 182 4XX 0.13456 0.00334 -0.09064 -0.21690 0.11208 183 4YY 0.02508 0.08769 -0.06097 0.01717 0.00469 184 4ZZ -0.12139 0.04414 0.11892 0.19817 -0.08561 185 4XY -0.09774 0.02209 0.15985 -0.00482 -0.29768 186 4XZ 0.04802 -0.06938 -0.03865 0.05661 0.05801 187 4YZ 0.09319 0.01356 -0.10207 -0.01178 0.24753 188 23 H 1S 0.11022 -0.00003 -0.08836 0.37317 -0.00003 189 2S 0.14950 -0.00010 -0.26591 0.05092 -0.00002 151 152 153 154 155 V V V V V Eigenvalues -- 2.25489 2.26209 2.27979 2.29194 2.30952 1 1 C 1S 0.00530 -0.02236 0.00026 0.01261 -0.02777 2 2S 0.29578 -0.28936 -0.03841 0.17019 -0.54379 3 2PX 0.06242 0.02088 -0.01865 -0.03330 -0.11284 4 2PY 0.06912 0.02373 -0.03759 -0.04667 0.05112 5 2PZ 0.07945 -0.02838 0.01419 0.04477 -0.11648 6 3S -0.31929 3.01809 -0.05314 -1.29156 2.45301 7 3PX -0.23149 0.87861 -0.07185 -0.80789 1.07210 8 3PY -0.03430 1.00965 0.01042 -0.62408 0.85875 9 3PZ -0.03542 1.37563 -0.03873 -0.44001 0.91955 10 4XX -0.14099 -0.20832 -0.13503 -0.32792 0.16181 11 4YY -0.15643 0.06726 0.10503 -0.06410 -0.03631 12 4ZZ 0.28965 0.20343 0.00899 0.34040 -0.12938 13 4XY 0.02789 0.01951 0.03298 -0.34212 0.02180 14 4XZ -0.10427 0.02008 -0.02589 -0.00222 0.17996 15 4YZ -0.08161 -0.06007 -0.05730 0.30642 -0.22937 16 2 C 1S 0.00536 0.02235 0.00027 -0.01261 0.02772 17 2S 0.29664 0.28847 -0.03825 -0.17038 0.54313 18 2PX 0.06238 -0.02108 -0.01866 0.03325 0.11272 19 2PY -0.06908 0.02396 0.03767 -0.04655 0.05153 20 2PZ 0.07953 0.02816 0.01426 -0.04476 0.11661 21 3S -0.32760 -3.01743 -0.05407 1.29167 -2.45170 22 3PX -0.23399 -0.87803 -0.07276 0.80782 -1.07174 23 3PY 0.03701 1.00973 -0.00989 -0.62428 0.85872 24 3PZ -0.03918 -1.37537 -0.03905 0.43993 -0.91874 25 4XX -0.14048 0.20851 -0.13557 0.32757 -0.16302 26 4YY -0.15659 -0.06668 0.10495 0.06434 0.03708 27 4ZZ 0.28914 -0.20418 0.00957 -0.34033 0.12968 28 4XY -0.02783 0.01956 -0.03261 -0.34220 0.02171 29 4XZ -0.10434 -0.01992 -0.02586 0.00218 -0.17967 30 4YZ 0.08133 -0.06018 0.05696 0.30662 -0.22893 31 3 C 1S -0.00566 -0.02998 -0.00757 0.00582 -0.01777 32 2S -0.15938 -0.63302 -0.02542 0.15018 -0.21058 33 2PX -0.02943 -0.06864 0.00079 0.06031 -0.14270 34 2PY 0.01458 0.11305 -0.00629 0.00782 -0.01618 35 2PZ -0.04418 -0.04536 -0.00845 0.01432 -0.14961 36 3S 0.44213 2.75312 0.11659 -1.10800 1.61043 37 3PX 0.19153 -0.53781 0.00344 -0.18779 0.05115 38 3PY 0.15111 -1.82882 -0.18217 0.50932 -0.87244 39 3PZ -0.23876 0.43068 -0.01506 0.01478 0.25095 40 4XX -0.18986 0.06278 -0.12204 0.13250 -0.09731 41 4YY 0.33442 -0.21283 -0.07718 -0.03793 0.09349 42 4ZZ -0.11936 0.24620 0.19518 -0.14486 0.08947 43 4XY -0.27538 0.29489 0.03621 0.05677 -0.13897 44 4XZ 0.10711 -0.20840 -0.09805 0.04924 -0.20276 45 4YZ 0.11948 -0.14959 0.08323 -0.22434 -0.12023 46 4 C 1S -0.00897 0.04520 -0.00305 -0.00479 -0.00358 47 2S -0.01603 0.23804 -0.13687 -0.32464 -0.38953 48 2PX 0.04405 0.02992 -0.02818 -0.03935 -0.02858 49 2PY 0.02303 0.00242 -0.01277 0.05411 0.02504 50 2PZ -0.00936 0.12393 0.05873 0.04400 0.13823 51 3S 0.07529 -2.46516 0.15386 0.95145 0.09675 52 3PX -0.00240 0.42831 0.12884 0.40306 0.46810 53 3PY -0.03101 0.59325 0.02639 -0.00693 -0.10942 54 3PZ -0.13545 0.41338 -0.03941 -0.34834 0.10756 55 4XX 0.18262 -0.12513 -0.03216 0.22142 0.14652 56 4YY -0.02492 -0.09677 -0.04713 -0.13082 -0.09750 57 4ZZ -0.18451 0.22763 0.11101 -0.00527 0.02687 58 4XY 0.12658 0.41845 0.00478 -0.10469 0.03588 59 4XZ 0.45703 -0.18595 -0.21519 0.01857 -0.21816 60 4YZ -0.10120 -0.11213 0.04538 -0.03126 -0.12408 61 5 C 1S -0.00909 -0.04517 -0.00305 0.00479 0.00356 62 2S -0.01653 -0.23801 -0.13720 0.32455 0.39001 63 2PX 0.04399 -0.03001 -0.02823 0.03931 0.02855 64 2PY -0.02301 0.00253 0.01270 0.05416 0.02525 65 2PZ -0.00974 -0.12384 0.05881 -0.04392 -0.13826 66 3S 0.08172 2.46482 0.15443 -0.95135 -0.09685 67 3PX -0.00379 -0.42817 0.12952 -0.40282 -0.46788 68 3PY 0.03247 0.59326 -0.02650 -0.00702 -0.10941 69 3PZ -0.13662 -0.41287 -0.03973 0.34834 -0.10774 70 4XX 0.18292 0.12483 -0.03194 -0.22149 -0.14645 71 4YY -0.02466 0.09681 -0.04730 0.13074 0.09700 72 4ZZ -0.18511 -0.22727 0.11106 0.00545 -0.02659 73 4XY -0.12559 0.41860 -0.00471 -0.10471 0.03548 74 4XZ 0.45752 0.18477 -0.21521 -0.01894 0.21793 75 4YZ 0.10091 -0.11239 -0.04543 -0.03132 -0.12429 76 6 C 1S -0.00557 0.02998 -0.00758 -0.00583 0.01779 77 2S -0.15761 0.63333 -0.02541 -0.15015 0.21083 78 2PX -0.02922 0.06875 0.00086 -0.06028 0.14284 79 2PY -0.01427 0.11310 0.00626 0.00784 -0.01612 80 2PZ -0.04404 0.04551 -0.00839 -0.01431 0.14968 81 3S 0.43429 -2.75384 0.11583 1.10795 -1.61157 82 3PX 0.19290 0.53702 0.00310 0.18785 -0.05089 83 3PY -0.15604 -1.82821 0.18197 0.50955 -0.87311 84 3PZ -0.24003 -0.43038 -0.01486 -0.01468 -0.25119 85 4XX -0.18991 -0.06233 -0.12179 -0.13277 0.09625 86 4YY 0.33487 0.21188 -0.07731 0.03787 -0.09348 87 4ZZ -0.12002 -0.24575 0.19502 0.14517 -0.08846 88 4XY 0.27617 0.29409 -0.03635 0.05673 -0.13902 89 4XZ 0.10765 0.20809 -0.09804 -0.04947 0.20219 90 4YZ -0.11987 -0.14927 -0.08297 -0.22454 -0.12108 91 7 H 1S 0.03583 0.08575 0.01526 -0.16555 0.11656 92 2S -0.05382 0.44710 -0.03289 -0.25782 0.33555 93 8 H 1S 0.03559 -0.08576 0.01502 0.16559 -0.11658 94 2S -0.05502 -0.44698 -0.03314 0.25780 -0.33542 95 9 H 1S -0.24457 0.21707 0.06777 -0.00607 -0.01333 96 2S -0.09965 0.41317 0.06056 -0.08703 0.18092 97 10 H 1S -0.26110 0.06734 0.06015 -0.20437 -0.07164 98 2S 0.12448 -0.01797 -0.17056 -0.13581 -0.21274 99 11 H 1S -0.26122 -0.06679 0.05991 0.20445 0.07141 100 2S 0.12462 0.01766 -0.17077 0.13560 0.21283 101 12 H 1S -0.24503 -0.21636 0.06785 0.00621 0.01343 102 2S -0.10078 -0.41291 0.06053 0.08712 -0.18121 103 13 H 1S 0.26763 -0.19129 -0.11801 0.03167 0.08327 104 2S -0.02709 -0.06581 0.08288 -0.08525 -0.11620 105 14 H 1S 0.26811 0.19064 -0.11799 -0.03186 -0.08333 106 2S -0.02685 0.06592 0.08273 0.08539 0.11646 107 15 C 1S 0.00916 -0.00585 0.01446 -0.00437 -0.03590 108 2S 0.06282 -0.06666 0.41288 -0.33253 -0.81788 109 2PX 0.03253 0.02036 0.01626 -0.05086 -0.11574 110 2PY -0.01061 -0.02194 0.15945 0.00257 0.05834 111 2PZ 0.00223 0.04094 0.03551 -0.10883 -0.22815 112 3S -0.24707 0.57974 -0.42833 0.88539 3.33602 113 3PX -0.02469 -0.12354 -0.08129 0.32876 0.96788 114 3PY 0.10573 0.24275 -0.23470 0.65589 1.54090 115 3PZ -0.16602 0.03313 -0.40246 0.37836 1.83959 116 4XX 0.08648 0.02552 0.32983 0.17219 0.14942 117 4YY 0.02597 -0.01458 -0.20868 -0.01950 0.02525 118 4ZZ -0.10207 0.01329 -0.14980 -0.10858 -0.07792 119 4XY -0.03457 -0.03333 -0.04773 -0.01959 0.00098 120 4XZ 0.00375 -0.14637 -0.16204 0.20570 0.20430 121 4YZ 0.08997 0.07192 0.14660 0.02121 -0.06557 122 16 C 1S 0.00919 0.00584 0.01445 0.00437 0.03588 123 2S 0.06324 0.06666 0.41236 0.33297 0.81766 124 2PX 0.03254 -0.02044 0.01621 0.05088 0.11574 125 2PY 0.01056 -0.02201 -0.15947 0.00240 0.05841 126 2PZ 0.00220 -0.04093 0.03534 0.10887 0.22818 127 3S -0.24957 -0.57928 -0.42657 -0.88574 -3.33558 128 3PX -0.02466 0.12362 -0.08071 -0.32879 -0.96759 129 3PY -0.10463 0.24316 0.23367 0.65618 1.54108 130 3PZ -0.16669 -0.03278 -0.40177 -0.37859 -1.83893 131 4XX 0.08636 -0.02571 0.33006 -0.17184 -0.14977 132 4YY 0.02605 0.01444 -0.20863 0.01924 -0.02513 133 4ZZ -0.10209 -0.01301 -0.14999 0.10843 0.07814 134 4XY 0.03443 -0.03346 0.04773 -0.01950 0.00103 135 4XZ 0.00401 0.14638 -0.16180 -0.20585 -0.20405 136 4YZ -0.08970 0.07214 -0.14655 0.02103 -0.06547 137 17 C 1S -0.00309 0.00000 -0.01733 -0.00001 0.00000 138 2S -0.02667 0.00001 -0.22517 -0.00007 0.00024 139 2PX -0.01467 0.00001 -0.00261 -0.00002 -0.00007 140 2PY -0.00003 -0.02985 0.00000 0.02848 -0.00318 141 2PZ -0.00716 0.00000 -0.00543 -0.00001 -0.00004 142 3S 0.14894 -0.00009 0.59226 0.00026 -0.00027 143 3PX -0.09987 0.00012 -0.38668 -0.00013 0.00031 144 3PY 0.00000 0.00444 0.00006 -0.05826 -0.00047 145 3PZ 0.03641 -0.00011 -0.23899 -0.00012 0.00001 146 4XX 0.05885 -0.00011 0.22140 0.00012 -0.00021 147 4YY 0.02504 -0.00003 0.17267 0.00007 -0.00009 148 4ZZ -0.08658 0.00013 -0.39400 -0.00019 0.00025 149 4XY -0.00021 -0.12287 -0.00002 -0.11997 0.17981 150 4XZ 0.07870 -0.00006 0.33314 0.00014 -0.00009 151 4YZ 0.00021 0.11200 -0.00001 0.20543 -0.11474 152 18 H 1S -0.00904 0.01755 -0.00116 -0.06395 -0.22715 153 2S -0.01773 0.05219 -0.15338 -0.23159 -0.60842 154 19 H 1S 0.04285 -0.00004 0.21645 0.00013 -0.00011 155 2S -0.10818 0.00013 -0.07880 -0.00004 0.00010 156 20 H 1S -0.00906 -0.01754 -0.00128 0.06392 0.22711 157 2S -0.01765 -0.05217 -0.15370 0.23149 0.60859 158 21 O 1S -0.00067 -0.00383 0.01178 0.01387 0.02467 159 2S -0.02153 0.11108 -0.11436 -0.16139 0.08540 160 2PX -0.01407 -0.03730 0.00225 0.11127 0.07197 161 2PY -0.00739 0.03277 -0.05175 -0.05843 -0.06709 162 2PZ 0.00957 -0.02412 -0.05037 0.03607 0.09263 163 3S 0.11226 -0.14793 0.07797 -0.08806 -1.26632 164 3PX -0.04702 0.03945 -0.20889 -0.15685 0.32668 165 3PY -0.01706 -0.08049 -0.02023 -0.01631 -0.15824 166 3PZ -0.04900 0.03902 0.01852 0.01349 -0.02171 167 4XX 0.15624 -0.05829 0.44467 0.03026 0.07568 168 4YY -0.03049 0.00523 -0.04890 -0.04237 0.07280 169 4ZZ -0.13801 0.06486 -0.35875 0.02527 -0.06354 170 4XY 0.02970 -0.06685 0.10002 -0.11031 0.03974 171 4XZ -0.03570 -0.02336 -0.13995 0.11867 0.32509 172 4YZ 0.01279 0.07510 -0.01361 0.13112 -0.08697 173 22 O 1S -0.00067 0.00383 0.01180 -0.01386 -0.02466 174 2S -0.02178 -0.11106 -0.11449 0.16130 -0.08514 175 2PX -0.01402 0.03736 0.00238 -0.11125 -0.07194 176 2PY 0.00744 0.03276 0.05183 -0.05837 -0.06712 177 2PZ 0.00961 0.02408 -0.05030 -0.03613 -0.09261 178 3S 0.11296 0.14764 0.07757 0.08805 1.26573 179 3PX -0.04714 -0.03943 -0.20898 0.15663 -0.32652 180 3PY 0.01684 -0.08052 0.02031 -0.01625 -0.15808 181 3PZ -0.04912 -0.03887 0.01853 -0.01343 0.02183 182 4XX 0.15641 0.05794 0.44476 -0.02980 -0.07611 183 4YY -0.03051 -0.00519 -0.04891 0.04228 -0.07281 184 4ZZ -0.13822 -0.06450 -0.35879 -0.02559 0.06404 185 4XY -0.02993 -0.06675 -0.09992 -0.11039 0.04004 186 4XZ -0.03576 0.02341 -0.13984 -0.11886 -0.32502 187 4YZ -0.01253 0.07510 0.01358 0.13114 -0.08712 188 23 H 1S 0.00459 0.00001 -0.01894 -0.00003 0.00004 189 2S 0.02731 -0.00006 0.07709 0.00002 -0.00013 156 157 158 159 160 V V V V V Eigenvalues -- 2.31851 2.37118 2.40149 2.43436 2.44804 1 1 C 1S 0.01654 0.00559 0.00279 -0.03285 0.01143 2 2S 0.20302 0.04860 0.02201 -0.20627 0.07340 3 2PX 0.04255 -0.07413 0.03293 -0.12596 0.00418 4 2PY 0.14736 0.04612 -0.07468 0.16084 -0.02592 5 2PZ -0.05295 -0.04201 0.00971 -0.08321 0.00894 6 3S -0.48357 -1.15373 -0.53235 -0.60589 -0.42813 7 3PX -0.10787 -0.29309 -0.32116 -0.39638 -0.15382 8 3PY -0.08515 -0.70974 -0.16998 0.16539 0.10113 9 3PZ -0.24406 -0.28102 -0.35987 -0.42475 -0.10789 10 4XX 0.43997 -0.02139 -0.22369 -0.14439 -0.07954 11 4YY -0.22138 -0.03279 -0.03921 0.25317 0.08730 12 4ZZ -0.16268 -0.02004 0.27732 -0.13148 -0.01168 13 4XY -0.06895 -0.17710 0.44815 -0.15886 -0.02525 14 4XZ -0.12263 0.08319 0.11305 0.29276 -0.14701 15 4YZ 0.15328 -0.04226 -0.19959 0.12966 -0.06974 16 2 C 1S 0.01661 -0.00561 -0.00280 0.03281 0.01142 17 2S 0.20442 -0.04862 -0.02209 0.20621 0.07323 18 2PX 0.04281 0.07415 -0.03298 0.12603 0.00408 19 2PY -0.14728 0.04610 -0.07467 0.16076 0.02583 20 2PZ -0.05269 0.04202 -0.00972 0.08326 0.00888 21 3S -0.49016 1.15408 0.53263 0.60727 -0.42854 22 3PX -0.11052 0.29320 0.32121 0.39691 -0.15404 23 3PY 0.08748 -0.70980 -0.17002 0.16566 -0.10120 24 3PZ -0.24649 0.28105 0.35991 0.42514 -0.10811 25 4XX 0.43976 0.02136 0.22360 0.14455 -0.07958 26 4YY -0.22119 0.03276 0.03923 -0.25347 0.08739 27 4ZZ -0.16266 0.02007 -0.27728 0.13160 -0.01172 28 4XY 0.06902 -0.17711 0.44804 -0.15890 0.02542 29 4XZ -0.12312 -0.08309 -0.11289 -0.29217 -0.14687 30 4YZ -0.15390 -0.04228 -0.19954 0.12947 0.06969 31 3 C 1S -0.01286 0.00981 -0.01348 0.05970 -0.02181 32 2S -0.11721 0.49794 0.39281 1.20439 -0.07069 33 2PX -0.04380 0.06013 0.08590 -0.02538 0.00566 34 2PY 0.03137 -0.14152 -0.11419 -0.20239 -0.02958 35 2PZ -0.01834 0.05721 0.20374 -0.13361 0.04836 36 3S 0.57294 -0.59626 -0.54925 -3.64856 0.74242 37 3PX -0.12494 -0.09667 -0.11149 -0.00970 -0.10962 38 3PY -0.33455 0.76917 0.42730 1.91433 -0.19196 39 3PZ 0.10603 0.00653 0.15163 -0.47519 0.09063 40 4XX 0.39076 -0.17617 0.12068 -0.05138 -0.24892 41 4YY -0.00074 0.20303 -0.13980 -0.05728 0.20938 42 4ZZ -0.38180 -0.08512 -0.12881 -0.08253 0.04087 43 4XY 0.03369 -0.06831 0.11106 0.02375 0.08476 44 4XZ 0.19097 0.00721 0.08932 -0.23909 0.05619 45 4YZ -0.31927 -0.21498 -0.07693 0.14063 -0.09794 46 4 C 1S 0.00910 0.03634 0.01027 -0.08728 0.01616 47 2S -0.14301 0.30696 0.04590 -0.54278 0.09189 48 2PX 0.00440 0.07041 -0.01121 0.00267 0.01810 49 2PY 0.05604 0.08803 0.06837 -0.06168 -0.01319 50 2PZ 0.02286 -0.08779 -0.01357 -0.13761 0.05311 51 3S -0.08318 -0.74610 -0.00632 4.01456 -0.49901 52 3PX -0.06682 -0.12547 0.20008 -0.77258 0.05951 53 3PY -0.01942 0.46716 -0.08421 -0.99674 -0.07591 54 3PZ 0.13299 0.51248 0.12156 -1.13583 0.18357 55 4XX 0.00227 0.41687 0.31110 -0.37312 0.08901 56 4YY 0.18366 -0.17458 -0.12117 0.21770 0.05159 57 4ZZ -0.13462 -0.23396 -0.15816 0.14917 -0.13690 58 4XY -0.13960 0.32185 0.11035 0.11723 0.03302 59 4XZ 0.02809 0.05840 -0.08436 -0.01615 -0.14417 60 4YZ -0.06209 -0.28830 0.41412 0.14904 0.03337 61 5 C 1S 0.00908 -0.03635 -0.01028 0.08724 0.01610 62 2S -0.14205 -0.30699 -0.04596 0.54247 0.09148 63 2PX 0.00448 -0.07043 0.01120 -0.00277 0.01810 64 2PY -0.05591 0.08800 0.06837 -0.06179 0.01320 65 2PZ 0.02243 0.08777 0.01357 0.13749 0.05304 66 3S -0.08238 0.74651 0.00665 -4.01325 -0.49647 67 3PX -0.06844 0.12542 -0.20003 0.77259 0.05916 68 3PY 0.01946 0.46720 -0.08422 -0.99707 0.07649 69 3PZ 0.13238 -0.51263 -0.12182 1.13463 0.18283 70 4XX 0.00163 -0.41693 -0.31117 0.37284 0.08879 71 4YY 0.18407 0.17458 0.12095 -0.21789 0.05170 72 4ZZ -0.13464 0.23399 0.15846 -0.14869 -0.13678 73 4XY 0.13984 0.32191 0.11029 0.11713 -0.03307 74 4XZ 0.02883 -0.05822 0.08450 0.01673 -0.14421 75 4YZ 0.06184 -0.28831 0.41411 0.14925 -0.03339 76 6 C 1S -0.01279 -0.00979 0.01350 -0.05959 -0.02177 77 2S -0.11652 -0.49776 -0.39268 -1.20409 -0.07000 78 2PX -0.04348 -0.06015 -0.08593 0.02537 0.00566 79 2PY -0.03139 -0.14151 -0.11415 -0.20257 0.02969 80 2PZ -0.01806 -0.05725 -0.20381 0.13346 0.04827 81 3S 0.56808 0.59535 0.54853 3.64545 0.74024 82 3PX -0.12487 0.09669 0.11148 0.01004 -0.10957 83 3PY 0.33180 0.76877 0.42720 1.91354 0.19082 84 3PZ 0.10509 -0.00651 -0.15166 0.47525 0.09040 85 4XX 0.39091 0.17617 -0.12070 0.05206 -0.24898 86 4YY -0.00097 -0.20298 0.13959 0.05662 0.20934 87 4ZZ -0.38192 0.08506 0.12904 0.08257 0.04086 88 4XY -0.03404 -0.06831 0.11112 0.02408 -0.08469 89 4XZ 0.19151 -0.00726 -0.08944 0.23883 0.05601 90 4YZ 0.31880 -0.21509 -0.07715 0.14025 0.09790 91 7 H 1S 0.02371 -0.00506 -0.18314 -0.13596 0.10927 92 2S -0.04862 -0.19339 -0.09154 -0.02036 -0.03243 93 8 H 1S 0.02348 0.00498 0.18303 0.13559 0.10922 94 2S -0.04947 0.19345 0.09155 0.02048 -0.03243 95 9 H 1S -0.02984 -0.21468 0.02764 -0.01673 -0.15371 96 2S 0.11546 -0.17114 -0.11848 -0.36964 0.05371 97 10 H 1S 0.09794 -0.23933 -0.21538 -0.05940 -0.02891 98 2S -0.04184 0.08093 0.02143 0.20941 0.13099 99 11 H 1S 0.09825 0.23933 0.21532 0.05924 -0.02898 100 2S -0.04119 -0.08092 -0.02143 -0.20926 0.13109 101 12 H 1S -0.02989 0.21470 -0.02745 0.01730 -0.15371 102 2S 0.11490 0.17106 0.11844 0.36947 0.05349 103 13 H 1S -0.00827 -0.12734 0.10389 0.23193 -0.01544 104 2S -0.08666 0.28069 -0.05992 0.08836 0.02032 105 14 H 1S -0.00850 0.12736 -0.10384 -0.23165 -0.01531 106 2S -0.08631 -0.28068 0.05998 -0.08823 0.02035 107 15 C 1S 0.00616 0.02959 0.01474 0.03477 0.00267 108 2S 0.10937 0.67421 0.06292 0.35771 -0.06110 109 2PX -0.00166 0.02426 -0.06266 0.00327 -0.01816 110 2PY 0.04706 -0.04966 -0.03673 -0.07579 0.00736 111 2PZ -0.00458 0.14796 -0.03054 0.01446 -0.01500 112 3S -0.18147 -2.73205 -0.64431 -1.87076 -0.02006 113 3PX -0.07447 -0.45863 0.12455 0.26806 -0.16577 114 3PY -0.06370 -1.25567 -0.13898 -0.59292 -0.04483 115 3PZ -0.14620 -1.20163 -0.05267 -0.40911 0.02871 116 4XX 0.09645 -0.22706 -0.02331 0.08724 -0.28113 117 4YY -0.05327 -0.02310 -0.04607 -0.07944 0.03272 118 4ZZ -0.04823 0.14144 0.06407 -0.03155 0.27042 119 4XY -0.01200 -0.07946 -0.09017 -0.17189 0.04726 120 4XZ -0.06978 -0.02417 0.06026 0.10260 0.02002 121 4YZ 0.05555 0.06443 0.06184 0.15497 0.00578 122 16 C 1S 0.00625 -0.02959 -0.01475 -0.03479 0.00268 123 2S 0.11172 -0.67438 -0.06291 -0.35758 -0.06103 124 2PX -0.00131 -0.02428 0.06266 -0.00337 -0.01816 125 2PY -0.04690 -0.04962 -0.03674 -0.07581 -0.00735 126 2PZ -0.00392 -0.14799 0.03055 -0.01442 -0.01504 127 3S -0.19091 2.73231 0.64446 1.87093 -0.02041 128 3PX -0.07724 0.45855 -0.12455 -0.26821 -0.16540 129 3PY 0.06828 -1.25589 -0.13896 -0.59293 0.04473 130 3PZ -0.15143 1.20152 0.05266 0.40905 0.02884 131 4XX 0.09595 0.22706 0.02335 -0.08750 -0.28109 132 4YY -0.05330 0.02312 0.04602 0.07932 0.03272 133 4ZZ -0.04800 -0.14145 -0.06408 0.03181 0.27039 134 4XY 0.01202 -0.07951 -0.09017 -0.17194 -0.04727 135 4XZ -0.07035 0.02409 -0.06027 -0.10260 0.02011 136 4YZ -0.05572 0.06452 0.06186 0.15494 -0.00583 137 17 C 1S -0.00227 0.00000 0.00000 0.00000 0.00399 138 2S -0.17391 0.00002 0.00006 0.00019 -0.01073 139 2PX 0.05150 0.00000 -0.00003 -0.00007 0.02967 140 2PY 0.00000 0.00364 0.01965 -0.01621 0.00000 141 2PZ 0.02224 0.00001 -0.00001 -0.00005 -0.00176 142 3S 0.19883 -0.00011 0.00001 -0.00008 -0.14547 143 3PX -0.24644 0.00007 0.00006 0.00020 0.04857 144 3PY 0.00000 0.03430 -0.01714 -0.10853 0.00001 145 3PZ 0.02413 0.00000 -0.00004 0.00003 0.23824 146 4XX 0.14746 0.00002 0.00004 0.00057 0.64723 147 4YY 0.08159 -0.00001 0.00001 0.00000 0.01946 148 4ZZ -0.19874 -0.00002 -0.00006 -0.00062 -0.64863 149 4XY 0.00024 0.06841 0.09064 0.15314 -0.00002 150 4XZ 0.06358 -0.00002 0.00002 0.00000 -0.10465 151 4YZ -0.00013 -0.12398 -0.08206 -0.03679 0.00005 152 18 H 1S -0.01207 0.15678 -0.01272 -0.00701 -0.11113 153 2S -0.03688 0.40350 -0.02554 0.00621 0.03435 154 19 H 1S 0.07228 0.00001 0.00004 0.00035 0.33431 155 2S -0.08975 0.00003 0.00001 -0.00016 -0.28934 156 20 H 1S -0.01138 -0.15671 0.01274 0.00692 -0.11119 157 2S -0.03510 -0.40356 0.02550 -0.00624 0.03418 158 21 O 1S -0.00064 -0.01629 -0.00069 0.01016 -0.01356 159 2S -0.09031 -0.07075 -0.09535 -0.11038 -0.05315 160 2PX -0.00595 -0.05279 0.02072 0.05445 -0.04968 161 2PY -0.02235 0.02581 -0.02709 -0.03275 -0.00404 162 2PZ -0.01226 -0.02569 0.02204 -0.01989 0.03778 163 3S 0.17725 0.84483 0.19616 0.22155 0.33833 164 3PX -0.06531 -0.13213 -0.06449 -0.21255 0.13826 165 3PY 0.04546 0.16194 0.07940 0.05656 0.15497 166 3PZ -0.04352 -0.05416 -0.06395 0.05555 -0.23276 167 4XX 0.15000 -0.03322 0.03737 0.22019 -0.18504 168 4YY 0.01126 -0.01461 0.00467 -0.03532 0.04233 169 4ZZ -0.17855 -0.02749 -0.06708 -0.15259 0.07362 170 4XY 0.08722 0.09227 0.03304 0.02692 0.24486 171 4XZ -0.02503 -0.17219 0.04469 -0.16070 0.10054 172 4YZ -0.04793 -0.10953 -0.07853 -0.03291 -0.35550 173 22 O 1S -0.00070 0.01628 0.00069 -0.01017 -0.01355 174 2S -0.09053 0.07075 0.09540 0.11044 -0.05319 175 2PX -0.00616 0.05278 -0.02072 -0.05450 -0.04964 176 2PY 0.02217 0.02580 -0.02710 -0.03278 0.00405 177 2PZ -0.01253 0.02571 -0.02204 0.01995 0.03778 178 3S 0.18075 -0.84473 -0.19628 -0.22141 0.33822 179 3PX -0.06617 0.13220 0.06449 0.21267 0.13817 180 3PY -0.04593 0.16187 0.07944 0.05655 -0.15490 181 3PZ -0.04342 0.05416 0.06398 -0.05583 -0.23274 182 4XX 0.14975 0.03317 -0.03733 -0.22028 -0.18496 183 4YY 0.01108 0.01465 -0.00468 0.03528 0.04221 184 4ZZ -0.17834 0.02748 0.06706 0.15266 0.07370 185 4XY -0.08712 0.09223 0.03303 0.02653 -0.24488 186 4XZ -0.02602 0.17226 -0.04471 0.16078 0.10050 187 4YZ 0.04776 -0.10950 -0.07851 -0.03234 0.35547 188 23 H 1S -0.02679 -0.00002 -0.00003 -0.00033 -0.34882 189 2S 0.11113 -0.00001 -0.00003 0.00004 0.17210 161 162 163 164 165 V V V V V Eigenvalues -- 2.45142 2.48406 2.52227 2.54540 2.59887 1 1 C 1S 0.02268 0.00316 0.00731 0.00400 0.00821 2 2S 0.09642 -0.06931 0.30695 0.10915 0.07337 3 2PX -0.01355 -0.02447 0.06986 0.07497 -0.03984 4 2PY -0.00949 0.00229 -0.00282 -0.03052 0.07359 5 2PZ -0.00582 -0.00905 0.05347 0.03737 -0.03020 6 3S -0.80330 -0.16786 -0.41272 0.71762 -0.26777 7 3PX -0.29821 -0.11887 -0.28559 0.31705 -0.12910 8 3PY 0.16719 0.05145 -0.02266 -0.10388 -0.01903 9 3PZ -0.26025 -0.17668 -0.13660 0.37542 -0.06731 10 4XX -0.06712 0.00694 -0.09903 0.04650 -0.02794 11 4YY 0.12705 -0.01310 0.00149 -0.04106 -0.06575 12 4ZZ -0.05657 0.02217 0.01861 -0.00882 0.08424 13 4XY -0.02837 0.08751 -0.08465 0.05401 0.08145 14 4XZ -0.32061 -0.02691 -0.11459 -0.08600 -0.00747 15 4YZ -0.07942 -0.10164 0.01057 0.01105 0.03900 16 2 C 1S 0.02276 -0.00316 -0.00731 -0.00400 0.00819 17 2S 0.09682 0.06931 -0.30699 -0.10923 0.07332 18 2PX -0.01334 0.02445 -0.06986 -0.07499 -0.03983 19 2PY 0.00981 0.00228 -0.00278 -0.03051 -0.07361 20 2PZ -0.00568 0.00904 -0.05345 -0.03739 -0.03020 21 3S -0.80211 0.16781 0.41286 -0.71750 -0.26722 22 3PX -0.29736 0.11885 0.28565 -0.31703 -0.12897 23 3PY -0.16689 0.05140 -0.02271 -0.10378 0.01892 24 3PZ -0.25927 0.17668 0.13665 -0.37537 -0.06717 25 4XX -0.06677 -0.00699 0.09900 -0.04648 -0.02801 26 4YY 0.12647 0.01313 -0.00148 0.04105 -0.06565 27 4ZZ -0.05629 -0.02216 -0.01858 0.00884 0.08420 28 4XY 0.02830 0.08748 -0.08466 0.05401 -0.08148 29 4XZ -0.32132 0.02692 0.11461 0.08603 -0.00734 30 4YZ 0.07969 -0.10164 0.01059 0.01103 -0.03904 31 3 C 1S -0.05683 0.01408 -0.02277 -0.01262 -0.00749 32 2S -0.15090 0.27708 -0.29549 -0.67705 -0.02003 33 2PX -0.01064 0.03307 0.00375 0.00826 -0.03726 34 2PY -0.07992 -0.03917 0.06402 0.15938 -0.00587 35 2PZ 0.07234 0.04802 0.08615 -0.03352 -0.02229 36 3S 1.68699 -0.51926 0.92465 1.33314 0.15532 37 3PX -0.09853 -0.08487 0.32158 -0.36643 -0.06637 38 3PY -0.42694 0.12737 -0.48701 -0.98519 -0.15572 39 3PZ 0.16959 0.24184 0.24929 -0.14849 -0.07554 40 4XX -0.37722 -0.05335 -0.01657 0.11727 0.03213 41 4YY 0.36738 0.02821 0.03795 -0.00356 -0.18671 42 4ZZ -0.02280 -0.01895 -0.00731 0.07049 0.15726 43 4XY 0.17819 -0.01726 0.06986 -0.04212 -0.02861 44 4XZ 0.17521 0.02675 0.10175 0.03913 0.09875 45 4YZ -0.21401 -0.08791 -0.12822 0.10902 0.05441 46 4 C 1S 0.02645 0.01998 0.05253 -0.00476 0.00354 47 2S 0.16740 0.23776 0.42367 -0.09460 -0.24066 48 2PX 0.05147 0.01961 0.03158 -0.04952 -0.03305 49 2PY -0.04581 0.03118 0.05661 -0.04507 0.03157 50 2PZ 0.07026 -0.02881 -0.01278 0.09530 0.10858 51 3S -0.78581 -0.74727 -2.12516 -0.32670 0.06817 52 3PX 0.02779 -0.09981 -0.48456 0.90797 0.19662 53 3PY -0.07166 0.27901 0.64327 0.11233 -0.08512 54 3PZ 0.54477 0.24632 0.90280 -0.32731 -0.21691 55 4XX 0.16250 0.09308 0.01380 0.04834 0.08426 56 4YY 0.09063 -0.09085 -0.18748 0.10934 0.01263 57 4ZZ -0.25691 -0.03806 0.15177 -0.14354 -0.00201 58 4XY -0.03613 0.02005 -0.32908 0.16373 0.06084 59 4XZ -0.31757 -0.09043 -0.41032 0.42638 0.02395 60 4YZ 0.10929 -0.03785 -0.06761 -0.10374 0.03729 61 5 C 1S 0.02662 -0.01998 -0.05253 0.00476 0.00355 62 2S 0.16839 -0.23777 -0.42368 0.09461 -0.24055 63 2PX 0.05146 -0.01962 -0.03156 0.04952 -0.03301 64 2PY 0.04568 0.03119 0.05661 -0.04506 -0.03159 65 2PZ 0.07057 0.02881 0.01278 -0.09534 0.10856 66 3S -0.79384 0.74731 2.12525 0.32683 0.06791 67 3PX 0.02938 0.09985 0.48450 -0.90800 0.19635 68 3PY 0.06954 0.27903 0.64338 0.11228 0.08512 69 3PZ 0.54698 -0.24632 -0.90272 0.32733 -0.21675 70 4XX 0.16305 -0.09307 -0.01378 -0.04841 0.08424 71 4YY 0.09021 0.09083 0.18753 -0.10935 0.01266 72 4ZZ -0.25702 0.03806 -0.15184 0.14361 -0.00204 73 4XY 0.03650 0.02003 -0.32912 0.16378 -0.06086 74 4XZ -0.31767 0.09046 0.41025 -0.42629 0.02388 75 4YZ -0.10883 -0.03784 -0.06755 -0.10376 -0.03727 76 6 C 1S -0.05694 -0.01408 0.02278 0.01263 -0.00750 77 2S -0.15356 -0.27710 0.29547 0.67708 -0.01995 78 2PX -0.01060 -0.03311 -0.00373 -0.00824 -0.03730 79 2PY 0.07943 -0.03916 0.06403 0.15937 0.00593 80 2PZ 0.07256 -0.04804 -0.08611 0.03352 -0.02230 81 3S 1.69452 0.51921 -0.92477 -1.33333 0.15558 82 3PX -0.09827 0.08485 -0.32158 0.36636 -0.06639 83 3PY 0.43102 0.12743 -0.48702 -0.98526 0.15569 84 3PZ 0.17061 -0.24183 -0.24940 0.14825 -0.07555 85 4XX -0.37712 0.05332 0.01654 -0.11718 0.03208 86 4YY 0.36745 -0.02820 -0.03792 0.00347 -0.18665 87 4ZZ -0.02247 0.01898 0.00732 -0.07049 0.15720 88 4XY -0.17802 -0.01724 0.06989 -0.04210 0.02850 89 4XZ 0.17553 -0.02676 -0.10179 -0.03916 0.09881 90 4YZ 0.21434 -0.08799 -0.12822 0.10899 -0.05448 91 7 H 1S 0.19095 0.00536 0.05257 0.03162 -0.03707 92 2S -0.08737 -0.06933 -0.08891 0.07031 -0.00646 93 8 H 1S 0.19135 -0.00537 -0.05258 -0.03164 -0.03714 94 2S -0.08728 0.06933 0.08893 -0.07030 -0.00640 95 9 H 1S -0.32151 0.03196 -0.05167 0.09862 0.11054 96 2S 0.12298 -0.03061 0.11461 0.25499 0.02792 97 10 H 1S 0.07898 0.01603 0.46458 -0.31639 -0.11708 98 2S -0.05333 0.09430 -0.07190 -0.10234 0.06660 99 11 H 1S 0.07924 -0.01604 -0.46457 0.31639 -0.11702 100 2S -0.05384 -0.09432 0.07188 0.10235 0.06670 101 12 H 1S -0.32143 -0.03193 0.05167 -0.09857 0.11047 102 2S 0.12379 0.03059 -0.11462 -0.25500 0.02789 103 13 H 1S -0.13316 0.02093 0.28869 -0.42918 0.03839 104 2S -0.05997 0.07884 0.13405 -0.20596 0.15166 105 14 H 1S -0.13358 -0.02092 -0.28871 0.42919 0.03843 106 2S -0.06019 -0.07882 -0.13408 0.20594 0.15174 107 15 C 1S 0.00847 -0.01126 0.00397 -0.01698 0.03373 108 2S -0.12528 0.51031 0.11142 -0.54543 0.01604 109 2PX 0.03130 0.09574 0.00972 -0.06929 -0.22946 110 2PY -0.02408 0.16253 -0.01947 -0.01110 0.15523 111 2PZ -0.03403 0.09475 0.07575 -0.10289 -0.09643 112 3S -0.05148 -0.01825 -0.83709 1.62151 -0.72213 113 3PX 0.02280 0.66300 -0.75517 -0.05574 -0.40319 114 3PY 0.07843 0.40180 -0.74016 0.67647 -0.21182 115 3PZ 0.01253 -0.27171 -0.74718 0.52588 -0.53816 116 4XX 0.10082 0.29375 0.01487 0.30045 -0.09032 117 4YY 0.04530 0.23432 -0.00393 -0.03087 0.09034 118 4ZZ -0.07404 -0.62801 -0.04070 -0.17396 0.03606 119 4XY -0.03091 0.29746 -0.31630 -0.32438 -0.04148 120 4XZ -0.03636 -0.02300 -0.13612 -0.14575 -0.39502 121 4YZ -0.02667 -0.11490 0.23714 0.26341 0.00607 122 16 C 1S 0.00839 0.01126 -0.00396 0.01697 0.03374 123 2S -0.12627 -0.51020 -0.11137 0.54545 0.01625 124 2PX 0.03132 -0.09571 -0.00971 0.06935 -0.22946 125 2PY 0.02391 0.16252 -0.01945 -0.01109 -0.15514 126 2PZ -0.03410 -0.09470 -0.07576 0.10291 -0.09641 127 3S -0.04679 0.01832 0.83700 -1.62142 -0.72297 128 3PX 0.02217 -0.66306 0.75519 0.05586 -0.40325 129 3PY -0.07995 0.40187 -0.74028 0.67657 0.21239 130 3PZ 0.01367 0.27175 0.74702 -0.52570 -0.53841 131 4XX 0.10066 -0.29378 -0.01480 -0.30042 -0.09034 132 4YY 0.04547 -0.23432 0.00386 0.03078 0.09024 133 4ZZ -0.07396 0.62803 0.04068 0.17402 0.03612 134 4XY 0.03053 0.29748 -0.31633 -0.32439 0.04157 135 4XZ -0.03661 0.02306 0.13606 0.14578 -0.39501 136 4YZ 0.02708 -0.11514 0.23716 0.26339 -0.00594 137 17 C 1S 0.01008 0.00000 0.00000 -0.00001 0.07432 138 2S -0.17424 0.00000 -0.00005 0.00005 -0.43883 139 2PX 0.08401 -0.00001 0.00000 -0.00004 0.37915 140 2PY -0.00003 -0.08050 0.00677 0.02815 -0.00002 141 2PZ 0.05888 -0.00002 0.00000 -0.00003 0.41691 142 3S -0.06424 0.00008 0.00013 0.00017 -2.14716 143 3PX -0.10970 -0.00004 -0.00007 -0.00003 0.79034 144 3PY -0.00012 -0.05014 0.12110 0.02715 -0.00002 145 3PZ 0.03790 -0.00002 -0.00003 -0.00004 0.57001 146 4XX -0.36450 0.00002 -0.00005 -0.00002 0.10329 147 4YY 0.01301 -0.00001 0.00006 0.00004 0.02710 148 4ZZ 0.41193 -0.00001 0.00000 -0.00004 0.04206 149 4XY 0.00019 0.03673 0.16064 0.09174 0.00003 150 4XZ -0.04282 0.00003 0.00003 0.00004 -0.56724 151 4YZ -0.00010 0.00415 -0.31411 -0.17768 -0.00003 152 18 H 1S 0.05277 -0.23433 0.20491 -0.01228 0.01938 153 2S 0.02936 -0.00314 0.36688 -0.13920 -0.19935 154 19 H 1S -0.23063 0.00000 -0.00004 0.00000 0.09796 155 2S 0.09232 -0.00001 0.00002 -0.00001 0.06393 156 20 H 1S 0.05276 0.23422 -0.20486 0.01229 0.01938 157 2S 0.02927 0.00316 -0.36692 0.13921 -0.19922 158 21 O 1S 0.00129 0.00299 -0.02143 0.00519 -0.06143 159 2S -0.08162 0.21693 -0.01893 -0.11440 -0.92386 160 2PX 0.02026 0.00669 -0.06431 0.05065 -0.01497 161 2PY -0.01424 0.08672 0.00858 -0.02705 -0.08663 162 2PZ -0.02184 -0.05662 0.02610 0.01069 -0.02237 163 3S 0.11858 -0.43891 0.63173 -0.06557 3.05685 164 3PX -0.05032 -0.10927 0.04501 -0.01807 -0.25861 165 3PY 0.05277 -0.32720 0.19753 0.05726 1.28064 166 3PZ 0.09360 0.24637 -0.10332 0.03728 -0.01298 167 4XX 0.02359 0.38473 0.11879 0.26107 -0.22184 168 4YY 0.04379 -0.12824 0.07760 0.08044 0.37430 169 4ZZ -0.05983 -0.21926 -0.31319 -0.30772 -0.42552 170 4XY -0.10958 0.02721 0.05747 -0.04566 -0.09069 171 4XZ -0.00706 -0.23570 -0.06026 0.03244 0.31712 172 4YZ 0.20267 0.24650 -0.16024 -0.04149 0.09773 173 22 O 1S 0.00127 -0.00299 0.02144 -0.00518 -0.06143 174 2S -0.08136 -0.21686 0.01896 0.11456 -0.92386 175 2PX 0.02014 -0.00670 0.06431 -0.05064 -0.01497 176 2PY 0.01418 0.08670 0.00860 -0.02706 0.08665 177 2PZ -0.02179 0.05662 -0.02610 -0.01070 -0.02235 178 3S 0.11796 0.43878 -0.63187 0.06505 3.05691 179 3PX -0.04980 0.10928 -0.04503 0.01809 -0.25869 180 3PY -0.05265 -0.32713 0.19755 0.05747 -1.28066 181 3PZ 0.09346 -0.24640 0.10334 -0.03723 -0.01319 182 4XX 0.02307 -0.38471 -0.11875 -0.26102 -0.22186 183 4YY 0.04394 0.12816 -0.07754 -0.08045 0.37432 184 4ZZ -0.05953 0.21933 0.31311 0.30774 -0.42554 185 4XY 0.10968 0.02718 0.05750 -0.04563 0.09069 186 4XZ -0.00666 0.23569 0.06026 -0.03253 0.31706 187 4YZ -0.20274 0.24649 -0.16034 -0.04156 -0.09756 188 23 H 1S 0.21728 -0.00001 0.00003 0.00000 -0.01737 189 2S -0.01173 0.00001 0.00000 -0.00002 0.04503 166 167 168 169 170 V V V V V Eigenvalues -- 2.62736 2.64516 2.67572 2.69296 2.69442 1 1 C 1S 0.03647 -0.09126 0.00244 -0.05538 -0.02266 2 2S -0.07587 -0.29582 0.03131 -0.06255 0.08160 3 2PX -0.27684 0.11497 0.01116 0.02905 0.16199 4 2PY 0.27540 0.18507 -0.12236 0.22580 -0.03448 5 2PZ -0.20680 0.07069 0.02515 0.04552 0.16263 6 3S -0.95972 4.83475 -0.18535 2.08943 0.94256 7 3PX -0.41304 1.32200 0.09786 0.44885 0.33490 8 3PY 0.05285 1.45778 -0.45591 0.74430 -0.40775 9 3PZ -0.39062 1.40765 0.32052 0.36702 0.28551 10 4XX -0.07544 -0.19366 -0.09677 -0.37175 0.13192 11 4YY -0.08981 0.44844 -0.24096 0.44418 -0.21071 12 4ZZ 0.16416 -0.23919 0.26497 -0.09748 0.19714 13 4XY 0.31768 0.10282 -0.11048 0.11537 -0.10498 14 4XZ -0.24081 0.46385 0.11099 0.17590 0.39474 15 4YZ 0.24370 0.23611 -0.32445 -0.27920 -0.13674 16 2 C 1S 0.03652 0.09124 -0.00244 0.05523 -0.02302 17 2S -0.07572 0.29586 -0.03134 0.06306 0.08124 18 2PX -0.27690 -0.11485 -0.01123 -0.02795 0.16219 19 2PY -0.27516 0.18520 -0.12245 0.22608 0.03302 20 2PZ -0.20685 -0.07058 -0.02521 -0.04440 0.16293 21 3S -0.96191 -4.83423 0.18526 -2.08308 0.95571 22 3PX -0.41358 -1.32170 -0.09795 -0.44652 0.33778 23 3PY -0.05185 1.45818 -0.45577 0.74701 0.40306 24 3PZ -0.39107 -1.40717 -0.32064 -0.36493 0.28789 25 4XX -0.07543 0.19368 0.09677 0.37261 0.12955 26 4YY -0.09005 -0.44851 0.24098 -0.44547 -0.20797 27 4ZZ 0.16438 0.23926 -0.26496 0.09868 0.19656 28 4XY -0.31766 0.10294 -0.11053 0.11604 0.10418 29 4XZ -0.24103 -0.46368 -0.11103 -0.17331 0.39593 30 4YZ -0.24354 0.23611 -0.32439 -0.27835 0.13847 31 3 C 1S -0.05662 -0.05183 -0.01607 0.00462 -0.00417 32 2S 0.00740 -0.62624 -0.01389 -0.19490 -0.06792 33 2PX -0.18045 -0.13243 -0.07425 -0.14077 0.18661 34 2PY -0.15213 0.03962 -0.04989 0.03555 0.06804 35 2PZ -0.10569 -0.11433 -0.06728 -0.11985 0.26173 36 3S 1.49271 3.28159 0.56558 0.85233 -0.12981 37 3PX -0.29012 -0.49624 -0.24065 -0.09303 0.61716 38 3PY -0.66676 -1.76811 -0.22649 -0.50933 0.02153 39 3PZ -0.09908 -0.14127 0.18615 -0.10059 0.86625 40 4XX 0.03653 -0.08733 0.19028 0.30063 -0.21378 41 4YY -0.39043 0.18177 0.02115 0.13687 -0.24569 42 4ZZ 0.29666 -0.00320 -0.14558 -0.34037 0.39877 43 4XY 0.19788 0.21178 0.07127 0.08693 -0.43651 44 4XZ 0.63502 0.23494 0.05594 0.08738 -0.03777 45 4YZ 0.18455 0.10314 -0.17758 -0.02850 -0.52140 46 4 C 1S 0.02346 0.02588 -0.04805 0.00116 0.04182 47 2S 0.03982 -0.03641 -0.01592 0.28977 -0.04265 48 2PX 0.04957 0.01442 -0.02164 0.00940 0.06546 49 2PY -0.11851 0.01555 -0.20948 0.01893 -0.08284 50 2PZ 0.11418 0.11240 0.02055 -0.06872 0.18440 51 3S -0.48999 -1.44499 0.83089 -0.89548 -0.80450 52 3PX -0.03169 0.28919 0.31652 -0.25658 0.07166 53 3PY 0.04183 0.42324 -0.69469 0.43108 -0.20118 54 3PZ 0.33173 0.32331 0.11486 0.21928 0.46068 55 4XX 0.20411 0.12005 -0.36916 -0.12663 0.22737 56 4YY -0.04517 -0.07508 0.65237 -0.02137 0.13079 57 4ZZ -0.11231 0.03888 -0.40727 0.03225 -0.29298 58 4XY -0.00317 -0.01508 -0.08508 -0.16076 0.07771 59 4XZ 0.00048 0.04242 -0.02760 0.13469 -0.16292 60 4YZ 0.20611 -0.04405 -0.11825 -0.33028 0.25517 61 5 C 1S 0.02343 -0.02589 0.04807 -0.00090 0.04182 62 2S 0.03973 0.03632 0.01591 -0.29009 -0.04080 63 2PX 0.04955 -0.01445 0.02166 -0.00899 0.06554 64 2PY 0.11856 0.01551 -0.20943 0.01941 0.08273 65 2PZ 0.11419 -0.11242 -0.02051 0.06988 0.18395 66 3S -0.48899 1.44531 -0.83124 0.89054 -0.80985 67 3PX -0.03146 -0.28922 -0.31654 0.25706 0.07004 68 3PY -0.04142 0.42335 -0.69463 0.43240 0.19847 69 3PZ 0.33153 -0.32346 -0.11475 -0.21644 0.46211 70 4XX 0.20398 -0.12012 0.36926 0.12800 0.22641 71 4YY -0.04489 0.07510 -0.65230 0.02232 0.13085 72 4ZZ -0.11250 -0.03884 0.40714 -0.03415 -0.29286 73 4XY 0.00307 -0.01508 -0.08517 -0.16127 -0.07665 74 4XZ 0.00039 -0.04237 0.02753 -0.13576 -0.16217 75 4YZ -0.20616 -0.04397 -0.11856 -0.33182 -0.25290 76 6 C 1S -0.05661 0.05185 0.01605 -0.00463 -0.00414 77 2S 0.00759 0.62627 0.01388 0.19444 -0.06911 78 2PX -0.18037 0.13250 0.07424 0.14201 0.18569 79 2PY 0.15220 0.03953 -0.04989 0.03504 -0.06831 80 2PZ -0.10563 0.11438 0.06730 0.12155 0.26094 81 3S 1.49171 -3.28243 -0.56516 -0.85359 -0.12444 82 3PX -0.28996 0.49618 0.24061 0.09702 0.61649 83 3PY 0.66623 -1.76857 -0.22623 -0.50971 -0.01855 84 3PZ -0.09889 0.14106 -0.18598 0.10601 0.86555 85 4XX 0.03654 0.08744 -0.19027 -0.30193 -0.21170 86 4YY -0.39039 -0.18180 -0.02134 -0.13843 -0.24503 87 4ZZ 0.29661 0.00315 0.14571 0.34285 0.39665 88 4XY -0.19797 0.21189 0.07133 0.08983 0.43593 89 4XZ 0.63487 -0.23513 -0.05574 -0.08775 -0.03705 90 4YZ -0.18469 0.10320 -0.17753 -0.02524 0.52149 91 7 H 1S -0.09987 -0.20982 0.07980 -0.00876 -0.11816 92 2S -0.07842 0.56187 -0.02388 0.12868 0.10398 93 8 H 1S -0.09980 0.20983 -0.07986 0.00801 -0.11821 94 2S -0.07865 -0.56181 0.02388 -0.12798 0.10477 95 9 H 1S 0.20380 -0.05724 -0.01447 -0.06884 0.12405 96 2S 0.03403 0.33771 0.13657 0.13061 -0.05879 97 10 H 1S -0.02368 0.01132 0.07770 0.16903 -0.03588 98 2S 0.04285 -0.05038 -0.15066 0.06215 -0.04649 99 11 H 1S -0.02374 -0.01134 -0.07771 -0.16928 -0.03474 100 2S 0.04277 0.05042 0.15065 -0.06244 -0.04613 101 12 H 1S 0.20381 0.05724 0.01460 0.06963 0.12360 102 2S 0.03395 -0.33781 -0.13657 -0.13104 -0.05796 103 13 H 1S -0.06356 -0.07366 -0.10669 -0.08940 -0.03549 104 2S -0.05814 -0.03253 -0.01703 0.15794 -0.03191 105 14 H 1S -0.06358 0.07369 0.10667 0.08920 -0.03605 106 2S -0.05822 0.03256 0.01701 -0.15810 -0.03086 107 15 C 1S -0.00062 -0.03921 -0.02974 0.03025 0.00176 108 2S -0.05827 -0.17736 -0.08308 0.10924 0.00226 109 2PX 0.10499 -0.08491 -0.01833 0.00625 -0.00633 110 2PY -0.02334 0.24132 0.18969 -0.23517 0.00032 111 2PZ 0.02043 -0.06662 -0.03227 0.03734 -0.02254 112 3S 0.22400 1.67141 1.23711 -1.21606 -0.07398 113 3PX 0.08595 0.03255 0.12140 0.01699 -0.00569 114 3PY -0.04098 0.89115 0.76120 -0.74821 0.05484 115 3PZ 0.09786 0.46080 0.27541 -0.09519 0.02008 116 4XX 0.01282 -0.21785 -0.22602 0.23838 -0.01104 117 4YY -0.00211 0.43710 0.37448 -0.48159 0.00819 118 4ZZ 0.05123 -0.17936 -0.11279 0.16594 -0.00948 119 4XY 0.01044 0.10107 0.03283 0.02066 0.03005 120 4XZ 0.14126 -0.13140 0.01458 -0.02471 0.00826 121 4YZ 0.00162 0.05122 0.13386 -0.15490 0.02722 122 16 C 1S -0.00064 0.03921 0.02974 -0.03023 0.00195 123 2S -0.05838 0.17742 0.08305 -0.10910 0.00299 124 2PX 0.10504 0.08484 0.01834 -0.00628 -0.00631 125 2PY 0.02327 0.24124 0.18969 -0.23517 0.00112 126 2PZ 0.02043 0.06664 0.03231 -0.03750 -0.02231 127 3S 0.22480 -1.67154 -1.23702 1.21543 -0.08184 128 3PX 0.08606 -0.03264 -0.12139 -0.01704 -0.00571 129 3PY 0.04060 0.89134 0.76127 -0.74849 -0.05003 130 3PZ 0.09803 -0.46078 -0.27524 0.09505 0.01930 131 4XX 0.01277 0.21781 0.22603 -0.23845 -0.00962 132 4YY -0.00198 -0.43714 -0.37454 0.48168 0.00525 133 4ZZ 0.05118 0.17938 0.11284 -0.16607 -0.00845 134 4XY -0.01045 0.10104 0.03281 0.02050 -0.03019 135 4XZ 0.14132 0.13133 -0.01453 0.02472 0.00809 136 4YZ -0.00173 0.05105 0.13372 -0.15490 -0.02627 137 17 C 1S -0.01677 0.00001 0.00000 -0.00004 -0.01206 138 2S 0.00903 -0.00001 0.00002 -0.00011 -0.01420 139 2PX -0.06137 0.00003 -0.00002 -0.00009 -0.03739 140 2PY 0.00001 0.25154 0.17492 -0.26561 0.00081 141 2PZ -0.08964 0.00005 -0.00001 -0.00020 -0.06557 142 3S 0.59911 -0.00021 0.00013 0.00124 0.41468 143 3PX -0.27668 0.00008 -0.00008 -0.00072 -0.24181 144 3PY 0.00000 0.35151 0.23176 -0.32582 0.00100 145 3PZ -0.12387 0.00007 -0.00002 -0.00014 -0.04751 146 4XX 0.00342 0.00003 0.00001 -0.00010 -0.02282 147 4YY -0.01669 0.00001 0.00000 0.00006 0.00859 148 4ZZ 0.00403 -0.00004 -0.00001 0.00013 0.03934 149 4XY -0.00001 -0.26262 -0.17537 0.26205 -0.00081 150 4XZ 0.14428 -0.00006 0.00003 0.00026 0.09208 151 4YZ 0.00001 -0.26587 -0.18261 0.26970 -0.00082 152 18 H 1S -0.05742 -0.00432 0.07125 -0.11224 -0.00907 153 2S 0.02616 -0.19611 -0.19770 0.15476 0.06654 154 19 H 1S -0.03127 0.00002 -0.00001 -0.00017 -0.05771 155 2S -0.06384 0.00001 -0.00001 -0.00012 -0.03421 156 20 H 1S -0.05737 0.00429 -0.07131 0.11222 -0.00973 157 2S 0.02607 0.19606 0.19774 -0.15441 0.06757 158 21 O 1S 0.01853 -0.02777 -0.01418 0.01326 0.00092 159 2S 0.21342 -0.11754 -0.06548 0.19125 0.10003 160 2PX 0.00912 -0.04494 -0.02454 0.00804 -0.01145 161 2PY 0.01352 0.02119 0.01436 -0.01862 0.00603 162 2PZ -0.00169 -0.01138 -0.01158 0.01811 0.00422 163 3S -0.78489 0.39839 0.19396 -0.51163 -0.27380 164 3PX 0.09416 0.18577 0.13893 -0.10535 -0.02413 165 3PY -0.29169 0.22065 0.11380 -0.21881 -0.14958 166 3PZ 0.03312 0.07100 0.08064 -0.13596 -0.08437 167 4XX 0.04064 -0.11736 -0.07680 0.05970 0.04812 168 4YY -0.06715 0.13533 0.09230 -0.16105 -0.09909 169 4ZZ 0.11391 -0.10246 -0.04314 0.08573 0.04285 170 4XY 0.05746 0.05753 0.08123 -0.10497 -0.03403 171 4XZ -0.08953 0.21068 0.10430 -0.09119 0.02092 172 4YZ -0.01680 0.08572 0.06949 -0.10012 -0.03974 173 22 O 1S 0.01853 0.02776 0.01419 -0.01325 0.00099 174 2S 0.21347 0.11740 0.06559 -0.19073 0.10118 175 2PX 0.00912 0.04492 0.02454 -0.00811 -0.01142 176 2PY -0.01353 0.02119 0.01434 -0.01862 -0.00591 177 2PZ -0.00171 0.01137 0.01158 -0.01808 0.00433 178 3S -0.78511 -0.39784 -0.19430 0.51021 -0.27675 179 3PX 0.09425 -0.18581 -0.13890 0.10516 -0.02478 180 3PY 0.29175 0.22044 0.11397 -0.21809 0.15087 181 3PZ 0.03324 -0.07097 -0.08061 0.13539 -0.08521 182 4XX 0.04064 0.11734 0.07686 -0.05947 0.04845 183 4YY -0.06715 -0.13535 -0.09243 0.16062 -0.10009 184 4ZZ 0.11393 0.10243 0.04322 -0.08558 0.04338 185 4XY -0.05749 0.05758 0.08123 -0.10473 0.03468 186 4XZ -0.08956 -0.21057 -0.10428 0.09124 0.02039 187 4YZ 0.01675 0.08568 0.06947 -0.09983 0.04034 188 23 H 1S -0.00070 -0.00001 0.00000 0.00008 0.02309 189 2S 0.02552 0.00001 0.00002 0.00012 0.04218 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76583 2.80385 2.86682 2.87987 1 1 C 1S 0.03640 0.00322 0.00785 0.00507 0.00694 2 2S 0.29403 0.05988 0.04151 -0.01540 0.13545 3 2PX -0.12046 -0.00290 -0.03304 -0.00522 -0.01195 4 2PY 0.19074 0.00778 0.00848 -0.03252 0.04022 5 2PZ -0.08423 -0.01760 -0.01750 0.00479 -0.02915 6 3S -3.14431 -0.20736 -1.03567 -0.26900 -0.42657 7 3PX -1.22965 -0.08244 -0.40704 -0.03806 -0.19549 8 3PY -0.53563 0.05204 -0.22313 -0.14415 0.04317 9 3PZ -1.31404 -0.02233 -0.38908 -0.03324 -0.09454 10 4XX -0.22859 -0.02245 0.00549 0.01804 -0.04932 11 4YY 0.29282 0.00204 -0.00585 -0.04840 -0.01552 12 4ZZ -0.05832 -0.00934 -0.01541 0.05297 0.00263 13 4XY 0.06461 0.00883 -0.03104 -0.01531 0.02453 14 4XZ -0.34512 -0.03737 -0.02876 0.03100 -0.06118 15 4YZ -0.20032 0.00525 0.01935 -0.04914 0.01945 16 2 C 1S -0.03640 0.00325 -0.00786 -0.00507 0.00694 17 2S -0.29396 0.06000 -0.04151 0.01539 0.13546 18 2PX 0.12048 -0.00296 0.03305 0.00522 -0.01193 19 2PY 0.19069 -0.00782 0.00850 -0.03252 -0.04016 20 2PZ 0.08426 -0.01765 0.01753 -0.00479 -0.02914 21 3S 3.14413 -0.20886 1.03570 0.26904 -0.42664 22 3PX 1.22956 -0.08297 0.40706 0.03807 -0.19541 23 3PY -0.53595 -0.05169 -0.22325 -0.14413 -0.04292 24 3PZ 1.31385 -0.02287 0.38905 0.03321 -0.09447 25 4XX 0.22861 -0.02249 -0.00550 -0.01803 -0.04927 26 4YY -0.29279 0.00210 0.00586 0.04841 -0.01560 27 4ZZ 0.05823 -0.00935 0.01541 -0.05298 0.00267 28 4XY 0.06449 -0.00882 -0.03103 -0.01529 -0.02448 29 4XZ 0.34508 -0.03751 0.02877 -0.03101 -0.06114 30 4YZ -0.20041 -0.00520 0.01936 -0.04911 -0.01940 31 3 C 1S 0.07983 -0.00424 0.01699 0.00218 -0.01091 32 2S 0.83724 -0.03470 0.48243 0.16635 -0.07336 33 2PX 0.12907 -0.01681 0.04245 -0.00103 -0.02464 34 2PY 0.01610 -0.00266 -0.08058 -0.02808 -0.00835 35 2PZ -0.01718 -0.01870 0.09847 -0.04603 -0.02224 36 3S -4.27718 0.16223 -1.05813 -0.35890 0.44487 37 3PX 0.17266 -0.02315 0.05187 -0.08362 -0.04713 38 3PY 1.92012 -0.03099 0.68744 0.18274 -0.15629 39 3PZ -0.39705 -0.11341 0.18545 -0.05304 -0.17452 40 4XX 0.23988 0.02710 -0.18572 0.02004 0.03295 41 4YY -0.16931 0.01135 -0.00204 -0.02498 0.00306 42 4ZZ -0.29035 -0.03075 0.05350 -0.06302 -0.02620 43 4XY -0.19871 0.03020 0.03045 0.01938 0.04589 44 4XZ -0.28925 0.00068 0.04611 -0.01698 0.03653 45 4YZ 0.07352 0.02838 -0.12957 0.04426 0.04030 46 4 C 1S -0.03528 -0.00445 0.01176 -0.00772 -0.00607 47 2S -0.21509 -0.04669 0.27631 -0.03912 0.02151 48 2PX -0.06091 -0.00921 0.05050 -0.01277 0.01706 49 2PY 0.12115 0.01048 -0.04003 0.01736 -0.00854 50 2PZ -0.20596 -0.00094 -0.06665 -0.02577 -0.00322 51 3S 2.28223 0.12420 -0.19898 0.33565 0.04040 52 3PX -0.34314 0.03091 -0.49668 0.02474 -0.05180 53 3PY 0.21135 0.01820 -0.04635 -0.02012 0.04529 54 3PZ -0.97244 -0.04580 0.40344 -0.15965 0.01735 55 4XX -0.01241 -0.00321 -0.06127 -0.01236 -0.01491 56 4YY -0.35562 -0.00819 0.13328 -0.04042 -0.02519 57 4ZZ 0.36204 0.01980 -0.14072 0.04836 0.00313 58 4XY -0.04697 -0.00770 0.04530 -0.00382 -0.02317 59 4XZ 0.17529 -0.00245 -0.08617 0.02021 -0.01353 60 4YZ -0.15798 -0.01576 0.03253 -0.01511 -0.01011 61 5 C 1S 0.03528 -0.00446 -0.01176 0.00773 -0.00607 62 2S 0.21514 -0.04678 -0.27632 0.03914 0.02151 63 2PX 0.06093 -0.00923 -0.05051 0.01277 0.01705 64 2PY 0.12113 -0.01052 -0.04005 0.01736 0.00851 65 2PZ 0.20599 -0.00102 0.06664 0.02579 -0.00323 66 3S -2.28239 0.12516 0.19905 -0.33576 0.04040 67 3PX 0.34327 0.03077 0.49668 -0.02472 -0.05177 68 3PY 0.21115 -0.01823 -0.04631 -0.02011 -0.04538 69 3PZ 0.97258 -0.04616 -0.40352 0.15969 0.01727 70 4XX 0.01239 -0.00320 0.06128 0.01236 -0.01490 71 4YY 0.35568 -0.00831 -0.13329 0.04043 -0.02525 72 4ZZ -0.36210 0.01992 0.14072 -0.04837 0.00318 73 4XY -0.04693 0.00770 0.04529 -0.00381 0.02317 74 4XZ -0.17539 -0.00240 0.08619 -0.02023 -0.01350 75 4YZ -0.15785 0.01578 0.03249 -0.01511 0.01011 76 6 C 1S -0.07984 -0.00421 -0.01699 -0.00218 -0.01091 77 2S -0.83727 -0.03431 -0.48246 -0.16635 -0.07336 78 2PX -0.12906 -0.01674 -0.04248 0.00103 -0.02468 79 2PY 0.01612 0.00268 -0.08057 -0.02809 0.00837 80 2PZ 0.01720 -0.01868 -0.09845 0.04603 -0.02228 81 3S 4.27748 0.16045 1.05797 0.35893 0.44496 82 3PX -0.17243 -0.02310 -0.05182 0.08366 -0.04721 83 3PY 1.92023 0.03017 0.68738 0.18274 0.15633 84 3PZ 0.39735 -0.11355 -0.18540 0.05314 -0.17463 85 4XX -0.24000 0.02713 0.18567 -0.02005 0.03297 86 4YY 0.16943 0.01128 0.00212 0.02497 0.00308 87 4ZZ 0.29037 -0.03082 -0.05352 0.06304 -0.02622 88 4XY -0.19869 -0.03012 0.03045 0.01939 -0.04593 89 4XZ 0.28929 0.00056 -0.04617 0.01701 0.03653 90 4YZ 0.07348 -0.02840 -0.12956 0.04427 -0.04037 91 7 H 1S 0.12360 0.02203 -0.01168 0.00242 0.02008 92 2S -0.42533 -0.00032 -0.13490 -0.01610 -0.02758 93 8 H 1S -0.12358 0.02208 0.01168 -0.00243 0.02009 94 2S 0.42530 -0.00050 0.13491 0.01610 -0.02758 95 9 H 1S 0.11614 -0.02568 -0.04147 0.01882 -0.02165 96 2S -0.44604 0.01678 -0.11994 -0.05352 0.03665 97 10 H 1S -0.09114 0.00555 0.11178 -0.02477 0.02014 98 2S -0.08255 -0.05630 0.10176 -0.00542 0.00217 99 11 H 1S 0.09116 0.00551 -0.11178 0.02478 0.02013 100 2S 0.08248 -0.05635 -0.10177 0.00544 0.00217 101 12 H 1S -0.11621 -0.02563 0.04145 -0.01882 -0.02166 102 2S 0.44611 0.01657 0.11994 0.05352 0.03664 103 13 H 1S 0.08219 -0.00728 0.06374 0.00164 -0.02116 104 2S 0.07243 0.01787 0.22395 -0.01489 -0.02802 105 14 H 1S -0.08220 -0.00724 -0.06374 -0.00164 -0.02117 106 2S -0.07243 0.01790 -0.22393 0.01489 -0.02804 107 15 C 1S 0.02044 0.02611 0.10186 -0.01590 0.02804 108 2S 0.15136 -0.09138 0.64215 0.06166 -0.18669 109 2PX -0.04679 -0.25695 -0.27619 -0.09532 -0.32206 110 2PY 0.13889 0.17850 -0.23346 0.28276 0.08277 111 2PZ -0.05910 -0.16149 -0.03073 -0.07266 -0.22881 112 3S -1.08040 -0.60925 -5.68206 0.43218 -0.97040 113 3PX -0.11860 -0.18938 -0.75594 -0.02151 -0.37023 114 3PY -0.02961 0.16180 -2.30549 0.29618 0.32758 115 3PZ -0.50535 -0.19700 -1.89549 -0.01271 -0.33082 116 4XX -0.21051 -0.03724 0.18624 -0.23080 -0.22111 117 4YY 0.32743 -0.04518 -0.47800 0.55729 0.21557 118 4ZZ -0.03534 0.09111 0.11918 -0.30842 -0.07957 119 4XY 0.04317 0.25616 0.00779 -0.44737 0.13258 120 4XZ -0.00904 -0.18774 -0.42148 -0.10642 -0.37885 121 4YZ 0.05470 0.18867 -0.38974 -0.50458 0.10504 122 16 C 1S -0.02044 0.02613 -0.10186 0.01590 0.02804 123 2S -0.15150 -0.09121 -0.64221 -0.06167 -0.18666 124 2PX 0.04667 -0.25696 0.27619 0.09534 -0.32204 125 2PY 0.13885 -0.17852 -0.23351 0.28278 -0.08274 126 2PZ 0.05906 -0.16151 0.03066 0.07273 -0.22879 127 3S 1.08028 -0.61001 5.68212 -0.43209 -0.97025 128 3PX 0.11857 -0.18951 0.75592 0.02152 -0.37027 129 3PY -0.02989 -0.16167 -2.30577 0.29620 -0.32756 130 3PZ 0.50539 -0.19741 1.89502 0.01277 -0.33086 131 4XX 0.21053 -0.03741 -0.18618 0.23082 -0.22116 132 4YY -0.32746 -0.04498 0.47809 -0.55712 0.21567 133 4ZZ 0.03538 0.09109 -0.11933 0.30822 -0.07959 134 4XY 0.04307 -0.25628 0.00767 -0.44729 -0.13247 135 4XZ 0.00901 -0.18780 0.42143 0.10632 -0.37885 136 4YZ 0.05453 -0.18879 -0.38959 -0.50472 -0.10498 137 17 C 1S 0.00000 0.02776 0.00001 0.00000 -0.07868 138 2S 0.00005 -0.01883 -0.00004 -0.00001 0.25226 139 2PX -0.00001 0.05948 0.00003 0.00000 -0.29573 140 2PY 0.39064 -0.00021 0.51810 -0.34028 0.00005 141 2PZ 0.00002 0.07572 0.00008 -0.00003 -0.32692 142 3S -0.00008 -0.75752 -0.00017 0.00007 2.15170 143 3PX -0.00001 0.00959 0.00006 0.00002 -0.37835 144 3PY 0.38402 -0.00020 0.28907 -0.32209 0.00003 145 3PZ 0.00000 -0.03170 0.00002 -0.00001 -0.35506 146 4XX 0.00008 0.39433 0.00003 -0.00005 -0.35296 147 4YY -0.00012 -0.74231 0.00001 0.00006 0.56647 148 4ZZ 0.00004 0.40230 -0.00001 -0.00002 -0.24823 149 4XY -0.35242 0.00013 -0.39865 0.12393 -0.00001 150 4XZ 0.00002 0.14335 -0.00005 -0.00002 0.16517 151 4YZ -0.31648 0.00005 -0.32461 0.27953 0.00007 152 18 H 1S 0.04889 -0.02777 -0.25017 -0.27600 0.05032 153 2S -0.04037 0.05106 0.71643 0.10422 0.01783 154 19 H 1S -0.00002 -0.09318 0.00000 0.00001 -0.05886 155 2S 0.00005 0.22023 0.00004 -0.00003 -0.15263 156 20 H 1S -0.04889 -0.02767 0.25023 0.27604 0.05035 157 2S 0.04044 0.05106 -0.71654 -0.10425 0.01782 158 21 O 1S -0.02199 -0.04852 -0.03128 0.03038 0.00134 159 2S -0.42703 -0.32936 -0.85414 0.04202 0.00666 160 2PX 0.00656 0.00127 0.05073 0.02990 0.04386 161 2PY 0.00615 0.07694 -0.04195 -0.02983 0.05009 162 2PZ -0.01053 0.00311 0.01562 0.02246 0.03258 163 3S 1.35580 1.35360 2.86336 -0.44299 -0.01943 164 3PX -0.11325 -0.25791 -0.65464 -0.17986 -1.07657 165 3PY 0.45648 0.17222 0.96883 -0.06286 -0.44046 166 3PZ 0.05607 -0.12550 -0.17157 -0.15463 -0.86886 167 4XX -0.07394 0.23297 0.02377 -0.04089 0.31455 168 4YY 0.17085 -0.51144 0.23126 0.15091 -0.30394 169 4ZZ -0.09898 0.06881 -0.25495 0.07240 0.05404 170 4XY 0.11092 0.11499 -0.06516 -0.43293 -0.65009 171 4XZ 0.16079 0.60824 0.24000 -0.17656 0.18684 172 4YZ 0.13737 0.14030 0.12985 -0.28897 -0.54294 173 22 O 1S 0.02197 -0.04855 0.03127 -0.03036 0.00134 174 2S 0.42699 -0.32967 0.85402 -0.04202 0.00669 175 2PX -0.00656 0.00126 -0.05074 -0.02989 0.04386 176 2PY 0.00610 -0.07695 -0.04194 -0.02981 -0.05009 177 2PZ 0.01054 0.00308 -0.01563 -0.02245 0.03258 178 3S -1.35552 1.35469 -2.86297 0.44284 -0.01955 179 3PX 0.11318 -0.25790 0.65470 0.17985 -1.07654 180 3PY 0.45657 -0.17255 0.96860 -0.06291 0.44067 181 3PZ -0.05606 -0.12541 0.17175 0.15462 -0.86875 182 4XX 0.07408 0.23291 -0.02382 0.04085 0.31458 183 4YY -0.17119 -0.51128 -0.23126 -0.15065 -0.30413 184 4ZZ 0.09910 0.06866 0.25498 -0.07254 0.05419 185 4XY 0.11088 -0.11532 -0.06517 -0.43290 0.65004 186 4XZ -0.16052 0.60837 -0.23993 0.17636 0.18691 187 4YZ 0.13728 -0.14062 0.12973 -0.28893 0.54287 188 23 H 1S -0.00002 -0.07785 -0.00001 0.00001 0.00243 189 2S 0.00003 0.16851 0.00000 -0.00003 -0.15174 176 177 178 179 180 V V V V V Eigenvalues -- 2.94455 3.10579 3.13114 4.00618 4.10567 1 1 C 1S 0.00100 0.00433 -0.05714 -0.03378 -0.00884 2 2S -0.02739 0.22683 0.08189 0.31080 0.39500 3 2PX -0.17675 0.01771 0.08611 -0.02375 -0.02796 4 2PY 0.40580 -0.01744 0.07880 0.03273 -0.02160 5 2PZ -0.16364 -0.00504 0.04918 -0.03624 -0.03557 6 3S 0.11104 -1.02707 2.10638 -0.18960 -1.45258 7 3PX -0.68042 -0.37052 0.62002 -0.12025 -0.55500 8 3PY 1.46896 -0.34286 0.58819 0.03478 -0.60827 9 3PZ -0.45998 -0.21221 0.71500 -0.05095 -0.45544 10 4XX -0.35285 -0.04145 -0.14036 -0.18799 -0.14967 11 4YY 0.64461 -0.00412 0.38797 -0.14224 -0.22090 12 4ZZ -0.26143 -0.05636 -0.35627 -0.15351 -0.09984 13 4XY 0.27749 -0.13565 -0.55055 0.01526 0.01979 14 4XZ -0.38717 -0.03623 0.02796 -0.03911 -0.07219 15 4YZ 0.31034 -0.08239 -0.45038 0.01224 0.04285 16 2 C 1S -0.00100 -0.00434 0.05713 -0.03378 0.00898 17 2S 0.02734 -0.22682 -0.08188 0.31089 -0.39600 18 2PX 0.17679 -0.01771 -0.08608 -0.02376 0.02795 19 2PY 0.40577 -0.01743 0.07886 -0.03272 -0.02158 20 2PZ 0.16369 0.00505 -0.04915 -0.03624 0.03555 21 3S -0.11106 1.02710 -2.10628 -0.18990 1.45239 22 3PX 0.68059 0.37051 -0.61995 -0.12040 0.55500 23 3PY 1.46877 -0.34292 0.58835 -0.03473 -0.60838 24 3PZ 0.46020 0.21214 -0.71485 -0.05107 0.45538 25 4XX 0.35293 0.04142 0.14025 -0.18803 0.15023 26 4YY -0.64472 0.00415 -0.38774 -0.14227 0.22141 27 4ZZ 0.26147 0.05633 0.35614 -0.15354 0.10040 28 4XY 0.27734 -0.13566 -0.55057 -0.01525 0.01978 29 4XZ 0.38724 0.03621 -0.02807 -0.03912 0.07220 30 4YZ 0.31013 -0.08240 -0.45047 -0.01224 0.04285 31 3 C 1S 0.00270 0.00735 -0.05161 0.01871 -0.02604 32 2S -0.22319 0.37747 -0.10014 -0.25476 0.58009 33 2PX 0.21131 0.01227 -0.17928 -0.02143 0.05977 34 2PY 0.14412 -0.05430 -0.05552 0.00596 -0.00030 35 2PZ 0.24010 0.02619 -0.11045 -0.02749 0.03782 36 3S -0.36150 -0.85227 1.91473 0.29274 -1.23122 37 3PX 0.85895 -0.08795 -0.11745 -0.05157 -0.08990 38 3PY -0.03544 0.47479 -0.86083 -0.18193 0.81111 39 3PZ 1.12977 -0.03569 0.21890 -0.07157 -0.20524 40 4XX -0.15731 -0.07176 0.09824 0.13841 -0.26035 41 4YY -0.04293 -0.11069 -0.46040 0.10322 -0.20051 42 4ZZ 0.17126 0.02629 0.34370 0.09652 -0.23182 43 4XY -0.39079 0.01008 -0.01694 0.03130 -0.01396 44 4XZ -0.17263 0.07758 0.44733 0.01487 -0.08638 45 4YZ -0.46131 0.01150 0.00055 0.04408 0.00810 46 4 C 1S 0.00107 0.00691 0.03689 0.06645 -0.01611 47 2S -0.06636 0.19563 -0.03009 -0.46042 -0.06856 48 2PX 0.03440 0.02769 0.02562 -0.01902 -0.03801 49 2PY -0.12633 0.00895 -0.05810 0.02751 0.01921 50 2PZ 0.12791 -0.05869 0.14381 0.00924 -0.03087 51 3S -0.24491 -0.11500 -1.19727 -0.20577 0.86941 52 3PX 0.09370 -0.34137 0.16180 0.12588 -0.03445 53 3PY -0.72620 0.15692 0.02048 -0.03484 -0.17292 54 3PZ 0.55361 0.09811 0.32349 0.00231 -0.47710 55 4XX -0.01169 -0.01181 0.20101 0.28852 -0.05208 56 4YY 0.36522 -0.06427 0.00086 0.24060 -0.00107 57 4ZZ -0.34539 -0.00603 -0.07843 0.24836 0.04240 58 4XY 0.04032 0.02396 0.06234 -0.00049 0.00708 59 4XZ -0.11557 -0.00296 0.01352 -0.02081 0.06511 60 4YZ 0.10592 0.03793 0.31209 0.00150 -0.01849 61 5 C 1S -0.00107 -0.00690 -0.03690 0.06645 0.01624 62 2S 0.06638 -0.19562 0.03010 -0.46047 0.06777 63 2PX -0.03443 -0.02769 -0.02565 -0.01902 0.03802 64 2PY -0.12630 0.00894 -0.05809 -0.02751 0.01919 65 2PZ -0.12794 0.05869 -0.14384 0.00924 0.03090 66 3S 0.24495 0.11500 1.19735 -0.20570 -0.86982 67 3PX -0.09376 0.34136 -0.16185 0.12588 0.03448 68 3PY -0.72613 0.15691 0.02054 0.03487 -0.17297 69 3PZ -0.55372 -0.09811 -0.32351 0.00228 0.47701 70 4XX 0.01171 0.01181 -0.20103 0.28855 0.05258 71 4YY -0.36526 0.06426 -0.00095 0.24063 0.00151 72 4ZZ 0.34541 0.00604 0.07852 0.24838 -0.04191 73 4XY 0.04028 0.02397 0.06238 0.00049 0.00708 74 4XZ 0.11562 0.00297 -0.01345 -0.02081 -0.06513 75 4YZ 0.10579 0.03794 0.31210 -0.00151 -0.01851 76 6 C 1S -0.00270 -0.00734 0.05161 0.01872 0.02616 77 2S 0.22320 -0.37748 0.10012 -0.25476 -0.58085 78 2PX -0.21129 -0.01229 0.17929 -0.02143 -0.05975 79 2PY 0.14419 -0.05429 -0.05558 -0.00595 -0.00032 80 2PZ -0.24010 -0.02618 0.11046 -0.02748 -0.03782 81 3S 0.36149 0.85217 -1.91487 0.29246 1.23089 82 3PX -0.85896 0.08796 0.11735 -0.05149 0.09002 83 3PY -0.03518 0.47475 -0.86088 0.18178 0.81112 84 3PZ -1.12980 0.03574 -0.21903 -0.07148 0.20539 85 4XX 0.15721 0.07173 -0.09821 0.13842 0.26076 86 4YY 0.04315 0.11073 0.46043 0.10326 0.20100 87 4ZZ -0.17137 -0.02627 -0.34375 0.09653 0.23223 88 4XY -0.39085 0.01011 -0.01681 -0.03129 -0.01395 89 4XZ 0.17249 -0.07758 -0.44740 0.01485 0.08634 90 4YZ -0.46132 0.01153 0.00076 -0.04408 0.00807 91 7 H 1S 0.00032 0.07471 0.29567 0.03218 -0.00487 92 2S 0.02804 -0.12662 0.07932 -0.03816 -0.21903 93 8 H 1S -0.00031 -0.07471 -0.29566 0.03219 0.00480 94 2S -0.02803 0.12662 -0.07931 -0.03821 0.21915 95 9 H 1S 0.03108 0.04428 0.20522 -0.01767 0.00161 96 2S 0.00281 -0.14010 0.04758 0.08721 -0.23769 97 10 H 1S 0.01113 0.03979 -0.04591 -0.01859 -0.10074 98 2S -0.00860 0.10165 0.09741 -0.03422 0.14551 99 11 H 1S -0.01114 -0.03979 0.04591 -0.01860 0.10069 100 2S 0.00858 -0.10164 -0.09741 -0.03422 -0.14541 101 12 H 1S -0.03109 -0.04429 -0.20523 -0.01768 -0.00167 102 2S -0.00282 0.14010 -0.04760 0.08717 0.23783 103 13 H 1S -0.00176 0.03760 -0.01601 -0.02329 -0.01835 104 2S -0.00280 0.13847 -0.07832 0.11737 -0.05998 105 14 H 1S 0.00177 -0.03760 0.01602 -0.02329 0.01829 106 2S 0.00280 -0.13848 0.07832 0.11736 0.06014 107 15 C 1S -0.01522 0.05496 -0.02325 -0.01587 -0.08282 108 2S -0.20088 0.14363 -0.05610 0.24722 0.76977 109 2PX 0.01441 -0.40494 0.06204 -0.05287 -0.15492 110 2PY 0.06655 0.23586 -0.04007 0.04196 -0.10382 111 2PZ -0.03109 -0.19921 0.03818 -0.00436 -0.06217 112 3S 1.13275 -2.85767 1.07850 -0.87281 -2.53993 113 3PX 0.19114 -1.00619 0.26801 -0.33955 -1.11921 114 3PY 0.48965 -0.28820 0.34413 0.07262 -0.49180 115 3PZ 0.48597 -1.49314 0.47350 -0.33710 -1.34357 116 4XX -0.03889 -0.30774 0.04782 -0.04401 -0.40536 117 4YY 0.12585 0.24493 -0.04008 -0.07700 -0.50449 118 4ZZ -0.00491 0.00963 -0.03496 -0.05320 -0.37498 119 4XY -0.02565 0.44151 -0.06522 -0.08593 -0.01242 120 4XZ 0.03148 -0.47073 0.07900 -0.05439 -0.12130 121 4YZ -0.01456 0.33443 -0.07165 -0.06457 -0.03969 122 16 C 1S 0.01522 -0.05497 0.02325 -0.01590 0.08296 123 2S 0.20095 -0.14372 0.05614 0.24742 -0.77081 124 2PX -0.01436 0.40494 -0.06204 -0.05289 0.15496 125 2PY 0.06656 0.23581 -0.04007 -0.04195 -0.10379 126 2PZ 0.03114 0.19922 -0.03818 -0.00439 0.06216 127 3S -1.13261 2.85782 -1.07852 -0.87300 2.53956 128 3PX -0.19109 1.00619 -0.26801 -0.33964 1.11914 129 3PY 0.48981 -0.28843 0.34425 -0.07255 -0.49205 130 3PZ -0.48586 1.49313 -0.47346 -0.33719 1.34345 131 4XX 0.03891 0.30779 -0.04784 -0.04412 0.40602 132 4YY -0.12588 -0.24504 0.04009 -0.07714 0.50505 133 4ZZ 0.00492 -0.00957 0.03495 -0.05329 0.37557 134 4XY -0.02560 0.44141 -0.06521 0.08591 -0.01244 135 4XZ -0.03142 0.47083 -0.07901 -0.05439 0.12130 136 4YZ -0.01458 0.33438 -0.07164 0.06454 -0.03966 137 17 C 1S 0.00000 0.00000 0.00000 -0.11844 -0.00004 138 2S -0.00002 0.00000 0.00000 0.95164 0.00017 139 2PX 0.00002 -0.00001 0.00000 0.13759 0.00000 140 2PY -0.14717 -0.36030 0.02410 -0.00001 0.06090 141 2PZ 0.00001 -0.00003 0.00000 0.11876 0.00002 142 3S -0.00012 0.00002 0.00001 -2.06004 0.00016 143 3PX -0.00001 -0.00001 -0.00001 0.55644 0.00001 144 3PY -0.11067 -0.80246 0.11863 -0.00007 0.41048 145 3PZ 0.00003 -0.00008 0.00002 0.60123 0.00000 146 4XX 0.00002 0.00000 0.00000 -0.55723 -0.00012 147 4YY -0.00004 -0.00005 0.00001 -0.37556 -0.00015 148 4ZZ 0.00002 0.00004 -0.00001 -0.55298 -0.00011 149 4XY 0.09556 0.36569 -0.03371 0.00000 0.04189 150 4XZ 0.00000 0.00004 0.00000 -0.05096 0.00002 151 4YZ 0.09441 0.34629 -0.03869 0.00001 0.11123 152 18 H 1S -0.01797 0.14796 -0.05667 0.08760 -0.07019 153 2S -0.14514 0.20835 -0.09811 -0.04073 0.39999 154 19 H 1S 0.00000 0.00000 0.00000 0.22974 0.00002 155 2S 0.00000 0.00001 0.00000 -0.03667 -0.00004 156 20 H 1S 0.01795 -0.14796 0.05667 0.08760 0.07012 157 2S 0.14514 -0.20839 0.09811 -0.04073 -0.39991 158 21 O 1S 0.00778 0.00147 -0.00815 -0.38220 -0.40006 159 2S 0.14686 -0.41009 0.13692 -0.38933 -0.57612 160 2PX 0.00762 -0.00742 -0.00147 0.05580 0.07599 161 2PY 0.00948 0.02959 -0.00261 -0.13502 -0.17064 162 2PZ 0.00772 -0.00939 0.00617 0.02059 0.00403 163 3S -0.59135 1.45553 -0.41064 4.65318 5.24251 164 3PX 0.06264 -1.36962 0.28374 -0.18034 -0.81922 165 3PY -0.20471 -0.03370 -0.06801 0.95531 0.82544 166 3PZ -0.02819 -0.98121 0.16717 -0.01598 -0.39220 167 4XX -0.00154 0.50031 -0.12374 -1.23309 -1.20347 168 4YY -0.04082 -0.38746 0.02804 -1.13379 -1.25953 169 4ZZ 0.04665 0.13371 -0.04528 -1.29788 -1.35587 170 4XY -0.04402 -0.42503 0.07252 0.03983 -0.14548 171 4XZ -0.02103 0.40034 -0.06618 0.08295 0.23277 172 4YZ -0.07268 -0.38070 0.05811 0.08580 -0.07049 173 22 O 1S -0.00778 -0.00148 0.00815 -0.38224 0.40003 174 2S -0.14683 0.41013 -0.13692 -0.38938 0.57610 175 2PX -0.00763 0.00740 0.00147 0.05581 -0.07596 176 2PY 0.00950 0.02958 -0.00261 0.13503 -0.17063 177 2PZ -0.00772 0.00938 -0.00617 0.02061 -0.00403 178 3S 0.59128 -1.45557 0.41064 4.65367 -5.24223 179 3PX -0.06247 1.36969 -0.28375 -0.18046 0.81927 180 3PY -0.20476 -0.03390 -0.06797 -0.95538 0.82530 181 3PZ 0.02827 0.98117 -0.16717 -0.01619 0.39231 182 4XX 0.00148 -0.50038 0.12374 -1.23319 1.20332 183 4YY 0.04089 0.38759 -0.02806 -1.13390 1.25951 184 4ZZ -0.04669 -0.13378 0.04528 -1.29803 1.35576 185 4XY -0.04410 -0.42495 0.07251 -0.03982 -0.14549 186 4XZ 0.02097 -0.40042 0.06619 0.08298 -0.23285 187 4YZ -0.07273 -0.38056 0.05809 -0.08576 -0.07053 188 23 H 1S 0.00001 0.00000 0.00000 0.22760 0.00001 189 2S 0.00002 -0.00001 0.00001 0.00601 -0.00005 181 182 183 184 185 V V V V V Eigenvalues -- 4.12768 4.25201 4.26811 4.36204 4.37022 1 1 C 1S -0.19904 0.26105 -0.08422 -0.04541 -0.23408 2 2S 1.36014 -1.42397 0.52362 0.31000 1.44023 3 2PX -0.01081 0.10547 -0.01625 0.01668 -0.05132 4 2PY 0.05854 -0.05469 0.03034 -0.00785 -0.17045 5 2PZ 0.00893 0.06995 0.00817 0.04119 -0.01014 6 3S 0.35563 -1.13026 0.30647 -0.08050 0.43240 7 3PX -0.04329 -0.24739 0.00190 -0.07921 -0.22253 8 3PY -0.02106 0.03263 -0.08941 0.01350 0.12391 9 3PZ -0.07024 -0.16172 -0.04692 -0.08654 -0.35817 10 4XX -0.78713 1.01491 -0.31830 -0.15067 -0.89779 11 4YY -0.73403 0.88777 -0.30560 -0.16341 -1.13787 12 4ZZ -0.78818 1.02402 -0.33790 -0.17318 -0.89954 13 4XY 0.00317 -0.02560 0.00042 -0.02791 0.02959 14 4XZ -0.01740 0.02811 -0.01095 0.00839 -0.00806 15 4YZ -0.00183 -0.03113 -0.00872 -0.04185 -0.00223 16 2 C 1S -0.19902 0.26103 -0.08420 -0.04550 0.23408 17 2S 1.35977 -1.42387 0.52353 0.31058 -1.44025 18 2PX -0.01079 0.10548 -0.01625 0.01666 0.05134 19 2PY -0.05857 0.05468 -0.03035 0.00791 -0.17043 20 2PZ 0.00895 0.06995 0.00817 0.04118 0.01015 21 3S 0.35675 -1.13017 0.30637 -0.08041 -0.43263 22 3PX -0.04285 -0.24740 0.00191 -0.07933 0.22248 23 3PY 0.02056 -0.03259 0.08951 -0.01350 0.12380 24 3PZ -0.06988 -0.16169 -0.04691 -0.08671 0.35811 25 4XX -0.78699 1.01485 -0.31824 -0.15102 0.89785 26 4YY -0.73380 0.88769 -0.30553 -0.16388 1.13790 27 4ZZ -0.78807 1.02396 -0.33784 -0.17354 0.89958 28 4XY -0.00314 0.02558 -0.00041 0.02790 0.02965 29 4XZ -0.01734 0.02812 -0.01095 0.00840 0.00808 30 4YZ 0.00188 0.03109 0.00872 0.04186 -0.00216 31 3 C 1S -0.10992 -0.06741 -0.02805 -0.12708 0.19374 32 2S 0.69625 0.34259 0.06271 0.55838 -0.67667 33 2PX -0.05137 0.09100 -0.03144 -0.00727 0.09422 34 2PY -0.04691 0.05453 -0.00650 0.02417 -0.04396 35 2PZ -0.00555 0.10239 -0.00141 0.01735 0.02711 36 3S 0.23730 0.50280 0.05763 0.68023 -1.49601 37 3PX -0.03902 -0.16184 0.10894 0.07506 0.08027 38 3PY -0.00474 -0.15494 -0.10811 -0.10251 0.70498 39 3PZ -0.03957 -0.19930 0.06644 -0.13897 -0.01780 40 4XX -0.38378 -0.31926 -0.05009 -0.40202 0.61276 41 4YY -0.43507 -0.27918 -0.10359 -0.49487 0.60477 42 4ZZ -0.33224 -0.22078 -0.01386 -0.40641 0.54895 43 4XY 0.03496 -0.07463 -0.01688 -0.03138 -0.05354 44 4XZ 0.07325 -0.04748 0.02937 -0.03611 -0.13775 45 4YZ -0.00690 -0.09563 -0.01777 -0.00655 -0.01177 46 4 C 1S -0.14568 -0.21545 -0.11495 -0.13174 0.11917 47 2S 0.90818 1.08782 0.64842 0.60553 -0.82020 48 2PX -0.00339 0.01855 -0.01039 -0.04726 0.01353 49 2PY -0.02244 -0.00013 -0.01532 0.01490 -0.03980 50 2PZ -0.01942 0.03379 0.03520 0.03760 -0.02208 51 3S 0.48781 0.94666 0.35416 0.53361 0.07857 52 3PX 0.01729 -0.02357 0.07090 0.18578 -0.21839 53 3PY 0.06764 0.06730 0.01887 0.02671 -0.13378 54 3PZ 0.08581 -0.04611 0.02127 -0.07431 -0.30263 55 4XX -0.57872 -0.82281 -0.44242 -0.48441 0.48351 56 4YY -0.50071 -0.70326 -0.39490 -0.42660 0.56247 57 4ZZ -0.56904 -0.80104 -0.46452 -0.45579 0.46923 58 4XY -0.00709 0.00234 0.00012 0.00630 0.01885 59 4XZ 0.00278 0.01461 -0.01210 0.01367 -0.02757 60 4YZ -0.01476 -0.01442 -0.00125 -0.04839 0.03768 61 5 C 1S -0.14567 -0.21545 -0.11494 -0.13168 -0.11918 62 2S 0.90823 1.08788 0.64832 0.60512 0.82018 63 2PX -0.00335 0.01855 -0.01040 -0.04726 -0.01357 64 2PY 0.02246 0.00012 0.01532 -0.01488 -0.03982 65 2PZ -0.01940 0.03378 0.03520 0.03759 0.02207 66 3S 0.48716 0.94662 0.35423 0.53365 -0.07867 67 3PX 0.01728 -0.02355 0.07096 0.18568 0.21853 68 3PY -0.06777 -0.06733 -0.01888 -0.02665 -0.13383 69 3PZ 0.08619 -0.04608 0.02118 -0.07449 0.30261 70 4XX -0.57868 -0.82283 -0.44238 -0.48416 -0.48351 71 4YY -0.50072 -0.70329 -0.39486 -0.42634 -0.56249 72 4ZZ -0.56907 -0.80107 -0.46447 -0.45555 -0.46919 73 4XY 0.00710 -0.00234 -0.00011 -0.00631 0.01885 74 4XZ 0.00273 0.01461 -0.01209 0.01367 0.02759 75 4YZ 0.01475 0.01444 0.00127 0.04837 0.03771 76 6 C 1S -0.10990 -0.06740 -0.02807 -0.12699 -0.19387 77 2S 0.69587 0.34251 0.06284 0.55806 0.67736 78 2PX -0.05142 0.09101 -0.03144 -0.00724 -0.09421 79 2PY 0.04692 -0.05455 0.00650 -0.02415 -0.04398 80 2PZ -0.00558 0.10239 -0.00141 0.01736 -0.02712 81 3S 0.23824 0.50279 0.05762 0.67945 1.49678 82 3PX -0.03891 -0.16185 0.10888 0.07509 -0.08015 83 3PY 0.00536 0.15500 0.10804 0.10215 0.70508 84 3PZ -0.03940 -0.19926 0.06639 -0.13896 0.01788 85 4XX -0.38361 -0.31919 -0.05016 -0.40172 -0.61326 86 4YY -0.43493 -0.27917 -0.10367 -0.49458 -0.60525 87 4ZZ -0.33209 -0.22070 -0.01393 -0.40614 -0.54945 88 4XY -0.03498 0.07465 0.01687 0.03141 -0.05353 89 4XZ 0.07332 -0.04745 0.02937 -0.03615 0.13770 90 4YZ 0.00687 0.09564 0.01773 0.00653 -0.01180 91 7 H 1S 0.08717 -0.09951 0.02917 0.04030 0.06158 92 2S -0.18585 0.14616 -0.11995 -0.09048 -0.28249 93 8 H 1S 0.08718 -0.09950 0.02917 0.04033 -0.06156 94 2S -0.18566 0.14616 -0.11995 -0.09061 0.28247 95 9 H 1S 0.06191 0.03229 0.03189 0.04768 -0.07621 96 2S -0.09583 -0.01851 0.01561 -0.11194 -0.06941 97 10 H 1S 0.06192 0.06898 0.03406 0.02829 -0.03716 98 2S -0.18194 -0.21786 -0.14873 -0.26753 0.21404 99 11 H 1S 0.06201 0.06898 0.03404 0.02827 0.03716 100 2S -0.18205 -0.21789 -0.14873 -0.26743 -0.21412 101 12 H 1S 0.06191 0.03229 0.03190 0.04765 0.07624 102 2S -0.09565 -0.01849 0.01557 -0.11199 0.06931 103 13 H 1S 0.05449 0.05958 0.04205 0.05720 0.08181 104 2S -0.17687 -0.22835 -0.07707 -0.01557 -0.14864 105 14 H 1S 0.05451 0.05957 0.04204 0.05724 -0.08179 106 2S -0.17681 -0.22834 -0.07710 -0.01564 0.14870 107 15 C 1S -0.19133 -0.07312 0.14498 0.25584 -0.11789 108 2S 1.23049 0.54314 -0.63302 -1.31000 0.92742 109 2PX -0.05221 -0.01533 0.00531 0.01098 -0.03723 110 2PY 0.06970 0.06628 0.00619 -0.03771 -0.08657 111 2PZ -0.03586 -0.00414 0.04878 0.08644 -0.03190 112 3S 0.46640 -0.12325 -0.41149 -1.23948 0.31575 113 3PX 0.05144 -0.27421 0.01859 0.02012 0.32892 114 3PY -0.03797 -0.04763 -0.18482 0.09212 -0.03825 115 3PZ -0.00286 -0.29374 -0.16538 -0.24566 -0.02359 116 4XX -0.77689 -0.32393 0.50634 0.99747 -0.55936 117 4YY -0.69178 -0.27544 0.44666 0.87316 -0.64037 118 4ZZ -0.76266 -0.32120 0.52657 0.98249 -0.51935 119 4XY 0.01171 0.00356 -0.02670 -0.04986 0.03219 120 4XZ -0.01774 -0.06141 -0.00866 0.06509 -0.00592 121 4YZ -0.00492 0.02031 0.00696 0.00397 -0.00791 122 16 C 1S -0.19124 -0.07309 0.14497 0.25577 0.11801 123 2S 1.22971 0.54298 -0.63299 -1.30945 -0.92802 124 2PX -0.05207 -0.01531 0.00531 0.01097 0.03723 125 2PY -0.06980 -0.06630 -0.00619 0.03774 -0.08655 126 2PZ -0.03582 -0.00414 0.04877 0.08642 0.03192 127 3S 0.46849 -0.12317 -0.41142 -1.23923 -0.31650 128 3PX 0.05239 -0.27411 0.01862 0.02031 -0.32894 129 3PY 0.03756 0.04765 0.18477 -0.09208 -0.03839 130 3PZ -0.00171 -0.29366 -0.16535 -0.24565 0.02347 131 4XX -0.77647 -0.32383 0.50631 0.99713 0.55984 132 4YY -0.69126 -0.27532 0.44665 0.87277 0.64080 133 4ZZ -0.76227 -0.32112 0.52654 0.98218 0.51982 134 4XY -0.01172 -0.00355 0.02671 0.04984 0.03222 135 4XZ -0.01762 -0.06139 -0.00865 0.06509 0.00594 136 4YZ 0.00491 -0.02030 -0.00698 -0.00401 -0.00788 137 17 C 1S 0.06727 -0.05219 -0.40605 0.21142 0.00004 138 2S -0.25850 0.36753 2.24918 -1.34909 -0.00027 139 2PX 0.00836 0.05102 0.11172 -0.04488 0.00000 140 2PY 0.00003 0.00000 -0.00001 0.00001 0.00149 141 2PZ 0.00500 0.06333 0.10704 -0.04126 -0.00001 142 3S -0.67797 -0.51412 2.05252 -1.32761 -0.00029 143 3PX 0.13165 0.20275 -0.09273 -0.02965 -0.00002 144 3PY 0.00015 -0.00001 0.00000 0.00006 -0.14470 145 3PZ 0.09206 0.13828 -0.02566 -0.04806 0.00001 146 4XX 0.21291 -0.22228 -1.53803 0.88424 0.00017 147 4YY 0.23209 -0.21063 -1.73885 0.98636 0.00021 148 4ZZ 0.22402 -0.24151 -1.56267 0.85023 0.00017 149 4XY 0.00002 0.00000 0.00000 0.00000 -0.00712 150 4XZ -0.03893 -0.03602 -0.03275 0.07872 0.00002 151 4YZ 0.00005 0.00001 -0.00001 0.00002 -0.00641 152 18 H 1S 0.09940 0.01258 -0.08134 -0.07092 -0.08959 153 2S -0.18679 -0.17307 0.01673 0.20806 0.13732 154 19 H 1S 0.00028 0.06921 0.08072 -0.02110 0.00000 155 2S 0.12993 0.03799 -0.44936 0.33218 0.00005 156 20 H 1S 0.09947 0.01259 -0.08133 -0.07095 0.08958 157 2S -0.18714 -0.17311 0.01670 0.20813 -0.13717 158 21 O 1S -0.01908 -0.09698 0.06211 -0.11347 0.05522 159 2S -0.04219 -0.20522 -0.03613 -0.09088 0.03456 160 2PX -0.03445 -0.00232 0.04229 0.04607 -0.02268 161 2PY -0.00366 -0.02748 0.05068 -0.07971 0.03100 162 2PZ -0.03321 -0.00122 0.03422 0.01606 -0.02039 163 3S 0.27866 1.47855 -0.67430 1.52499 -0.68472 164 3PX -0.02145 -0.14843 0.04649 -0.11362 -0.04068 165 3PY 0.10438 0.36465 0.07395 0.10063 -0.06045 166 3PZ 0.01833 -0.05703 0.08279 0.00385 0.00985 167 4XX -0.00451 -0.26623 0.16923 -0.44032 0.23237 168 4YY -0.07149 -0.25374 0.41464 -0.46445 0.18858 169 4ZZ -0.03560 -0.31340 0.17546 -0.43521 0.19899 170 4XY -0.04952 -0.01899 0.14328 -0.02005 -0.03239 171 4XZ 0.06892 0.07564 0.01356 -0.13459 0.04369 172 4YZ -0.02827 0.01126 0.14874 -0.02478 -0.02478 173 22 O 1S -0.01876 -0.09696 0.06211 -0.11343 -0.05530 174 2S -0.04170 -0.20518 -0.03613 -0.09084 -0.03463 175 2PX -0.03451 -0.00232 0.04229 0.04604 0.02271 176 2PY 0.00353 0.02748 -0.05069 0.07968 0.03104 177 2PZ -0.03321 -0.00121 0.03421 0.01606 0.02041 178 3S 0.27435 1.47830 -0.67429 1.52444 0.68570 179 3PX -0.02074 -0.14838 0.04649 -0.11363 0.04057 180 3PY -0.10370 -0.36459 -0.07397 -0.10057 -0.06051 181 3PZ 0.01866 -0.05705 0.08278 0.00383 -0.00990 182 4XX -0.00355 -0.26618 0.16922 -0.44015 -0.23263 183 4YY -0.07048 -0.25369 0.41468 -0.46431 -0.18885 184 4ZZ -0.03450 -0.31335 0.17542 -0.43504 -0.19927 185 4XY 0.04938 0.01897 -0.14328 0.02009 -0.03238 186 4XZ 0.06873 0.07562 0.01354 -0.13456 -0.04375 187 4YZ 0.02819 -0.01126 -0.14869 0.02480 -0.02477 188 23 H 1S 0.00423 0.05859 0.08718 -0.02326 0.00000 189 2S 0.07091 -0.04011 -0.42391 0.27721 0.00007 186 187 188 189 V V V V Eigenvalues -- 4.44855 4.48938 4.64964 4.87450 1 1 C 1S 0.04289 0.24216 -0.03732 -0.11021 2 2S -0.21267 -1.19011 0.29984 0.33657 3 2PX 0.09760 0.08942 -0.01813 -0.05850 4 2PY -0.08018 0.11209 -0.02020 0.02658 5 2PZ 0.08310 0.06553 -0.01298 -0.07666 6 3S -0.59606 -2.23776 0.13792 3.99600 7 3PX -0.15493 -0.42210 -0.08812 1.25048 8 3PY 0.05353 -0.47957 -0.09255 0.81424 9 3PZ -0.11880 -0.33638 -0.07178 1.24696 10 4XX 0.21942 0.88222 -0.17558 -0.40022 11 4YY 0.18399 1.09645 -0.25470 -0.47311 12 4ZZ 0.22501 0.90356 -0.16771 -0.40654 13 4XY -0.10514 -0.05593 0.05223 0.12982 14 4XZ 0.07639 0.02436 -0.04121 -0.07579 15 4YZ -0.07638 -0.05260 -0.00128 0.11044 16 2 C 1S 0.04276 -0.24220 0.03733 0.11020 17 2S -0.21196 1.19027 -0.29985 -0.33653 18 2PX 0.09757 -0.08945 0.01814 0.05849 19 2PY 0.08023 0.11209 -0.02019 0.02656 20 2PZ 0.08308 -0.06554 0.01299 0.07664 21 3S -0.59519 2.23803 -0.13805 -3.99584 22 3PX -0.15485 0.42215 0.08809 -1.25041 23 3PY -0.05371 -0.47966 -0.09262 0.81455 24 3PZ -0.11877 0.33635 0.07176 -1.24672 25 4XX 0.21896 -0.88239 0.17561 0.40018 26 4YY 0.18331 -1.09656 0.25470 0.47300 27 4ZZ 0.22452 -0.90373 0.16774 0.40652 28 4XY 0.10509 -0.05598 0.05224 0.12982 29 4XZ 0.07641 -0.02440 0.04123 0.07582 30 4YZ 0.07635 -0.05265 -0.00126 0.11044 31 3 C 1S -0.31025 0.01771 -0.06331 -0.39733 32 2S 1.68141 -0.20910 0.63560 0.86940 33 2PX 0.01698 -0.06179 0.02301 -0.03923 34 2PY 0.09742 -0.04326 0.02358 0.23824 35 2PZ 0.00165 -0.06095 0.02872 0.00257 36 3S 2.08482 -0.18148 0.58251 5.57638 37 3PX 0.10544 0.23117 -0.07569 0.02209 38 3PY -0.20660 0.16626 -0.01716 -2.17166 39 3PZ 0.09625 0.15237 0.18160 0.16661 40 4XX -1.20519 0.20763 -0.35231 -1.24848 41 4YY -1.18932 0.11241 -0.29734 -1.23892 42 4ZZ -1.30376 0.06102 -0.44331 -1.26355 43 4XY -0.03524 0.04979 0.04074 -0.05448 44 4XZ -0.10804 0.04980 -0.03866 -0.08153 45 4YZ 0.01146 0.09009 0.02061 -0.02980 46 4 C 1S 0.16792 0.21051 0.29789 0.02104 47 2S -0.86731 -1.00749 -1.24075 -0.07128 48 2PX -0.01013 -0.02446 0.02140 -0.03683 49 2PY 0.02354 -0.03248 -0.02924 0.01345 50 2PZ -0.07696 -0.03357 -0.10518 0.09485 51 3S -1.27539 -1.69250 -2.92546 -2.19408 52 3PX 0.00805 0.11117 -0.25111 0.69967 53 3PY -0.12526 0.16545 0.45995 0.12976 54 3PZ 0.23315 0.09182 0.38965 0.65261 55 4XX 0.64178 0.75609 1.00220 0.04235 56 4YY 0.57627 0.86662 1.18725 0.08417 57 4ZZ 0.75166 0.74102 1.07430 0.10630 58 4XY -0.02897 -0.02892 -0.00097 -0.03450 59 4XZ 0.05155 -0.00088 0.01516 0.05014 60 4YZ -0.09805 -0.01052 -0.07548 -0.09366 61 5 C 1S 0.16794 -0.21055 -0.29787 -0.02105 62 2S -0.86744 1.00770 1.24068 0.07129 63 2PX -0.01013 0.02445 -0.02140 0.03684 64 2PY -0.02352 -0.03248 -0.02925 0.01346 65 2PZ -0.07698 0.03358 0.10516 -0.09484 66 3S -1.27529 1.69289 2.92534 2.19410 67 3PX 0.00798 -0.11114 0.25111 -0.69979 68 3PY 0.12520 0.16542 0.46001 0.12995 69 3PZ 0.23311 -0.09186 -0.38956 -0.65258 70 4XX 0.64186 -0.75626 -1.00214 -0.04237 71 4YY 0.57632 -0.86676 -1.18717 -0.08416 72 4ZZ 0.75175 -0.74121 -1.07424 -0.10634 73 4XY 0.02895 -0.02894 -0.00098 -0.03451 74 4XZ 0.05157 0.00085 -0.01516 -0.05015 75 4YZ 0.09801 -0.01057 -0.07548 -0.09367 76 6 C 1S -0.31019 -0.01762 0.06326 0.39733 77 2S 1.68133 0.20860 -0.63531 -0.86952 78 2PX 0.01701 0.06179 -0.02302 0.03928 79 2PY -0.09743 -0.04324 0.02358 0.23825 80 2PZ 0.00166 0.06094 -0.02870 -0.00256 81 3S 2.08443 0.18086 -0.58220 -5.57633 82 3PX 0.10538 -0.23117 0.07565 -0.02222 83 3PY 0.20650 0.16624 -0.01716 -2.17175 84 3PZ 0.09627 -0.15242 -0.18163 -0.16692 85 4XX -1.20508 -0.20725 0.35209 1.24857 86 4YY -1.18918 -0.11210 0.29712 1.23894 87 4ZZ -1.30365 -0.06063 0.44310 1.26360 88 4XY 0.03527 0.04979 0.04074 -0.05450 89 4XZ -0.10809 -0.04975 0.03867 0.08150 90 4YZ -0.01140 0.09008 0.02058 -0.02981 91 7 H 1S 0.00536 -0.07286 0.00562 0.04269 92 2S 0.02416 0.06607 -0.11391 0.30472 93 8 H 1S 0.00540 0.07288 -0.00561 -0.04268 94 2S 0.02408 -0.06609 0.11393 -0.30471 95 9 H 1S 0.05468 -0.03350 0.00482 0.08320 96 2S -0.30000 -0.04594 -0.07295 0.13424 97 10 H 1S -0.01869 -0.00394 0.06358 0.04795 98 2S 0.21762 0.17491 0.41158 -0.18180 99 11 H 1S -0.01869 0.00394 -0.06358 -0.04795 100 2S 0.21766 -0.17500 -0.41155 0.18187 101 12 H 1S 0.05468 0.03348 -0.00482 -0.08321 102 2S -0.29997 0.04604 0.07287 -0.13430 103 13 H 1S -0.01388 -0.00441 0.00311 -0.14580 104 2S 0.13793 -0.27348 -0.14870 -0.16921 105 14 H 1S -0.01386 0.00441 -0.00311 0.14580 106 2S 0.13796 0.27346 0.14871 0.16920 107 15 C 1S 0.00628 -0.17834 0.24162 -0.21134 108 2S 0.16547 0.98144 -0.91679 0.15183 109 2PX -0.00816 -0.01937 -0.00522 0.08696 110 2PY -0.00338 -0.09665 0.10306 -0.04913 111 2PZ -0.01513 -0.02680 0.11075 -0.04973 112 3S -0.34562 1.01632 -3.28344 5.19150 113 3PX 0.09551 -0.41281 -0.36039 0.33749 114 3PY 0.12768 0.07963 -1.05928 1.23541 115 3PZ -0.04673 -0.34439 -0.93880 1.67704 116 4XX -0.07587 -0.72292 0.85736 -0.48343 117 4YY -0.01754 -0.85065 0.97519 -0.67520 118 4ZZ -0.02175 -0.68689 0.83966 -0.56724 119 4XY -0.01694 0.02067 0.00858 -0.00886 120 4XZ 0.01703 -0.07022 -0.00944 0.01514 121 4YZ 0.00894 0.04285 -0.04806 0.04244 122 16 C 1S 0.00635 0.17838 -0.24164 0.21137 123 2S 0.16519 -0.98164 0.91688 -0.15181 124 2PX -0.00812 0.01937 0.00523 -0.08694 125 2PY 0.00335 -0.09665 0.10307 -0.04915 126 2PZ -0.01511 0.02678 -0.11073 0.04972 127 3S -0.34613 -1.01647 3.28358 -5.19175 128 3PX 0.09577 0.41277 0.36041 -0.33746 129 3PY -0.12755 0.07957 -1.05938 1.23576 130 3PZ -0.04668 0.34442 0.93859 -1.67689 131 4XX -0.07563 0.72308 -0.85743 0.48345 132 4YY -0.01725 0.85076 -0.97524 0.67524 133 4ZZ -0.02152 0.68704 -0.83974 0.56734 134 4XY 0.01695 0.02065 0.00858 -0.00885 135 4XZ 0.01707 0.07023 0.00945 -0.01512 136 4YZ -0.00892 0.04289 -0.04809 0.04245 137 17 C 1S -0.08856 0.00001 -0.00001 -0.00001 138 2S 0.39730 -0.00004 0.00006 0.00001 139 2PX 0.04049 0.00000 0.00000 0.00001 140 2PY 0.00000 -0.01239 0.02392 -0.07388 141 2PZ -0.00768 0.00000 0.00000 -0.00001 142 3S 0.79228 -0.00009 0.00015 0.00005 143 3PX -0.21492 0.00001 -0.00003 -0.00005 144 3PY 0.00000 -0.15131 0.07410 -0.10253 145 3PZ 0.06638 -0.00002 -0.00002 0.00002 146 4XX -0.33181 0.00003 -0.00005 -0.00001 147 4YY -0.33317 0.00003 -0.00006 -0.00001 148 4ZZ -0.31745 0.00003 -0.00005 -0.00002 149 4XY 0.00000 0.01473 0.01885 0.00688 150 4XZ 0.00223 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00054 0.02225 -0.04354 152 18 H 1S 0.03107 0.03386 0.07909 0.01538 153 2S 0.07588 0.31718 0.14404 -0.19365 154 19 H 1S -0.02597 0.00000 0.00000 0.00000 155 2S -0.23867 0.00003 -0.00002 -0.00004 156 20 H 1S 0.03106 -0.03386 -0.07909 -0.01541 157 2S 0.07580 -0.31715 -0.14410 0.19368 158 21 O 1S 0.02236 0.02128 -0.07048 0.15852 159 2S 0.01389 -0.04390 -0.12992 0.41030 160 2PX 0.00746 -0.03174 0.02760 -0.06401 161 2PY 0.01803 0.02825 -0.03199 0.06991 162 2PZ 0.01783 -0.00969 0.01486 -0.00948 163 3S -0.30003 -0.07592 1.41404 -3.01401 164 3PX -0.05704 -0.15160 -0.21140 0.68370 165 3PY -0.08059 0.00417 0.18138 -0.45741 166 3PZ -0.09213 -0.14392 -0.03799 0.20511 167 4XX 0.09184 0.15347 -0.24684 0.44254 168 4YY 0.09714 0.07901 -0.24807 0.51718 169 4ZZ 0.06797 0.10310 -0.25748 0.55317 170 4XY 0.02037 -0.06397 0.02901 0.03262 171 4XZ 0.02573 0.09105 -0.09141 -0.00222 172 4YZ 0.01582 -0.05792 0.02231 -0.00447 173 22 O 1S 0.02238 -0.02129 0.07049 -0.15851 174 2S 0.01395 0.04388 0.12994 -0.41029 175 2PX 0.00745 0.03174 -0.02760 0.06401 176 2PY -0.01804 0.02826 -0.03199 0.06990 177 2PZ 0.01783 0.00970 -0.01487 0.00949 178 3S -0.30038 0.07616 -1.41428 3.01392 179 3PX -0.05694 0.15160 0.21143 -0.68372 180 3PY 0.08066 0.00410 0.18138 -0.45736 181 3PZ -0.09204 0.14393 0.03802 -0.20517 182 4XX 0.09189 -0.15355 0.24689 -0.44252 183 4YY 0.09723 -0.07905 0.24813 -0.51715 184 4ZZ 0.06804 -0.10317 0.25754 -0.55315 185 4XY -0.02040 -0.06396 0.02899 0.03262 186 4XZ 0.02568 -0.09107 0.09141 0.00222 187 4YZ -0.01584 -0.05792 0.02232 -0.00448 188 23 H 1S 0.02024 0.00000 0.00000 0.00000 189 2S -0.02663 0.00001 -0.00001 0.00002 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX 0.00133 0.00226 0.36896 4 2PY 0.00053 0.00162 0.00011 0.41335 5 2PZ -0.00083 0.00777 0.03332 -0.00266 0.39023 6 3S -0.16067 0.24765 -0.01951 0.01122 -0.02946 7 3PX 0.00664 -0.02275 0.18141 0.01273 -0.07522 8 3PY 0.00378 -0.01621 0.01322 0.13842 -0.02578 9 3PZ 0.00494 -0.01459 -0.05969 -0.00573 0.16792 10 4XX -0.01431 -0.00947 0.00801 -0.00593 -0.00344 11 4YY -0.01700 -0.00308 -0.00427 0.01307 -0.00039 12 4ZZ -0.01612 -0.00535 -0.00689 -0.01026 -0.00257 13 4XY -0.00088 0.00123 -0.00498 0.00025 -0.01075 14 4XZ -0.00455 0.00944 -0.00068 -0.00920 -0.00219 15 4YZ -0.00203 0.00342 -0.00949 -0.00195 -0.01031 16 2 C 1S 0.01672 -0.03254 0.00479 -0.07797 -0.00360 17 2S -0.03254 0.05577 -0.01027 0.16058 0.00093 18 2PX 0.00479 -0.01029 0.11575 -0.00851 -0.08835 19 2PY 0.07797 -0.16058 0.00848 -0.31236 -0.00042 20 2PZ -0.00359 0.00090 -0.08835 0.00037 0.08703 21 3S -0.00468 0.03451 -0.00798 0.12660 0.05754 22 3PX 0.00094 0.00532 0.08532 -0.01487 -0.03725 23 3PY 0.01400 -0.04349 0.01551 -0.09114 -0.01192 24 3PZ -0.00371 0.00939 -0.04786 -0.01856 0.07391 25 4XX 0.00249 -0.00552 0.00010 -0.00873 -0.00017 26 4YY -0.00695 0.01218 0.00108 0.00580 0.00050 27 4ZZ 0.00269 -0.00612 0.00091 -0.00925 -0.00155 28 4XY -0.00016 -0.00021 -0.01297 -0.00146 0.00018 29 4XZ 0.00058 -0.00150 0.00061 -0.00312 0.00043 30 4YZ -0.00018 -0.00010 -0.00005 0.00022 -0.01358 31 3 C 1S -0.00340 0.00831 0.00083 0.01224 0.00587 32 2S 0.00823 -0.01879 -0.00174 -0.03290 -0.01501 33 2PX -0.00832 0.02655 -0.00638 0.03169 0.02711 34 2PY -0.01167 0.02675 0.00246 0.03373 0.00710 35 2PZ -0.00446 0.01369 0.02038 0.01505 -0.00551 36 3S 0.00597 -0.02038 -0.03769 -0.02416 -0.04545 37 3PX -0.00436 0.01394 -0.00491 0.01849 0.03621 38 3PY -0.00283 0.01068 0.00152 -0.00564 0.01117 39 3PZ -0.00411 0.00852 0.03958 0.02545 -0.01414 40 4XX 0.00055 -0.00122 -0.00654 -0.00245 0.00490 41 4YY -0.00184 0.00439 0.00163 0.00978 0.00043 42 4ZZ 0.00071 -0.00116 0.00388 -0.00241 -0.00350 43 4XY -0.00099 0.00185 -0.00106 0.00569 0.00147 44 4XZ 0.00063 -0.00122 0.00247 -0.00138 -0.00179 45 4YZ -0.00075 0.00145 0.00231 0.00452 -0.00111 46 4 C 1S -0.00267 0.00503 0.00128 0.00375 0.00577 47 2S 0.00479 -0.00883 0.00214 -0.00681 -0.01508 48 2PX -0.00207 0.00443 -0.00674 0.00762 0.00880 49 2PY -0.00390 0.00856 0.02849 -0.01161 0.00380 50 2PZ -0.00787 0.01255 -0.01133 0.02367 0.02038 51 3S 0.01324 -0.02297 -0.02356 -0.03017 -0.00946 52 3PX -0.00105 0.00171 -0.00051 0.00182 0.00166 53 3PY -0.00348 0.00737 0.02761 -0.00891 -0.00192 54 3PZ -0.00485 0.00736 -0.00614 0.02432 0.00453 55 4XX -0.00029 0.00034 -0.00037 -0.00022 0.00077 56 4YY -0.00010 0.00024 0.00061 0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 0.00010 -0.00197 0.00059 58 4XY 0.00007 -0.00035 -0.00023 0.00100 -0.00059 59 4XZ 0.00019 -0.00044 0.00102 -0.00088 -0.00064 60 4YZ 0.00020 -0.00081 -0.00129 0.00015 -0.00008 61 5 C 1S -0.00301 0.00562 0.00514 -0.00155 0.01145 62 2S 0.00650 -0.01506 -0.01443 0.00592 -0.02805 63 2PX -0.00839 0.02186 -0.00070 -0.01088 0.03289 64 2PY -0.00131 0.00318 0.00228 0.00421 0.00689 65 2PZ -0.01208 0.03132 0.04903 -0.00703 0.02308 66 3S 0.00759 -0.01648 0.00176 -0.01090 -0.07811 67 3PX -0.00454 0.00903 -0.00130 -0.00744 0.01496 68 3PY -0.00411 0.00872 0.00734 0.00450 0.02096 69 3PZ -0.00802 0.01863 0.04076 0.00837 0.02260 70 4XX -0.00114 0.00235 -0.00086 -0.00219 0.00525 71 4YY 0.00068 -0.00152 -0.00310 0.00171 -0.00200 72 4ZZ -0.00030 0.00017 0.00630 -0.00096 -0.00132 73 4XY 0.00024 -0.00073 -0.00134 -0.00013 0.00012 74 4XZ -0.00130 0.00293 -0.00157 -0.00304 0.00928 75 4YZ 0.00054 -0.00141 -0.00384 0.00173 -0.00056 76 6 C 1S 0.01788 -0.03602 -0.05991 0.03621 -0.04301 77 2S -0.03384 0.06176 0.12165 -0.07536 0.08348 78 2PX 0.05514 -0.11748 0.00710 0.13526 -0.24256 79 2PY -0.03906 0.07546 0.13786 -0.05075 0.06404 80 2PZ 0.04364 -0.08981 -0.21172 0.08013 -0.01517 81 3S -0.00917 0.03347 0.13110 -0.05001 0.09079 82 3PX 0.01230 -0.03508 0.04975 0.06232 -0.12906 83 3PY -0.00984 0.02573 0.05357 -0.00540 0.02376 84 3PZ 0.00436 -0.01208 -0.09569 0.03267 0.02875 85 4XX -0.00196 0.00317 -0.01090 -0.00515 0.00700 86 4YY 0.00153 -0.00338 -0.00154 0.01234 -0.00144 87 4ZZ 0.00017 -0.00118 0.00180 -0.00099 -0.01328 88 4XY 0.00334 -0.00665 -0.00345 -0.00259 -0.00806 89 4XZ -0.00415 0.00766 0.00321 -0.00661 0.00046 90 4YZ 0.00299 -0.00599 -0.00806 -0.00166 -0.00179 91 7 H 1S -0.06016 0.11224 -0.13264 -0.13074 -0.18750 92 2S -0.01303 0.02496 -0.12150 -0.11783 -0.18088 93 8 H 1S 0.01228 -0.02562 0.01875 -0.04294 0.01318 94 2S 0.01464 -0.02568 0.03388 -0.08633 0.03936 95 9 H 1S -0.00849 0.01865 0.00146 0.03521 0.00130 96 2S -0.01195 0.02528 0.01056 0.06878 0.00305 97 10 H 1S -0.00059 0.00017 0.00193 0.00229 -0.00060 98 2S -0.00092 -0.00024 0.00532 0.00698 -0.00760 99 11 H 1S -0.00759 0.01927 0.00234 -0.01533 0.03244 100 2S -0.01116 0.02904 -0.00205 -0.02105 0.07096 101 12 H 1S 0.01211 -0.02454 -0.02455 0.03576 -0.01201 102 2S 0.01361 -0.02471 -0.04780 0.07142 -0.01045 103 13 H 1S 0.00158 -0.00347 0.02933 0.00309 -0.02866 104 2S 0.00142 -0.00405 0.02929 -0.00013 -0.02535 105 14 H 1S -0.00137 0.00184 -0.00285 -0.00018 0.00657 106 2S -0.00228 0.00336 -0.01502 -0.00379 0.01956 107 15 C 1S -0.00178 0.00269 0.00919 0.00007 -0.00379 108 2S 0.00265 -0.00452 -0.02100 0.00007 0.01059 109 2PX -0.00503 0.01913 0.03137 0.00231 -0.00561 110 2PY -0.00170 0.00504 0.01828 0.00155 -0.01159 111 2PZ 0.00224 -0.00609 -0.00581 -0.00213 -0.00874 112 3S 0.00362 -0.01131 -0.05396 0.00009 0.02764 113 3PX -0.00660 0.01009 0.00585 0.00333 0.00107 114 3PY -0.00256 0.00680 0.01975 -0.00114 -0.01112 115 3PZ 0.00154 -0.01149 -0.02471 -0.00222 -0.00968 116 4XX -0.00079 0.00083 0.00598 0.00039 -0.00412 117 4YY -0.00013 -0.00023 -0.00212 0.00021 0.00109 118 4ZZ -0.00029 0.00012 -0.00135 0.00021 0.00082 119 4XY 0.00016 -0.00026 0.00434 0.00101 -0.00386 120 4XZ -0.00048 0.00093 -0.00196 -0.00047 0.00187 121 4YZ 0.00029 -0.00044 -0.00517 -0.00091 0.00430 122 16 C 1S -0.00069 0.00137 0.01090 0.00262 -0.00738 123 2S 0.00058 -0.00173 -0.02273 -0.00401 0.01701 124 2PX -0.00297 0.00820 0.07781 0.01577 -0.05629 125 2PY -0.00009 -0.00136 -0.01163 -0.00430 0.01176 126 2PZ 0.00128 -0.00391 -0.05906 -0.01022 0.04327 127 3S 0.00390 -0.00677 -0.05258 -0.01291 0.03694 128 3PX -0.00129 0.00638 0.05986 0.01205 -0.04003 129 3PY -0.00151 0.00183 -0.02887 -0.00198 0.02421 130 3PZ 0.00188 -0.00093 -0.04678 -0.01428 0.04462 131 4XX -0.00022 0.00029 0.00077 0.00019 0.00000 132 4YY -0.00006 0.00020 -0.00040 0.00036 0.00041 133 4ZZ -0.00029 0.00039 0.00168 0.00028 -0.00081 134 4XY 0.00007 -0.00073 -0.00112 -0.00003 -0.00003 135 4XZ -0.00015 0.00017 0.00113 0.00034 -0.00071 136 4YZ -0.00021 0.00063 0.00166 0.00047 -0.00061 137 17 C 1S -0.00034 0.00050 0.00186 -0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00525 0.00021 0.00168 139 2PX -0.00089 0.00226 0.00498 -0.00063 -0.00144 140 2PY -0.00109 0.00156 0.00103 -0.00156 0.00201 141 2PZ 0.00031 0.00003 0.00697 0.00135 -0.00801 142 3S 0.00165 -0.00332 -0.01103 0.00436 0.00235 143 3PX 0.00030 -0.00055 0.00236 -0.00139 -0.00356 144 3PY -0.00028 0.00057 0.00141 -0.00024 -0.00166 145 3PZ -0.00027 0.00123 0.01150 0.00190 -0.00958 146 4XX -0.00023 0.00067 0.00161 -0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 -0.00012 0.00031 149 4XY -0.00002 0.00031 -0.00120 -0.00028 0.00135 150 4XZ -0.00002 0.00015 0.00061 0.00025 -0.00047 151 4YZ 0.00011 -0.00011 0.00132 0.00029 -0.00148 152 18 H 1S 0.00040 -0.00107 0.00591 -0.00079 -0.00432 153 2S 0.00059 -0.00059 0.02537 -0.00061 -0.01694 154 19 H 1S 0.00063 -0.00138 -0.00487 -0.00007 0.00085 155 2S 0.00066 -0.00226 -0.01323 -0.00430 0.00872 156 20 H 1S 0.00083 -0.00296 -0.02683 -0.00212 0.02058 157 2S 0.00005 -0.00132 -0.01967 -0.00411 0.00494 158 21 O 1S 0.00025 -0.00140 -0.00322 0.00047 0.00086 159 2S -0.00129 0.00318 0.00263 -0.00153 0.00027 160 2PX 0.00317 -0.01246 -0.00852 0.00184 -0.00689 161 2PY 0.00082 0.00223 0.00005 0.00069 -0.00066 162 2PZ -0.00062 0.00105 0.00172 0.00194 0.00447 163 3S 0.00114 0.00790 0.03872 -0.00182 -0.01427 164 3PX 0.00189 -0.01050 -0.01370 0.00021 -0.00372 165 3PY 0.00093 0.00179 0.00430 0.00012 -0.00181 166 3PZ -0.00173 0.00208 -0.00206 0.00177 0.00527 167 4XX -0.00008 -0.00055 -0.00230 -0.00019 0.00099 168 4YY -0.00033 -0.00005 -0.00142 -0.00003 0.00070 169 4ZZ -0.00035 0.00000 -0.00131 -0.00040 0.00115 170 4XY 0.00003 -0.00064 -0.00059 0.00017 -0.00032 171 4XZ 0.00017 0.00006 0.00018 -0.00001 0.00009 172 4YZ -0.00007 -0.00021 -0.00132 -0.00016 0.00089 173 22 O 1S 0.00003 0.00038 -0.00239 -0.00041 0.00198 174 2S 0.00010 -0.00105 0.00426 0.00032 -0.00298 175 2PX 0.00146 -0.00392 -0.04302 -0.00710 0.03014 176 2PY 0.00082 0.00067 0.00102 -0.00082 -0.00199 177 2PZ -0.00083 0.00296 0.03259 0.00412 -0.02205 178 3S -0.00062 -0.00217 0.01711 0.00387 -0.01807 179 3PX 0.00134 -0.00261 -0.03878 -0.00824 0.03032 180 3PY 0.00076 0.00013 0.00031 -0.00031 -0.00156 181 3PZ -0.00103 0.00346 0.03012 0.00421 -0.01983 182 4XX 0.00009 -0.00010 -0.00275 -0.00069 0.00236 183 4YY 0.00004 0.00005 -0.00045 -0.00012 0.00073 184 4ZZ 0.00015 -0.00011 0.00128 -0.00009 -0.00096 185 4XY -0.00003 0.00009 0.00141 0.00026 -0.00123 186 4XZ 0.00002 -0.00004 0.00042 0.00002 -0.00035 187 4YZ -0.00002 0.00009 -0.00003 0.00013 0.00002 188 23 H 1S -0.00094 0.00273 0.00763 0.00023 -0.00253 189 2S -0.00199 0.00547 0.01684 0.00112 -0.00555 6 7 8 9 10 6 3S 0.25010 7 3PX -0.00529 0.11999 8 3PY 0.00772 0.02131 0.06237 9 3PZ -0.01272 -0.06577 -0.01395 0.09329 10 4XX -0.00562 0.00526 0.00006 -0.00248 0.00092 11 4YY -0.00311 -0.00157 0.00297 0.00079 -0.00023 12 4ZZ -0.00246 -0.00264 -0.00301 0.00046 0.00022 13 4XY 0.00261 0.00016 -0.00037 -0.00330 -0.00019 14 4XZ 0.00814 -0.00040 -0.00261 -0.00111 -0.00007 15 4YZ 0.00706 -0.00159 0.00072 -0.00212 0.00003 16 2 C 1S -0.00467 0.00094 -0.01400 -0.00371 0.00249 17 2S 0.03450 0.00532 0.04348 0.00940 -0.00552 18 2PX -0.00799 0.08532 -0.01552 -0.04785 0.00010 19 2PY -0.12660 0.01486 -0.09114 0.01854 0.00873 20 2PZ 0.05752 -0.03725 0.01190 0.07392 -0.00017 21 3S -0.01750 -0.01592 0.01404 0.02529 -0.00630 22 3PX -0.01591 0.04729 -0.01987 -0.03344 -0.00086 23 3PY -0.01404 0.01987 -0.01363 0.00058 0.00383 24 3PZ 0.02529 -0.03343 -0.00058 0.04481 0.00015 25 4XX -0.00630 -0.00086 -0.00383 0.00015 0.00022 26 4YY 0.01205 -0.00009 0.00269 -0.00090 -0.00029 27 4ZZ -0.00574 0.00114 -0.00259 -0.00106 0.00036 28 4XY 0.00225 -0.00623 -0.00083 0.00341 -0.00031 29 4XZ -0.00359 0.00029 -0.00186 0.00022 0.00000 30 4YZ 0.00428 0.00435 0.00192 -0.00545 0.00020 31 3 C 1S -0.00303 -0.00672 0.00510 -0.00511 0.00018 32 2S -0.01977 0.00622 -0.01885 -0.00130 -0.00040 33 2PX -0.05034 -0.04989 -0.02123 -0.00966 -0.00314 34 2PY 0.09133 0.00085 0.05079 -0.00106 0.00096 35 2PZ -0.01050 0.00961 0.00766 -0.02947 0.00187 36 3S -0.00894 -0.00720 -0.01228 -0.00387 0.00001 37 3PX -0.03723 -0.03354 -0.01960 0.00655 -0.00305 38 3PY 0.02368 -0.00135 0.00591 0.00062 -0.00037 39 3PZ 0.01302 0.03089 0.01855 -0.02248 0.00162 40 4XX -0.00039 -0.00409 -0.00039 0.00388 0.00008 41 4YY 0.00672 0.00057 0.00498 -0.00061 -0.00015 42 4ZZ -0.00419 0.00209 -0.00246 -0.00267 0.00001 43 4XY 0.00341 0.00024 0.00201 0.00151 -0.00021 44 4XZ -0.00159 0.00231 -0.00038 -0.00107 0.00001 45 4YZ 0.00237 0.00190 0.00139 -0.00022 -0.00008 46 4 C 1S 0.01091 0.00010 0.00349 0.00343 0.00000 47 2S -0.02105 0.00217 -0.00597 -0.00990 0.00002 48 2PX 0.01309 -0.00581 0.01725 0.00097 0.00032 49 2PY 0.01905 0.01994 -0.00708 -0.00332 0.00082 50 2PZ 0.07872 0.00221 0.02449 0.03398 -0.00066 51 3S -0.06110 -0.01893 -0.02945 -0.00436 -0.00151 52 3PX 0.00819 -0.00075 0.00912 -0.00003 0.00052 53 3PY 0.01690 0.01748 -0.00055 -0.00540 0.00108 54 3PZ 0.04098 0.00211 0.01698 0.01557 -0.00033 55 4XX 0.00343 0.00067 0.00109 0.00115 0.00006 56 4YY 0.00111 0.00062 0.00183 -0.00139 0.00004 57 4ZZ -0.00283 -0.00075 -0.00254 0.00033 -0.00006 58 4XY -0.00078 -0.00013 0.00123 -0.00081 -0.00002 59 4XZ 0.00000 0.00164 0.00060 -0.00082 0.00009 60 4YZ 0.00127 0.00001 0.00086 0.00131 0.00003 61 5 C 1S 0.00523 0.00086 -0.00403 0.00806 -0.00046 62 2S -0.00899 0.00033 0.00849 -0.01522 0.00036 63 2PX 0.02770 -0.00836 -0.02936 0.02849 -0.00027 64 2PY -0.00917 -0.00778 0.00647 0.00236 -0.00009 65 2PZ 0.00220 0.01027 -0.03196 -0.00729 -0.00133 66 3S 0.01673 0.02532 0.02144 -0.03850 0.00276 67 3PX 0.00631 -0.00640 -0.01540 0.01190 -0.00006 68 3PY 0.01092 -0.00283 0.00708 0.00932 0.00007 69 3PZ -0.00609 0.00785 -0.01122 -0.00484 -0.00042 70 4XX 0.00156 -0.00185 -0.00296 0.00260 -0.00019 71 4YY -0.00276 -0.00146 -0.00003 -0.00033 -0.00015 72 4ZZ 0.00089 0.00367 0.00188 -0.00192 0.00036 73 4XY -0.00124 -0.00085 0.00104 -0.00037 -0.00004 74 4XZ 0.00203 -0.00284 -0.00236 0.00494 -0.00027 75 4YZ 0.00073 -0.00128 0.00183 0.00127 -0.00005 76 6 C 1S 0.01167 -0.00739 0.00604 0.00475 -0.00160 77 2S 0.01681 0.03362 -0.00949 0.00613 0.00278 78 2PX -0.04582 0.07527 0.09236 -0.09986 0.00836 79 2PY 0.10482 0.06145 0.00967 0.00562 0.00424 80 2PZ -0.05016 -0.08997 0.03206 0.03875 -0.00521 81 3S -0.02631 0.02878 -0.00108 0.00198 0.00396 82 3PX 0.00784 0.06573 0.05178 -0.06092 0.00568 83 3PY 0.01880 0.01760 0.00218 -0.00261 0.00159 84 3PZ -0.00661 -0.05087 -0.00022 0.03335 -0.00483 85 4XX 0.00431 -0.00751 -0.00330 0.00592 -0.00025 86 4YY -0.00596 -0.00072 0.00312 -0.00082 -0.00024 87 4ZZ 0.00227 0.00471 0.00133 -0.00632 0.00025 88 4XY -0.00401 0.00042 0.00006 -0.00233 0.00028 89 4XZ 0.00598 0.00115 -0.00283 -0.00064 -0.00010 90 4YZ -0.00437 -0.00323 0.00034 0.00096 0.00001 91 7 H 1S 0.11509 -0.03242 -0.03911 -0.05972 -0.00192 92 2S 0.05423 -0.01789 -0.02558 -0.05145 0.00069 93 8 H 1S -0.06038 -0.00249 -0.01989 -0.00279 0.00081 94 2S -0.06760 -0.00572 -0.03824 0.00225 0.00160 95 9 H 1S 0.05609 0.00089 0.03258 -0.00069 -0.00029 96 2S 0.06423 0.00666 0.04800 -0.00210 -0.00007 97 10 H 1S 0.01949 0.00704 0.01408 0.00038 0.00055 98 2S 0.02802 0.01615 0.02154 -0.00396 0.00080 99 11 H 1S 0.01770 -0.00668 -0.02873 0.01867 -0.00089 100 2S 0.02303 -0.01668 -0.03781 0.03878 -0.00252 101 12 H 1S -0.06200 -0.01712 0.00230 -0.00667 -0.00145 102 2S -0.05922 -0.02896 0.00593 -0.00121 -0.00308 103 13 H 1S -0.01230 0.01935 0.00436 -0.03019 0.00081 104 2S -0.01121 0.01789 0.00456 -0.02564 0.00164 105 14 H 1S 0.02056 0.00050 -0.00488 0.01533 -0.00054 106 2S 0.01848 -0.01192 -0.00768 0.02316 -0.00055 107 15 C 1S 0.00660 0.00950 -0.00149 -0.00354 -0.00071 108 2S -0.01526 -0.02241 0.00030 0.00661 0.00088 109 2PX -0.01134 0.02166 -0.01372 -0.02091 -0.00527 110 2PY 0.00914 0.01859 -0.00229 -0.01558 -0.00107 111 2PZ -0.00463 -0.01002 0.00721 0.00056 0.00439 112 3S -0.00266 -0.04286 0.01053 0.02490 0.00169 113 3PX -0.00190 0.00789 -0.00921 -0.00564 -0.00394 114 3PY 0.00725 0.01495 -0.00065 -0.01187 -0.00085 115 3PZ 0.00411 -0.01273 0.00996 0.00642 0.00308 116 4XX -0.00147 0.00315 0.00123 -0.00385 0.00026 117 4YY 0.00113 -0.00074 -0.00027 0.00119 -0.00010 118 4ZZ 0.00123 -0.00018 -0.00052 0.00131 -0.00016 119 4XY 0.00143 0.00423 0.00158 -0.00242 0.00005 120 4XZ -0.00108 -0.00206 -0.00124 0.00098 -0.00017 121 4YZ -0.00187 -0.00491 -0.00049 0.00297 -0.00001 122 16 C 1S 0.00207 0.00808 0.00240 -0.00514 -0.00017 123 2S 0.00404 -0.01433 -0.00315 0.01321 0.00011 124 2PX 0.03491 0.07599 0.02114 -0.03844 -0.00104 125 2PY -0.00095 -0.01105 0.00158 0.01328 0.00105 126 2PZ -0.02183 -0.05768 -0.01044 0.03310 0.00011 127 3S -0.01672 -0.04060 -0.01633 0.02604 0.00024 128 3PX 0.01873 0.05287 0.01493 -0.03146 0.00003 129 3PY 0.00030 -0.02555 0.00055 0.01794 0.00019 130 3PZ -0.02369 -0.04984 -0.01446 0.02775 -0.00002 131 4XX -0.00099 -0.00035 -0.00038 0.00045 -0.00005 132 4YY -0.00034 -0.00066 0.00015 -0.00027 0.00002 133 4ZZ 0.00145 0.00195 0.00056 -0.00077 -0.00002 134 4XY 0.00062 -0.00072 0.00100 0.00075 0.00027 135 4XZ 0.00230 0.00173 0.00120 0.00001 0.00005 136 4YZ 0.00015 0.00124 -0.00023 -0.00098 -0.00026 137 17 C 1S 0.00279 0.00243 -0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00496 0.00172 0.00179 0.00027 139 2PX 0.01184 0.00676 -0.00378 -0.00029 -0.00038 140 2PY 0.00972 0.00403 -0.00216 0.00347 -0.00025 141 2PZ -0.00517 0.00459 0.00088 -0.00842 -0.00017 142 3S -0.00761 -0.00955 0.00351 0.00353 0.00052 143 3PX 0.00088 0.00233 -0.00134 -0.00239 0.00000 144 3PY -0.00171 0.00067 -0.00043 -0.00242 0.00004 145 3PZ 0.00308 0.01173 0.00035 -0.00790 -0.00057 146 4XX 0.00205 0.00194 -0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 -0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 0.00042 -0.00013 0.00010 149 4XY -0.00118 -0.00160 -0.00109 0.00084 -0.00006 150 4XZ -0.00047 0.00030 0.00028 -0.00039 -0.00001 151 4YZ -0.00189 0.00040 0.00074 -0.00206 0.00009 152 18 H 1S 0.00813 0.00940 0.00345 -0.00179 0.00094 153 2S 0.00618 0.02184 0.00528 -0.01228 0.00117 154 19 H 1S -0.01205 -0.00794 0.00186 -0.00143 0.00039 155 2S -0.01735 -0.01859 0.00056 0.00369 0.00096 156 20 H 1S -0.00649 -0.02164 -0.00339 0.01689 -0.00102 157 2S -0.00200 -0.01156 -0.00512 0.00920 -0.00140 158 21 O 1S 0.00079 -0.00142 0.00426 0.00192 0.00007 159 2S -0.00745 -0.00210 -0.00989 -0.00330 -0.00017 160 2PX -0.01265 -0.00816 0.01628 -0.00863 0.00236 161 2PY -0.03844 -0.01578 0.00469 -0.01122 0.00047 162 2PZ 0.04571 0.02053 -0.00926 0.01854 -0.00184 163 3S 0.00169 0.02451 -0.01278 -0.01832 -0.00011 164 3PX -0.01066 -0.01123 0.01247 -0.00387 0.00200 165 3PY -0.02536 -0.00767 0.00281 -0.00921 0.00036 166 3PZ 0.03137 0.01283 -0.00865 0.01390 -0.00202 167 4XX 0.00069 -0.00147 0.00013 0.00155 0.00013 168 4YY -0.00216 -0.00173 0.00044 0.00007 0.00000 169 4ZZ -0.00044 -0.00103 -0.00032 0.00067 -0.00012 170 4XY 0.00004 -0.00020 0.00066 -0.00002 0.00009 171 4XZ -0.00101 -0.00032 -0.00012 -0.00034 -0.00002 172 4YZ 0.00163 -0.00030 -0.00037 0.00151 -0.00002 173 22 O 1S -0.00544 -0.00315 -0.00232 0.00044 0.00000 174 2S 0.01365 0.00674 0.00621 0.00084 0.00009 175 2PX -0.02271 -0.04386 -0.01548 0.02318 0.00031 176 2PY -0.01674 -0.00767 -0.00397 -0.01234 0.00001 177 2PZ 0.01045 0.03158 0.00332 -0.02613 -0.00068 178 3S 0.01897 0.01955 0.00642 -0.00832 -0.00044 179 3PX -0.01852 -0.03920 -0.01308 0.02231 0.00021 180 3PY -0.01304 -0.00583 -0.00227 -0.00875 0.00012 181 3PZ 0.01211 0.02958 0.00471 -0.02175 -0.00053 182 4XX -0.00048 -0.00241 -0.00063 0.00160 0.00002 183 4YY 0.00033 -0.00017 0.00018 0.00088 0.00002 184 4ZZ -0.00012 0.00105 0.00029 -0.00081 0.00007 185 4XY 0.00098 0.00170 0.00061 -0.00083 -0.00003 186 4XZ 0.00059 0.00058 0.00016 -0.00001 0.00001 187 4YZ 0.00005 -0.00005 -0.00005 0.00032 -0.00003 188 23 H 1S 0.01090 0.00930 -0.00200 -0.00085 -0.00050 189 2S 0.01796 0.01862 -0.00258 -0.00355 -0.00101 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 0.00032 0.00095 14 4XZ -0.00048 0.00026 0.00017 0.00067 15 4YZ -0.00014 0.00011 0.00042 0.00028 0.00117 16 2 C 1S -0.00695 0.00269 0.00016 0.00058 0.00018 17 2S 0.01218 -0.00612 0.00021 -0.00150 0.00010 18 2PX 0.00108 0.00091 0.01297 0.00061 0.00005 19 2PY -0.00580 0.00925 -0.00146 0.00312 0.00021 20 2PZ 0.00050 -0.00154 -0.00018 0.00043 0.01358 21 3S 0.01205 -0.00574 -0.00225 -0.00359 -0.00428 22 3PX -0.00009 0.00114 0.00623 0.00029 -0.00435 23 3PY -0.00269 0.00259 -0.00083 0.00186 0.00192 24 3PZ -0.00090 -0.00105 -0.00341 0.00022 0.00545 25 4XX -0.00029 0.00036 0.00031 0.00000 -0.00020 26 4YY -0.00016 -0.00028 -0.00013 0.00023 0.00009 27 4ZZ -0.00028 0.00033 -0.00028 0.00005 -0.00003 28 4XY 0.00013 0.00028 0.00043 0.00005 0.00050 29 4XZ 0.00023 0.00005 -0.00005 0.00004 -0.00011 30 4YZ -0.00009 0.00003 0.00050 0.00011 0.00081 31 3 C 1S -0.00096 -0.00025 -0.00180 -0.00008 -0.00116 32 2S 0.00214 0.00080 0.00376 0.00016 0.00224 33 2PX -0.00147 0.00075 0.00179 -0.00173 -0.01077 34 2PY -0.00421 -0.00076 -0.00591 0.00001 -0.00219 35 2PZ -0.00324 -0.00147 -0.00819 -0.00049 0.00079 36 3S 0.00135 0.00112 0.00563 0.00037 0.00433 37 3PX 0.00079 0.00046 0.00236 -0.00133 -0.00703 38 3PY -0.00088 0.00001 -0.00276 -0.00020 -0.00146 39 3PZ -0.00087 -0.00208 -0.00456 -0.00042 0.00175 40 4XX 0.00005 -0.00004 -0.00039 -0.00001 0.00032 41 4YY -0.00003 -0.00027 -0.00013 -0.00009 -0.00012 42 4ZZ -0.00001 0.00015 0.00015 -0.00001 -0.00047 43 4XY 0.00031 -0.00018 0.00009 -0.00005 0.00023 44 4XZ 0.00021 0.00003 0.00008 0.00004 0.00001 45 4YZ 0.00023 -0.00018 0.00029 -0.00004 0.00003 46 4 C 1S -0.00020 -0.00037 0.00004 0.00009 0.00021 47 2S 0.00036 0.00057 -0.00040 -0.00017 -0.00066 48 2PX 0.00065 -0.00085 -0.00037 -0.00006 0.00122 49 2PY -0.00190 0.00047 0.00034 0.00073 -0.00083 50 2PZ 0.00059 -0.00074 0.00159 0.00000 0.00020 51 3S 0.00205 0.00193 0.00050 -0.00079 -0.00335 52 3PX -0.00004 -0.00043 -0.00021 0.00014 0.00073 53 3PY -0.00223 0.00055 0.00015 0.00102 -0.00066 54 3PZ 0.00057 -0.00068 0.00145 -0.00003 0.00060 55 4XX 0.00000 -0.00005 -0.00006 0.00003 0.00020 56 4YY -0.00008 0.00000 -0.00012 0.00001 0.00000 57 4ZZ 0.00004 0.00005 0.00026 -0.00002 -0.00013 58 4XY 0.00002 0.00008 0.00008 0.00002 0.00000 59 4XZ 0.00005 -0.00005 -0.00014 0.00004 0.00038 60 4YZ -0.00008 0.00019 0.00027 0.00018 0.00006 61 5 C 1S 0.00081 -0.00156 -0.00079 -0.00073 -0.00027 62 2S -0.00158 0.00302 0.00173 0.00157 0.00069 63 2PX 0.00138 -0.00377 -0.00102 -0.00129 -0.00015 64 2PY 0.00124 -0.00210 -0.00250 -0.00115 0.00024 65 2PZ 0.00397 -0.00733 -0.00401 -0.00608 -0.00074 66 3S -0.00435 0.00350 0.00172 0.00278 0.00357 67 3PX 0.00070 -0.00170 -0.00039 -0.00059 -0.00016 68 3PY -0.00008 -0.00119 -0.00209 -0.00025 -0.00024 69 3PZ 0.00203 -0.00435 -0.00270 -0.00305 -0.00127 70 4XX 0.00007 -0.00013 -0.00006 -0.00013 -0.00012 71 4YY 0.00035 -0.00005 0.00000 -0.00017 -0.00008 72 4ZZ -0.00033 0.00002 -0.00010 0.00024 0.00004 73 4XY 0.00002 0.00015 0.00001 0.00004 -0.00002 74 4XZ -0.00010 0.00019 0.00001 0.00023 -0.00032 75 4YZ 0.00011 0.00019 0.00008 0.00012 -0.00005 76 6 C 1S 0.00118 -0.00024 0.00373 -0.00330 0.00332 77 2S -0.00344 0.00008 -0.00671 0.00637 -0.00626 78 2PX 0.00219 -0.00219 0.00235 -0.00296 0.00857 79 2PY -0.01331 0.00190 0.00163 0.00724 0.00162 80 2PZ 0.00246 0.01017 0.00838 0.00074 0.00096 81 3S -0.00287 -0.00161 -0.00854 0.00402 -0.00762 82 3PX -0.00025 -0.00269 -0.00001 -0.00054 0.00548 83 3PY -0.00408 -0.00056 0.00027 0.00162 0.00013 84 3PZ 0.00198 0.00448 0.00455 0.00042 -0.00162 85 4XX -0.00020 0.00012 0.00005 0.00004 0.00034 86 4YY 0.00096 -0.00047 -0.00024 -0.00056 -0.00029 87 4ZZ -0.00037 0.00030 0.00056 0.00018 0.00043 88 4XY -0.00009 0.00028 0.00027 -0.00003 0.00026 89 4XZ -0.00031 0.00010 0.00010 0.00045 -0.00003 90 4YZ 0.00002 0.00044 0.00010 0.00005 0.00013 91 7 H 1S -0.00407 0.00551 0.00785 0.00828 0.01087 92 2S -0.00362 0.00647 0.00774 0.00608 0.01062 93 8 H 1S 0.00186 0.00079 -0.00512 -0.00002 -0.00716 94 2S -0.00151 0.00192 -0.00529 0.00049 -0.00783 95 9 H 1S -0.00127 -0.00082 -0.00167 -0.00027 -0.00090 96 2S -0.00118 -0.00192 -0.00249 -0.00048 -0.00055 97 10 H 1S 0.00013 -0.00008 0.00000 0.00035 0.00131 98 2S 0.00006 -0.00013 -0.00028 0.00060 0.00304 99 11 H 1S 0.00033 -0.00156 -0.00015 -0.00073 -0.00083 100 2S 0.00077 -0.00124 -0.00046 -0.00081 -0.00265 101 12 H 1S 0.00806 -0.00273 -0.00411 -0.00313 -0.00349 102 2S 0.00889 -0.00329 -0.00215 -0.00474 -0.00262 103 13 H 1S -0.00014 -0.00072 -0.00062 -0.00133 0.00077 104 2S -0.00013 -0.00169 -0.00141 -0.00151 0.00146 105 14 H 1S -0.00031 0.00069 0.00159 0.00023 -0.00150 106 2S -0.00064 0.00071 0.00181 0.00036 -0.00143 107 15 C 1S 0.00004 -0.00029 0.00017 0.00039 -0.00066 108 2S -0.00016 0.00024 -0.00053 -0.00088 0.00094 109 2PX 0.00263 0.00290 0.00297 0.00048 -0.00435 110 2PY 0.00085 0.00015 0.00044 0.00018 -0.00114 111 2PZ -0.00130 -0.00243 -0.00268 0.00039 0.00363 112 3S -0.00170 0.00040 -0.00083 -0.00036 0.00243 113 3PX 0.00184 0.00224 0.00266 0.00043 -0.00313 114 3PY -0.00011 0.00090 0.00134 0.00057 -0.00123 115 3PZ -0.00116 -0.00129 -0.00150 0.00028 0.00359 116 4XX -0.00010 -0.00022 -0.00008 0.00007 0.00014 117 4YY 0.00008 0.00001 0.00001 -0.00004 -0.00004 118 4ZZ 0.00007 0.00017 0.00011 0.00001 -0.00009 119 4XY 0.00004 -0.00002 -0.00003 0.00000 0.00001 120 4XZ 0.00010 0.00012 0.00007 -0.00003 -0.00009 121 4YZ -0.00007 0.00000 0.00001 -0.00008 0.00002 122 16 C 1S -0.00007 -0.00009 0.00015 0.00014 -0.00012 123 2S 0.00011 0.00011 -0.00041 -0.00022 0.00031 124 2PX 0.00086 0.00078 0.00032 0.00094 -0.00042 125 2PY -0.00089 -0.00044 -0.00083 0.00028 0.00109 126 2PZ -0.00024 -0.00055 0.00062 -0.00048 -0.00030 127 3S 0.00068 -0.00088 -0.00199 -0.00100 0.00083 128 3PX 0.00029 0.00002 -0.00069 0.00051 0.00006 129 3PY -0.00078 0.00009 -0.00034 0.00015 0.00064 130 3PZ -0.00031 -0.00039 -0.00057 -0.00056 -0.00063 131 4XX 0.00003 -0.00002 0.00023 0.00002 -0.00018 132 4YY 0.00000 -0.00001 -0.00009 -0.00003 0.00004 133 4ZZ -0.00001 0.00004 -0.00008 0.00004 0.00003 134 4XY -0.00012 -0.00015 -0.00017 0.00000 0.00028 135 4XZ -0.00001 -0.00003 -0.00010 0.00003 0.00011 136 4YZ 0.00010 0.00014 0.00022 -0.00001 -0.00028 137 17 C 1S -0.00001 -0.00005 0.00008 0.00009 -0.00010 138 2S -0.00017 0.00000 -0.00016 -0.00011 0.00026 139 2PX 0.00030 0.00020 0.00014 0.00023 -0.00037 140 2PY -0.00004 -0.00020 -0.00006 0.00024 -0.00019 141 2PZ 0.00010 0.00011 0.00029 0.00014 -0.00024 142 3S -0.00031 -0.00026 -0.00027 -0.00021 0.00048 143 3PX -0.00001 0.00012 0.00013 0.00011 -0.00014 144 3PY 0.00003 -0.00003 -0.00009 0.00008 0.00011 145 3PZ 0.00029 0.00067 0.00046 0.00021 -0.00057 146 4XX 0.00009 0.00013 0.00005 0.00004 -0.00009 147 4YY -0.00002 0.00000 -0.00001 -0.00002 -0.00002 148 4ZZ -0.00006 -0.00011 -0.00004 -0.00001 0.00009 149 4XY 0.00004 0.00008 0.00006 -0.00002 -0.00010 150 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 151 4YZ -0.00003 -0.00004 -0.00007 -0.00001 0.00012 152 18 H 1S -0.00043 -0.00017 -0.00129 0.00016 0.00121 153 2S -0.00052 -0.00024 -0.00125 0.00024 0.00070 154 19 H 1S -0.00023 -0.00041 -0.00014 -0.00006 0.00038 155 2S -0.00051 -0.00114 -0.00053 -0.00017 0.00089 156 20 H 1S 0.00002 0.00110 0.00076 -0.00068 -0.00058 157 2S 0.00026 0.00140 0.00166 -0.00025 -0.00089 158 21 O 1S -0.00006 -0.00013 0.00001 -0.00007 0.00018 159 2S 0.00022 0.00056 0.00003 0.00008 -0.00030 160 2PX -0.00167 -0.00253 -0.00170 -0.00035 0.00253 161 2PY 0.00014 0.00020 -0.00006 -0.00047 0.00051 162 2PZ 0.00100 0.00209 0.00139 0.00009 -0.00235 163 3S 0.00019 0.00009 -0.00011 0.00016 -0.00123 164 3PX -0.00128 -0.00180 -0.00141 -0.00017 0.00239 165 3PY 0.00012 0.00005 -0.00014 -0.00034 0.00031 166 3PZ 0.00108 0.00199 0.00138 0.00012 -0.00209 167 4XX -0.00005 -0.00002 -0.00009 0.00000 0.00014 168 4YY 0.00002 0.00003 0.00000 -0.00002 0.00005 169 4ZZ 0.00001 0.00007 0.00009 0.00001 -0.00008 170 4XY -0.00007 -0.00009 -0.00006 0.00000 0.00010 171 4XZ 0.00001 0.00003 0.00001 -0.00002 -0.00002 172 4YZ 0.00000 0.00006 0.00002 0.00001 -0.00002 173 22 O 1S -0.00004 0.00000 -0.00015 -0.00004 0.00002 174 2S 0.00004 -0.00011 0.00016 0.00009 0.00007 175 2PX -0.00041 -0.00058 0.00003 -0.00051 -0.00033 176 2PY 0.00024 0.00028 0.00001 -0.00026 -0.00006 177 2PZ 0.00034 0.00066 -0.00025 0.00007 -0.00020 178 3S 0.00028 0.00054 0.00178 0.00022 -0.00067 179 3PX -0.00031 -0.00046 -0.00025 -0.00043 -0.00025 180 3PY 0.00018 0.00004 -0.00020 -0.00024 0.00007 181 3PZ 0.00030 0.00051 -0.00043 0.00015 -0.00008 182 4XX -0.00002 -0.00001 -0.00007 -0.00002 0.00004 183 4YY -0.00002 -0.00004 -0.00007 0.00000 0.00003 184 4ZZ -0.00002 -0.00003 -0.00009 0.00001 0.00008 185 4XY 0.00003 0.00003 0.00002 0.00002 0.00001 186 4XZ 0.00000 0.00000 0.00001 0.00001 0.00001 187 4YZ 0.00002 0.00000 0.00006 0.00000 -0.00005 188 23 H 1S 0.00037 0.00047 0.00021 0.00017 -0.00044 189 2S 0.00070 0.00082 0.00047 0.00027 -0.00086 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.06213 0.32496 18 2PX 0.00133 0.00226 0.36896 19 2PY -0.00053 -0.00162 -0.00011 0.41335 20 2PZ -0.00083 0.00777 0.03332 0.00266 0.39023 21 3S -0.16067 0.24766 -0.01951 -0.01121 -0.02946 22 3PX 0.00664 -0.02275 0.18141 -0.01273 -0.07523 23 3PY -0.00378 0.01622 -0.01321 0.13842 0.02579 24 3PZ 0.00494 -0.01458 -0.05969 0.00573 0.16793 25 4XX -0.01431 -0.00947 0.00801 0.00593 -0.00344 26 4YY -0.01700 -0.00308 -0.00428 -0.01307 -0.00040 27 4ZZ -0.01612 -0.00535 -0.00689 0.01026 -0.00256 28 4XY 0.00088 -0.00123 0.00497 0.00024 0.01075 29 4XZ -0.00455 0.00944 -0.00068 0.00920 -0.00219 30 4YZ 0.00203 -0.00343 0.00949 -0.00196 0.01031 31 3 C 1S 0.01788 -0.03602 -0.05991 -0.03620 -0.04301 32 2S -0.03384 0.06175 0.12167 0.07533 0.08348 33 2PX 0.05515 -0.11749 0.00706 -0.13523 -0.24259 34 2PY 0.03904 -0.07543 -0.13783 -0.05070 -0.06402 35 2PZ 0.04365 -0.08982 -0.21174 -0.08011 -0.01518 36 3S -0.00917 0.03346 0.13112 0.04999 0.09079 37 3PX 0.01230 -0.03508 0.04973 -0.06231 -0.12908 38 3PY 0.00984 -0.02572 -0.05356 -0.00538 -0.02376 39 3PZ 0.00436 -0.01209 -0.09570 -0.03267 0.02873 40 4XX -0.00196 0.00317 -0.01089 0.00515 0.00700 41 4YY 0.00153 -0.00338 -0.00154 -0.01234 -0.00144 42 4ZZ 0.00017 -0.00118 0.00180 0.00099 -0.01328 43 4XY -0.00334 0.00665 0.00346 -0.00260 0.00806 44 4XZ -0.00415 0.00766 0.00321 0.00661 0.00047 45 4YZ -0.00299 0.00599 0.00806 -0.00167 0.00180 46 4 C 1S -0.00301 0.00562 0.00514 0.00155 0.01145 47 2S 0.00650 -0.01506 -0.01443 -0.00591 -0.02805 48 2PX -0.00839 0.02186 -0.00070 0.01087 0.03289 49 2PY 0.00131 -0.00319 -0.00229 0.00421 -0.00689 50 2PZ -0.01208 0.03132 0.04903 0.00702 0.02308 51 3S 0.00759 -0.01648 0.00176 0.01090 -0.07811 52 3PX -0.00454 0.00902 -0.00130 0.00744 0.01495 53 3PY 0.00411 -0.00873 -0.00735 0.00450 -0.02097 54 3PZ -0.00802 0.01863 0.04076 -0.00837 0.02259 55 4XX -0.00114 0.00235 -0.00086 0.00219 0.00525 56 4YY 0.00068 -0.00152 -0.00310 -0.00171 -0.00200 57 4ZZ -0.00030 0.00017 0.00630 0.00096 -0.00132 58 4XY -0.00024 0.00073 0.00134 -0.00013 -0.00012 59 4XZ -0.00130 0.00293 -0.00156 0.00304 0.00928 60 4YZ -0.00054 0.00141 0.00384 0.00173 0.00056 61 5 C 1S -0.00267 0.00503 0.00128 -0.00375 0.00577 62 2S 0.00479 -0.00883 0.00214 0.00681 -0.01508 63 2PX -0.00207 0.00443 -0.00674 -0.00763 0.00880 64 2PY 0.00390 -0.00856 -0.02849 -0.01160 -0.00381 65 2PZ -0.00787 0.01255 -0.01134 -0.02367 0.02038 66 3S 0.01324 -0.02298 -0.02356 0.03018 -0.00945 67 3PX -0.00105 0.00172 -0.00051 -0.00182 0.00167 68 3PY 0.00348 -0.00737 -0.02761 -0.00890 0.00192 69 3PZ -0.00485 0.00736 -0.00616 -0.02432 0.00453 70 4XX -0.00029 0.00034 -0.00037 0.00022 0.00077 71 4YY -0.00010 0.00024 0.00060 -0.00192 -0.00177 72 4ZZ 0.00024 -0.00041 0.00010 0.00197 0.00059 73 4XY -0.00007 0.00035 0.00023 0.00100 0.00059 74 4XZ 0.00019 -0.00044 0.00102 0.00088 -0.00064 75 4YZ -0.00020 0.00082 0.00129 0.00015 0.00008 76 6 C 1S -0.00340 0.00831 0.00083 -0.01224 0.00587 77 2S 0.00823 -0.01879 -0.00173 0.03290 -0.01501 78 2PX -0.00832 0.02655 -0.00639 -0.03169 0.02711 79 2PY 0.01167 -0.02675 -0.00246 0.03374 -0.00710 80 2PZ -0.00446 0.01369 0.02038 -0.01505 -0.00551 81 3S 0.00597 -0.02038 -0.03770 0.02417 -0.04545 82 3PX -0.00436 0.01394 -0.00492 -0.01849 0.03621 83 3PY 0.00283 -0.01068 -0.00154 -0.00563 -0.01117 84 3PZ -0.00411 0.00852 0.03958 -0.02546 -0.01414 85 4XX 0.00055 -0.00122 -0.00654 0.00245 0.00490 86 4YY -0.00184 0.00439 0.00163 -0.00978 0.00043 87 4ZZ 0.00071 -0.00116 0.00388 0.00242 -0.00350 88 4XY 0.00099 -0.00185 0.00106 0.00569 -0.00147 89 4XZ 0.00063 -0.00122 0.00247 0.00138 -0.00179 90 4YZ 0.00075 -0.00145 -0.00232 0.00452 0.00111 91 7 H 1S 0.01228 -0.02562 0.01875 0.04294 0.01319 92 2S 0.01464 -0.02568 0.03388 0.08632 0.03938 93 8 H 1S -0.06016 0.11224 -0.13263 0.13078 -0.18748 94 2S -0.01303 0.02496 -0.12149 0.11787 -0.18086 95 9 H 1S 0.01211 -0.02453 -0.02455 -0.03575 -0.01201 96 2S 0.01361 -0.02471 -0.04781 -0.07141 -0.01046 97 10 H 1S -0.00760 0.01927 0.00234 0.01532 0.03244 98 2S -0.01116 0.02904 -0.00204 0.02105 0.07097 99 11 H 1S -0.00059 0.00017 0.00193 -0.00229 -0.00061 100 2S -0.00092 -0.00024 0.00533 -0.00699 -0.00761 101 12 H 1S -0.00849 0.01865 0.00145 -0.03521 0.00130 102 2S -0.01195 0.02528 0.01055 -0.06878 0.00305 103 13 H 1S -0.00137 0.00184 -0.00285 0.00018 0.00657 104 2S -0.00228 0.00336 -0.01502 0.00379 0.01956 105 14 H 1S 0.00158 -0.00348 0.02932 -0.00310 -0.02866 106 2S 0.00142 -0.00405 0.02928 0.00013 -0.02535 107 15 C 1S -0.00069 0.00137 0.01089 -0.00262 -0.00738 108 2S 0.00058 -0.00173 -0.02273 0.00401 0.01701 109 2PX -0.00297 0.00820 0.07783 -0.01577 -0.05630 110 2PY 0.00009 0.00136 0.01164 -0.00430 -0.01177 111 2PZ 0.00128 -0.00390 -0.05908 0.01022 0.04329 112 3S 0.00390 -0.00677 -0.05256 0.01290 0.03694 113 3PX -0.00129 0.00638 0.05987 -0.01205 -0.04005 114 3PY 0.00151 -0.00183 0.02889 -0.00199 -0.02422 115 3PZ 0.00188 -0.00093 -0.04678 0.01428 0.04463 116 4XX -0.00022 0.00029 0.00077 -0.00019 0.00000 117 4YY -0.00006 0.00020 -0.00040 -0.00036 0.00041 118 4ZZ -0.00029 0.00039 0.00168 -0.00028 -0.00081 119 4XY -0.00007 0.00073 0.00112 -0.00003 0.00003 120 4XZ -0.00015 0.00017 0.00113 -0.00034 -0.00071 121 4YZ 0.00021 -0.00063 -0.00166 0.00047 0.00061 122 16 C 1S -0.00178 0.00269 0.00920 -0.00007 -0.00379 123 2S 0.00265 -0.00452 -0.02100 -0.00007 0.01059 124 2PX -0.00503 0.01913 0.03138 -0.00231 -0.00561 125 2PY 0.00170 -0.00504 -0.01828 0.00154 0.01159 126 2PZ 0.00224 -0.00609 -0.00582 0.00214 -0.00874 127 3S 0.00362 -0.01131 -0.05399 -0.00008 0.02766 128 3PX -0.00660 0.01009 0.00586 -0.00333 0.00106 129 3PY 0.00256 -0.00680 -0.01974 -0.00115 0.01112 130 3PZ 0.00154 -0.01149 -0.02473 0.00223 -0.00967 131 4XX -0.00079 0.00083 0.00598 -0.00039 -0.00412 132 4YY -0.00013 -0.00023 -0.00213 -0.00021 0.00109 133 4ZZ -0.00029 0.00012 -0.00135 -0.00021 0.00082 134 4XY -0.00016 0.00026 -0.00434 0.00101 0.00386 135 4XZ -0.00048 0.00093 -0.00196 0.00047 0.00187 136 4YZ -0.00029 0.00044 0.00517 -0.00091 -0.00430 137 17 C 1S -0.00034 0.00050 0.00186 0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00525 -0.00021 0.00168 139 2PX -0.00089 0.00226 0.00498 0.00063 -0.00144 140 2PY 0.00109 -0.00156 -0.00103 -0.00156 -0.00201 141 2PZ 0.00031 0.00003 0.00697 -0.00135 -0.00801 142 3S 0.00165 -0.00332 -0.01103 -0.00436 0.00236 143 3PX 0.00030 -0.00055 0.00236 0.00139 -0.00356 144 3PY 0.00028 -0.00057 -0.00141 -0.00024 0.00166 145 3PZ -0.00027 0.00123 0.01151 -0.00190 -0.00959 146 4XX -0.00023 0.00067 0.00161 0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 -0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 0.00012 0.00031 149 4XY 0.00002 -0.00031 0.00120 -0.00028 -0.00135 150 4XZ -0.00002 0.00015 0.00061 -0.00025 -0.00047 151 4YZ -0.00011 0.00011 -0.00132 0.00029 0.00148 152 18 H 1S 0.00083 -0.00296 -0.02683 0.00212 0.02059 153 2S 0.00005 -0.00132 -0.01968 0.00412 0.00495 154 19 H 1S 0.00063 -0.00138 -0.00488 0.00007 0.00085 155 2S 0.00066 -0.00226 -0.01324 0.00430 0.00872 156 20 H 1S 0.00040 -0.00107 0.00591 0.00079 -0.00432 157 2S 0.00059 -0.00059 0.02537 0.00061 -0.01694 158 21 O 1S 0.00003 0.00038 -0.00239 0.00041 0.00198 159 2S 0.00010 -0.00105 0.00426 -0.00032 -0.00298 160 2PX 0.00146 -0.00392 -0.04303 0.00710 0.03015 161 2PY -0.00082 -0.00068 -0.00103 -0.00082 0.00200 162 2PZ -0.00083 0.00296 0.03260 -0.00412 -0.02206 163 3S -0.00062 -0.00217 0.01711 -0.00387 -0.01807 164 3PX 0.00134 -0.00261 -0.03879 0.00824 0.03033 165 3PY -0.00076 -0.00013 -0.00031 -0.00031 0.00157 166 3PZ -0.00103 0.00346 0.03013 -0.00422 -0.01984 167 4XX 0.00009 -0.00010 -0.00275 0.00069 0.00236 168 4YY 0.00004 0.00005 -0.00045 0.00012 0.00073 169 4ZZ 0.00015 -0.00011 0.00128 0.00009 -0.00096 170 4XY 0.00003 -0.00009 -0.00141 0.00026 0.00123 171 4XZ 0.00002 -0.00004 0.00042 -0.00002 -0.00035 172 4YZ 0.00002 -0.00009 0.00003 0.00013 -0.00002 173 22 O 1S 0.00025 -0.00140 -0.00322 -0.00047 0.00086 174 2S -0.00129 0.00318 0.00264 0.00153 0.00028 175 2PX 0.00317 -0.01246 -0.00852 -0.00185 -0.00690 176 2PY -0.00082 -0.00223 -0.00005 0.00070 0.00066 177 2PZ -0.00062 0.00105 0.00172 -0.00194 0.00447 178 3S 0.00114 0.00790 0.03873 0.00182 -0.01428 179 3PX 0.00189 -0.01050 -0.01371 -0.00021 -0.00372 180 3PY -0.00093 -0.00179 -0.00430 0.00012 0.00181 181 3PZ -0.00173 0.00208 -0.00206 -0.00177 0.00527 182 4XX -0.00008 -0.00055 -0.00230 0.00019 0.00099 183 4YY -0.00033 -0.00005 -0.00142 0.00003 0.00070 184 4ZZ -0.00035 0.00000 -0.00131 0.00040 0.00115 185 4XY -0.00003 0.00064 0.00059 0.00017 0.00032 186 4XZ 0.00017 0.00006 0.00018 0.00001 0.00009 187 4YZ 0.00007 0.00021 0.00132 -0.00016 -0.00089 188 23 H 1S -0.00094 0.00273 0.00763 -0.00023 -0.00253 189 2S -0.00200 0.00547 0.01684 -0.00112 -0.00555 21 22 23 24 25 21 3S 0.25011 22 3PX -0.00529 0.12000 23 3PY -0.00771 -0.02130 0.06237 24 3PZ -0.01272 -0.06578 0.01396 0.09330 25 4XX -0.00562 0.00525 -0.00006 -0.00248 0.00092 26 4YY -0.00311 -0.00157 -0.00297 0.00079 -0.00023 27 4ZZ -0.00246 -0.00263 0.00301 0.00046 0.00022 28 4XY -0.00261 -0.00016 -0.00037 0.00330 0.00019 29 4XZ 0.00814 -0.00040 0.00261 -0.00111 -0.00007 30 4YZ -0.00706 0.00159 0.00072 0.00212 -0.00003 31 3 C 1S 0.01167 -0.00739 -0.00604 0.00476 -0.00160 32 2S 0.01681 0.03363 0.00949 0.00612 0.00278 33 2PX -0.04584 0.07524 -0.09235 -0.09988 0.00836 34 2PY -0.10481 -0.06145 0.00969 -0.00562 -0.00424 35 2PZ -0.05018 -0.08998 -0.03205 0.03875 -0.00521 36 3S -0.02633 0.02878 0.00107 0.00197 0.00396 37 3PX 0.00784 0.06572 -0.05178 -0.06094 0.00568 38 3PY -0.01879 -0.01759 0.00218 0.00261 -0.00159 39 3PZ -0.00661 -0.05086 0.00022 0.03335 -0.00484 40 4XX 0.00431 -0.00751 0.00330 0.00592 -0.00025 41 4YY -0.00597 -0.00072 -0.00312 -0.00082 -0.00024 42 4ZZ 0.00227 0.00471 -0.00133 -0.00632 0.00025 43 4XY 0.00401 -0.00042 0.00006 0.00233 -0.00028 44 4XZ 0.00598 0.00115 0.00283 -0.00064 -0.00010 45 4YZ 0.00437 0.00323 0.00034 -0.00096 -0.00001 46 4 C 1S 0.00523 0.00086 0.00403 0.00806 -0.00046 47 2S -0.00899 0.00033 -0.00849 -0.01522 0.00036 48 2PX 0.02771 -0.00835 0.02935 0.02850 -0.00027 49 2PY 0.00916 0.00778 0.00646 -0.00236 0.00009 50 2PZ 0.00221 0.01027 0.03196 -0.00729 -0.00133 51 3S 0.01673 0.02533 -0.02144 -0.03851 0.00276 52 3PX 0.00631 -0.00640 0.01540 0.01190 -0.00006 53 3PY -0.01092 0.00283 0.00708 -0.00932 -0.00007 54 3PZ -0.00610 0.00785 0.01123 -0.00484 -0.00042 55 4XX 0.00156 -0.00185 0.00296 0.00260 -0.00019 56 4YY -0.00276 -0.00146 0.00003 -0.00033 -0.00015 57 4ZZ 0.00089 0.00367 -0.00188 -0.00192 0.00036 58 4XY 0.00124 0.00085 0.00104 0.00037 0.00004 59 4XZ 0.00203 -0.00284 0.00236 0.00494 -0.00027 60 4YZ -0.00073 0.00128 0.00183 -0.00127 0.00005 61 5 C 1S 0.01091 0.00010 -0.00349 0.00343 0.00000 62 2S -0.02105 0.00217 0.00597 -0.00990 0.00002 63 2PX 0.01310 -0.00581 -0.01726 0.00097 0.00032 64 2PY -0.01906 -0.01994 -0.00707 0.00331 -0.00082 65 2PZ 0.07871 0.00220 -0.02449 0.03397 -0.00066 66 3S -0.06110 -0.01893 0.02946 -0.00436 -0.00151 67 3PX 0.00819 -0.00076 -0.00912 -0.00003 0.00052 68 3PY -0.01690 -0.01748 -0.00054 0.00540 -0.00108 69 3PZ 0.04097 0.00210 -0.01698 0.01557 -0.00033 70 4XX 0.00343 0.00067 -0.00109 0.00115 0.00006 71 4YY 0.00111 0.00062 -0.00183 -0.00139 0.00004 72 4ZZ -0.00283 -0.00075 0.00254 0.00033 -0.00006 73 4XY 0.00078 0.00013 0.00123 0.00081 0.00002 74 4XZ 0.00000 0.00164 -0.00060 -0.00082 0.00009 75 4YZ -0.00127 -0.00001 0.00086 -0.00131 -0.00003 76 6 C 1S -0.00303 -0.00672 -0.00510 -0.00511 0.00018 77 2S -0.01977 0.00623 0.01885 -0.00130 -0.00040 78 2PX -0.05035 -0.04990 0.02125 -0.00966 -0.00314 79 2PY -0.09132 -0.00084 0.05080 0.00107 -0.00096 80 2PZ -0.01050 0.00962 -0.00765 -0.02947 0.00187 81 3S -0.00894 -0.00720 0.01228 -0.00387 0.00001 82 3PX -0.03723 -0.03355 0.01961 0.00656 -0.00305 83 3PY -0.02369 0.00135 0.00591 -0.00062 0.00037 84 3PZ 0.01302 0.03089 -0.01855 -0.02248 0.00162 85 4XX -0.00039 -0.00409 0.00039 0.00387 0.00008 86 4YY 0.00672 0.00057 -0.00498 -0.00061 -0.00015 87 4ZZ -0.00420 0.00209 0.00247 -0.00267 0.00001 88 4XY -0.00341 -0.00024 0.00201 -0.00151 0.00021 89 4XZ -0.00159 0.00231 0.00038 -0.00107 0.00001 90 4YZ -0.00237 -0.00190 0.00139 0.00022 0.00008 91 7 H 1S -0.06038 -0.00249 0.01989 -0.00278 0.00081 92 2S -0.06760 -0.00572 0.03824 0.00226 0.00160 93 8 H 1S 0.11509 -0.03241 0.03912 -0.05971 -0.00192 94 2S 0.05423 -0.01788 0.02558 -0.05145 0.00069 95 9 H 1S -0.06201 -0.01713 -0.00229 -0.00667 -0.00145 96 2S -0.05922 -0.02897 -0.00592 -0.00120 -0.00308 97 10 H 1S 0.01770 -0.00667 0.02873 0.01867 -0.00089 98 2S 0.02304 -0.01667 0.03781 0.03879 -0.00252 99 11 H 1S 0.01949 0.00704 -0.01408 0.00038 0.00055 100 2S 0.02802 0.01616 -0.02155 -0.00397 0.00080 101 12 H 1S 0.05609 0.00088 -0.03258 -0.00069 -0.00029 102 2S 0.06422 0.00665 -0.04800 -0.00210 -0.00007 103 13 H 1S 0.02055 0.00050 0.00488 0.01533 -0.00054 104 2S 0.01847 -0.01193 0.00768 0.02316 -0.00055 105 14 H 1S -0.01230 0.01935 -0.00436 -0.03019 0.00081 106 2S -0.01122 0.01788 -0.00456 -0.02563 0.00164 107 15 C 1S 0.00207 0.00808 -0.00240 -0.00513 -0.00017 108 2S 0.00404 -0.01433 0.00315 0.01321 0.00011 109 2PX 0.03492 0.07601 -0.02115 -0.03845 -0.00104 110 2PY 0.00094 0.01106 0.00159 -0.01329 -0.00105 111 2PZ -0.02184 -0.05770 0.01045 0.03310 0.00011 112 3S -0.01673 -0.04059 0.01633 0.02603 0.00024 113 3PX 0.01874 0.05289 -0.01493 -0.03147 0.00003 114 3PY -0.00029 0.02556 0.00054 -0.01795 -0.00019 115 3PZ -0.02370 -0.04985 0.01447 0.02776 -0.00002 116 4XX -0.00099 -0.00035 0.00038 0.00045 -0.00005 117 4YY -0.00034 -0.00066 -0.00015 -0.00027 0.00002 118 4ZZ 0.00145 0.00195 -0.00056 -0.00077 -0.00002 119 4XY -0.00062 0.00072 0.00100 -0.00075 -0.00027 120 4XZ 0.00230 0.00173 -0.00120 0.00001 0.00005 121 4YZ -0.00015 -0.00124 -0.00023 0.00098 0.00026 122 16 C 1S 0.00660 0.00950 0.00149 -0.00354 -0.00071 123 2S -0.01527 -0.02242 -0.00030 0.00661 0.00088 124 2PX -0.01132 0.02167 0.01371 -0.02091 -0.00527 125 2PY -0.00913 -0.01859 -0.00229 0.01558 0.00107 126 2PZ -0.00465 -0.01004 -0.00720 0.00056 0.00439 127 3S -0.00268 -0.04288 -0.01053 0.02491 0.00169 128 3PX -0.00189 0.00790 0.00921 -0.00564 -0.00394 129 3PY -0.00725 -0.01495 -0.00065 0.01187 0.00085 130 3PZ 0.00410 -0.01274 -0.00995 0.00642 0.00308 131 4XX -0.00147 0.00315 -0.00123 -0.00385 0.00026 132 4YY 0.00113 -0.00075 0.00027 0.00119 -0.00010 133 4ZZ 0.00123 -0.00017 0.00052 0.00131 -0.00016 134 4XY -0.00143 -0.00423 0.00158 0.00243 -0.00005 135 4XZ -0.00108 -0.00206 0.00124 0.00098 -0.00017 136 4YZ 0.00187 0.00492 -0.00049 -0.00297 0.00001 137 17 C 1S 0.00279 0.00243 0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00497 -0.00172 0.00179 0.00027 139 2PX 0.01185 0.00677 0.00378 -0.00029 -0.00038 140 2PY -0.00972 -0.00403 -0.00216 -0.00347 0.00025 141 2PZ -0.00517 0.00459 -0.00088 -0.00842 -0.00017 142 3S -0.00761 -0.00955 -0.00351 0.00353 0.00052 143 3PX 0.00088 0.00233 0.00134 -0.00239 0.00000 144 3PY 0.00171 -0.00067 -0.00043 0.00242 -0.00004 145 3PZ 0.00308 0.01174 -0.00035 -0.00790 -0.00057 146 4XX 0.00206 0.00194 0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 -0.00041 -0.00013 0.00010 149 4XY 0.00118 0.00160 -0.00109 -0.00084 0.00006 150 4XZ -0.00047 0.00030 -0.00028 -0.00039 -0.00001 151 4YZ 0.00189 -0.00040 0.00074 0.00206 -0.00009 152 18 H 1S -0.00648 -0.02164 0.00339 0.01690 -0.00102 153 2S -0.00199 -0.01156 0.00512 0.00921 -0.00140 154 19 H 1S -0.01206 -0.00794 -0.00186 -0.00143 0.00039 155 2S -0.01737 -0.01860 -0.00055 0.00368 0.00096 156 20 H 1S 0.00813 0.00940 -0.00345 -0.00179 0.00094 157 2S 0.00618 0.02184 -0.00528 -0.01228 0.00117 158 21 O 1S -0.00543 -0.00315 0.00232 0.00044 0.00000 159 2S 0.01365 0.00674 -0.00621 0.00084 0.00009 160 2PX -0.02273 -0.04387 0.01549 0.02318 0.00031 161 2PY 0.01674 0.00767 -0.00398 0.01234 -0.00001 162 2PZ 0.01046 0.03160 -0.00333 -0.02613 -0.00068 163 3S 0.01897 0.01955 -0.00642 -0.00832 -0.00044 164 3PX -0.01854 -0.03922 0.01309 0.02231 0.00021 165 3PY 0.01305 0.00583 -0.00227 0.00876 -0.00012 166 3PZ 0.01213 0.02960 -0.00471 -0.02175 -0.00053 167 4XX -0.00048 -0.00241 0.00063 0.00160 0.00002 168 4YY 0.00033 -0.00017 -0.00018 0.00088 0.00002 169 4ZZ -0.00012 0.00105 -0.00029 -0.00081 0.00007 170 4XY -0.00099 -0.00170 0.00061 0.00083 0.00003 171 4XZ 0.00059 0.00058 -0.00016 -0.00001 0.00001 172 4YZ -0.00005 0.00005 -0.00005 -0.00032 0.00003 173 22 O 1S 0.00079 -0.00142 -0.00426 0.00192 0.00007 174 2S -0.00745 -0.00210 0.00989 -0.00330 -0.00017 175 2PX -0.01267 -0.00817 -0.01627 -0.00864 0.00236 176 2PY 0.03844 0.01578 0.00469 0.01122 -0.00047 177 2PZ 0.04574 0.02055 0.00925 0.01855 -0.00184 178 3S 0.00170 0.02452 0.01278 -0.01832 -0.00011 179 3PX -0.01068 -0.01124 -0.01247 -0.00387 0.00200 180 3PY 0.02536 0.00767 0.00281 0.00920 -0.00036 181 3PZ 0.03139 0.01284 0.00865 0.01391 -0.00202 182 4XX 0.00069 -0.00147 -0.00013 0.00155 0.00013 183 4YY -0.00216 -0.00173 -0.00044 0.00007 0.00000 184 4ZZ -0.00044 -0.00103 0.00032 0.00067 -0.00012 185 4XY -0.00004 0.00020 0.00066 0.00002 -0.00009 186 4XZ -0.00101 -0.00032 0.00012 -0.00034 -0.00002 187 4YZ -0.00164 0.00030 -0.00037 -0.00151 0.00002 188 23 H 1S 0.01090 0.00930 0.00200 -0.00085 -0.00050 189 2S 0.01798 0.01863 0.00257 -0.00355 -0.00101 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00019 0.00089 28 4XY 0.00000 -0.00032 0.00095 29 4XZ -0.00048 0.00026 -0.00017 0.00067 30 4YZ 0.00014 -0.00011 0.00042 -0.00028 0.00117 31 3 C 1S 0.00118 -0.00024 -0.00373 -0.00330 -0.00332 32 2S -0.00344 0.00008 0.00671 0.00637 0.00625 33 2PX 0.00220 -0.00219 -0.00235 -0.00296 -0.00857 34 2PY 0.01331 -0.00190 0.00163 -0.00724 0.00162 35 2PZ 0.00246 0.01017 -0.00838 0.00074 -0.00096 36 3S -0.00287 -0.00161 0.00854 0.00402 0.00762 37 3PX -0.00025 -0.00269 0.00000 -0.00054 -0.00548 38 3PY 0.00408 0.00056 0.00027 -0.00162 0.00013 39 3PZ 0.00198 0.00448 -0.00454 0.00042 0.00162 40 4XX -0.00020 0.00012 -0.00005 0.00004 -0.00034 41 4YY 0.00096 -0.00047 0.00024 -0.00056 0.00029 42 4ZZ -0.00037 0.00030 -0.00056 0.00018 -0.00043 43 4XY 0.00009 -0.00028 0.00027 0.00003 0.00026 44 4XZ -0.00031 0.00010 -0.00010 0.00045 0.00003 45 4YZ -0.00002 -0.00044 0.00010 -0.00005 0.00013 46 4 C 1S 0.00081 -0.00156 0.00079 -0.00073 0.00027 47 2S -0.00158 0.00302 -0.00173 0.00157 -0.00069 48 2PX 0.00138 -0.00377 0.00102 -0.00129 0.00015 49 2PY -0.00124 0.00210 -0.00250 0.00116 0.00024 50 2PZ 0.00397 -0.00733 0.00402 -0.00607 0.00074 51 3S -0.00435 0.00350 -0.00172 0.00278 -0.00357 52 3PX 0.00070 -0.00170 0.00039 -0.00059 0.00017 53 3PY 0.00008 0.00119 -0.00209 0.00026 -0.00024 54 3PZ 0.00203 -0.00435 0.00271 -0.00305 0.00127 55 4XX 0.00007 -0.00013 0.00006 -0.00013 0.00012 56 4YY 0.00035 -0.00004 0.00000 -0.00017 0.00008 57 4ZZ -0.00033 0.00002 0.00010 0.00024 -0.00004 58 4XY -0.00002 -0.00015 0.00001 -0.00004 -0.00002 59 4XZ -0.00010 0.00019 -0.00001 0.00024 0.00032 60 4YZ -0.00011 -0.00019 0.00008 -0.00013 -0.00005 61 5 C 1S -0.00020 -0.00037 -0.00004 0.00009 -0.00021 62 2S 0.00036 0.00057 0.00040 -0.00017 0.00066 63 2PX 0.00065 -0.00085 0.00037 -0.00006 -0.00122 64 2PY 0.00190 -0.00047 0.00034 -0.00073 -0.00083 65 2PZ 0.00059 -0.00074 -0.00159 0.00000 -0.00020 66 3S 0.00205 0.00193 -0.00050 -0.00079 0.00335 67 3PX -0.00004 -0.00043 0.00021 0.00014 -0.00073 68 3PY 0.00223 -0.00055 0.00015 -0.00102 -0.00066 69 3PZ 0.00057 -0.00069 -0.00145 -0.00003 -0.00060 70 4XX 0.00000 -0.00005 0.00006 0.00003 -0.00020 71 4YY -0.00008 0.00000 0.00012 0.00001 0.00000 72 4ZZ 0.00004 0.00005 -0.00026 -0.00002 0.00013 73 4XY -0.00002 -0.00008 0.00008 -0.00002 0.00000 74 4XZ 0.00005 -0.00005 0.00014 0.00004 -0.00038 75 4YZ 0.00008 -0.00019 0.00027 -0.00018 0.00006 76 6 C 1S -0.00096 -0.00025 0.00180 -0.00008 0.00116 77 2S 0.00214 0.00080 -0.00376 0.00016 -0.00224 78 2PX -0.00147 0.00075 -0.00179 -0.00173 0.01076 79 2PY 0.00422 0.00076 -0.00591 -0.00001 -0.00219 80 2PZ -0.00324 -0.00147 0.00819 -0.00049 -0.00079 81 3S 0.00135 0.00112 -0.00563 0.00036 -0.00433 82 3PX 0.00079 0.00046 -0.00236 -0.00133 0.00703 83 3PY 0.00088 -0.00001 -0.00276 0.00020 -0.00146 84 3PZ -0.00087 -0.00208 0.00456 -0.00042 -0.00175 85 4XX 0.00005 -0.00004 0.00039 -0.00001 -0.00032 86 4YY -0.00003 -0.00027 0.00013 -0.00009 0.00012 87 4ZZ -0.00001 0.00015 -0.00015 -0.00001 0.00047 88 4XY -0.00031 0.00018 0.00009 0.00005 0.00023 89 4XZ 0.00021 0.00003 -0.00008 0.00004 -0.00001 90 4YZ -0.00023 0.00018 0.00029 0.00004 0.00003 91 7 H 1S 0.00186 0.00080 0.00512 -0.00002 0.00716 92 2S -0.00151 0.00192 0.00529 0.00049 0.00783 93 8 H 1S -0.00407 0.00550 -0.00785 0.00827 -0.01087 94 2S -0.00362 0.00647 -0.00774 0.00607 -0.01062 95 9 H 1S 0.00806 -0.00273 0.00411 -0.00313 0.00349 96 2S 0.00889 -0.00329 0.00215 -0.00474 0.00263 97 10 H 1S 0.00033 -0.00156 0.00015 -0.00073 0.00083 98 2S 0.00077 -0.00124 0.00046 -0.00081 0.00265 99 11 H 1S 0.00013 -0.00008 0.00000 0.00035 -0.00131 100 2S 0.00006 -0.00013 0.00028 0.00060 -0.00304 101 12 H 1S -0.00127 -0.00082 0.00167 -0.00027 0.00090 102 2S -0.00118 -0.00192 0.00249 -0.00048 0.00055 103 13 H 1S -0.00031 0.00069 -0.00159 0.00023 0.00150 104 2S -0.00064 0.00071 -0.00181 0.00036 0.00143 105 14 H 1S -0.00014 -0.00072 0.00062 -0.00133 -0.00077 106 2S -0.00013 -0.00169 0.00141 -0.00151 -0.00146 107 15 C 1S -0.00007 -0.00009 -0.00015 0.00014 0.00012 108 2S 0.00011 0.00012 0.00040 -0.00022 -0.00031 109 2PX 0.00086 0.00078 -0.00032 0.00094 0.00042 110 2PY 0.00089 0.00044 -0.00083 -0.00028 0.00109 111 2PZ -0.00024 -0.00055 -0.00062 -0.00048 0.00030 112 3S 0.00068 -0.00088 0.00199 -0.00100 -0.00083 113 3PX 0.00029 0.00002 0.00069 0.00051 -0.00006 114 3PY 0.00078 -0.00009 -0.00034 -0.00015 0.00064 115 3PZ -0.00031 -0.00039 0.00057 -0.00056 0.00063 116 4XX 0.00003 -0.00002 -0.00023 0.00002 0.00018 117 4YY 0.00000 -0.00001 0.00009 -0.00003 -0.00004 118 4ZZ -0.00001 0.00004 0.00008 0.00004 -0.00003 119 4XY 0.00012 0.00015 -0.00017 0.00000 0.00028 120 4XZ -0.00001 -0.00003 0.00010 0.00003 -0.00011 121 4YZ -0.00010 -0.00014 0.00022 0.00001 -0.00028 122 16 C 1S 0.00004 -0.00029 -0.00017 0.00039 0.00066 123 2S -0.00016 0.00024 0.00053 -0.00088 -0.00094 124 2PX 0.00263 0.00291 -0.00297 0.00048 0.00435 125 2PY -0.00085 -0.00015 0.00044 -0.00018 -0.00114 126 2PZ -0.00130 -0.00243 0.00268 0.00039 -0.00363 127 3S -0.00170 0.00040 0.00083 -0.00036 -0.00243 128 3PX 0.00184 0.00224 -0.00266 0.00043 0.00313 129 3PY 0.00011 -0.00090 0.00134 -0.00057 -0.00123 130 3PZ -0.00116 -0.00129 0.00150 0.00028 -0.00358 131 4XX -0.00010 -0.00022 0.00008 0.00007 -0.00014 132 4YY 0.00008 0.00001 -0.00001 -0.00004 0.00004 133 4ZZ 0.00007 0.00017 -0.00011 0.00001 0.00009 134 4XY -0.00004 0.00002 -0.00003 0.00000 0.00001 135 4XZ 0.00010 0.00012 -0.00007 -0.00003 0.00009 136 4YZ 0.00007 0.00000 0.00001 0.00008 0.00002 137 17 C 1S -0.00001 -0.00005 -0.00008 0.00009 0.00010 138 2S -0.00017 0.00000 0.00016 -0.00011 -0.00026 139 2PX 0.00030 0.00020 -0.00013 0.00023 0.00037 140 2PY 0.00004 0.00020 -0.00006 -0.00024 -0.00019 141 2PZ 0.00010 0.00011 -0.00029 0.00014 0.00024 142 3S -0.00031 -0.00026 0.00027 -0.00021 -0.00048 143 3PX -0.00001 0.00012 -0.00013 0.00011 0.00014 144 3PY -0.00003 0.00003 -0.00009 -0.00008 0.00011 145 3PZ 0.00029 0.00067 -0.00046 0.00021 0.00057 146 4XX 0.00009 0.00013 -0.00005 0.00004 0.00009 147 4YY -0.00002 0.00000 0.00001 -0.00002 0.00002 148 4ZZ -0.00006 -0.00011 0.00004 -0.00001 -0.00009 149 4XY -0.00004 -0.00008 0.00006 0.00002 -0.00010 150 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 151 4YZ 0.00003 0.00004 -0.00007 0.00001 0.00012 152 18 H 1S 0.00002 0.00110 -0.00076 -0.00068 0.00057 153 2S 0.00026 0.00140 -0.00166 -0.00025 0.00089 154 19 H 1S -0.00023 -0.00041 0.00014 -0.00006 -0.00038 155 2S -0.00051 -0.00114 0.00053 -0.00017 -0.00089 156 20 H 1S -0.00043 -0.00017 0.00129 0.00016 -0.00121 157 2S -0.00052 -0.00024 0.00125 0.00024 -0.00070 158 21 O 1S -0.00004 0.00000 0.00015 -0.00004 -0.00002 159 2S 0.00004 -0.00011 -0.00016 0.00009 -0.00007 160 2PX -0.00041 -0.00058 -0.00003 -0.00051 0.00033 161 2PY -0.00024 -0.00028 0.00001 0.00026 -0.00006 162 2PZ 0.00034 0.00066 0.00025 0.00007 0.00020 163 3S 0.00028 0.00054 -0.00178 0.00022 0.00067 164 3PX -0.00031 -0.00046 0.00025 -0.00043 0.00025 165 3PY -0.00018 -0.00004 -0.00020 0.00024 0.00007 166 3PZ 0.00030 0.00051 0.00043 0.00015 0.00008 167 4XX -0.00002 -0.00001 0.00007 -0.00002 -0.00004 168 4YY -0.00002 -0.00004 0.00007 0.00000 -0.00003 169 4ZZ -0.00002 -0.00003 0.00009 0.00001 -0.00008 170 4XY -0.00003 -0.00003 0.00002 -0.00002 0.00001 171 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 172 4YZ -0.00002 0.00000 0.00006 0.00000 -0.00005 173 22 O 1S -0.00006 -0.00013 -0.00001 -0.00007 -0.00018 174 2S 0.00022 0.00056 -0.00003 0.00008 0.00030 175 2PX -0.00167 -0.00254 0.00169 -0.00035 -0.00253 176 2PY -0.00014 -0.00020 -0.00006 0.00047 0.00051 177 2PZ 0.00100 0.00209 -0.00139 0.00009 0.00235 178 3S 0.00019 0.00009 0.00011 0.00016 0.00123 179 3PX -0.00128 -0.00180 0.00141 -0.00017 -0.00239 180 3PY -0.00012 -0.00005 -0.00014 0.00034 0.00031 181 3PZ 0.00108 0.00199 -0.00138 0.00012 0.00209 182 4XX -0.00005 -0.00002 0.00009 0.00000 -0.00014 183 4YY 0.00002 0.00003 0.00000 -0.00002 -0.00005 184 4ZZ 0.00001 0.00007 -0.00009 0.00001 0.00008 185 4XY 0.00007 0.00009 -0.00006 0.00000 0.00010 186 4XZ 0.00001 0.00003 -0.00001 -0.00002 0.00002 187 4YZ 0.00000 -0.00006 0.00002 -0.00001 -0.00002 188 23 H 1S 0.00037 0.00047 -0.00021 0.00017 0.00044 189 2S 0.00070 0.00082 -0.00047 0.00027 0.00086 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.06133 0.32633 33 2PX 0.00315 -0.00484 0.35438 34 2PY -0.00192 -0.00375 0.02302 0.41151 35 2PZ 0.00214 0.00093 0.04001 -0.00391 0.38400 36 3S -0.19782 0.29071 0.01227 0.00351 -0.02808 37 3PX -0.00758 0.01604 0.19637 -0.01983 -0.03216 38 3PY 0.00758 0.00820 0.00466 0.13002 0.01757 39 3PZ 0.00298 -0.00462 -0.04852 0.01429 0.17019 40 4XX -0.01132 -0.01296 -0.00888 -0.00494 -0.00137 41 4YY -0.01838 0.00158 0.00429 0.02195 -0.00252 42 4ZZ -0.01398 -0.00730 0.00780 -0.01079 0.00470 43 4XY -0.00162 0.00345 -0.00761 0.00005 -0.00415 44 4XZ -0.00249 0.00560 -0.00454 -0.00527 -0.00116 45 4YZ 0.00081 -0.00153 -0.00335 -0.00229 -0.01081 46 4 C 1S 0.01252 -0.02297 -0.02142 0.02956 -0.05185 47 2S -0.02336 0.03914 0.04297 -0.05548 0.10797 48 2PX 0.01706 -0.03369 0.00054 0.02745 -0.08293 49 2PY -0.02350 0.04868 0.02055 -0.03157 0.11042 50 2PZ 0.06432 -0.13741 -0.10103 0.12209 -0.23456 51 3S 0.00258 0.02396 0.09358 -0.11182 0.08685 52 3PX 0.00270 -0.01327 -0.00001 0.01602 -0.03731 53 3PY -0.00571 0.01148 0.01358 0.00260 0.05340 54 3PZ 0.01309 -0.04402 -0.04347 0.05775 -0.11717 55 4XX 0.00197 -0.00450 -0.00735 0.00167 -0.00376 56 4YY 0.00081 -0.00222 -0.00072 0.00983 -0.00224 57 4ZZ -0.00456 0.00848 0.00573 -0.00739 0.00104 58 4XY 0.00115 -0.00204 0.00143 -0.00103 -0.00361 59 4XZ -0.00264 0.00524 -0.00785 -0.00343 0.00571 60 4YZ 0.00410 -0.00767 -0.00392 -0.00341 -0.00870 61 5 C 1S -0.00202 0.00420 0.00310 -0.00914 0.00490 62 2S 0.00459 -0.00918 -0.00431 0.01813 -0.01663 63 2PX -0.00180 0.00336 0.00565 -0.00361 0.00159 64 2PY 0.01024 -0.02612 -0.00235 0.03528 -0.03068 65 2PZ -0.00336 0.01374 0.00368 -0.00754 0.02388 66 3S -0.00082 -0.01381 -0.04767 0.07650 0.00219 67 3PX 0.00044 0.00408 0.00896 -0.00860 -0.00186 68 3PY 0.00685 -0.01928 -0.00922 0.05188 -0.01857 69 3PZ 0.00016 0.00716 0.01325 -0.00332 0.01589 70 4XX -0.00043 0.00105 0.00160 -0.00085 -0.00003 71 4YY -0.00057 0.00088 0.00257 -0.00192 0.00053 72 4ZZ 0.00018 -0.00091 -0.00295 0.00150 0.00092 73 4XY 0.00034 -0.00060 0.00054 0.00070 -0.00294 74 4XZ -0.00007 0.00013 0.00227 -0.00068 -0.00232 75 4YZ 0.00151 -0.00341 -0.00257 0.00454 -0.00723 76 6 C 1S -0.00468 0.00678 0.00443 -0.01024 -0.00218 77 2S 0.00678 -0.01943 -0.01493 0.02846 0.00306 78 2PX 0.00444 -0.01495 -0.09410 0.02688 0.03865 79 2PY 0.01024 -0.02846 -0.02687 0.03619 0.01453 80 2PZ -0.00218 0.00306 0.03864 -0.01452 -0.06996 81 3S 0.02825 -0.03182 0.02299 0.03181 0.02406 82 3PX 0.00346 -0.01218 -0.08553 0.02907 0.03407 83 3PY 0.01062 -0.00751 0.01953 -0.01165 0.01762 84 3PZ -0.00234 0.00645 0.04463 -0.01710 -0.05609 85 4XX -0.00045 -0.00045 0.00092 0.00052 -0.00105 86 4YY -0.00084 0.00068 0.00196 -0.00122 -0.00053 87 4ZZ -0.00046 0.00014 -0.00232 0.00074 0.00066 88 4XY -0.00044 0.00070 -0.00076 -0.00097 -0.00145 89 4XZ 0.00005 0.00038 0.00001 -0.00024 0.00002 90 4YZ 0.00001 -0.00004 -0.00161 0.00042 -0.00128 91 7 H 1S -0.00753 0.01707 -0.03032 -0.01510 -0.01497 92 2S -0.01234 0.02410 -0.06563 -0.03043 -0.02984 93 8 H 1S 0.01338 -0.02791 0.03271 0.00421 0.03215 94 2S 0.01887 -0.03229 0.07740 -0.00143 0.06794 95 9 H 1S -0.05969 0.11295 0.02942 0.26416 -0.02261 96 2S -0.01311 0.02597 0.00928 0.24494 -0.02196 97 10 H 1S 0.00809 -0.01963 -0.02500 0.00184 -0.02346 98 2S 0.01421 -0.02688 -0.08199 0.01218 -0.02900 99 11 H 1S -0.00421 0.01109 0.01222 -0.01109 0.01092 100 2S -0.00628 0.01442 0.02774 -0.02015 0.01335 101 12 H 1S -0.00252 0.00795 0.01088 -0.00924 -0.00291 102 2S -0.00361 0.01394 0.03433 -0.02541 -0.00578 103 13 H 1S -0.00194 0.00810 -0.00893 -0.00400 0.02445 104 2S -0.00257 0.00829 -0.01197 -0.01247 0.03387 105 14 H 1S 0.00810 -0.02346 -0.00301 0.00515 -0.02613 106 2S 0.01255 -0.02989 0.00776 0.01032 -0.05902 107 15 C 1S -0.00096 0.00325 0.00345 -0.00441 -0.00066 108 2S 0.00309 -0.00397 -0.00801 0.00651 0.00422 109 2PX -0.00602 0.01970 0.00550 -0.00668 -0.00167 110 2PY 0.00166 -0.00257 -0.02186 0.01611 0.01217 111 2PZ 0.00543 -0.01608 -0.01141 0.00646 0.00573 112 3S -0.00390 -0.01547 -0.01233 0.04107 -0.01991 113 3PX -0.00525 0.01582 0.01447 -0.00810 -0.01702 114 3PY -0.00344 0.00096 -0.00298 0.01500 -0.01066 115 3PZ 0.00095 -0.01385 -0.02188 0.00944 -0.00461 116 4XX -0.00015 0.00009 -0.00100 -0.00028 0.00082 117 4YY 0.00008 -0.00002 0.00029 0.00010 -0.00048 118 4ZZ -0.00011 0.00080 0.00016 -0.00085 0.00001 119 4XY 0.00037 -0.00017 -0.00560 0.00231 0.00325 120 4XZ -0.00016 0.00052 0.00162 -0.00076 -0.00149 121 4YZ -0.00043 0.00030 0.00505 -0.00154 -0.00330 122 16 C 1S -0.00194 0.00260 -0.00844 0.00428 0.00245 123 2S 0.00084 -0.01172 0.01027 -0.00288 -0.00674 124 2PX 0.00439 -0.00255 -0.10011 0.03475 0.05652 125 2PY 0.00057 -0.00517 0.02521 -0.01767 -0.00963 126 2PZ -0.00772 0.01091 0.08815 -0.02313 -0.05947 127 3S 0.01939 -0.00898 0.03370 -0.03757 0.01771 128 3PX -0.00116 0.00240 -0.06900 0.02649 0.05828 129 3PY -0.00042 -0.00592 0.01878 0.00967 -0.01998 130 3PZ 0.00289 0.00280 0.07191 -0.01844 -0.02543 131 4XX -0.00166 0.00291 0.00639 -0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 0.00031 0.00308 134 4XY 0.00065 -0.00175 -0.00232 -0.00081 0.00135 135 4XZ 0.00087 -0.00215 -0.00444 0.00155 0.00101 136 4YZ -0.00069 0.00189 0.00161 0.00050 -0.00103 137 17 C 1S 0.00031 0.00016 -0.00231 0.00028 0.00028 138 2S -0.00014 0.00012 0.00529 -0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00790 0.00130 0.00107 140 2PY -0.00029 0.00035 0.00363 0.00068 0.00186 141 2PZ -0.00089 0.00172 -0.00117 0.00103 0.00273 142 3S -0.00166 -0.00067 0.01412 -0.00313 -0.00051 143 3PX 0.00070 0.00066 -0.00054 -0.00011 0.00161 144 3PY 0.00010 -0.00080 -0.00118 -0.00034 0.00115 145 3PZ -0.00012 0.00144 -0.01063 0.00170 0.00865 146 4XX 0.00047 -0.00028 -0.00261 0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00260 -0.00051 -0.00089 149 4XY -0.00036 0.00075 0.00234 -0.00068 -0.00100 150 4XZ -0.00011 0.00015 0.00004 0.00016 -0.00005 151 4YZ 0.00050 -0.00078 -0.00242 0.00047 0.00097 152 18 H 1S 0.00600 -0.01492 -0.02505 0.00207 0.02148 153 2S 0.00674 -0.01324 -0.02738 0.00707 0.02823 154 19 H 1S -0.00145 0.00102 0.00985 -0.00186 -0.00338 155 2S -0.00192 0.00051 0.01929 -0.00327 -0.01359 156 20 H 1S -0.00218 0.00570 0.01887 -0.00820 -0.01269 157 2S -0.00428 0.00823 0.02245 -0.01241 -0.02171 158 21 O 1S -0.00022 -0.00083 -0.00029 0.00057 -0.00037 159 2S -0.00033 0.00190 0.00261 -0.00159 -0.00241 160 2PX 0.00196 -0.01053 -0.00511 0.00636 0.00385 161 2PY -0.00012 0.00069 0.00506 -0.00592 -0.00207 162 2PZ -0.00038 0.00618 -0.01085 0.00505 0.00367 163 3S 0.00417 0.00260 -0.00465 -0.00354 0.01628 164 3PX 0.00087 -0.00950 -0.00799 0.00668 0.00036 165 3PY 0.00084 0.00063 0.00069 -0.00534 0.00211 166 3PZ -0.00100 0.00695 -0.00652 0.00313 0.00013 167 4XX 0.00013 -0.00070 -0.00054 0.00032 -0.00035 168 4YY -0.00035 0.00001 0.00039 -0.00001 -0.00100 169 4ZZ -0.00059 0.00049 0.00161 -0.00047 -0.00143 170 4XY -0.00006 -0.00032 0.00006 -0.00005 -0.00023 171 4XZ -0.00001 0.00012 0.00024 -0.00009 -0.00015 172 4YZ 0.00000 0.00005 0.00046 -0.00022 -0.00048 173 22 O 1S -0.00006 0.00124 0.00404 -0.00016 0.00063 174 2S 0.00144 -0.00357 -0.00923 0.00011 0.00160 175 2PX -0.00872 0.01382 0.06019 -0.01145 -0.01992 176 2PY 0.00185 -0.00158 -0.00859 -0.00101 0.00434 177 2PZ 0.00816 -0.00917 -0.05234 0.01312 0.02773 178 3S -0.00560 -0.00093 -0.01764 0.00058 -0.01791 179 3PX -0.00393 0.01001 0.05169 -0.01067 -0.01445 180 3PY 0.00167 -0.00082 -0.00513 -0.00137 0.00722 181 3PZ 0.00725 -0.00761 -0.04914 0.01410 0.03125 182 4XX 0.00024 -0.00022 0.00249 -0.00102 -0.00083 183 4YY 0.00041 0.00028 0.00014 0.00053 0.00077 184 4ZZ 0.00077 -0.00013 -0.00221 0.00025 0.00242 185 4XY 0.00030 -0.00069 -0.00263 0.00048 0.00036 186 4XZ 0.00009 -0.00043 -0.00078 0.00004 0.00006 187 4YZ -0.00035 0.00059 0.00104 0.00015 -0.00079 188 23 H 1S 0.00142 -0.00087 -0.01077 0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02157 0.00370 0.00567 36 37 38 39 40 36 3S 0.30065 37 3PX 0.02131 0.12488 38 3PY -0.00564 -0.00625 0.05321 39 3PZ -0.02582 -0.05270 0.01514 0.09657 40 4XX -0.01129 -0.00518 -0.00167 0.00075 0.00149 41 4YY 0.00386 0.00114 0.00652 -0.00038 -0.00052 42 4ZZ -0.00678 0.00449 -0.00330 -0.00006 0.00007 43 4XY 0.00321 -0.00319 -0.00011 -0.00028 0.00000 44 4XZ 0.00351 -0.00169 -0.00145 0.00063 -0.00001 45 4YZ -0.00060 -0.00006 -0.00162 -0.00357 0.00014 46 4 C 1S -0.00158 -0.00447 0.00708 -0.00575 0.00165 47 2S 0.01521 0.01064 -0.01664 0.02431 -0.00384 48 2PX -0.03853 0.00013 0.00296 -0.01547 0.00729 49 2PY 0.03621 0.00742 -0.01298 0.05085 -0.00065 50 2PZ -0.11065 -0.03883 0.01884 -0.09079 0.00545 51 3S 0.00026 0.04852 -0.02853 -0.00062 -0.00365 52 3PX -0.01152 -0.00164 -0.00036 -0.00753 0.00317 53 3PY 0.00988 0.00132 -0.00476 0.02378 -0.00082 54 3PZ -0.02319 -0.01620 0.00275 -0.04788 0.00129 55 4XX -0.00464 -0.00410 -0.00008 0.00009 0.00055 56 4YY -0.00177 -0.00125 0.00342 -0.00014 -0.00011 57 4ZZ 0.00861 0.00455 -0.00229 -0.00148 -0.00043 58 4XY -0.00248 0.00119 -0.00060 -0.00104 0.00026 59 4XZ 0.00330 -0.00506 -0.00034 0.00512 0.00024 60 4YZ -0.00613 -0.00155 -0.00276 -0.00416 0.00030 61 5 C 1S 0.00385 0.00368 -0.00396 0.00182 0.00030 62 2S -0.00944 -0.00479 0.00899 -0.00699 -0.00104 63 2PX 0.01293 -0.00201 -0.00016 -0.00416 0.00016 64 2PY -0.02808 -0.00941 0.01240 -0.02231 -0.00101 65 2PZ -0.00622 0.01452 0.02513 0.02494 0.00235 66 3S -0.01019 -0.04236 0.02365 0.01383 -0.00084 67 3PX 0.00772 0.00406 -0.00202 -0.00495 0.00010 68 3PY -0.01837 -0.01155 0.01565 -0.00894 -0.00038 69 3PZ -0.00339 0.01370 0.01143 0.01345 0.00079 70 4XX 0.00059 0.00184 0.00079 -0.00002 0.00012 71 4YY 0.00051 0.00138 -0.00036 -0.00117 -0.00021 72 4ZZ -0.00049 -0.00227 -0.00067 0.00161 0.00010 73 4XY -0.00113 0.00075 0.00018 -0.00084 0.00020 74 4XZ -0.00027 0.00192 -0.00021 -0.00237 -0.00014 75 4YZ -0.00211 -0.00124 0.00039 -0.00342 0.00004 76 6 C 1S 0.02825 0.00346 -0.01062 -0.00234 -0.00045 77 2S -0.03182 -0.01217 0.00751 0.00645 -0.00045 78 2PX 0.02297 -0.08554 -0.01954 0.04463 0.00092 79 2PY -0.03182 -0.02906 -0.01165 0.01710 -0.00052 80 2PZ 0.02406 0.03406 -0.01761 -0.05609 -0.00105 81 3S -0.04410 0.00579 0.00614 0.01062 0.00048 82 3PX 0.00579 -0.07057 -0.00673 0.04022 0.00074 83 3PY -0.00615 0.00672 -0.01301 0.00672 -0.00022 84 3PZ 0.01063 0.04022 -0.00671 -0.04211 -0.00188 85 4XX 0.00048 0.00074 0.00022 -0.00188 0.00046 86 4YY 0.00050 0.00168 0.00039 -0.00021 -0.00016 87 4ZZ 0.00055 -0.00204 -0.00018 0.00145 -0.00017 88 4XY 0.00203 -0.00098 -0.00099 -0.00105 0.00001 89 4XZ -0.00018 -0.00004 0.00026 -0.00010 -0.00018 90 4YZ 0.00050 -0.00116 0.00007 -0.00136 0.00007 91 7 H 1S 0.04152 -0.02563 -0.00659 -0.01358 0.00034 92 2S 0.04888 -0.04372 -0.01573 -0.01524 0.00109 93 8 H 1S -0.05771 0.01770 0.01040 0.00731 0.00307 94 2S -0.05898 0.03769 0.01145 0.01284 0.00157 95 9 H 1S 0.11236 0.00497 0.08410 -0.00406 -0.00852 96 2S 0.03320 -0.01111 0.07232 0.00217 -0.00501 97 10 H 1S -0.03205 -0.01668 -0.00582 0.00220 0.00458 98 2S -0.04475 -0.04620 0.00375 0.01691 0.00610 99 11 H 1S 0.01102 0.00908 0.00455 0.00279 -0.00024 100 2S 0.01061 0.02204 0.00342 -0.00198 -0.00114 101 12 H 1S 0.00542 0.01175 0.00990 -0.00326 -0.00021 102 2S 0.01443 0.02816 0.00402 -0.00904 -0.00090 103 13 H 1S -0.00360 -0.00076 0.00943 0.02498 0.00137 104 2S 0.00098 -0.00618 0.00177 0.02866 0.00250 105 14 H 1S -0.01620 0.00408 -0.00731 -0.02954 -0.00244 106 2S -0.01438 0.01446 -0.00676 -0.04306 -0.00102 107 15 C 1S -0.00040 0.00317 0.00096 -0.00133 -0.00050 108 2S -0.00631 -0.00581 0.00158 0.00434 0.00121 109 2PX -0.01556 0.01646 0.02125 -0.00020 -0.00642 110 2PY -0.00887 -0.01834 0.00077 0.01981 -0.00219 111 2PZ 0.00403 -0.02243 -0.01484 -0.00082 0.00551 112 3S -0.00131 -0.00671 0.00008 -0.00728 0.00314 113 3PX -0.00104 0.01961 0.01035 -0.00997 -0.00457 114 3PY -0.00791 0.00146 0.00611 0.00096 -0.00247 115 3PZ 0.00823 -0.02260 -0.01130 -0.00260 0.00448 116 4XX 0.00048 -0.00095 -0.00073 0.00042 0.00002 117 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 118 4ZZ -0.00076 0.00059 0.00107 -0.00013 -0.00011 119 4XY -0.00075 -0.00378 0.00101 0.00331 -0.00023 120 4XZ -0.00094 0.00169 0.00101 -0.00148 -0.00002 121 4YZ 0.00172 0.00388 -0.00112 -0.00305 0.00021 122 16 C 1S 0.00479 0.00166 0.00191 0.00396 -0.00149 123 2S 0.00189 -0.00230 -0.00686 -0.00723 0.00264 124 2PX -0.00880 -0.06594 0.01522 0.05404 -0.00496 125 2PY 0.00295 0.01542 -0.00271 -0.01962 0.00346 126 2PZ 0.03436 0.06244 -0.01961 -0.05024 0.00291 127 3S 0.00634 0.00809 -0.01664 -0.00659 0.00472 128 3PX -0.01131 -0.04891 0.01406 0.04815 -0.00307 129 3PY 0.00142 0.01364 -0.00006 -0.01789 0.00193 130 3PZ 0.01277 0.04703 -0.01041 -0.03219 0.00247 131 4XX 0.00712 0.00462 -0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 0.00109 0.00142 0.00004 133 4ZZ -0.00432 -0.00194 0.00251 0.00258 0.00018 134 4XY 0.00026 -0.00166 -0.00187 0.00108 0.00038 135 4XZ -0.00174 -0.00304 0.00075 0.00144 0.00023 136 4YZ -0.00001 0.00253 0.00115 0.00021 -0.00043 137 17 C 1S -0.00427 -0.00078 0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 -0.00097 -0.00392 0.00020 139 2PX -0.01577 -0.00104 0.00453 0.00866 0.00021 140 2PY 0.00790 -0.00266 0.00141 -0.00228 -0.00035 141 2PZ 0.01037 -0.00060 -0.00641 0.00420 -0.00101 142 3S 0.00771 0.00509 -0.00322 -0.00672 0.00069 143 3PX -0.00049 0.00104 -0.00155 0.00251 -0.00030 144 3PY -0.00406 -0.00168 0.00206 0.00054 0.00023 145 3PZ -0.00686 -0.00525 0.00533 0.00992 -0.00113 146 4XX -0.00398 -0.00129 0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 -0.00301 -0.00210 -0.00004 149 4XY 0.00072 0.00172 -0.00061 -0.00133 -0.00015 150 4XZ 0.00051 -0.00013 0.00009 -0.00040 -0.00006 151 4YZ -0.00383 -0.00104 0.00135 0.00158 0.00024 152 18 H 1S -0.01942 -0.02451 0.00644 0.01187 0.00237 153 2S -0.02514 -0.02494 0.01127 0.01828 0.00128 154 19 H 1S 0.02158 0.00373 -0.01273 -0.00671 -0.00017 155 2S 0.03436 0.00893 -0.02261 -0.01662 0.00052 156 20 H 1S 0.00326 0.01991 0.00386 -0.01165 -0.00039 157 2S 0.00517 0.02252 0.00370 -0.01651 -0.00120 158 21 O 1S 0.00478 0.00034 -0.00292 -0.00037 0.00005 159 2S -0.01174 0.00062 0.00710 -0.00261 0.00009 160 2PX 0.01340 -0.00598 -0.01720 0.00465 0.00284 161 2PY -0.01504 0.01029 0.00351 -0.00628 0.00057 162 2PZ -0.00939 -0.00675 0.01292 0.01134 -0.00300 163 3S -0.02205 -0.00576 0.01075 0.01417 -0.00127 164 3PX 0.00990 -0.00764 -0.01270 0.00164 0.00285 165 3PY -0.01203 0.00556 0.00296 -0.00119 0.00037 166 3PZ -0.00809 -0.00205 0.01201 0.00636 -0.00271 167 4XX -0.00027 -0.00061 -0.00014 -0.00022 0.00027 168 4YY -0.00009 0.00059 0.00005 -0.00109 0.00006 169 4ZZ 0.00112 0.00155 -0.00034 -0.00116 -0.00011 170 4XY 0.00078 0.00003 -0.00066 -0.00012 0.00012 171 4XZ -0.00042 0.00039 0.00024 -0.00009 -0.00002 172 4YZ 0.00012 0.00021 0.00012 -0.00030 0.00002 173 22 O 1S -0.00071 -0.00229 0.00275 -0.00410 0.00035 174 2S 0.00712 0.00370 -0.00818 0.00912 -0.00046 175 2PX 0.06015 0.03304 -0.03526 -0.03603 -0.00294 176 2PY -0.03805 0.01208 0.00552 0.01762 0.00031 177 2PZ -0.09382 -0.02384 0.05513 0.04422 0.00201 178 3S 0.00110 0.00862 -0.00729 0.00834 -0.00246 179 3PX 0.04693 0.02864 -0.02790 -0.02875 -0.00148 180 3PY -0.02464 0.00709 0.00345 0.01325 0.00033 181 3PZ -0.06967 -0.02555 0.04141 0.04033 0.00128 182 4XX -0.00102 0.00166 0.00027 -0.00089 0.00033 183 4YY 0.00234 -0.00115 -0.00011 -0.00071 -0.00001 184 4ZZ 0.00016 -0.00189 -0.00023 0.00145 -0.00001 185 4XY -0.00189 -0.00172 0.00110 0.00119 0.00010 186 4XZ 0.00061 -0.00060 -0.00050 0.00008 -0.00002 187 4YZ 0.00343 0.00027 -0.00176 -0.00116 -0.00021 188 23 H 1S -0.01834 -0.00436 0.01007 0.00828 0.00012 189 2S -0.02971 -0.00959 0.01786 0.01474 -0.00027 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00073 0.00145 43 4XY 0.00013 -0.00035 0.00042 44 4XZ -0.00039 0.00006 0.00009 0.00069 45 4YZ -0.00011 -0.00004 0.00027 0.00008 0.00065 46 4 C 1S 0.00168 -0.00512 0.00133 -0.00200 0.00340 47 2S -0.00345 0.00885 -0.00249 0.00367 -0.00664 48 2PX 0.00095 -0.00570 -0.00081 0.00911 0.00319 49 2PY -0.00950 0.00773 0.00065 0.00272 0.00439 50 2PZ 0.00364 0.00068 0.00406 -0.00358 0.00854 51 3S -0.00684 0.01172 -0.00382 0.00372 -0.00655 52 3PX 0.00064 -0.00266 -0.00044 0.00422 0.00139 53 3PY -0.00362 0.00391 -0.00012 0.00107 0.00182 54 3PZ 0.00256 -0.00033 0.00239 -0.00117 0.00426 55 4XX -0.00029 0.00004 0.00017 0.00026 0.00039 56 4YY 0.00085 -0.00055 -0.00004 -0.00019 -0.00020 57 4ZZ -0.00039 0.00029 0.00001 -0.00011 0.00009 58 4XY -0.00004 -0.00009 -0.00006 0.00038 0.00013 59 4XZ -0.00016 -0.00052 0.00012 0.00062 -0.00011 60 4YZ -0.00031 0.00033 0.00008 -0.00002 0.00031 61 5 C 1S -0.00148 0.00048 0.00034 0.00008 0.00110 62 2S 0.00319 -0.00116 -0.00074 -0.00025 -0.00199 63 2PX -0.00054 0.00018 -0.00001 -0.00082 0.00032 64 2PY 0.00818 -0.00393 -0.00173 -0.00099 -0.00724 65 2PZ -0.00101 0.00006 0.00056 -0.00056 0.00107 66 3S 0.00541 -0.00338 -0.00077 -0.00033 -0.00250 67 3PX -0.00059 0.00022 -0.00018 -0.00058 0.00018 68 3PY 0.00566 -0.00313 -0.00045 -0.00110 -0.00318 69 3PZ 0.00002 -0.00023 0.00014 -0.00060 0.00055 70 4XX -0.00023 0.00006 0.00006 -0.00005 0.00021 71 4YY 0.00009 0.00022 -0.00008 0.00008 -0.00034 72 4ZZ -0.00009 -0.00005 0.00001 0.00003 0.00021 73 4XY 0.00003 -0.00016 -0.00002 0.00028 0.00007 74 4XZ -0.00003 0.00008 0.00002 0.00001 -0.00004 75 4YZ 0.00020 -0.00002 0.00012 -0.00009 0.00018 76 6 C 1S -0.00084 -0.00046 0.00044 0.00005 -0.00001 77 2S 0.00068 0.00014 -0.00070 0.00038 0.00004 78 2PX 0.00196 -0.00232 0.00076 0.00001 0.00161 79 2PY 0.00122 -0.00074 -0.00097 0.00024 0.00042 80 2PZ -0.00053 0.00066 0.00145 0.00002 0.00128 81 3S 0.00050 0.00055 -0.00203 -0.00018 -0.00050 82 3PX 0.00168 -0.00204 0.00098 -0.00004 0.00116 83 3PY -0.00039 0.00018 -0.00099 -0.00026 0.00007 84 3PZ -0.00021 0.00145 0.00105 -0.00010 0.00136 85 4XX -0.00016 -0.00017 -0.00001 -0.00019 -0.00007 86 4YY 0.00037 -0.00008 0.00015 -0.00005 -0.00004 87 4ZZ -0.00008 0.00018 -0.00005 0.00012 0.00014 88 4XY -0.00015 0.00005 -0.00013 0.00004 -0.00005 89 4XZ -0.00005 0.00012 -0.00004 0.00005 0.00000 90 4YZ 0.00004 -0.00014 -0.00005 0.00000 -0.00025 91 7 H 1S -0.00257 0.00002 -0.00085 0.00030 -0.00058 92 2S -0.00387 -0.00050 -0.00037 0.00117 -0.00017 93 8 H 1S -0.00534 0.00632 -0.00350 0.00387 -0.00211 94 2S -0.00515 0.00695 -0.00520 0.00176 -0.00393 95 9 H 1S 0.01671 -0.00993 0.00155 -0.00194 -0.00169 96 2S 0.01588 -0.00874 0.00135 -0.00309 -0.00104 97 10 H 1S -0.00287 0.00116 0.00001 0.00707 0.00220 98 2S -0.00199 -0.00220 0.00147 0.00575 0.00328 99 11 H 1S -0.00155 0.00123 0.00018 -0.00082 0.00098 100 2S -0.00211 0.00239 0.00041 -0.00093 0.00075 101 12 H 1S 0.00086 -0.00008 0.00059 -0.00022 -0.00041 102 2S 0.00150 -0.00030 0.00078 -0.00062 -0.00057 103 13 H 1S -0.00100 -0.00013 0.00010 0.00069 0.00105 104 2S -0.00204 -0.00038 -0.00006 0.00099 0.00117 105 14 H 1S -0.00242 0.00811 0.00106 -0.00402 0.00144 106 2S -0.00166 0.00534 0.00102 -0.00503 0.00280 107 15 C 1S -0.00011 0.00057 0.00027 0.00026 -0.00015 108 2S 0.00040 -0.00090 -0.00041 -0.00034 0.00011 109 2PX 0.00097 0.00319 0.00142 0.00302 -0.00055 110 2PY 0.00126 0.00002 -0.00057 0.00109 0.00046 111 2PZ -0.00060 -0.00255 -0.00100 -0.00228 0.00052 112 3S 0.00159 -0.00306 -0.00029 -0.00172 0.00055 113 3PX 0.00070 0.00203 0.00087 0.00155 -0.00013 114 3PY 0.00134 0.00063 0.00000 0.00055 0.00041 115 3PZ -0.00045 -0.00256 -0.00032 -0.00176 0.00045 116 4XX -0.00003 -0.00003 0.00001 -0.00002 0.00004 117 4YY 0.00000 -0.00004 -0.00001 -0.00003 0.00001 118 4ZZ 0.00000 0.00012 0.00007 0.00008 -0.00007 119 4XY 0.00013 -0.00002 0.00010 0.00023 -0.00004 120 4XZ -0.00001 0.00009 0.00005 -0.00002 0.00000 121 4YZ -0.00009 -0.00009 -0.00009 -0.00015 0.00003 122 16 C 1S 0.00012 -0.00031 0.00016 0.00082 -0.00007 123 2S -0.00134 -0.00051 -0.00064 -0.00233 0.00042 124 2PX 0.00229 0.00005 0.00256 0.00541 -0.00117 125 2PY -0.00230 0.00012 0.00041 -0.00262 -0.00042 126 2PZ -0.00079 -0.00138 -0.00185 -0.00200 0.00099 127 3S -0.00364 -0.00023 -0.00142 -0.00285 -0.00038 128 3PX 0.00184 -0.00014 0.00135 0.00369 -0.00132 129 3PY 0.00001 -0.00089 0.00003 -0.00203 0.00012 130 3PZ -0.00113 -0.00026 -0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 0.00002 0.00022 0.00008 132 4YY 0.00015 -0.00007 -0.00001 -0.00004 -0.00001 133 4ZZ -0.00003 0.00003 0.00004 -0.00003 -0.00010 134 4XY -0.00013 -0.00018 -0.00002 -0.00006 -0.00001 135 4XZ -0.00003 -0.00010 0.00009 -0.00003 0.00000 136 4YZ 0.00015 0.00011 0.00003 0.00023 -0.00001 137 17 C 1S 0.00013 0.00003 0.00003 0.00016 0.00007 138 2S -0.00018 0.00009 0.00003 -0.00059 -0.00011 139 2PX 0.00006 -0.00010 -0.00012 0.00040 0.00005 140 2PY 0.00002 0.00026 -0.00017 -0.00029 -0.00002 141 2PZ 0.00037 0.00014 0.00013 0.00018 -0.00016 142 3S -0.00020 -0.00002 -0.00016 -0.00113 -0.00013 143 3PX -0.00012 0.00010 -0.00009 0.00002 0.00009 144 3PY -0.00008 0.00009 -0.00006 -0.00014 0.00004 145 3PZ 0.00041 0.00050 0.00026 0.00024 -0.00028 146 4XX 0.00002 0.00004 0.00004 0.00007 -0.00002 147 4YY 0.00002 0.00002 -0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 -0.00001 0.00000 0.00001 149 4XY 0.00002 0.00010 0.00001 0.00004 -0.00001 150 4XZ 0.00002 0.00001 0.00002 0.00002 0.00000 151 4YZ -0.00002 -0.00009 0.00000 -0.00009 0.00001 152 18 H 1S -0.00130 0.00016 0.00041 -0.00177 -0.00041 153 2S -0.00061 0.00053 0.00025 -0.00071 -0.00067 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 0.00002 155 2S -0.00042 -0.00083 -0.00028 -0.00005 0.00029 156 20 H 1S -0.00023 0.00048 0.00024 0.00001 -0.00028 157 2S -0.00023 0.00102 0.00025 0.00013 -0.00010 158 21 O 1S -0.00013 -0.00024 -0.00001 -0.00001 0.00001 159 2S 0.00025 0.00047 0.00007 -0.00013 0.00003 160 2PX -0.00074 -0.00252 -0.00087 -0.00149 0.00036 161 2PY -0.00051 0.00016 0.00024 -0.00050 0.00001 162 2PZ 0.00126 0.00186 0.00054 0.00179 -0.00037 163 3S 0.00029 0.00152 -0.00019 0.00050 -0.00001 164 3PX -0.00057 -0.00228 -0.00059 -0.00134 0.00031 165 3PY -0.00046 0.00020 0.00018 -0.00030 -0.00001 166 3PZ 0.00102 0.00155 0.00056 0.00155 -0.00033 167 4XX -0.00002 -0.00012 -0.00002 -0.00009 0.00000 168 4YY -0.00002 -0.00004 0.00003 -0.00004 0.00001 169 4ZZ -0.00001 0.00003 0.00002 0.00003 -0.00001 170 4XY -0.00005 -0.00008 -0.00001 -0.00007 0.00001 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 0.00004 0.00001 -0.00002 -0.00002 173 22 O 1S 0.00017 0.00016 -0.00005 -0.00011 0.00000 174 2S -0.00051 -0.00055 0.00017 0.00025 -0.00013 175 2PX 0.00017 0.00088 -0.00094 0.00017 0.00009 176 2PY 0.00000 0.00001 -0.00031 -0.00046 -0.00005 177 2PZ 0.00057 0.00045 -0.00014 -0.00175 -0.00007 178 3S 0.00010 0.00027 0.00047 0.00071 0.00071 179 3PX -0.00019 0.00035 -0.00084 -0.00011 -0.00009 180 3PY -0.00005 -0.00007 -0.00030 -0.00019 -0.00017 181 3PZ 0.00055 0.00015 0.00014 -0.00076 -0.00036 182 4XX -0.00011 -0.00007 -0.00008 -0.00020 -0.00001 183 4YY 0.00002 -0.00005 0.00002 0.00001 -0.00004 184 4ZZ -0.00003 -0.00002 0.00004 0.00007 -0.00006 185 4XY 0.00001 -0.00005 0.00003 0.00002 0.00002 186 4XZ -0.00003 0.00000 0.00003 -0.00005 0.00000 187 4YZ 0.00004 0.00000 0.00003 0.00017 0.00002 188 23 H 1S 0.00009 0.00020 0.00012 0.00031 -0.00004 189 2S 0.00042 0.00041 0.00035 0.00087 -0.00013 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX -0.00089 0.00094 0.41188 49 2PY -0.00199 0.00121 0.00499 0.38124 50 2PZ -0.00339 0.00249 -0.00312 0.00574 0.38896 51 3S -0.18586 0.27975 -0.00648 -0.00793 -0.02478 52 3PX -0.00226 0.00385 0.18595 0.00356 0.00071 53 3PY 0.00044 0.00253 -0.00076 0.17352 0.00966 54 3PZ -0.00163 0.00937 0.00744 0.00608 0.17988 55 4XX -0.01787 0.00019 0.01071 0.01029 0.01116 56 4YY -0.01551 -0.00514 0.00056 -0.01508 -0.00103 57 4ZZ -0.01630 -0.00351 -0.01052 0.00819 -0.00580 58 4XY -0.00055 0.00106 0.01581 0.00029 -0.00039 59 4XZ 0.00050 -0.00110 0.01496 0.00054 -0.01186 60 4YZ -0.00140 0.00269 0.00004 0.00068 0.01284 61 5 C 1S 0.01015 -0.01941 0.00027 0.06234 0.00369 62 2S -0.01941 0.03034 -0.00113 -0.12842 -0.00769 63 2PX 0.00027 -0.00112 -0.00075 -0.00198 0.00493 64 2PY -0.06234 0.12842 0.00196 -0.31488 -0.00214 65 2PZ 0.00368 -0.00767 0.00493 0.00209 0.00696 66 3S 0.00627 0.00956 0.00445 -0.12579 -0.00426 67 3PX 0.00051 -0.00149 -0.00514 -0.00285 -0.00109 68 3PY -0.01398 0.04159 0.00013 -0.14639 0.01478 69 3PZ 0.00321 -0.00962 -0.00073 -0.00209 -0.00677 70 4XX 0.00206 -0.00506 -0.00024 0.00708 0.00043 71 4YY -0.00683 0.01180 -0.00037 -0.00827 0.00046 72 4ZZ 0.00208 -0.00477 0.00063 0.00813 0.00082 73 4XY 0.00001 -0.00002 0.01155 0.00033 -0.00029 74 4XZ -0.00011 0.00018 -0.00064 0.00060 0.00059 75 4YZ -0.00032 0.00030 -0.00043 0.00007 0.01048 76 6 C 1S -0.00202 0.00459 -0.00180 -0.01024 -0.00337 77 2S 0.00420 -0.00918 0.00336 0.02611 0.01375 78 2PX 0.00310 -0.00431 0.00565 0.00235 0.00368 79 2PY 0.00914 -0.01813 0.00361 0.03528 0.00755 80 2PZ 0.00490 -0.01664 0.00159 0.03068 0.02388 81 3S 0.00385 -0.00944 0.01294 0.02808 -0.00622 82 3PX 0.00368 -0.00480 -0.00201 0.00941 0.01452 83 3PY 0.00396 -0.00899 0.00017 0.01240 -0.02514 84 3PZ 0.00182 -0.00699 -0.00416 0.02231 0.02493 85 4XX 0.00030 -0.00104 0.00016 0.00101 0.00235 86 4YY -0.00148 0.00319 -0.00054 -0.00818 -0.00101 87 4ZZ 0.00048 -0.00116 0.00018 0.00392 0.00006 88 4XY -0.00034 0.00074 0.00001 -0.00173 -0.00056 89 4XZ 0.00008 -0.00025 -0.00082 0.00099 -0.00056 90 4YZ -0.00110 0.00199 -0.00032 -0.00724 -0.00107 91 7 H 1S -0.00090 0.00147 0.00009 -0.00103 -0.00298 92 2S -0.00047 -0.00004 0.00382 -0.00098 0.00410 93 8 H 1S -0.00710 0.01561 -0.01136 0.01106 -0.03375 94 2S -0.00909 0.02151 -0.02680 0.01593 -0.06649 95 9 H 1S 0.01166 -0.02374 0.00667 -0.03133 0.03239 96 2S 0.01409 -0.02635 0.01506 -0.05916 0.06668 97 10 H 1S -0.05307 0.10305 0.24405 0.09283 0.06756 98 2S -0.00471 0.02008 0.21324 0.07582 0.05580 99 11 H 1S 0.00761 -0.02000 -0.02272 0.02939 -0.00278 100 2S 0.00792 -0.01756 -0.04406 0.05180 -0.00223 101 12 H 1S -0.00717 0.01458 -0.00152 -0.03618 -0.00435 102 2S -0.00907 0.01876 -0.00485 -0.06045 -0.01995 103 13 H 1S 0.00840 -0.02008 0.01885 0.02734 -0.01613 104 2S 0.01010 -0.02084 0.03502 0.05262 -0.02228 105 14 H 1S -0.05287 0.10195 -0.18027 0.08045 0.17916 106 2S -0.00700 0.02105 -0.16496 0.06621 0.15931 107 15 C 1S -0.00135 0.00331 0.00010 -0.00131 -0.00447 108 2S 0.00251 -0.00446 -0.00034 0.00181 0.00621 109 2PX -0.00749 0.01643 -0.00553 -0.00836 -0.02317 110 2PY -0.00026 0.00226 -0.00294 -0.00296 0.00041 111 2PZ 0.00676 -0.01383 0.00340 0.00670 0.01780 112 3S 0.00525 -0.02179 -0.00053 0.00380 0.04390 113 3PX -0.00501 0.00780 -0.01195 -0.01243 -0.01017 114 3PY -0.00098 -0.00160 -0.00919 -0.00419 0.00922 115 3PZ 0.00473 -0.01516 0.00205 0.00047 0.02307 116 4XX 0.00003 0.00002 -0.00010 0.00020 -0.00037 117 4YY -0.00008 0.00002 -0.00039 -0.00053 0.00052 118 4ZZ -0.00049 0.00104 0.00049 -0.00051 -0.00123 119 4XY -0.00020 0.00069 0.00069 0.00008 -0.00080 120 4XZ 0.00000 -0.00019 -0.00064 -0.00001 0.00047 121 4YZ 0.00011 -0.00086 -0.00045 -0.00028 0.00108 122 16 C 1S -0.00160 0.00237 0.00275 -0.00037 -0.00219 123 2S 0.00232 -0.00724 -0.00839 -0.00112 0.01167 124 2PX -0.00601 0.01600 0.01449 -0.00147 -0.01970 125 2PY 0.00138 -0.00410 -0.00285 0.00184 0.00129 126 2PZ 0.00522 -0.01806 -0.01389 -0.00170 0.01865 127 3S 0.00606 -0.00124 -0.00166 0.00813 -0.01871 128 3PX -0.00470 0.01725 0.02394 -0.00042 -0.03175 129 3PY 0.00098 -0.01047 -0.00749 -0.00131 0.02065 130 3PZ 0.00664 -0.00697 -0.00779 0.00013 0.00120 131 4XX -0.00063 0.00056 0.00092 -0.00003 -0.00036 132 4YY 0.00003 -0.00028 -0.00017 -0.00039 0.00086 133 4ZZ -0.00062 0.00051 0.00050 -0.00048 -0.00154 134 4XY 0.00037 -0.00055 0.00007 0.00037 0.00068 135 4XZ 0.00066 -0.00101 -0.00114 -0.00007 0.00209 136 4YZ -0.00023 0.00046 -0.00049 -0.00025 -0.00104 137 17 C 1S -0.00065 0.00136 0.00329 0.00005 0.00042 138 2S 0.00155 -0.00372 -0.00906 0.00032 -0.00082 139 2PX -0.00189 0.00416 0.00785 -0.00096 0.00237 140 2PY -0.00001 -0.00040 -0.00185 0.00005 -0.00246 141 2PZ 0.00280 -0.00422 -0.01831 -0.00432 -0.00495 142 3S 0.00356 -0.00478 -0.01117 -0.00019 -0.00239 143 3PX 0.00052 -0.00167 -0.00735 0.00475 0.00092 144 3PY -0.00086 0.00110 0.00495 0.00071 -0.00067 145 3PZ 0.00189 -0.00206 -0.01917 -0.00415 -0.00710 146 4XX -0.00032 0.00025 0.00064 -0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 -0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 0.00035 -0.00005 149 4XY -0.00015 0.00060 0.00009 0.00014 -0.00029 150 4XZ 0.00001 -0.00004 -0.00050 -0.00006 0.00002 151 4YZ 0.00031 -0.00062 -0.00027 -0.00019 0.00046 152 18 H 1S 0.00045 0.00109 0.00161 0.00109 -0.00103 153 2S 0.00048 0.00573 0.00506 -0.00098 -0.00802 154 19 H 1S 0.00270 -0.00472 -0.00803 0.00102 -0.00060 155 2S -0.00011 -0.00129 0.01068 0.00204 0.00671 156 20 H 1S -0.00132 0.00099 -0.00111 -0.00171 -0.00124 157 2S -0.00232 0.00125 -0.00626 -0.00757 -0.00091 158 21 O 1S 0.00035 -0.00090 -0.00001 0.00021 0.00074 159 2S -0.00036 0.00121 0.00059 -0.00148 -0.00001 160 2PX 0.00403 -0.00893 0.00209 -0.00085 0.00993 161 2PY 0.00108 -0.00204 -0.00350 0.00314 0.00004 162 2PZ -0.00486 0.01104 0.00418 -0.00133 -0.00777 163 3S -0.00302 0.00783 -0.00133 0.00365 -0.01230 164 3PX 0.00391 -0.00955 0.00212 -0.00073 0.01197 165 3PY 0.00036 -0.00118 -0.00402 0.00359 -0.00176 166 3PZ -0.00478 0.00936 0.00349 -0.00254 -0.00680 167 4XX 0.00039 -0.00038 0.00086 -0.00007 0.00102 168 4YY 0.00020 -0.00039 -0.00015 -0.00010 0.00069 169 4ZZ 0.00013 0.00006 -0.00014 -0.00042 -0.00005 170 4XY 0.00012 -0.00032 0.00016 0.00007 0.00049 171 4XZ -0.00004 0.00003 -0.00017 -0.00007 -0.00004 172 4YZ -0.00012 0.00006 -0.00007 -0.00019 0.00002 173 22 O 1S -0.00055 0.00099 0.00447 0.00124 -0.00164 174 2S 0.00228 -0.00252 -0.00961 -0.00339 0.00098 175 2PX -0.00379 0.01216 0.01821 0.00614 -0.00592 176 2PY 0.00114 0.00119 -0.00505 -0.00451 -0.00075 177 2PZ 0.00311 -0.00877 -0.02212 -0.00844 -0.00283 178 3S -0.00116 -0.00488 -0.02701 -0.00436 0.01800 179 3PX -0.00096 0.00699 0.01209 0.00447 -0.00652 180 3PY 0.00085 0.00248 0.00199 -0.00334 -0.00534 181 3PZ 0.00116 -0.00346 -0.01266 -0.00584 -0.00686 182 4XX 0.00046 -0.00072 -0.00019 -0.00039 0.00000 183 4YY 0.00040 -0.00042 -0.00023 0.00003 -0.00064 184 4ZZ 0.00021 0.00056 0.00143 0.00010 -0.00159 185 4XY 0.00008 -0.00060 -0.00078 -0.00045 0.00066 186 4XZ 0.00030 -0.00048 -0.00179 -0.00033 0.00045 187 4YZ -0.00031 0.00067 0.00146 0.00046 0.00005 188 23 H 1S -0.00148 0.00242 0.00372 -0.00104 0.00045 189 2S -0.00291 0.00563 0.00933 -0.00522 -0.00187 51 52 53 54 55 51 3S 0.30208 52 3PX -0.00138 0.08584 53 3PY -0.00728 0.00186 0.08588 54 3PZ -0.00699 0.00654 0.00766 0.09074 55 4XX -0.00035 0.00491 0.00456 0.00529 0.00113 56 4YY -0.00514 0.00020 -0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 -0.00477 0.00318 -0.00239 -0.00017 58 4XY 0.00117 0.00724 -0.00004 0.00023 0.00040 59 4XZ -0.00235 0.00665 -0.00025 -0.00508 0.00023 60 4YZ 0.00250 0.00017 0.00091 0.00612 0.00042 61 5 C 1S 0.00627 0.00051 0.01398 0.00321 0.00206 62 2S 0.00956 -0.00149 -0.04158 -0.00963 -0.00506 63 2PX 0.00445 -0.00514 -0.00014 -0.00073 -0.00024 64 2PY 0.12579 0.00284 -0.14639 0.00207 -0.00708 65 2PZ -0.00424 -0.00109 -0.01480 -0.00677 0.00043 66 3S -0.03255 0.00252 -0.03364 -0.00816 -0.00421 67 3PX 0.00252 -0.00533 -0.00180 -0.00276 -0.00048 68 3PY 0.03364 0.00180 -0.06475 0.00905 -0.00296 69 3PZ -0.00816 -0.00275 -0.00906 -0.00863 -0.00045 70 4XX -0.00421 -0.00048 0.00296 -0.00045 0.00013 71 4YY 0.01297 -0.00018 -0.00461 0.00072 -0.00014 72 4ZZ -0.00656 0.00073 0.00444 0.00072 0.00028 73 4XY 0.00016 0.00535 -0.00021 0.00024 0.00031 74 4XZ 0.00163 -0.00063 0.00052 0.00015 -0.00004 75 4YZ 0.00039 -0.00012 0.00009 0.00526 0.00030 76 6 C 1S -0.00082 0.00043 -0.00685 0.00016 -0.00043 77 2S -0.01381 0.00408 0.01928 0.00716 0.00105 78 2PX -0.04768 0.00897 0.00922 0.01326 0.00160 79 2PY -0.07650 0.00860 0.05188 0.00333 0.00085 80 2PZ 0.00218 -0.00186 0.01857 0.01589 -0.00002 81 3S -0.01019 0.00772 0.01838 -0.00339 0.00059 82 3PX -0.04237 0.00407 0.01155 0.01371 0.00184 83 3PY -0.02365 0.00202 0.01565 -0.01143 -0.00079 84 3PZ 0.01383 -0.00495 0.00894 0.01345 -0.00002 85 4XX -0.00084 0.00010 0.00038 0.00079 0.00012 86 4YY 0.00541 -0.00059 -0.00566 0.00002 -0.00023 87 4ZZ -0.00338 0.00022 0.00313 -0.00023 0.00006 88 4XY 0.00077 0.00018 -0.00045 -0.00014 -0.00006 89 4XZ -0.00033 -0.00058 0.00110 -0.00060 -0.00005 90 4YZ 0.00250 -0.00018 -0.00318 -0.00055 -0.00021 91 7 H 1S 0.00354 0.00130 0.00023 -0.00070 0.00044 92 2S -0.00168 0.00383 0.00067 0.00421 0.00114 93 8 H 1S 0.04176 -0.00461 0.01304 -0.02990 -0.00119 94 2S 0.05147 -0.01219 0.01570 -0.04621 -0.00276 95 9 H 1S -0.06426 0.00613 -0.00753 0.02545 -0.00156 96 2S -0.06879 0.00960 -0.01769 0.03802 -0.00043 97 10 H 1S 0.08094 0.11186 0.04140 0.03916 0.01149 98 2S -0.00680 0.09432 0.02998 0.02566 0.01043 99 11 H 1S -0.01941 -0.01473 0.01811 -0.00845 -0.00095 100 2S -0.00380 -0.02327 0.02463 -0.00581 -0.00070 101 12 H 1S 0.04599 -0.00396 -0.03698 -0.00020 -0.00081 102 2S 0.05206 -0.00611 -0.04915 -0.00659 -0.00228 103 13 H 1S -0.03335 0.00937 0.01272 -0.01224 0.00038 104 2S -0.03229 0.01824 0.02122 -0.01141 0.00188 105 14 H 1S 0.09108 -0.07909 0.04179 0.08295 0.00243 106 2S 0.01902 -0.07322 0.03399 0.07121 0.00131 107 15 C 1S 0.00485 -0.00199 0.00085 -0.00127 -0.00017 108 2S -0.00904 0.00102 -0.00100 0.00195 0.00043 109 2PX 0.04193 -0.01623 -0.00751 -0.01814 -0.00142 110 2PY -0.00883 -0.00246 -0.00146 0.00012 0.00011 111 2PZ -0.03613 0.00600 0.01048 0.01475 0.00137 112 3S -0.04200 0.00318 0.00214 0.02034 0.00139 113 3PX 0.02840 -0.01262 -0.00969 -0.00942 -0.00147 114 3PY -0.00534 -0.00702 -0.00077 0.00151 -0.00037 115 3PZ -0.03138 0.00618 0.00395 0.01530 0.00129 116 4XX -0.00109 -0.00047 0.00025 -0.00021 0.00000 117 4YY 0.00032 0.00016 -0.00050 0.00046 0.00000 118 4ZZ 0.00204 0.00013 -0.00008 -0.00077 -0.00004 119 4XY 0.00000 0.00060 0.00040 -0.00015 0.00007 120 4XZ 0.00124 -0.00079 -0.00020 -0.00019 -0.00003 121 4YZ 0.00020 0.00027 -0.00075 0.00030 -0.00007 122 16 C 1S 0.00255 0.00447 -0.00152 -0.00310 -0.00041 123 2S -0.00749 -0.00430 -0.00069 0.00600 0.00046 124 2PX 0.01135 0.01166 0.00822 -0.00175 0.00106 125 2PY 0.00174 -0.00524 0.00237 -0.00097 0.00006 126 2PZ -0.00089 0.00415 -0.00976 0.00683 -0.00134 127 3S 0.00820 -0.00074 0.00022 -0.00599 0.00009 128 3PX 0.00614 0.01151 0.00630 -0.01038 0.00074 129 3PY -0.01294 -0.00524 -0.00020 0.00827 0.00012 130 3PZ 0.00619 -0.00038 -0.00481 -0.00123 -0.00114 131 4XX 0.00265 0.00163 0.00103 0.00221 -0.00015 132 4YY -0.00173 -0.00055 -0.00030 -0.00003 0.00004 133 4ZZ 0.00032 -0.00056 -0.00096 -0.00250 0.00005 134 4XY -0.00252 0.00074 0.00040 0.00078 0.00009 135 4XZ -0.00127 -0.00019 -0.00011 0.00054 0.00012 136 4YZ 0.00140 -0.00029 -0.00086 -0.00120 -0.00013 137 17 C 1S 0.00215 0.00092 0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00274 -0.00100 0.00004 -0.00013 139 2PX 0.00321 0.00252 0.00027 -0.00164 -0.00008 140 2PY 0.00569 -0.00021 -0.00102 -0.00025 -0.00010 141 2PZ -0.01750 -0.00966 -0.00547 0.00070 -0.00011 142 3S -0.00294 -0.00370 -0.00052 0.00040 -0.00031 143 3PX -0.00222 -0.00300 0.00295 0.00092 -0.00023 144 3PY 0.00042 -0.00015 -0.00061 -0.00171 0.00022 145 3PZ -0.00571 -0.01055 -0.00459 -0.00645 -0.00043 146 4XX 0.00118 -0.00002 -0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 -0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 0.00068 0.00184 -0.00001 149 4XY 0.00087 0.00002 0.00095 0.00079 -0.00006 150 4XZ 0.00078 -0.00006 0.00017 0.00014 -0.00002 151 4YZ -0.00189 -0.00109 -0.00100 -0.00153 0.00005 152 18 H 1S -0.00629 -0.00654 0.00366 -0.00271 0.00098 153 2S -0.00090 -0.00371 0.00288 -0.00758 0.00068 154 19 H 1S -0.01210 -0.00231 -0.00034 0.00659 0.00011 155 2S -0.00942 0.00804 0.00286 0.01557 0.00053 156 20 H 1S 0.01425 0.00070 -0.00473 -0.00305 -0.00050 157 2S 0.01825 -0.00230 -0.00674 -0.00338 -0.00091 158 21 O 1S -0.00140 0.00066 0.00031 0.00119 0.00004 159 2S 0.00520 -0.00116 -0.00170 -0.00313 -0.00018 160 2PX -0.02578 0.00458 -0.00795 0.00207 0.00035 161 2PY -0.00373 -0.01137 0.00147 -0.00663 -0.00002 162 2PZ 0.01642 0.00983 0.00789 0.00188 -0.00015 163 3S 0.00765 -0.00274 0.00055 -0.01042 -0.00035 164 3PX -0.02367 0.00319 -0.00613 0.00363 0.00055 165 3PY -0.00327 -0.00885 0.00121 -0.00584 0.00000 166 3PZ 0.01701 0.00548 0.00420 -0.00022 -0.00026 167 4XX -0.00092 0.00070 0.00017 0.00061 0.00007 168 4YY -0.00005 -0.00042 -0.00011 0.00010 0.00001 169 4ZZ 0.00064 -0.00017 -0.00045 0.00006 -0.00005 170 4XY -0.00066 0.00030 -0.00028 0.00015 0.00001 171 4XZ 0.00026 -0.00021 -0.00025 -0.00019 -0.00001 172 4YZ 0.00011 0.00039 0.00016 0.00026 0.00000 173 22 O 1S 0.00837 0.00231 0.00265 0.00095 0.00014 174 2S -0.01855 -0.00415 -0.00504 -0.00118 -0.00029 175 2PX 0.01250 0.01345 0.01906 0.02776 -0.00093 176 2PY -0.03108 -0.01808 -0.00893 -0.01362 -0.00024 177 2PZ -0.02062 -0.03042 -0.03008 -0.04823 0.00025 178 3S -0.02749 -0.01420 -0.00734 0.00314 -0.00059 179 3PX 0.00875 0.01045 0.01350 0.01961 -0.00078 180 3PY -0.01879 -0.00957 -0.00610 -0.01099 -0.00013 181 3PZ -0.01344 -0.01983 -0.02006 -0.03603 0.00032 182 4XX -0.00045 -0.00034 -0.00079 -0.00089 -0.00003 183 4YY 0.00149 0.00081 0.00051 0.00054 -0.00002 184 4ZZ -0.00029 0.00048 0.00047 -0.00017 0.00005 185 4XY -0.00034 -0.00029 -0.00084 -0.00070 0.00005 186 4XZ -0.00070 -0.00073 0.00010 0.00054 -0.00002 187 4YZ 0.00141 0.00148 0.00138 0.00194 0.00000 188 23 H 1S 0.00558 0.00050 -0.00113 -0.00515 0.00001 189 2S 0.00912 0.00122 -0.00426 -0.01009 0.00014 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY -0.00003 -0.00038 0.00096 59 4XZ 0.00007 -0.00033 0.00054 0.00130 60 4YZ -0.00025 -0.00018 0.00004 -0.00042 0.00091 61 5 C 1S -0.00683 0.00208 -0.00001 -0.00011 0.00032 62 2S 0.01180 -0.00477 0.00002 0.00018 -0.00030 63 2PX -0.00037 0.00063 -0.01155 -0.00064 0.00043 64 2PY 0.00827 -0.00813 0.00033 -0.00060 0.00007 65 2PZ 0.00046 0.00082 0.00029 0.00059 -0.01048 66 3S 0.01297 -0.00656 -0.00016 0.00163 -0.00038 67 3PX -0.00018 0.00073 -0.00535 -0.00063 0.00012 68 3PY 0.00461 -0.00444 -0.00020 -0.00052 0.00009 69 3PZ 0.00072 0.00072 -0.00024 0.00015 -0.00526 70 4XX -0.00014 0.00028 -0.00031 -0.00004 -0.00030 71 4YY -0.00006 -0.00018 0.00002 -0.00013 0.00010 72 4ZZ -0.00018 0.00011 0.00028 0.00008 0.00016 73 4XY -0.00002 -0.00028 0.00089 0.00042 -0.00003 74 4XZ -0.00013 0.00008 -0.00042 -0.00011 0.00036 75 4YZ -0.00010 -0.00016 -0.00003 -0.00036 0.00065 76 6 C 1S -0.00057 0.00018 -0.00034 -0.00007 -0.00151 77 2S 0.00088 -0.00091 0.00060 0.00013 0.00341 78 2PX 0.00257 -0.00295 -0.00054 0.00227 0.00257 79 2PY 0.00192 -0.00150 0.00070 0.00068 0.00453 80 2PZ 0.00053 0.00092 0.00295 -0.00231 0.00723 81 3S 0.00051 -0.00049 0.00114 -0.00027 0.00211 82 3PX 0.00138 -0.00226 -0.00075 0.00192 0.00124 83 3PY 0.00036 0.00067 0.00018 0.00021 0.00038 84 3PZ -0.00117 0.00161 0.00084 -0.00237 0.00342 85 4XX -0.00021 0.00010 -0.00020 -0.00014 -0.00004 86 4YY 0.00009 -0.00009 -0.00003 -0.00003 -0.00020 87 4ZZ 0.00022 -0.00005 0.00016 0.00008 0.00002 88 4XY 0.00008 -0.00001 -0.00002 -0.00002 0.00012 89 4XZ 0.00008 0.00003 -0.00028 0.00001 0.00009 90 4YZ 0.00034 -0.00021 0.00007 0.00004 0.00018 91 7 H 1S -0.00008 0.00018 0.00020 0.00062 0.00110 92 2S -0.00033 -0.00007 0.00068 0.00148 0.00253 93 8 H 1S 0.00008 -0.00017 -0.00039 -0.00149 -0.00084 94 2S -0.00017 0.00099 -0.00092 -0.00197 -0.00199 95 9 H 1S 0.00650 -0.00183 -0.00121 -0.00093 -0.00478 96 2S 0.00718 -0.00457 -0.00058 -0.00158 -0.00206 97 10 H 1S -0.00486 -0.00663 0.01023 0.00742 0.00360 98 2S -0.00282 -0.00647 0.00917 0.00856 0.00244 99 11 H 1S 0.00174 0.00161 -0.00761 -0.00092 -0.00178 100 2S -0.00149 0.00325 -0.00741 -0.00198 -0.00144 101 12 H 1S -0.00011 -0.00001 -0.00029 -0.00020 -0.00198 102 2S 0.00023 0.00044 -0.00036 -0.00044 -0.00306 103 13 H 1S 0.00276 -0.00025 0.00568 0.00208 -0.00549 104 2S -0.00032 0.00040 0.00580 0.00284 -0.00499 105 14 H 1S -0.00576 0.00363 -0.00696 -0.01312 0.00750 106 2S -0.00434 0.00445 -0.00698 -0.01252 0.00650 107 15 C 1S 0.00005 0.00010 0.00010 0.00018 -0.00019 108 2S -0.00014 -0.00004 0.00004 -0.00024 -0.00007 109 2PX 0.00112 -0.00045 -0.00026 0.00165 -0.00050 110 2PY 0.00098 -0.00111 -0.00047 0.00062 -0.00021 111 2PZ -0.00090 0.00048 0.00017 -0.00135 0.00023 112 3S 0.00026 -0.00033 -0.00040 -0.00187 0.00164 113 3PX 0.00079 0.00014 -0.00082 0.00007 0.00037 114 3PY 0.00090 -0.00036 -0.00055 -0.00044 0.00061 115 3PZ -0.00035 -0.00008 -0.00005 -0.00093 0.00080 116 4XX 0.00006 0.00003 -0.00005 0.00004 0.00002 117 4YY -0.00001 -0.00001 -0.00002 -0.00006 -0.00002 118 4ZZ -0.00001 -0.00004 0.00004 0.00010 -0.00001 119 4XY 0.00012 -0.00024 0.00000 0.00029 -0.00005 120 4XZ -0.00006 0.00009 0.00003 -0.00008 -0.00005 121 4YZ -0.00013 0.00020 -0.00001 -0.00030 0.00005 122 16 C 1S 0.00002 -0.00071 0.00011 0.00081 -0.00005 123 2S -0.00044 0.00039 -0.00043 -0.00161 0.00026 124 2PX 0.00241 -0.00460 0.00026 0.00572 -0.00064 125 2PY -0.00090 0.00118 0.00006 -0.00109 0.00024 126 2PZ -0.00246 0.00367 -0.00017 -0.00603 0.00063 127 3S -0.00193 0.00176 -0.00003 -0.00100 -0.00124 128 3PX 0.00187 -0.00343 0.00086 0.00534 -0.00131 129 3PY -0.00015 0.00076 -0.00052 -0.00189 0.00081 130 3PZ -0.00175 0.00268 -0.00002 -0.00366 -0.00021 131 4XX -0.00006 0.00024 0.00009 -0.00014 0.00006 132 4YY 0.00009 -0.00008 -0.00002 0.00004 -0.00002 133 4ZZ 0.00005 -0.00017 0.00000 0.00017 -0.00005 134 4XY -0.00006 -0.00003 0.00001 -0.00001 0.00004 135 4XZ 0.00001 -0.00016 -0.00005 -0.00002 0.00003 136 4YZ 0.00004 0.00000 0.00000 -0.00001 -0.00004 137 17 C 1S 0.00007 -0.00007 0.00013 0.00031 -0.00004 138 2S -0.00026 0.00031 -0.00022 -0.00060 0.00002 139 2PX 0.00029 -0.00045 0.00040 0.00058 -0.00003 140 2PY 0.00006 0.00004 -0.00023 -0.00013 -0.00015 141 2PZ 0.00016 0.00025 -0.00061 -0.00055 -0.00015 142 3S -0.00036 0.00070 -0.00022 -0.00098 0.00006 143 3PX -0.00004 0.00033 0.00002 -0.00021 0.00001 144 3PY 0.00001 -0.00011 0.00030 0.00028 -0.00003 145 3PZ 0.00024 -0.00014 -0.00032 -0.00007 -0.00027 146 4XX 0.00000 -0.00014 0.00004 0.00008 -0.00003 147 4YY 0.00003 -0.00003 0.00002 0.00005 -0.00002 148 4ZZ -0.00002 0.00014 -0.00004 -0.00010 0.00005 149 4XY -0.00003 0.00009 0.00003 -0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ 0.00004 -0.00005 -0.00003 0.00002 0.00002 152 18 H 1S 0.00039 -0.00090 -0.00011 0.00130 -0.00010 153 2S 0.00064 -0.00135 0.00020 0.00175 -0.00041 154 19 H 1S -0.00020 0.00062 -0.00045 -0.00073 0.00012 155 2S -0.00023 0.00073 -0.00022 -0.00062 0.00042 156 20 H 1S -0.00037 0.00053 0.00014 -0.00044 0.00009 157 2S -0.00020 0.00066 -0.00005 -0.00083 0.00029 158 21 O 1S -0.00004 -0.00007 -0.00020 -0.00011 0.00014 159 2S 0.00000 0.00014 0.00047 0.00016 -0.00015 160 2PX 0.00056 0.00002 -0.00080 -0.00059 0.00081 161 2PY -0.00024 0.00066 -0.00022 -0.00033 0.00016 162 2PZ -0.00030 -0.00126 0.00112 0.00133 -0.00077 163 3S 0.00020 -0.00016 0.00093 0.00111 -0.00109 164 3PX 0.00032 0.00000 -0.00060 -0.00059 0.00079 165 3PY -0.00020 0.00047 -0.00006 -0.00009 -0.00008 166 3PZ -0.00007 -0.00093 0.00079 0.00109 -0.00050 167 4XX -0.00005 -0.00002 0.00004 -0.00003 0.00003 168 4YY -0.00003 0.00003 0.00000 -0.00006 0.00005 169 4ZZ 0.00001 0.00004 -0.00004 -0.00004 0.00005 170 4XY 0.00001 0.00001 -0.00002 -0.00002 0.00005 171 4XZ -0.00001 0.00001 0.00005 -0.00001 -0.00001 172 4YZ -0.00005 0.00000 0.00005 -0.00002 -0.00001 173 22 O 1S -0.00007 0.00013 0.00014 0.00013 -0.00001 174 2S 0.00012 -0.00040 -0.00034 -0.00031 -0.00010 175 2PX -0.00022 0.00224 0.00076 0.00009 0.00011 176 2PY 0.00054 0.00010 -0.00014 0.00041 -0.00023 177 2PZ 0.00078 -0.00182 -0.00109 0.00039 -0.00069 178 3S 0.00044 -0.00016 -0.00080 -0.00116 0.00073 179 3PX -0.00045 0.00192 0.00051 -0.00035 -0.00011 180 3PY 0.00037 -0.00007 0.00004 0.00063 -0.00034 181 3PZ 0.00083 -0.00189 -0.00072 0.00109 -0.00072 182 4XX -0.00008 0.00010 -0.00001 -0.00016 -0.00002 183 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00004 184 4ZZ 0.00006 -0.00010 0.00003 0.00024 -0.00005 185 4XY 0.00001 -0.00010 -0.00004 -0.00003 0.00002 186 4XZ 0.00002 0.00001 -0.00007 -0.00005 0.00001 187 4YZ 0.00001 0.00001 0.00006 0.00007 0.00002 188 23 H 1S 0.00012 -0.00060 0.00026 0.00048 -0.00011 189 2S 0.00038 -0.00132 0.00035 0.00118 -0.00027 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.05341 0.30682 63 2PX -0.00089 0.00094 0.41187 64 2PY 0.00199 -0.00121 -0.00499 0.38125 65 2PZ -0.00338 0.00249 -0.00313 -0.00574 0.38896 66 3S -0.18586 0.27975 -0.00648 0.00793 -0.02478 67 3PX -0.00226 0.00385 0.18595 -0.00356 0.00070 68 3PY -0.00044 -0.00253 0.00076 0.17353 -0.00966 69 3PZ -0.00163 0.00937 0.00744 -0.00608 0.17987 70 4XX -0.01787 0.00019 0.01071 -0.01029 0.01116 71 4YY -0.01551 -0.00514 0.00056 0.01508 -0.00103 72 4ZZ -0.01630 -0.00351 -0.01052 -0.00819 -0.00581 73 4XY 0.00055 -0.00106 -0.01582 0.00029 0.00039 74 4XZ 0.00050 -0.00110 0.01495 -0.00053 -0.01186 75 4YZ 0.00140 -0.00269 -0.00003 0.00069 -0.01284 76 6 C 1S 0.01252 -0.02336 0.01707 0.02349 0.06432 77 2S -0.02297 0.03914 -0.03371 -0.04866 -0.13741 78 2PX -0.02143 0.04298 0.00053 -0.02054 -0.10106 79 2PY -0.02955 0.05546 -0.02745 -0.03153 -0.12204 80 2PZ -0.05185 0.10798 -0.08297 -0.11038 -0.23458 81 3S -0.00158 0.01521 -0.03854 -0.03619 -0.11065 82 3PX -0.00447 0.01064 0.00012 -0.00742 -0.03883 83 3PY -0.00708 0.01664 -0.00296 -0.01297 -0.01883 84 3PZ -0.00575 0.02431 -0.01548 -0.05084 -0.09079 85 4XX 0.00165 -0.00383 0.00730 0.00065 0.00545 86 4YY 0.00169 -0.00346 0.00096 0.00950 0.00365 87 4ZZ -0.00512 0.00885 -0.00570 -0.00773 0.00068 88 4XY -0.00133 0.00249 0.00081 0.00065 -0.00406 89 4XZ -0.00200 0.00367 0.00911 -0.00272 -0.00358 90 4YZ -0.00340 0.00664 -0.00319 0.00439 -0.00854 91 7 H 1S -0.00710 0.01561 -0.01136 -0.01106 -0.03375 92 2S -0.00909 0.02151 -0.02681 -0.01592 -0.06650 93 8 H 1S -0.00090 0.00147 0.00009 0.00103 -0.00298 94 2S -0.00047 -0.00005 0.00382 0.00098 0.00410 95 9 H 1S -0.00717 0.01458 -0.00151 0.03618 -0.00434 96 2S -0.00907 0.01876 -0.00484 0.06045 -0.01994 97 10 H 1S 0.00761 -0.02000 -0.02272 -0.02938 -0.00279 98 2S 0.00792 -0.01756 -0.04406 -0.05180 -0.00224 99 11 H 1S -0.05307 0.10305 0.24405 -0.09285 0.06753 100 2S -0.00471 0.02008 0.21324 -0.07584 0.05577 101 12 H 1S 0.01166 -0.02374 0.00668 0.03132 0.03240 102 2S 0.01409 -0.02635 0.01507 0.05915 0.06669 103 13 H 1S -0.05287 0.10195 -0.18026 -0.08046 0.17916 104 2S -0.00700 0.02105 -0.16495 -0.06623 0.15932 105 14 H 1S 0.00840 -0.02008 0.01885 -0.02734 -0.01614 106 2S 0.01010 -0.02084 0.03502 -0.05262 -0.02228 107 15 C 1S -0.00160 0.00237 0.00275 0.00037 -0.00219 108 2S 0.00232 -0.00724 -0.00839 0.00112 0.01167 109 2PX -0.00601 0.01599 0.01449 0.00148 -0.01969 110 2PY -0.00138 0.00411 0.00285 0.00184 -0.00129 111 2PZ 0.00521 -0.01806 -0.01389 0.00169 0.01865 112 3S 0.00606 -0.00124 -0.00166 -0.00813 -0.01872 113 3PX -0.00470 0.01725 0.02394 0.00042 -0.03174 114 3PY -0.00098 0.01047 0.00749 -0.00131 -0.02064 115 3PZ 0.00664 -0.00697 -0.00779 -0.00013 0.00120 116 4XX -0.00063 0.00056 0.00092 0.00003 -0.00036 117 4YY 0.00003 -0.00028 -0.00017 0.00039 0.00086 118 4ZZ -0.00062 0.00051 0.00050 0.00048 -0.00154 119 4XY -0.00037 0.00055 -0.00007 0.00037 -0.00068 120 4XZ 0.00066 -0.00101 -0.00114 0.00007 0.00209 121 4YZ 0.00023 -0.00046 0.00049 -0.00025 0.00104 122 16 C 1S -0.00135 0.00331 0.00010 0.00131 -0.00447 123 2S 0.00251 -0.00446 -0.00034 -0.00182 0.00621 124 2PX -0.00749 0.01643 -0.00553 0.00836 -0.02316 125 2PY 0.00026 -0.00225 0.00294 -0.00296 -0.00042 126 2PZ 0.00676 -0.01383 0.00340 -0.00671 0.01780 127 3S 0.00525 -0.02179 -0.00052 -0.00381 0.04389 128 3PX -0.00501 0.00780 -0.01195 0.01243 -0.01016 129 3PY 0.00098 0.00160 0.00919 -0.00419 -0.00923 130 3PZ 0.00472 -0.01516 0.00205 -0.00048 0.02306 131 4XX 0.00003 0.00002 -0.00010 -0.00020 -0.00037 132 4YY -0.00008 0.00002 -0.00039 0.00053 0.00052 133 4ZZ -0.00049 0.00104 0.00049 0.00051 -0.00123 134 4XY 0.00020 -0.00069 -0.00069 0.00008 0.00080 135 4XZ 0.00000 -0.00019 -0.00064 0.00001 0.00047 136 4YZ -0.00011 0.00086 0.00045 -0.00028 -0.00108 137 17 C 1S -0.00065 0.00136 0.00329 -0.00005 0.00042 138 2S 0.00155 -0.00372 -0.00906 -0.00032 -0.00082 139 2PX -0.00189 0.00416 0.00785 0.00096 0.00237 140 2PY 0.00001 0.00040 0.00185 0.00005 0.00246 141 2PZ 0.00280 -0.00422 -0.01831 0.00432 -0.00495 142 3S 0.00356 -0.00478 -0.01116 0.00019 -0.00239 143 3PX 0.00052 -0.00167 -0.00735 -0.00475 0.00092 144 3PY 0.00086 -0.00110 -0.00495 0.00071 0.00067 145 3PZ 0.00189 -0.00206 -0.01917 0.00416 -0.00710 146 4XX -0.00032 0.00025 0.00064 0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 -0.00035 -0.00005 149 4XY 0.00015 -0.00060 -0.00009 0.00014 0.00029 150 4XZ 0.00001 -0.00004 -0.00050 0.00006 0.00002 151 4YZ -0.00031 0.00062 0.00027 -0.00019 -0.00046 152 18 H 1S -0.00132 0.00099 -0.00111 0.00171 -0.00124 153 2S -0.00232 0.00125 -0.00626 0.00757 -0.00091 154 19 H 1S 0.00270 -0.00472 -0.00803 -0.00102 -0.00060 155 2S -0.00011 -0.00129 0.01068 -0.00204 0.00671 156 20 H 1S 0.00046 0.00109 0.00160 -0.00109 -0.00103 157 2S 0.00048 0.00573 0.00505 0.00098 -0.00802 158 21 O 1S -0.00055 0.00099 0.00447 -0.00124 -0.00164 159 2S 0.00228 -0.00252 -0.00961 0.00339 0.00099 160 2PX -0.00379 0.01216 0.01821 -0.00614 -0.00592 161 2PY -0.00114 -0.00118 0.00505 -0.00451 0.00075 162 2PZ 0.00311 -0.00877 -0.02212 0.00844 -0.00282 163 3S -0.00116 -0.00488 -0.02701 0.00435 0.01800 164 3PX -0.00096 0.00699 0.01209 -0.00447 -0.00652 165 3PY -0.00085 -0.00248 -0.00199 -0.00334 0.00534 166 3PZ 0.00116 -0.00346 -0.01266 0.00584 -0.00686 167 4XX 0.00046 -0.00072 -0.00019 0.00039 0.00000 168 4YY 0.00040 -0.00042 -0.00023 -0.00003 -0.00064 169 4ZZ 0.00021 0.00056 0.00143 -0.00010 -0.00159 170 4XY -0.00008 0.00060 0.00078 -0.00045 -0.00066 171 4XZ 0.00030 -0.00048 -0.00179 0.00033 0.00045 172 4YZ 0.00031 -0.00067 -0.00146 0.00046 -0.00005 173 22 O 1S 0.00035 -0.00090 -0.00001 -0.00021 0.00074 174 2S -0.00036 0.00121 0.00059 0.00149 -0.00001 175 2PX 0.00403 -0.00893 0.00209 0.00085 0.00993 176 2PY -0.00108 0.00204 0.00350 0.00314 -0.00004 177 2PZ -0.00486 0.01104 0.00418 0.00133 -0.00777 178 3S -0.00302 0.00783 -0.00134 -0.00365 -0.01230 179 3PX 0.00391 -0.00955 0.00212 0.00073 0.01197 180 3PY -0.00036 0.00118 0.00402 0.00359 0.00176 181 3PZ -0.00478 0.00936 0.00349 0.00254 -0.00680 182 4XX 0.00039 -0.00038 0.00086 0.00007 0.00102 183 4YY 0.00020 -0.00039 -0.00015 0.00010 0.00069 184 4ZZ 0.00013 0.00006 -0.00014 0.00042 -0.00005 185 4XY -0.00012 0.00032 -0.00017 0.00007 -0.00049 186 4XZ -0.00004 0.00003 -0.00017 0.00007 -0.00004 187 4YZ 0.00012 -0.00006 0.00007 -0.00019 -0.00002 188 23 H 1S -0.00148 0.00242 0.00372 0.00104 0.00045 189 2S -0.00291 0.00563 0.00933 0.00522 -0.00187 66 67 68 69 70 66 3S 0.30208 67 3PX -0.00138 0.08584 68 3PY 0.00728 -0.00186 0.08588 69 3PZ -0.00699 0.00654 -0.00766 0.09074 70 4XX -0.00035 0.00491 -0.00456 0.00529 0.00113 71 4YY -0.00513 0.00020 0.00601 -0.00086 -0.00033 72 4ZZ -0.00015 -0.00477 -0.00318 -0.00239 -0.00017 73 4XY -0.00117 -0.00724 -0.00004 -0.00023 -0.00040 74 4XZ -0.00235 0.00665 0.00025 -0.00508 0.00023 75 4YZ -0.00251 -0.00016 0.00092 -0.00612 -0.00042 76 6 C 1S 0.00258 0.00270 0.00571 0.01309 0.00197 77 2S 0.02396 -0.01328 -0.01147 -0.04403 -0.00450 78 2PX 0.09360 -0.00001 -0.01357 -0.04349 -0.00735 79 2PY 0.11180 -0.01602 0.00262 -0.05772 -0.00167 80 2PZ 0.08686 -0.03733 -0.05337 -0.11718 -0.00376 81 3S 0.00026 -0.01152 -0.00988 -0.02320 -0.00464 82 3PX 0.04852 -0.00164 -0.00132 -0.01621 -0.00411 83 3PY 0.02854 0.00036 -0.00475 -0.00274 0.00008 84 3PZ -0.00063 -0.00753 -0.02377 -0.04788 0.00009 85 4XX -0.00365 0.00317 0.00081 0.00129 0.00055 86 4YY -0.00684 0.00064 0.00362 0.00256 -0.00029 87 4ZZ 0.01172 -0.00266 -0.00391 -0.00033 0.00004 88 4XY 0.00382 0.00044 -0.00012 -0.00239 -0.00017 89 4XZ 0.00372 0.00422 -0.00107 -0.00117 0.00026 90 4YZ 0.00655 -0.00139 0.00183 -0.00426 -0.00039 91 7 H 1S 0.04176 -0.00462 -0.01304 -0.02990 -0.00119 92 2S 0.05147 -0.01219 -0.01569 -0.04621 -0.00276 93 8 H 1S 0.00354 0.00130 -0.00023 -0.00070 0.00044 94 2S -0.00168 0.00383 -0.00067 0.00421 0.00114 95 9 H 1S 0.04599 -0.00396 0.03698 -0.00019 -0.00081 96 2S 0.05206 -0.00610 0.04915 -0.00658 -0.00228 97 10 H 1S -0.01941 -0.01473 -0.01811 -0.00846 -0.00095 98 2S -0.00381 -0.02327 -0.02463 -0.00582 -0.00070 99 11 H 1S 0.08094 0.11186 -0.04141 0.03914 0.01149 100 2S -0.00680 0.09432 -0.02999 0.02565 0.01043 101 12 H 1S -0.06426 0.00613 0.00753 0.02545 -0.00156 102 2S -0.06879 0.00961 0.01768 0.03802 -0.00043 103 13 H 1S 0.09108 -0.07908 -0.04180 0.08295 0.00243 104 2S 0.01902 -0.07322 -0.03400 0.07121 0.00131 105 14 H 1S -0.03335 0.00937 -0.01272 -0.01225 0.00039 106 2S -0.03228 0.01824 -0.02122 -0.01141 0.00188 107 15 C 1S 0.00255 0.00447 0.00152 -0.00310 -0.00041 108 2S -0.00748 -0.00430 0.00069 0.00600 0.00046 109 2PX 0.01134 0.01166 -0.00823 -0.00175 0.00106 110 2PY -0.00173 0.00523 0.00237 0.00097 -0.00006 111 2PZ -0.00088 0.00415 0.00976 0.00682 -0.00134 112 3S 0.00821 -0.00074 -0.00022 -0.00599 0.00009 113 3PX 0.00613 0.01151 -0.00630 -0.01038 0.00074 114 3PY 0.01294 0.00524 -0.00020 -0.00826 -0.00012 115 3PZ 0.00620 -0.00038 0.00481 -0.00123 -0.00114 116 4XX 0.00265 0.00163 -0.00103 0.00221 -0.00015 117 4YY -0.00173 -0.00055 0.00030 -0.00003 0.00004 118 4ZZ 0.00031 -0.00056 0.00096 -0.00250 0.00005 119 4XY 0.00252 -0.00074 0.00040 -0.00078 -0.00009 120 4XZ -0.00127 -0.00019 0.00011 0.00054 0.00012 121 4YZ -0.00140 0.00029 -0.00086 0.00121 0.00013 122 16 C 1S 0.00485 -0.00199 -0.00085 -0.00127 -0.00017 123 2S -0.00904 0.00102 0.00100 0.00195 0.00043 124 2PX 0.04192 -0.01622 0.00751 -0.01813 -0.00142 125 2PY 0.00883 0.00246 -0.00146 -0.00012 -0.00011 126 2PZ -0.03612 0.00600 -0.01048 0.01474 0.00137 127 3S -0.04200 0.00318 -0.00214 0.02034 0.00139 128 3PX 0.02839 -0.01261 0.00969 -0.00941 -0.00147 129 3PY 0.00534 0.00701 -0.00077 -0.00151 0.00037 130 3PZ -0.03137 0.00618 -0.00395 0.01530 0.00129 131 4XX -0.00109 -0.00047 -0.00025 -0.00021 0.00000 132 4YY 0.00032 0.00016 0.00051 0.00046 0.00000 133 4ZZ 0.00204 0.00013 0.00008 -0.00077 -0.00004 134 4XY 0.00000 -0.00060 0.00040 0.00015 -0.00007 135 4XZ 0.00124 -0.00079 0.00020 -0.00018 -0.00003 136 4YZ -0.00020 -0.00027 -0.00075 -0.00030 0.00007 137 17 C 1S 0.00215 0.00092 -0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00274 0.00100 0.00004 -0.00013 139 2PX 0.00321 0.00252 -0.00027 -0.00165 -0.00008 140 2PY -0.00569 0.00021 -0.00102 0.00025 0.00010 141 2PZ -0.01749 -0.00966 0.00547 0.00070 -0.00011 142 3S -0.00294 -0.00370 0.00052 0.00040 -0.00031 143 3PX -0.00222 -0.00300 -0.00295 0.00092 -0.00023 144 3PY -0.00042 0.00015 -0.00061 0.00171 -0.00022 145 3PZ -0.00571 -0.01055 0.00459 -0.00644 -0.00043 146 4XX 0.00117 -0.00002 0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 -0.00068 0.00184 -0.00001 149 4XY -0.00087 -0.00002 0.00095 -0.00079 0.00006 150 4XZ 0.00078 -0.00006 -0.00017 0.00014 -0.00002 151 4YZ 0.00189 0.00109 -0.00100 0.00153 -0.00005 152 18 H 1S 0.01424 0.00070 0.00473 -0.00305 -0.00050 153 2S 0.01825 -0.00230 0.00674 -0.00338 -0.00091 154 19 H 1S -0.01209 -0.00231 0.00034 0.00659 0.00011 155 2S -0.00941 0.00804 -0.00286 0.01557 0.00053 156 20 H 1S -0.00629 -0.00654 -0.00366 -0.00271 0.00098 157 2S -0.00091 -0.00371 -0.00287 -0.00757 0.00068 158 21 O 1S 0.00837 0.00231 -0.00265 0.00095 0.00014 159 2S -0.01855 -0.00415 0.00504 -0.00118 -0.00029 160 2PX 0.01251 0.01345 -0.01906 0.02776 -0.00093 161 2PY 0.03108 0.01809 -0.00894 0.01363 0.00024 162 2PZ -0.02063 -0.03042 0.03008 -0.04822 0.00025 163 3S -0.02749 -0.01420 0.00734 0.00313 -0.00059 164 3PX 0.00876 0.01045 -0.01350 0.01961 -0.00078 165 3PY 0.01879 0.00958 -0.00611 0.01099 0.00013 166 3PZ -0.01345 -0.01983 0.02007 -0.03602 0.00032 167 4XX -0.00045 -0.00034 0.00079 -0.00089 -0.00003 168 4YY 0.00149 0.00081 -0.00051 0.00054 -0.00002 169 4ZZ -0.00030 0.00048 -0.00047 -0.00017 0.00005 170 4XY 0.00034 0.00029 -0.00084 0.00070 -0.00005 171 4XZ -0.00070 -0.00073 -0.00010 0.00054 -0.00002 172 4YZ -0.00141 -0.00148 0.00138 -0.00194 0.00000 173 22 O 1S -0.00140 0.00066 -0.00032 0.00120 0.00004 174 2S 0.00521 -0.00116 0.00170 -0.00313 -0.00018 175 2PX -0.02577 0.00458 0.00795 0.00207 0.00035 176 2PY 0.00374 0.01137 0.00147 0.00662 0.00002 177 2PZ 0.01641 0.00983 -0.00789 0.00189 -0.00015 178 3S 0.00765 -0.00274 -0.00055 -0.01042 -0.00035 179 3PX -0.02365 0.00319 0.00613 0.00363 0.00055 180 3PY 0.00328 0.00885 0.00121 0.00583 0.00000 181 3PZ 0.01700 0.00548 -0.00420 -0.00022 -0.00026 182 4XX -0.00092 0.00070 -0.00017 0.00061 0.00007 183 4YY -0.00005 -0.00042 0.00011 0.00010 0.00001 184 4ZZ 0.00064 -0.00017 0.00045 0.00006 -0.00004 185 4XY 0.00066 -0.00030 -0.00028 -0.00015 -0.00001 186 4XZ 0.00026 -0.00021 0.00025 -0.00019 -0.00001 187 4YZ -0.00011 -0.00039 0.00016 -0.00026 0.00000 188 23 H 1S 0.00557 0.00050 0.00113 -0.00515 0.00001 189 2S 0.00911 0.00122 0.00426 -0.01009 0.00014 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00033 0.00105 73 4XY 0.00003 0.00038 0.00096 74 4XZ 0.00007 -0.00033 -0.00054 0.00130 75 4YZ 0.00025 0.00018 0.00004 0.00042 0.00091 76 6 C 1S 0.00081 -0.00457 -0.00115 -0.00264 -0.00410 77 2S -0.00222 0.00848 0.00204 0.00524 0.00767 78 2PX -0.00072 0.00573 -0.00143 -0.00785 0.00392 79 2PY -0.00983 0.00739 -0.00103 0.00343 -0.00341 80 2PZ -0.00225 0.00104 0.00361 0.00571 0.00869 81 3S -0.00177 0.00861 0.00248 0.00331 0.00612 82 3PX -0.00125 0.00455 -0.00119 -0.00506 0.00155 83 3PY -0.00342 0.00229 -0.00060 0.00034 -0.00276 84 3PZ -0.00014 -0.00148 0.00104 0.00512 0.00415 85 4XX -0.00011 -0.00043 -0.00026 0.00024 -0.00030 86 4YY 0.00085 -0.00039 0.00005 -0.00016 0.00031 87 4ZZ -0.00055 0.00029 0.00009 -0.00052 -0.00033 88 4XY 0.00004 -0.00001 -0.00006 -0.00012 0.00008 89 4XZ -0.00019 -0.00011 -0.00038 0.00062 0.00002 90 4YZ 0.00020 -0.00009 0.00013 0.00011 0.00031 91 7 H 1S 0.00007 -0.00017 0.00039 -0.00149 0.00084 92 2S -0.00017 0.00099 0.00092 -0.00196 0.00199 93 8 H 1S -0.00008 0.00018 -0.00020 0.00062 -0.00110 94 2S -0.00033 -0.00007 -0.00068 0.00148 -0.00253 95 9 H 1S -0.00011 -0.00001 0.00029 -0.00020 0.00198 96 2S 0.00023 0.00044 0.00036 -0.00044 0.00306 97 10 H 1S 0.00174 0.00161 0.00761 -0.00092 0.00178 98 2S -0.00149 0.00325 0.00741 -0.00198 0.00144 99 11 H 1S -0.00486 -0.00663 -0.01023 0.00742 -0.00360 100 2S -0.00282 -0.00647 -0.00917 0.00856 -0.00244 101 12 H 1S 0.00650 -0.00183 0.00121 -0.00093 0.00479 102 2S 0.00718 -0.00457 0.00058 -0.00158 0.00206 103 13 H 1S -0.00576 0.00363 0.00696 -0.01312 -0.00750 104 2S -0.00434 0.00445 0.00698 -0.01252 -0.00650 105 14 H 1S 0.00276 -0.00025 -0.00568 0.00207 0.00549 106 2S -0.00032 0.00040 -0.00580 0.00284 0.00499 107 15 C 1S 0.00002 -0.00071 -0.00011 0.00080 0.00005 108 2S -0.00044 0.00039 0.00043 -0.00161 -0.00026 109 2PX 0.00241 -0.00460 -0.00026 0.00572 0.00064 110 2PY 0.00090 -0.00118 0.00006 0.00109 0.00024 111 2PZ -0.00246 0.00367 0.00017 -0.00603 -0.00063 112 3S -0.00193 0.00176 0.00003 -0.00100 0.00124 113 3PX 0.00187 -0.00343 -0.00086 0.00534 0.00131 114 3PY 0.00015 -0.00076 -0.00052 0.00189 0.00081 115 3PZ -0.00175 0.00268 0.00002 -0.00366 0.00021 116 4XX -0.00006 0.00024 -0.00009 -0.00014 -0.00006 117 4YY 0.00009 -0.00008 0.00002 0.00004 0.00002 118 4ZZ 0.00005 -0.00017 0.00000 0.00017 0.00005 119 4XY 0.00006 0.00003 0.00001 0.00001 0.00004 120 4XZ 0.00001 -0.00016 0.00005 -0.00002 -0.00003 121 4YZ -0.00004 0.00000 0.00000 0.00001 -0.00004 122 16 C 1S 0.00005 0.00010 -0.00010 0.00018 0.00019 123 2S -0.00014 -0.00004 -0.00004 -0.00024 0.00007 124 2PX 0.00112 -0.00045 0.00026 0.00165 0.00050 125 2PY -0.00098 0.00111 -0.00047 -0.00062 -0.00021 126 2PZ -0.00090 0.00048 -0.00017 -0.00135 -0.00023 127 3S 0.00026 -0.00033 0.00040 -0.00187 -0.00163 128 3PX 0.00079 0.00014 0.00082 0.00007 -0.00037 129 3PY -0.00090 0.00036 -0.00055 0.00044 0.00061 130 3PZ -0.00035 -0.00008 0.00005 -0.00093 -0.00080 131 4XX 0.00006 0.00003 0.00005 0.00004 -0.00002 132 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00002 133 4ZZ -0.00001 -0.00004 -0.00004 0.00010 0.00001 134 4XY -0.00012 0.00024 0.00000 -0.00029 -0.00005 135 4XZ -0.00006 0.00009 -0.00003 -0.00008 0.00005 136 4YZ 0.00013 -0.00020 -0.00001 0.00030 0.00005 137 17 C 1S 0.00007 -0.00007 -0.00013 0.00031 0.00004 138 2S -0.00026 0.00031 0.00022 -0.00060 -0.00002 139 2PX 0.00029 -0.00045 -0.00040 0.00058 0.00003 140 2PY -0.00006 -0.00004 -0.00023 0.00013 -0.00015 141 2PZ 0.00016 0.00025 0.00061 -0.00055 0.00014 142 3S -0.00036 0.00070 0.00022 -0.00098 -0.00006 143 3PX -0.00004 0.00033 -0.00002 -0.00021 -0.00001 144 3PY -0.00001 0.00011 0.00030 -0.00028 -0.00003 145 3PZ 0.00024 -0.00014 0.00032 -0.00007 0.00027 146 4XX 0.00000 -0.00014 -0.00004 0.00008 0.00003 147 4YY 0.00003 -0.00003 -0.00002 0.00005 0.00002 148 4ZZ -0.00002 0.00014 0.00004 -0.00010 -0.00005 149 4XY 0.00003 -0.00009 0.00003 0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ -0.00004 0.00005 -0.00003 -0.00002 0.00002 152 18 H 1S -0.00037 0.00053 -0.00014 -0.00044 -0.00009 153 2S -0.00020 0.00066 0.00005 -0.00083 -0.00029 154 19 H 1S -0.00020 0.00062 0.00045 -0.00073 -0.00012 155 2S -0.00022 0.00073 0.00022 -0.00062 -0.00042 156 20 H 1S 0.00039 -0.00090 0.00011 0.00130 0.00010 157 2S 0.00064 -0.00135 -0.00020 0.00175 0.00041 158 21 O 1S -0.00007 0.00013 -0.00014 0.00013 0.00001 159 2S 0.00012 -0.00040 0.00034 -0.00031 0.00010 160 2PX -0.00022 0.00224 -0.00076 0.00009 -0.00011 161 2PY -0.00054 -0.00010 -0.00014 -0.00041 -0.00023 162 2PZ 0.00078 -0.00182 0.00109 0.00040 0.00069 163 3S 0.00044 -0.00016 0.00080 -0.00116 -0.00073 164 3PX -0.00045 0.00192 -0.00051 -0.00035 0.00011 165 3PY -0.00037 0.00007 0.00004 -0.00063 -0.00034 166 3PZ 0.00083 -0.00189 0.00072 0.00109 0.00072 167 4XX -0.00008 0.00010 0.00001 -0.00016 0.00002 168 4YY -0.00001 0.00000 0.00003 0.00000 0.00004 169 4ZZ 0.00006 -0.00010 -0.00003 0.00024 0.00005 170 4XY -0.00001 0.00010 -0.00004 0.00003 0.00002 171 4XZ 0.00002 0.00001 0.00007 -0.00005 -0.00001 172 4YZ -0.00001 -0.00001 0.00006 -0.00007 0.00002 173 22 O 1S -0.00004 -0.00007 0.00020 -0.00011 -0.00014 174 2S 0.00000 0.00014 -0.00047 0.00016 0.00015 175 2PX 0.00056 0.00002 0.00080 -0.00059 -0.00081 176 2PY 0.00024 -0.00066 -0.00022 0.00033 0.00016 177 2PZ -0.00030 -0.00126 -0.00112 0.00133 0.00077 178 3S 0.00020 -0.00016 -0.00093 0.00111 0.00109 179 3PX 0.00032 0.00000 0.00060 -0.00059 -0.00079 180 3PY 0.00020 -0.00047 -0.00006 0.00009 -0.00008 181 3PZ -0.00007 -0.00093 -0.00079 0.00109 0.00050 182 4XX -0.00005 -0.00002 -0.00004 -0.00003 -0.00003 183 4YY -0.00003 0.00003 0.00000 -0.00006 -0.00005 184 4ZZ 0.00001 0.00004 0.00004 -0.00004 -0.00005 185 4XY -0.00001 -0.00001 -0.00002 0.00002 0.00005 186 4XZ -0.00001 0.00001 -0.00005 -0.00001 0.00001 187 4YZ 0.00005 0.00000 0.00005 0.00002 -0.00001 188 23 H 1S 0.00012 -0.00060 -0.00026 0.00048 0.00011 189 2S 0.00038 -0.00132 -0.00035 0.00118 0.00027 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.06133 0.32633 78 2PX 0.00315 -0.00484 0.35438 79 2PY 0.00192 0.00376 -0.02302 0.41151 80 2PZ 0.00214 0.00093 0.04000 0.00391 0.38401 81 3S -0.19781 0.29070 0.01226 -0.00351 -0.02808 82 3PX -0.00758 0.01604 0.19638 0.01983 -0.03216 83 3PY -0.00758 -0.00820 -0.00466 0.13002 -0.01758 84 3PZ 0.00297 -0.00462 -0.04853 -0.01429 0.17019 85 4XX -0.01132 -0.01296 -0.00888 0.00494 -0.00137 86 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 87 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 88 4XY 0.00162 -0.00345 0.00762 0.00005 0.00415 89 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00116 90 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 91 7 H 1S 0.01338 -0.02791 0.03270 -0.00422 0.03215 92 2S 0.01887 -0.03229 0.07740 0.00141 0.06794 93 8 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 94 2S -0.01234 0.02410 -0.06562 0.03044 -0.02984 95 9 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 96 2S -0.00361 0.01394 0.03434 0.02542 -0.00578 97 10 H 1S -0.00421 0.01109 0.01222 0.01109 0.01093 98 2S -0.00628 0.01442 0.02774 0.02015 0.01336 99 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 100 2S 0.01421 -0.02688 -0.08199 -0.01217 -0.02899 101 12 H 1S -0.05969 0.11295 0.02940 -0.26415 -0.02266 102 2S -0.01311 0.02597 0.00926 -0.24493 -0.02200 103 13 H 1S 0.00810 -0.02346 -0.00301 -0.00514 -0.02613 104 2S 0.01255 -0.02989 0.00776 -0.01031 -0.05903 105 14 H 1S -0.00194 0.00810 -0.00893 0.00399 0.02444 106 2S -0.00257 0.00829 -0.01197 0.01246 0.03386 107 15 C 1S -0.00195 0.00260 -0.00844 -0.00428 0.00244 108 2S 0.00084 -0.01172 0.01026 0.00288 -0.00673 109 2PX 0.00439 -0.00254 -0.10010 -0.03475 0.05650 110 2PY -0.00057 0.00517 -0.02521 -0.01767 0.00963 111 2PZ -0.00772 0.01091 0.08815 0.02313 -0.05946 112 3S 0.01939 -0.00897 0.03370 0.03756 0.01772 113 3PX -0.00116 0.00240 -0.06900 -0.02650 0.05827 114 3PY 0.00042 0.00592 -0.01878 0.00966 0.01998 115 3PZ 0.00289 0.00280 0.07192 0.01844 -0.02544 116 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 117 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 118 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 119 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 120 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 121 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 122 16 C 1S -0.00096 0.00325 0.00345 0.00441 -0.00066 123 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 124 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 125 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 126 2PZ 0.00542 -0.01607 -0.01141 -0.00645 0.00572 127 3S -0.00390 -0.01547 -0.01234 -0.04106 -0.01992 128 3PX -0.00525 0.01582 0.01446 0.00809 -0.01701 129 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 130 3PZ 0.00095 -0.01384 -0.02188 -0.00944 -0.00461 131 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 132 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 133 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 134 4XY -0.00037 0.00017 0.00560 0.00231 -0.00325 135 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 136 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 137 17 C 1S 0.00031 0.00016 -0.00231 -0.00028 0.00028 138 2S -0.00014 0.00011 0.00529 0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00790 -0.00130 0.00107 140 2PY 0.00029 -0.00035 -0.00363 0.00068 -0.00186 141 2PZ -0.00089 0.00172 -0.00117 -0.00103 0.00273 142 3S -0.00166 -0.00067 0.01412 0.00313 -0.00051 143 3PX 0.00070 0.00066 -0.00054 0.00011 0.00161 144 3PY -0.00010 0.00080 0.00118 -0.00034 -0.00115 145 3PZ -0.00012 0.00144 -0.01063 -0.00170 0.00865 146 4XX 0.00047 -0.00028 -0.00261 -0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00260 0.00051 -0.00089 149 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 150 4XZ -0.00011 0.00015 0.00004 -0.00016 -0.00005 151 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 152 18 H 1S -0.00218 0.00570 0.01887 0.00820 -0.01269 153 2S -0.00428 0.00822 0.02245 0.01241 -0.02171 154 19 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 155 2S -0.00192 0.00051 0.01929 0.00327 -0.01359 156 20 H 1S 0.00600 -0.01492 -0.02504 -0.00207 0.02148 157 2S 0.00674 -0.01323 -0.02737 -0.00708 0.02822 158 21 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 159 2S 0.00144 -0.00357 -0.00922 -0.00011 0.00160 160 2PX -0.00871 0.01382 0.06019 0.01145 -0.01992 161 2PY -0.00185 0.00158 0.00860 -0.00100 -0.00434 162 2PZ 0.00815 -0.00917 -0.05234 -0.01313 0.02773 163 3S -0.00560 -0.00093 -0.01763 -0.00057 -0.01791 164 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 165 3PY -0.00167 0.00082 0.00514 -0.00137 -0.00722 166 3PZ 0.00725 -0.00761 -0.04914 -0.01410 0.03125 167 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 168 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 169 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 170 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 171 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 172 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 173 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00037 174 2S -0.00033 0.00189 0.00261 0.00159 -0.00241 175 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 176 2PY 0.00012 -0.00069 -0.00506 -0.00592 0.00207 177 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 178 3S 0.00417 0.00260 -0.00465 0.00354 0.01628 179 3PX 0.00087 -0.00950 -0.00799 -0.00668 0.00036 180 3PY -0.00084 -0.00063 -0.00069 -0.00534 -0.00211 181 3PZ -0.00100 0.00695 -0.00651 -0.00313 0.00013 182 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 183 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 184 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 185 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 186 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 187 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 188 23 H 1S 0.00142 -0.00087 -0.01077 -0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02158 -0.00370 0.00567 81 82 83 84 85 81 3S 0.30062 82 3PX 0.02130 0.12489 83 3PY 0.00563 0.00625 0.05321 84 3PZ -0.02582 -0.05271 -0.01514 0.09657 85 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 86 4YY 0.00386 0.00113 -0.00652 -0.00038 -0.00052 87 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 88 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 89 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 90 4YZ 0.00060 0.00006 -0.00162 0.00357 -0.00014 91 7 H 1S -0.05771 0.01770 -0.01040 0.00730 0.00307 92 2S -0.05898 0.03769 -0.01146 0.01284 0.00157 93 8 H 1S 0.04153 -0.02562 0.00659 -0.01358 0.00034 94 2S 0.04888 -0.04371 0.01573 -0.01524 0.00109 95 9 H 1S 0.00542 0.01175 -0.00990 -0.00326 -0.00021 96 2S 0.01443 0.02816 -0.00401 -0.00905 -0.00090 97 10 H 1S 0.01103 0.00908 -0.00455 0.00279 -0.00024 98 2S 0.01061 0.02204 -0.00342 -0.00197 -0.00114 99 11 H 1S -0.03205 -0.01668 0.00583 0.00221 0.00458 100 2S -0.04475 -0.04621 -0.00375 0.01692 0.00610 101 12 H 1S 0.11235 0.00497 -0.08410 -0.00407 -0.00852 102 2S 0.03320 -0.01111 -0.07232 0.00215 -0.00500 103 13 H 1S -0.01620 0.00409 0.00732 -0.02954 -0.00244 104 2S -0.01438 0.01446 0.00677 -0.04306 -0.00103 105 14 H 1S -0.00361 -0.00076 -0.00944 0.02497 0.00137 106 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 107 15 C 1S 0.00479 0.00166 -0.00191 0.00396 -0.00149 108 2S 0.00189 -0.00231 0.00686 -0.00722 0.00264 109 2PX -0.00879 -0.06595 -0.01521 0.05403 -0.00496 110 2PY -0.00296 -0.01543 -0.00272 0.01962 -0.00346 111 2PZ 0.03434 0.06245 0.01960 -0.05024 0.00291 112 3S 0.00633 0.00810 0.01663 -0.00659 0.00472 113 3PX -0.01131 -0.04893 -0.01406 0.04816 -0.00307 114 3PY -0.00143 -0.01365 -0.00006 0.01789 -0.00193 115 3PZ 0.01277 0.04704 0.01041 -0.03220 0.00247 116 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 117 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 118 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 119 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 120 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 121 4YZ 0.00001 -0.00252 0.00115 -0.00021 0.00043 122 16 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 123 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 124 2PX -0.01556 0.01645 -0.02124 -0.00019 -0.00642 125 2PY 0.00887 0.01834 0.00077 -0.01980 0.00218 126 2PZ 0.00403 -0.02241 0.01483 -0.00082 0.00551 127 3S -0.00131 -0.00671 -0.00008 -0.00728 0.00314 128 3PX -0.00104 0.01959 -0.01035 -0.00997 -0.00457 129 3PY 0.00791 -0.00144 0.00611 -0.00096 0.00247 130 3PZ 0.00823 -0.02259 0.01129 -0.00260 0.00448 131 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 132 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 133 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 134 4XY 0.00075 0.00378 0.00101 -0.00331 0.00023 135 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 136 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 137 17 C 1S -0.00427 -0.00078 -0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 139 2PX -0.01577 -0.00104 -0.00454 0.00865 0.00021 140 2PY -0.00790 0.00266 0.00141 0.00228 0.00035 141 2PZ 0.01036 -0.00060 0.00641 0.00420 -0.00101 142 3S 0.00771 0.00510 0.00322 -0.00672 0.00069 143 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 144 3PY 0.00406 0.00168 0.00206 -0.00054 -0.00023 145 3PZ -0.00685 -0.00525 -0.00533 0.00992 -0.00113 146 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 149 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 150 4XZ 0.00051 -0.00013 -0.00009 -0.00040 -0.00006 151 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 152 18 H 1S 0.00327 0.01991 -0.00385 -0.01165 -0.00039 153 2S 0.00517 0.02252 -0.00369 -0.01651 -0.00120 154 19 H 1S 0.02157 0.00373 0.01273 -0.00671 -0.00017 155 2S 0.03434 0.00894 0.02260 -0.01662 0.00052 156 20 H 1S -0.01941 -0.02450 -0.00644 0.01187 0.00237 157 2S -0.02512 -0.02494 -0.01127 0.01827 0.00128 158 21 O 1S -0.00071 -0.00229 -0.00274 -0.00410 0.00035 159 2S 0.00712 0.00370 0.00817 0.00912 -0.00046 160 2PX 0.06013 0.03305 0.03525 -0.03603 -0.00293 161 2PY 0.03805 -0.01207 0.00554 -0.01762 -0.00031 162 2PZ -0.09378 -0.02386 -0.05512 0.04421 0.00201 163 3S 0.00110 0.00861 0.00729 0.00834 -0.00246 164 3PX 0.04691 0.02865 0.02790 -0.02875 -0.00148 165 3PY 0.02465 -0.00708 0.00346 -0.01326 -0.00033 166 3PZ -0.06964 -0.02557 -0.04140 0.04032 0.00128 167 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 168 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 169 4ZZ 0.00016 -0.00189 0.00023 0.00145 -0.00001 170 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 171 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 172 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 173 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 174 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 175 2PX 0.01339 -0.00598 0.01719 0.00465 0.00284 176 2PY 0.01503 -0.01029 0.00351 0.00627 -0.00057 177 2PZ -0.00938 -0.00676 -0.01291 0.01134 -0.00300 178 3S -0.02204 -0.00576 -0.01075 0.01416 -0.00127 179 3PX 0.00989 -0.00764 0.01269 0.00164 0.00285 180 3PY 0.01202 -0.00556 0.00296 0.00119 -0.00037 181 3PZ -0.00808 -0.00205 -0.01200 0.00636 -0.00270 182 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 183 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 184 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 185 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 186 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 187 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 188 23 H 1S -0.01834 -0.00437 -0.01007 0.00827 0.00012 189 2S -0.02970 -0.00959 -0.01786 0.01474 -0.00027 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00073 0.00145 88 4XY -0.00013 0.00035 0.00042 89 4XZ -0.00039 0.00006 -0.00009 0.00069 90 4YZ 0.00011 0.00004 0.00027 -0.00008 0.00065 91 7 H 1S -0.00535 0.00632 0.00349 0.00387 0.00211 92 2S -0.00515 0.00695 0.00520 0.00176 0.00393 93 8 H 1S -0.00257 0.00002 0.00085 0.00030 0.00058 94 2S -0.00387 -0.00050 0.00037 0.00117 0.00017 95 9 H 1S 0.00086 -0.00008 -0.00059 -0.00022 0.00041 96 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 97 10 H 1S -0.00155 0.00123 -0.00018 -0.00082 -0.00098 98 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 99 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 100 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 101 12 H 1S 0.01671 -0.00993 -0.00154 -0.00194 0.00170 102 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 103 13 H 1S -0.00242 0.00811 -0.00106 -0.00402 -0.00144 104 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 105 14 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 106 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 107 15 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 108 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 109 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 110 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 111 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 112 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 113 3PX 0.00184 -0.00014 -0.00135 0.00369 0.00132 114 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 115 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 116 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 117 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 118 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 119 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 120 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 121 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 122 16 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 123 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 124 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 125 2PY -0.00126 -0.00002 -0.00057 -0.00109 0.00046 126 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 127 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 128 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 129 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 130 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 131 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 132 4YY 0.00000 -0.00004 0.00002 -0.00003 -0.00001 133 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 134 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 135 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 136 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 137 17 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 138 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 139 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 140 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 141 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 142 3S -0.00020 -0.00002 0.00016 -0.00112 0.00013 143 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 144 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 145 3PZ 0.00041 0.00050 -0.00026 0.00024 0.00028 146 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 147 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 149 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 150 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 151 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 152 18 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 153 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 155 2S -0.00042 -0.00083 0.00028 -0.00005 -0.00029 156 20 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 157 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 158 21 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 159 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 160 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 161 2PY 0.00000 -0.00001 -0.00031 0.00046 -0.00005 162 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 163 3S 0.00010 0.00027 -0.00047 0.00070 -0.00071 164 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 165 3PY 0.00005 0.00007 -0.00030 0.00019 -0.00017 166 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 167 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 168 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 169 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 170 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 171 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 172 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 173 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 174 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 175 2PX -0.00074 -0.00252 0.00087 -0.00148 -0.00036 176 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 177 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 178 3S 0.00029 0.00152 0.00019 0.00050 0.00001 179 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 180 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 181 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 182 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 183 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 184 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 185 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 188 23 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 189 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02222 -0.02568 0.21693 94 2S -0.02568 -0.03291 0.17899 0.17163 95 9 H 1S -0.00941 -0.01833 -0.02289 -0.02724 0.21714 96 2S -0.02008 -0.02682 -0.02757 -0.03410 0.17586 97 10 H 1S 0.00342 0.01033 -0.00882 -0.02288 -0.01340 98 2S 0.00712 0.01814 -0.02136 -0.03822 -0.01059 99 11 H 1S -0.00882 -0.02288 0.00342 0.01033 -0.00724 100 2S -0.02136 -0.03822 0.00712 0.01814 -0.01154 101 12 H 1S -0.02289 -0.02724 -0.00941 -0.01833 0.00159 102 2S -0.02758 -0.03410 -0.02008 -0.02682 -0.00152 103 13 H 1S -0.00034 -0.00360 -0.00063 -0.00022 -0.00529 104 2S -0.00120 -0.00328 -0.00021 -0.00044 -0.01224 105 14 H 1S -0.00063 -0.00022 -0.00034 -0.00360 -0.00897 106 2S -0.00021 -0.00044 -0.00120 -0.00327 -0.00567 107 15 C 1S -0.00015 -0.00151 -0.00005 0.00058 -0.00154 108 2S -0.00040 0.00011 -0.00019 -0.00103 0.00206 109 2PX -0.00505 -0.01517 0.00044 0.00607 0.00479 110 2PY -0.00069 -0.00607 -0.00075 -0.00444 0.00970 111 2PZ 0.00682 0.00957 -0.00028 -0.00384 -0.00401 112 3S 0.00376 0.00975 -0.00200 -0.00662 0.02037 113 3PX -0.00141 -0.00671 -0.00181 0.00104 0.00386 114 3PY 0.00192 -0.00049 -0.00061 -0.00090 0.01137 115 3PZ 0.01246 0.01873 -0.00424 -0.00986 -0.00076 116 4XX 0.00035 0.00029 -0.00016 -0.00018 -0.00022 117 4YY -0.00008 -0.00018 -0.00019 -0.00042 0.00017 118 4ZZ 0.00003 0.00021 -0.00006 0.00012 -0.00023 119 4XY -0.00004 0.00046 -0.00041 -0.00102 0.00116 120 4XZ 0.00002 -0.00056 0.00004 0.00048 -0.00024 121 4YZ -0.00023 -0.00024 0.00040 0.00077 -0.00057 122 16 C 1S -0.00005 0.00058 -0.00015 -0.00151 0.00408 123 2S -0.00019 -0.00103 -0.00040 0.00011 -0.00634 124 2PX 0.00044 0.00606 -0.00505 -0.01516 0.01727 125 2PY 0.00075 0.00444 0.00069 0.00607 -0.01446 126 2PZ -0.00028 -0.00384 0.00682 0.00957 -0.00486 127 3S -0.00200 -0.00661 0.00376 0.00975 -0.02950 128 3PX -0.00181 0.00104 -0.00141 -0.00671 0.01403 129 3PY 0.00061 0.00090 -0.00192 0.00048 0.00486 130 3PZ -0.00424 -0.00986 0.01246 0.01872 -0.00815 131 4XX -0.00016 -0.00018 0.00035 0.00029 0.00033 132 4YY -0.00019 -0.00042 -0.00008 -0.00018 0.00113 133 4ZZ -0.00006 0.00012 0.00003 0.00021 -0.00055 134 4XY 0.00041 0.00103 0.00004 -0.00046 -0.00137 135 4XZ 0.00004 0.00048 0.00002 -0.00056 -0.00012 136 4YZ -0.00040 -0.00077 0.00023 0.00024 0.00127 137 17 C 1S 0.00003 -0.00020 0.00003 -0.00020 0.00003 138 2S 0.00031 0.00145 0.00031 0.00145 -0.00057 139 2PX -0.00016 -0.00178 -0.00016 -0.00178 -0.00048 140 2PY -0.00010 -0.00108 0.00010 0.00108 0.00079 141 2PZ 0.00117 0.00026 0.00117 0.00026 0.00233 142 3S 0.00014 0.00175 0.00014 0.00175 -0.00148 143 3PX 0.00114 0.00061 0.00114 0.00061 -0.00031 144 3PY 0.00068 0.00008 -0.00068 -0.00008 -0.00086 145 3PZ 0.00049 0.00033 0.00049 0.00033 0.00146 146 4XX -0.00009 -0.00015 -0.00009 -0.00015 -0.00016 147 4YY -0.00008 -0.00005 -0.00008 -0.00005 0.00008 148 4ZZ 0.00028 0.00025 0.00028 0.00025 0.00006 149 4XY -0.00019 -0.00050 0.00019 0.00050 0.00003 150 4XZ -0.00003 -0.00001 -0.00003 -0.00001 0.00021 151 4YZ 0.00017 0.00019 -0.00017 -0.00019 -0.00029 152 18 H 1S 0.00096 0.00362 -0.00193 -0.00036 -0.00805 153 2S -0.00010 0.00234 0.00431 0.00495 -0.00435 154 19 H 1S 0.00108 0.00093 0.00108 0.00093 0.00045 155 2S 0.00129 0.00051 0.00129 0.00051 0.00001 156 20 H 1S -0.00193 -0.00036 0.00095 0.00362 -0.00202 157 2S 0.00431 0.00495 -0.00010 0.00234 -0.00285 158 21 O 1S 0.00019 0.00148 -0.00010 -0.00077 0.00027 159 2S 0.00028 -0.00270 0.00005 0.00190 -0.00065 160 2PX 0.00315 0.00742 -0.00034 -0.00462 -0.00042 161 2PY -0.00017 -0.00121 0.00008 0.00423 -0.00414 162 2PZ -0.00406 -0.00152 -0.00141 -0.00297 0.00615 163 3S -0.00398 -0.00955 0.00235 0.00493 -0.00284 164 3PX 0.00455 0.00836 -0.00114 -0.00490 0.00000 165 3PY -0.00079 -0.00169 0.00027 0.00317 -0.00403 166 3PZ -0.00269 -0.00184 -0.00126 -0.00197 0.00529 167 4XX 0.00028 0.00063 -0.00010 -0.00028 -0.00014 168 4YY 0.00012 0.00018 -0.00015 0.00000 0.00004 169 4ZZ 0.00003 -0.00002 0.00007 0.00022 0.00006 170 4XY 0.00020 0.00051 -0.00012 -0.00030 -0.00017 171 4XZ -0.00012 -0.00021 0.00005 0.00015 0.00000 172 4YZ 0.00002 0.00026 0.00001 0.00001 -0.00008 173 22 O 1S -0.00010 -0.00077 0.00019 0.00148 0.00030 174 2S 0.00005 0.00190 0.00028 -0.00270 -0.00116 175 2PX -0.00034 -0.00462 0.00315 0.00741 0.00314 176 2PY -0.00008 -0.00423 0.00017 0.00120 -0.00246 177 2PZ -0.00141 -0.00298 -0.00406 -0.00151 -0.00083 178 3S 0.00235 0.00493 -0.00398 -0.00955 0.00162 179 3PX -0.00114 -0.00489 0.00455 0.00836 0.00071 180 3PY -0.00027 -0.00317 0.00079 0.00169 -0.00217 181 3PZ -0.00126 -0.00198 -0.00269 -0.00184 0.00107 182 4XX -0.00010 -0.00028 0.00028 0.00063 -0.00078 183 4YY -0.00015 0.00000 0.00012 0.00018 0.00045 184 4ZZ 0.00007 0.00022 0.00003 -0.00002 -0.00011 185 4XY 0.00012 0.00030 -0.00020 -0.00051 -0.00008 186 4XZ 0.00005 0.00015 -0.00012 -0.00021 -0.00013 187 4YZ -0.00001 -0.00001 -0.00002 -0.00026 0.00054 188 23 H 1S -0.00069 -0.00122 -0.00069 -0.00122 -0.00050 189 2S -0.00181 -0.00266 -0.00181 -0.00266 0.00055 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00728 0.21593 98 2S -0.00004 0.16994 0.16628 99 11 H 1S -0.01829 -0.02780 -0.03451 0.21593 100 2S -0.02512 -0.03451 -0.04555 0.16994 0.16628 101 12 H 1S -0.00152 -0.00724 -0.01154 -0.01340 -0.01059 102 2S -0.00431 -0.01829 -0.02512 -0.00728 -0.00004 103 13 H 1S -0.01306 0.01701 0.03244 -0.02500 -0.05357 104 2S -0.01808 0.03048 0.04130 -0.05205 -0.06142 105 14 H 1S -0.00497 -0.02500 -0.05357 0.01701 0.03245 106 2S -0.00227 -0.05205 -0.06142 0.03048 0.04131 107 15 C 1S -0.00261 0.00009 -0.00157 0.00211 0.00286 108 2S 0.00377 0.00017 0.00337 -0.00547 -0.00626 109 2PX -0.00464 -0.00264 0.00525 0.01758 0.01629 110 2PY 0.01643 -0.00031 0.00814 0.00282 0.00554 111 2PZ 0.00639 0.00232 -0.00186 -0.01902 -0.03806 112 3S 0.02623 0.00046 0.00730 -0.00477 -0.01426 113 3PX -0.00368 -0.00974 -0.00638 0.02014 0.02388 114 3PY 0.01246 -0.00532 0.00234 0.00649 0.00532 115 3PZ 0.00671 0.00139 0.00015 -0.01303 -0.02557 116 4XX 0.00028 0.00007 0.00073 -0.00031 -0.00458 117 4YY 0.00015 -0.00031 -0.00071 0.00002 0.00153 118 4ZZ -0.00083 0.00031 0.00002 0.00078 0.00305 119 4XY 0.00147 0.00088 0.00118 -0.00019 -0.00009 120 4XZ -0.00089 -0.00045 -0.00037 -0.00020 0.00037 121 4YZ -0.00104 -0.00090 -0.00185 0.00044 -0.00013 122 16 C 1S 0.00292 0.00211 0.00286 0.00009 -0.00157 123 2S -0.00297 -0.00547 -0.00626 0.00017 0.00337 124 2PX 0.02259 0.01758 0.01629 -0.00264 0.00526 125 2PY -0.01733 -0.00282 -0.00553 0.00031 -0.00814 126 2PZ -0.01181 -0.01902 -0.03805 0.00232 -0.00186 127 3S -0.02847 -0.00477 -0.01425 0.00046 0.00730 128 3PX 0.01789 0.02014 0.02387 -0.00973 -0.00637 129 3PY 0.00477 -0.00649 -0.00532 0.00531 -0.00234 130 3PZ -0.01338 -0.01302 -0.02556 0.00139 0.00015 131 4XX -0.00067 -0.00031 -0.00458 0.00007 0.00073 132 4YY 0.00161 0.00002 0.00153 -0.00031 -0.00071 133 4ZZ -0.00050 0.00078 0.00305 0.00031 0.00002 134 4XY -0.00017 0.00019 0.00010 -0.00088 -0.00118 135 4XZ 0.00046 -0.00020 0.00037 -0.00045 -0.00037 136 4YZ 0.00062 -0.00044 0.00013 0.00090 0.00185 137 17 C 1S 0.00032 0.00189 0.00272 0.00189 0.00272 138 2S -0.00251 -0.00550 -0.00660 -0.00550 -0.00661 139 2PX 0.00236 0.00397 0.00748 0.00397 0.00748 140 2PY -0.00311 -0.00120 -0.00478 0.00120 0.00478 141 2PZ 0.00527 -0.00842 -0.00090 -0.00842 -0.00090 142 3S -0.00319 -0.00813 -0.01072 -0.00813 -0.01072 143 3PX 0.00078 -0.00445 -0.00292 -0.00445 -0.00292 144 3PY -0.00100 0.00431 0.00729 -0.00431 -0.00729 145 3PZ 0.00219 -0.00991 0.00070 -0.00991 0.00070 146 4XX -0.00032 0.00060 0.00160 0.00060 0.00160 147 4YY 0.00021 0.00010 0.00112 0.00010 0.00112 148 4ZZ 0.00022 -0.00049 -0.00256 -0.00049 -0.00256 149 4XY -0.00011 -0.00027 -0.00147 0.00027 0.00147 150 4XZ 0.00000 -0.00039 -0.00094 -0.00039 -0.00094 151 4YZ 0.00036 0.00016 0.00313 -0.00016 -0.00313 152 18 H 1S -0.00416 0.00507 0.01533 -0.00257 -0.00622 153 2S -0.00116 0.00721 0.01714 -0.00698 -0.01089 154 19 H 1S 0.00163 -0.00401 -0.00757 -0.00401 -0.00757 155 2S 0.00218 0.00596 -0.00842 0.00596 -0.00843 156 20 H 1S -0.00894 -0.00257 -0.00622 0.00507 0.01533 157 2S -0.01063 -0.00697 -0.01089 0.00721 0.01713 158 21 O 1S 0.00064 -0.00029 -0.00186 0.00247 -0.00390 159 2S -0.00182 0.00059 0.00405 -0.00571 0.00520 160 2PX 0.00852 -0.00035 0.00766 0.00293 -0.03406 161 2PY -0.00308 -0.00238 0.00835 0.00146 -0.03724 162 2PZ 0.00134 0.00405 -0.00691 -0.00480 0.06462 163 3S -0.00272 0.00244 0.01126 -0.01333 0.00937 164 3PX 0.00714 0.00061 0.00768 -0.00015 -0.02980 165 3PY -0.00308 -0.00185 0.00726 -0.00175 -0.02632 166 3PZ 0.00040 0.00295 -0.00401 -0.00079 0.04875 167 4XX 0.00008 0.00050 0.00018 -0.00054 0.00006 168 4YY -0.00003 -0.00015 0.00006 -0.00055 -0.00276 169 4ZZ -0.00024 -0.00026 -0.00050 0.00098 0.00098 170 4XY 0.00002 0.00004 0.00018 0.00014 -0.00087 171 4XZ -0.00006 -0.00001 0.00030 -0.00117 -0.00114 172 4YZ -0.00028 -0.00004 -0.00058 -0.00064 0.00220 173 22 O 1S -0.00252 0.00247 -0.00390 -0.00029 -0.00186 174 2S 0.00539 -0.00571 0.00520 0.00059 0.00405 175 2PX -0.00053 0.00293 -0.03405 -0.00035 0.00766 176 2PY 0.00904 -0.00146 0.03722 0.00238 -0.00835 177 2PZ -0.00038 -0.00480 0.06462 0.00406 -0.00691 178 3S 0.01045 -0.01333 0.00937 0.00244 0.01126 179 3PX -0.00212 -0.00015 -0.02980 0.00061 0.00767 180 3PY 0.00531 0.00175 0.02631 0.00185 -0.00726 181 3PZ 0.00269 -0.00079 0.04875 0.00295 -0.00401 182 4XX -0.00088 -0.00054 0.00006 0.00050 0.00018 183 4YY -0.00030 -0.00055 -0.00276 -0.00015 0.00006 184 4ZZ 0.00018 0.00098 0.00098 -0.00026 -0.00050 185 4XY 0.00009 -0.00014 0.00087 -0.00004 -0.00018 186 4XZ 0.00014 -0.00117 -0.00114 -0.00001 0.00030 187 4YZ 0.00048 0.00064 -0.00220 0.00004 0.00058 188 23 H 1S -0.00051 0.00266 0.00727 0.00266 0.00727 189 2S 0.00035 0.00702 0.01618 0.00702 0.01619 101 102 103 104 105 101 12 H 1S 0.21713 102 2S 0.17586 0.16496 103 13 H 1S -0.00897 -0.00497 0.21529 104 2S -0.00567 -0.00227 0.17308 0.15894 105 14 H 1S -0.00529 -0.01306 -0.03157 -0.03522 0.21529 106 2S -0.01224 -0.01808 -0.03522 -0.03753 0.17308 107 15 C 1S 0.00408 0.00292 -0.00263 -0.00281 -0.00124 108 2S -0.00634 -0.00297 0.00805 0.01140 0.00104 109 2PX 0.01726 0.02259 -0.02531 -0.05156 -0.00605 110 2PY 0.01446 0.01732 -0.00457 -0.00982 -0.00206 111 2PZ -0.00486 -0.01181 0.02413 0.05074 0.00384 112 3S -0.02949 -0.02846 -0.00338 0.00315 0.01568 113 3PX 0.01402 0.01789 -0.03165 -0.05086 0.00285 114 3PY -0.00485 -0.00477 -0.01292 -0.02065 0.00665 115 3PZ -0.00815 -0.01338 0.01169 0.02778 0.00496 116 4XX 0.00033 -0.00067 0.00042 0.00044 -0.00012 117 4YY 0.00113 0.00161 -0.00006 -0.00015 0.00033 118 4ZZ -0.00055 -0.00050 -0.00121 -0.00139 -0.00055 119 4XY 0.00137 0.00017 -0.00009 -0.00071 -0.00128 120 4XZ -0.00012 0.00046 0.00067 0.00051 0.00051 121 4YZ -0.00127 -0.00062 0.00002 0.00017 0.00126 122 16 C 1S -0.00154 -0.00261 -0.00124 -0.00321 -0.00263 123 2S 0.00206 0.00376 0.00104 0.00341 0.00805 124 2PX 0.00479 -0.00464 -0.00605 -0.02198 -0.02531 125 2PY -0.00970 -0.01643 0.00206 0.00740 0.00457 126 2PZ -0.00401 0.00638 0.00384 0.01342 0.02413 127 3S 0.02037 0.02622 0.01568 0.02780 -0.00337 128 3PX 0.00386 -0.00368 0.00285 -0.00369 -0.03165 129 3PY -0.01136 -0.01246 -0.00665 -0.00430 0.01293 130 3PZ -0.00076 0.00671 0.00496 0.01379 0.01169 131 4XX -0.00022 0.00028 -0.00012 0.00000 0.00042 132 4YY 0.00017 0.00015 0.00033 0.00033 -0.00006 133 4ZZ -0.00023 -0.00083 -0.00055 -0.00111 -0.00121 134 4XY -0.00116 -0.00147 0.00128 0.00256 0.00009 135 4XZ -0.00024 -0.00089 0.00051 0.00036 0.00067 136 4YZ 0.00057 0.00104 -0.00126 -0.00282 -0.00002 137 17 C 1S 0.00003 0.00032 -0.00112 -0.00173 -0.00112 138 2S -0.00057 -0.00251 0.00309 0.00488 0.00309 139 2PX -0.00048 0.00236 -0.00252 -0.00483 -0.00252 140 2PY -0.00079 0.00311 0.00028 0.00067 -0.00028 141 2PZ 0.00233 0.00527 0.00308 0.00345 0.00308 142 3S -0.00148 -0.00319 0.00385 0.00721 0.00385 143 3PX -0.00031 0.00078 0.00343 0.00266 0.00343 144 3PY 0.00086 0.00100 0.00247 0.00303 -0.00247 145 3PZ 0.00146 0.00219 0.00142 -0.00121 0.00142 146 4XX -0.00016 -0.00032 -0.00055 -0.00102 -0.00055 147 4YY 0.00008 0.00021 -0.00024 -0.00017 -0.00024 148 4ZZ 0.00006 0.00022 0.00047 0.00083 0.00047 149 4XY -0.00003 0.00011 -0.00017 0.00030 0.00017 150 4XZ 0.00021 0.00000 0.00018 0.00000 0.00018 151 4YZ 0.00029 -0.00036 0.00005 -0.00052 -0.00005 152 18 H 1S -0.00202 -0.00894 0.00248 0.00447 -0.00511 153 2S -0.00285 -0.01063 0.00465 0.00591 -0.00978 154 19 H 1S 0.00045 0.00163 0.00355 0.00647 0.00355 155 2S 0.00001 0.00218 0.00220 0.00728 0.00219 156 20 H 1S -0.00805 -0.00416 -0.00511 -0.01065 0.00248 157 2S -0.00435 -0.00116 -0.00977 -0.01718 0.00465 158 21 O 1S 0.00030 -0.00252 -0.00177 -0.00270 0.00058 159 2S -0.00116 0.00539 0.00218 0.00417 -0.00069 160 2PX 0.00314 -0.00053 -0.00116 -0.00434 0.00313 161 2PY 0.00246 -0.00903 0.00041 -0.00207 0.00275 162 2PZ -0.00082 -0.00038 -0.00144 0.00443 -0.00692 163 3S 0.00162 0.01044 0.01641 0.01705 -0.00618 164 3PX 0.00071 -0.00212 -0.00080 -0.00079 0.00336 165 3PY 0.00216 -0.00531 0.00446 0.00283 0.00131 166 3PZ 0.00107 0.00269 -0.00561 -0.00444 -0.00539 167 4XX -0.00078 -0.00088 0.00021 0.00130 0.00001 168 4YY 0.00045 -0.00030 -0.00032 -0.00042 0.00039 169 4ZZ -0.00011 0.00018 -0.00157 -0.00217 0.00029 170 4XY 0.00008 -0.00009 -0.00023 -0.00037 0.00021 171 4XZ -0.00013 0.00014 0.00065 0.00047 -0.00001 172 4YZ -0.00054 -0.00048 0.00028 0.00097 0.00001 173 22 O 1S 0.00027 0.00064 0.00058 0.00121 -0.00177 174 2S -0.00065 -0.00182 -0.00069 -0.00104 0.00218 175 2PX -0.00042 0.00852 0.00313 0.01764 -0.00116 176 2PY 0.00413 0.00308 -0.00275 -0.00414 -0.00041 177 2PZ 0.00615 0.00134 -0.00692 -0.02057 -0.00143 178 3S -0.00284 -0.00272 -0.00617 -0.01247 0.01641 179 3PX 0.00000 0.00714 0.00336 0.01545 -0.00081 180 3PY 0.00403 0.00308 -0.00131 -0.00143 -0.00446 181 3PZ 0.00529 0.00040 -0.00539 -0.01639 -0.00561 182 4XX -0.00014 0.00008 0.00001 0.00042 0.00021 183 4YY 0.00004 -0.00003 0.00039 0.00062 -0.00032 184 4ZZ 0.00006 -0.00024 0.00029 0.00048 -0.00157 185 4XY 0.00017 -0.00002 -0.00021 -0.00079 0.00023 186 4XZ 0.00000 -0.00006 -0.00001 -0.00008 0.00065 187 4YZ 0.00008 0.00028 -0.00001 0.00007 -0.00028 188 23 H 1S -0.00049 -0.00051 -0.00241 -0.00501 -0.00241 189 2S 0.00055 0.00036 -0.00705 -0.01207 -0.00705 106 107 108 109 110 106 2S 0.15894 107 15 C 1S -0.00321 2.05255 108 2S 0.00341 -0.06339 0.33288 109 2PX -0.02198 0.01203 -0.01861 0.34621 110 2PY -0.00740 -0.00506 0.01303 0.04015 0.43070 111 2PZ 0.01342 0.01511 -0.02721 -0.02220 0.02892 112 3S 0.02780 -0.17203 0.27248 -0.09834 -0.01737 113 3PX -0.00369 0.01878 -0.03665 0.16688 0.03759 114 3PY 0.00430 -0.00736 0.00397 0.05104 0.12293 115 3PZ 0.01380 0.00256 -0.01650 -0.08140 -0.01243 116 4XX 0.00000 -0.01177 -0.01308 0.01163 -0.00701 117 4YY 0.00033 -0.01725 -0.00102 -0.00623 0.01259 118 4ZZ -0.00110 -0.01571 -0.00410 -0.00185 -0.01309 119 4XY -0.00256 -0.00020 0.00034 -0.00113 0.00496 120 4XZ 0.00036 -0.00345 0.00809 0.01110 -0.00916 121 4YZ 0.00282 -0.00424 0.00860 -0.01262 -0.00768 122 16 C 1S -0.00281 0.01947 -0.04084 0.01342 -0.08014 123 2S 0.01140 -0.04084 0.07591 -0.02567 0.16580 124 2PX -0.05156 0.01341 -0.02566 0.16092 0.01947 125 2PY 0.00981 0.08014 -0.16581 -0.01944 -0.32465 126 2PZ 0.05074 -0.01089 0.01980 -0.09935 -0.03390 127 3S 0.00316 0.00180 0.02807 -0.06626 0.12944 128 3PX -0.05086 0.00344 -0.00367 0.09437 0.01942 129 3PY 0.02065 0.00105 -0.01886 -0.02433 -0.10079 130 3PZ 0.02778 -0.00661 0.01818 -0.06393 -0.03852 131 4XX 0.00044 0.00325 -0.00759 -0.00048 -0.01313 132 4YY -0.00015 -0.00653 0.01193 0.00092 0.00799 133 4ZZ -0.00139 0.00346 -0.00793 0.00233 -0.01007 134 4XY 0.00070 -0.00007 0.00037 -0.01259 -0.00563 135 4XZ 0.00051 0.00133 -0.00307 0.00017 -0.00448 136 4YZ -0.00017 -0.00081 0.00172 0.00512 -0.00037 137 17 C 1S -0.00173 -0.00316 0.00630 0.00913 0.01013 138 2S 0.00488 0.00672 -0.01756 -0.02192 -0.03219 139 2PX -0.00483 -0.01114 0.02806 0.02080 0.01616 140 2PY -0.00067 -0.00217 0.00474 0.03530 -0.02090 141 2PZ 0.00345 -0.00866 0.02121 0.03431 0.02128 142 3S 0.00721 0.00988 -0.01226 -0.04433 -0.05398 143 3PX 0.00266 -0.00779 0.01318 0.01209 0.01701 144 3PY -0.00303 -0.00139 0.00393 0.03155 -0.00045 145 3PZ -0.00121 -0.00626 0.01180 0.03279 0.02176 146 4XX -0.00102 -0.00162 0.00400 0.00735 -0.00167 147 4YY -0.00017 0.00217 -0.00464 -0.00888 0.00517 148 4ZZ 0.00083 -0.00094 0.00176 0.00479 -0.00206 149 4XY -0.00030 -0.00103 0.00239 0.00015 0.00067 150 4XZ 0.00000 -0.00005 0.00046 0.00443 0.00026 151 4YZ 0.00052 0.00000 -0.00012 0.00418 0.00250 152 18 H 1S -0.01065 0.01654 -0.03648 0.00832 -0.04030 153 2S -0.01718 0.02040 -0.04063 0.02370 -0.06419 154 19 H 1S 0.00647 -0.00290 0.00541 0.00916 -0.00538 155 2S 0.00728 -0.00329 0.00506 -0.00164 -0.00259 156 20 H 1S 0.00447 -0.06820 0.13566 -0.06571 -0.16919 157 2S 0.00591 -0.02048 0.04650 -0.03957 -0.13843 158 21 O 1S 0.00121 0.00537 -0.00687 -0.02953 0.00841 159 2S -0.00104 -0.00988 0.01073 0.06593 -0.03095 160 2PX 0.01765 0.05683 -0.12360 -0.16690 0.10828 161 2PY 0.00414 -0.02549 0.05167 0.09862 -0.03175 162 2PZ -0.02057 0.03477 -0.06520 -0.17837 0.07012 163 3S -0.01247 0.01403 -0.02640 0.06857 0.04042 164 3PX 0.01545 0.02658 -0.06226 -0.10152 0.05729 165 3PY 0.00143 -0.01946 0.03879 0.07144 -0.02508 166 3PZ -0.01639 0.01512 -0.02656 -0.08268 0.04075 167 4XX 0.00042 -0.00369 0.00604 -0.00642 -0.00823 168 4YY 0.00062 -0.00126 0.00120 0.00465 -0.00050 169 4ZZ 0.00048 -0.00089 0.00060 0.00146 -0.00487 170 4XY 0.00079 0.00464 -0.00907 -0.00889 -0.00340 171 4XZ -0.00008 -0.00489 0.00780 0.00431 -0.00310 172 4YZ -0.00007 0.00277 -0.00505 -0.01130 -0.00410 173 22 O 1S -0.00269 -0.00177 0.00495 0.00445 0.00162 174 2S 0.00416 0.00716 -0.01548 -0.01396 -0.01726 175 2PX -0.00434 -0.01256 0.02727 -0.07076 0.03231 176 2PY 0.00206 -0.02271 0.05458 0.02753 0.05833 177 2PZ 0.00443 0.00199 -0.00189 0.04869 0.05123 178 3S 0.01705 -0.00338 -0.00397 -0.01643 0.03057 179 3PX -0.00079 -0.00941 0.02046 -0.05943 0.01728 180 3PY -0.00283 -0.01410 0.03728 0.01911 0.03996 181 3PZ -0.00444 0.00235 -0.00388 0.04772 0.04115 182 4XX 0.00130 0.00027 0.00014 -0.00368 -0.00416 183 4YY -0.00042 0.00139 -0.00234 -0.00091 -0.00258 184 4ZZ -0.00217 0.00102 -0.00120 0.00256 -0.00250 185 4XY 0.00037 -0.00070 0.00154 0.00303 0.00608 186 4XZ 0.00047 -0.00006 0.00020 0.00117 0.00136 187 4YZ -0.00097 -0.00092 0.00213 0.00170 0.00473 188 23 H 1S -0.00501 -0.00481 0.01264 0.02124 -0.00579 189 2S -0.01207 -0.00436 0.01309 0.04172 0.00555 111 112 113 114 115 111 2PZ 0.37882 112 3S -0.02416 0.30239 113 3PX -0.08370 -0.06511 0.10753 114 3PY -0.01636 0.00109 0.03278 0.05313 115 3PZ 0.16316 0.01249 -0.06592 -0.02382 0.09325 116 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 117 4YY -0.00557 -0.00003 0.00019 0.00171 -0.00081 118 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 119 4XY -0.01133 0.00070 0.00125 0.00301 -0.00445 120 4XZ 0.00702 0.00262 0.00148 -0.00128 -0.00020 121 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 122 16 C 1S -0.01091 0.00180 0.00344 -0.00105 -0.00661 123 2S 0.01984 0.02807 -0.00368 0.01885 0.01819 124 2PX -0.09936 -0.06624 0.09437 0.02434 -0.06393 125 2PY 0.03382 -0.12946 -0.01940 -0.10079 0.03849 126 2PZ 0.11877 0.07404 -0.05074 -0.02189 0.08163 127 3S 0.07408 -0.02100 -0.03377 -0.01285 0.04416 128 3PX -0.05074 -0.03376 0.04459 0.01944 -0.04239 129 3PY 0.02186 0.01283 -0.01943 -0.02620 0.02098 130 3PZ 0.08162 0.04414 -0.04239 -0.02098 0.04845 131 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 132 4YY 0.00075 0.01065 -0.00134 0.00339 -0.00132 133 4ZZ -0.00380 -0.00858 0.00231 -0.00223 -0.00162 134 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 135 4XZ -0.00034 -0.00377 0.00085 -0.00203 0.00145 136 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 137 17 C 1S 0.00381 0.00669 0.00601 0.00710 0.00104 138 2S -0.01020 -0.01116 -0.01085 -0.01567 0.00197 139 2PX 0.02271 0.04028 0.01474 0.00225 0.01111 140 2PY 0.03815 -0.01438 0.02862 -0.02780 0.02414 141 2PZ 0.00270 0.03382 0.02619 0.00357 -0.00501 142 3S -0.00799 0.00698 -0.01790 -0.02482 0.01203 143 3PX 0.01130 0.01714 0.00544 0.00312 0.00396 144 3PY 0.03294 -0.00616 0.00958 -0.00234 0.00879 145 3PZ -0.00868 0.00196 0.02104 0.01079 -0.01368 146 4XX 0.00610 0.00032 0.00299 0.00046 0.00146 147 4YY -0.00718 -0.00421 -0.00355 0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00142 -0.00190 0.00199 149 4XY 0.00422 0.00110 -0.00345 0.00191 -0.00079 150 4XZ 0.00260 -0.00244 0.00084 0.00049 0.00028 151 4YZ -0.00145 0.00005 0.00061 0.00299 -0.00240 152 18 H 1S 0.00080 -0.06701 -0.00166 -0.02500 0.00188 153 2S 0.00812 -0.06605 0.00133 -0.02216 -0.00048 154 19 H 1S 0.00812 0.02076 0.00569 -0.00940 0.00564 155 2S 0.02478 0.03060 -0.00485 -0.01303 0.01768 156 20 H 1S -0.19079 0.13823 -0.01463 -0.04023 -0.06420 157 2S -0.15453 0.05309 0.00286 -0.02942 -0.05324 158 21 O 1S -0.02341 0.03366 0.00189 0.00927 0.00881 159 2S 0.05396 -0.08566 -0.00925 -0.02010 -0.02162 160 2PX -0.18558 -0.03605 -0.02842 0.01431 -0.03341 161 2PY 0.06633 0.06385 -0.00554 0.04340 0.00082 162 2PZ -0.08072 -0.07379 -0.06531 0.02439 -0.03147 163 3S 0.04690 -0.14502 -0.00223 -0.00576 -0.03622 164 3PX -0.09086 -0.00385 -0.02098 0.00216 -0.00671 165 3PY 0.04917 0.04536 -0.00214 0.02759 0.00145 166 3PZ -0.05659 -0.04402 -0.02604 0.01819 -0.02934 167 4XX 0.00738 0.00707 -0.00484 -0.00343 0.00474 168 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 169 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 170 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 171 4XZ -0.00128 0.00512 0.00089 -0.00065 -0.00174 172 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 173 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 174 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 175 2PX 0.04710 0.05190 -0.06278 -0.00293 0.01590 176 2PY 0.01348 0.11865 -0.01226 0.07004 -0.02566 177 2PZ -0.05766 -0.02258 0.04579 0.04206 -0.04491 178 3S -0.06694 0.06992 0.00817 0.04760 -0.02587 179 3PX 0.04760 0.04013 -0.05124 -0.00649 0.02006 180 3PY 0.01437 0.07832 -0.00944 0.04592 -0.01464 181 3PZ -0.05144 -0.02363 0.03962 0.03261 -0.03818 182 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 183 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 184 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 185 4XY -0.00085 -0.00119 0.00307 0.00152 -0.00019 186 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 187 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 188 23 H 1S 0.01274 0.00895 0.01224 -0.00075 0.00418 189 2S 0.00475 -0.00501 0.02403 0.00974 -0.00722 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00081 0.00124 118 4ZZ -0.00057 -0.00025 0.00166 119 4XY -0.00068 0.00016 0.00042 0.00146 120 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 121 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 122 16 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 123 2S -0.00759 0.01193 -0.00794 -0.00037 -0.00307 124 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 125 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00448 126 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 127 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 128 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 129 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 130 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 131 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 132 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 133 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 134 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 135 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 136 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 137 17 C 1S -0.00035 0.00097 -0.00113 -0.00146 -0.00001 138 2S 0.00109 -0.00241 0.00264 0.00346 0.00075 139 2PX -0.00363 0.00310 -0.00371 -0.00387 -0.00315 140 2PY 0.00023 0.00267 -0.00408 -0.00847 -0.00029 141 2PZ -0.00250 0.00292 -0.00353 -0.00433 -0.00326 142 3S -0.00051 -0.00182 0.00211 0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 -0.00192 -0.00119 144 3PY 0.00246 -0.00101 -0.00153 -0.00349 0.00166 145 3PZ -0.00320 0.00132 0.00096 -0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 -0.00034 -0.00016 149 4XY -0.00018 -0.00054 0.00069 0.00038 0.00063 150 4XZ 0.00044 -0.00030 0.00005 0.00031 0.00052 151 4YZ 0.00103 -0.00052 -0.00028 0.00013 0.00022 152 18 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 153 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 154 19 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 156 20 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 157 2S -0.00710 -0.00114 0.00781 0.00503 0.00106 158 21 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 159 2S 0.01018 -0.00416 0.00085 -0.01094 0.01112 160 2PX 0.00967 0.00837 -0.01393 0.00470 -0.02047 161 2PY 0.01247 -0.01670 0.00483 0.01114 0.01396 162 2PZ -0.02966 0.00733 0.02319 0.01509 -0.00360 163 3S 0.00914 -0.00037 -0.00054 -0.01372 0.00833 164 3PX 0.00838 0.00484 -0.01121 0.00028 -0.01239 165 3PY 0.00827 -0.01109 0.00302 0.00644 0.00952 166 3PZ -0.02041 0.00452 0.01586 0.00910 -0.00057 167 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 168 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 169 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 170 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 171 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 172 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 173 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 174 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 175 2PX 0.00181 -0.00322 -0.00312 -0.00571 -0.00061 176 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 177 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 178 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 179 3PX 0.00099 -0.00166 -0.00235 -0.00407 -0.00033 180 3PY 0.00137 -0.00393 -0.00031 -0.00219 0.00114 181 3PZ -0.00131 -0.00071 0.00283 -0.00122 0.00133 182 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 183 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 184 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 185 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 186 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 187 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 188 23 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 189 2S -0.00562 0.00070 0.00375 0.00106 0.00177 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00081 2.05255 123 2S -0.00171 -0.06339 0.33288 124 2PX -0.00512 0.01203 -0.01861 0.34620 125 2PY -0.00038 0.00506 -0.01302 -0.04015 0.43070 126 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02891 127 3S -0.00372 -0.17204 0.27249 -0.09836 0.01738 128 3PX -0.00559 0.01878 -0.03666 0.16688 -0.03758 129 3PY 0.00309 0.00736 -0.00396 -0.05103 0.12294 130 3PZ 0.00723 0.00255 -0.01649 -0.08140 0.01242 131 4XX 0.00047 -0.01177 -0.01308 0.01163 0.00701 132 4YY -0.00007 -0.01725 -0.00102 -0.00623 -0.01259 133 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01309 134 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 135 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 136 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00768 137 17 C 1S -0.00168 -0.00316 0.00630 0.00913 -0.01013 138 2S 0.00394 0.00672 -0.01756 -0.02192 0.03219 139 2PX -0.00431 -0.01114 0.02806 0.02081 -0.01616 140 2PY -0.00716 0.00217 -0.00474 -0.03531 -0.02089 141 2PZ -0.00376 -0.00866 0.02121 0.03430 -0.02128 142 3S 0.00486 0.00988 -0.01226 -0.04433 0.05398 143 3PX -0.00177 -0.00779 0.01318 0.01209 -0.01702 144 3PY -0.00356 0.00139 -0.00393 -0.03155 -0.00044 145 3PZ -0.00289 -0.00626 0.01180 0.03279 -0.02176 146 4XX -0.00033 -0.00162 0.00400 0.00735 0.00167 147 4YY -0.00008 0.00217 -0.00464 -0.00888 -0.00517 148 4ZZ 0.00022 -0.00094 0.00176 0.00479 0.00206 149 4XY -0.00005 0.00103 -0.00239 -0.00015 0.00067 150 4XZ 0.00015 -0.00005 0.00046 0.00443 -0.00026 151 4YZ 0.00040 0.00000 0.00012 -0.00419 0.00250 152 18 H 1S -0.00732 -0.06820 0.13565 -0.06568 0.16921 153 2S -0.00649 -0.02048 0.04650 -0.03955 0.13845 154 19 H 1S 0.00070 -0.00290 0.00541 0.00916 0.00537 155 2S 0.00148 -0.00329 0.00506 -0.00164 0.00258 156 20 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 157 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 158 21 O 1S 0.00418 -0.00177 0.00495 0.00446 -0.00162 159 2S -0.00916 0.00716 -0.01548 -0.01396 0.01727 160 2PX 0.01404 -0.01256 0.02728 -0.07076 -0.03232 161 2PY 0.00987 0.02271 -0.05458 -0.02755 0.05834 162 2PZ -0.00086 0.00200 -0.00191 0.04870 -0.05122 163 3S -0.01643 -0.00338 -0.00397 -0.01643 -0.03056 164 3PX 0.00876 -0.00941 0.02046 -0.05943 -0.01729 165 3PY 0.00552 0.01410 -0.03728 -0.01912 0.03997 166 3PZ -0.00238 0.00236 -0.00389 0.04772 -0.04113 167 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 168 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 169 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 170 4XY 0.00054 0.00070 -0.00154 -0.00303 0.00608 171 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 172 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 173 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 174 2S 0.00048 -0.00988 0.01073 0.06593 0.03094 175 2PX -0.00497 0.05683 -0.12360 -0.16692 -0.10824 176 2PY -0.00300 0.02548 -0.05165 -0.09859 -0.03172 177 2PZ -0.00360 0.03477 -0.06520 -0.17837 -0.07011 178 3S 0.00023 0.01404 -0.02641 0.06857 -0.04043 179 3PX -0.00223 0.02658 -0.06225 -0.10154 -0.05728 180 3PY -0.00193 0.01946 -0.03878 -0.07143 -0.02506 181 3PZ -0.00308 0.01512 -0.02656 -0.08268 -0.04074 182 4XX 0.00020 -0.00369 0.00604 -0.00641 0.00823 183 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 184 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 185 4XY 0.00023 -0.00464 0.00906 0.00889 -0.00340 186 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 187 4YZ -0.00002 -0.00277 0.00505 0.01130 -0.00410 188 23 H 1S -0.00170 -0.00481 0.01264 0.02125 0.00579 189 2S -0.00353 -0.00436 0.01309 0.04173 -0.00555 126 127 128 129 130 126 2PZ 0.37881 127 3S -0.02415 0.30242 128 3PX -0.08370 -0.06512 0.10753 129 3PY 0.01636 -0.00108 -0.03278 0.05313 130 3PZ 0.16315 0.01250 -0.06591 0.02381 0.09324 131 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 134 4XY 0.01133 -0.00070 -0.00125 0.00301 0.00445 135 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 136 4YZ 0.00937 -0.01358 0.00464 -0.00213 0.00057 137 17 C 1S 0.00381 0.00669 0.00601 -0.00710 0.00104 138 2S -0.01020 -0.01116 -0.01085 0.01567 0.00197 139 2PX 0.02271 0.04028 0.01475 -0.00226 0.01111 140 2PY -0.03815 0.01438 -0.02862 -0.02780 -0.02414 141 2PZ 0.00269 0.03382 0.02618 -0.00358 -0.00501 142 3S -0.00798 0.00698 -0.01790 0.02482 0.01203 143 3PX 0.01130 0.01714 0.00544 -0.00312 0.00396 144 3PY -0.03294 0.00616 -0.00959 -0.00233 -0.00879 145 3PZ -0.00869 0.00195 0.02104 -0.01080 -0.01368 146 4XX 0.00610 0.00032 0.00299 -0.00046 0.00146 147 4YY -0.00718 -0.00421 -0.00355 -0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00142 0.00190 0.00199 149 4XY -0.00422 -0.00110 0.00345 0.00191 0.00079 150 4XZ 0.00260 -0.00244 0.00084 -0.00049 0.00028 151 4YZ 0.00145 -0.00005 -0.00061 0.00299 0.00240 152 18 H 1S -0.19078 0.13823 -0.01462 0.04024 -0.06420 153 2S -0.15452 0.05308 0.00287 0.02942 -0.05324 154 19 H 1S 0.00813 0.02077 0.00569 0.00940 0.00564 155 2S 0.02478 0.03060 -0.00485 0.01303 0.01767 156 20 H 1S 0.00081 -0.06701 -0.00166 0.02500 0.00188 157 2S 0.00813 -0.06605 0.00133 0.02216 -0.00048 158 21 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 159 2S -0.01590 0.03954 -0.00018 -0.01382 0.00415 160 2PX 0.04709 0.05190 -0.06279 0.00293 0.01589 161 2PY -0.01346 -0.11865 0.01224 0.07005 0.02567 162 2PZ -0.05767 -0.02260 0.04580 -0.04205 -0.04491 163 3S -0.06695 0.06992 0.00817 -0.04760 -0.02587 164 3PX 0.04760 0.04013 -0.05124 0.00649 0.02005 165 3PY -0.01436 -0.07832 0.00943 0.04593 0.01465 166 3PZ -0.05145 -0.02365 0.03962 -0.03260 -0.03818 167 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 168 4YY 0.00125 -0.00668 -0.00009 0.00370 0.00190 169 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 170 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 171 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 172 4YZ -0.00039 -0.00089 -0.00049 0.00056 -0.00013 173 22 O 1S -0.02341 0.03366 0.00189 -0.00926 0.00881 174 2S 0.05397 -0.08566 -0.00925 0.02010 -0.02161 175 2PX -0.18559 -0.03606 -0.02843 -0.01430 -0.03342 176 2PY -0.06632 -0.06383 0.00555 0.04340 -0.00080 177 2PZ -0.08075 -0.07379 -0.06531 -0.02438 -0.03146 178 3S 0.04689 -0.14503 -0.00222 0.00577 -0.03621 179 3PX -0.09087 -0.00385 -0.02098 -0.00216 -0.00671 180 3PY -0.04916 -0.04535 0.00214 0.02759 -0.00144 181 3PZ -0.05661 -0.04402 -0.02604 -0.01819 -0.02934 182 4XX 0.00738 0.00707 -0.00484 0.00343 0.00474 183 4YY 0.00290 0.00255 0.00000 -0.00238 0.00049 184 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 185 4XY 0.01055 0.00459 0.00132 -0.00224 0.00177 186 4XZ -0.00127 0.00512 0.00089 0.00065 -0.00174 187 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 188 23 H 1S 0.01274 0.00895 0.01225 0.00075 0.00418 189 2S 0.00475 -0.00501 0.02404 -0.00974 -0.00722 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY 0.00068 -0.00016 -0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 136 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 137 17 C 1S -0.00035 0.00097 -0.00113 0.00146 -0.00001 138 2S 0.00108 -0.00241 0.00264 -0.00346 0.00075 139 2PX -0.00363 0.00310 -0.00371 0.00387 -0.00315 140 2PY -0.00023 -0.00266 0.00408 -0.00847 0.00029 141 2PZ -0.00250 0.00292 -0.00353 0.00433 -0.00326 142 3S -0.00051 -0.00182 0.00211 -0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 0.00192 -0.00119 144 3PY -0.00246 0.00101 0.00153 -0.00349 -0.00166 145 3PZ -0.00320 0.00132 0.00096 0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 -0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 -0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 0.00034 -0.00016 149 4XY 0.00018 0.00054 -0.00069 0.00038 -0.00063 150 4XZ 0.00044 -0.00030 0.00005 -0.00031 0.00052 151 4YZ -0.00103 0.00052 0.00028 0.00013 -0.00022 152 18 H 1S -0.01030 -0.00133 0.00728 -0.00491 0.00219 153 2S -0.00710 -0.00114 0.00781 -0.00503 0.00106 154 19 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 156 20 H 1S 0.00286 0.00066 0.00200 0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 158 21 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 159 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 160 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 161 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 162 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 163 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 164 3PX 0.00099 -0.00166 -0.00235 0.00407 -0.00033 165 3PY -0.00137 0.00393 0.00031 -0.00219 -0.00114 166 3PZ -0.00131 -0.00071 0.00283 0.00122 0.00133 167 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 168 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 169 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 170 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 171 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 172 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 173 22 O 1S -0.00408 0.00187 -0.00015 -0.00471 -0.00482 174 2S 0.01018 -0.00417 0.00085 0.01094 0.01112 175 2PX 0.00966 0.00838 -0.01393 -0.00470 -0.02047 176 2PY -0.01246 0.01669 -0.00483 0.01114 -0.01396 177 2PZ -0.02966 0.00733 0.02319 -0.01508 -0.00360 178 3S 0.00914 -0.00037 -0.00054 0.01372 0.00833 179 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 180 3PY -0.00826 0.01108 -0.00302 0.00645 -0.00952 181 3PZ -0.02041 0.00453 0.01586 -0.00910 -0.00057 182 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 183 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 184 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 185 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 186 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 187 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 188 23 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 189 2S -0.00562 0.00070 0.00375 -0.00106 0.00177 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00168 2.04980 138 2S -0.00394 -0.06512 0.34292 139 2PX 0.00431 -0.01455 0.02589 0.42798 140 2PY -0.00716 0.00000 0.00000 0.00000 0.29266 141 2PZ 0.00376 -0.01513 0.02463 -0.04322 -0.00001 142 3S -0.00487 -0.14989 0.26013 0.04460 0.00000 143 3PX 0.00177 -0.00858 0.01869 0.15537 0.00000 144 3PY -0.00356 0.00000 0.00000 0.00000 0.07097 145 3PZ 0.00289 -0.01235 0.02302 -0.00828 -0.00001 146 4XX 0.00033 -0.01781 0.00026 0.02405 0.00000 147 4YY 0.00008 -0.01312 -0.01025 -0.01563 0.00000 148 4ZZ -0.00022 -0.01764 -0.00043 -0.01019 0.00000 149 4XY -0.00005 0.00000 0.00000 0.00000 -0.02089 150 4XZ -0.00015 0.00060 -0.00098 -0.01143 0.00000 151 4YZ 0.00040 0.00000 0.00000 0.00000 -0.02049 152 18 H 1S -0.01375 -0.00735 0.02026 -0.01912 0.03006 153 2S -0.00999 -0.00777 0.02246 -0.02698 0.03201 154 19 H 1S -0.00070 -0.05992 0.12295 -0.07201 -0.00002 155 2S -0.00148 -0.01152 0.03387 -0.08266 -0.00002 156 20 H 1S 0.00732 -0.00735 0.02026 -0.01912 -0.03006 157 2S 0.00649 -0.00777 0.02246 -0.02698 -0.03200 158 21 O 1S 0.00025 0.00354 -0.00182 0.01530 0.02797 159 2S -0.00048 -0.00655 0.00255 -0.03727 -0.06677 160 2PX 0.00497 -0.02525 0.05128 -0.05319 -0.12294 161 2PY -0.00300 -0.05975 0.13127 -0.13986 -0.21995 162 2PZ 0.00360 -0.02421 0.04937 -0.05329 -0.13949 163 3S -0.00023 0.02100 -0.05476 -0.02477 -0.03596 164 3PX 0.00223 -0.00730 0.01641 -0.03750 -0.04935 165 3PY -0.00193 -0.03520 0.07587 -0.08018 -0.13391 166 3PZ 0.00308 -0.00646 0.01411 -0.01332 -0.06656 167 4XX -0.00020 0.00031 -0.00092 0.00985 0.00248 168 4YY -0.00029 -0.00712 0.01321 -0.01104 -0.01050 169 4ZZ 0.00046 0.00033 -0.00064 -0.00019 0.00109 170 4XY 0.00023 -0.00305 0.00578 0.00349 -0.00263 171 4XZ 0.00020 -0.00130 0.00169 0.00297 -0.00092 172 4YZ -0.00002 -0.00368 0.00687 -0.00514 -0.00522 173 22 O 1S -0.00418 0.00354 -0.00182 0.01530 -0.02797 174 2S 0.00916 -0.00655 0.00255 -0.03726 0.06678 175 2PX -0.01403 -0.02524 0.05128 -0.05318 0.12295 176 2PY 0.00988 0.05976 -0.13129 0.13987 -0.22000 177 2PZ 0.00086 -0.02420 0.04935 -0.05326 0.13947 178 3S 0.01642 0.02101 -0.05476 -0.02477 0.03596 179 3PX -0.00876 -0.00730 0.01641 -0.03750 0.04935 180 3PY 0.00552 0.03520 -0.07588 0.08018 -0.13394 181 3PZ 0.00238 -0.00645 0.01409 -0.01331 0.06655 182 4XX -0.00009 0.00031 -0.00092 0.00985 -0.00249 183 4YY -0.00082 -0.00712 0.01322 -0.01104 0.01051 184 4ZZ -0.00035 0.00033 -0.00064 -0.00019 -0.00109 185 4XY 0.00054 0.00305 -0.00578 -0.00349 -0.00263 186 4XZ -0.00007 -0.00130 0.00169 0.00297 0.00092 187 4YZ 0.00011 0.00368 -0.00687 0.00514 -0.00521 188 23 H 1S 0.00170 -0.05970 0.12411 0.27094 0.00000 189 2S 0.00353 -0.01230 0.03558 0.21702 0.00000 141 142 143 144 145 141 2PZ 0.42493 142 3S 0.05587 0.23350 143 3PX -0.01403 0.01607 0.06205 144 3PY -0.00001 0.00000 0.00000 0.02607 145 3PZ 0.14522 0.02150 -0.00376 0.00000 0.06494 146 4XX -0.00914 0.00239 0.00680 0.00000 0.00047 147 4YY -0.01615 -0.01289 -0.00513 0.00000 -0.00463 148 4ZZ 0.02328 0.00320 -0.00204 0.00000 0.00358 149 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 150 4XZ -0.01231 -0.00368 -0.00378 0.00000 -0.00399 151 4YZ -0.00001 0.00000 0.00000 -0.00288 0.00000 152 18 H 1S -0.01934 0.02999 -0.01340 0.02407 -0.00662 153 2S -0.03245 0.02716 -0.01776 0.02345 -0.00696 154 19 H 1S 0.26778 0.11638 -0.01748 -0.00001 0.08286 155 2S 0.21793 0.04305 -0.01688 0.00000 0.04494 156 20 H 1S -0.01935 0.02999 -0.01340 -0.02407 -0.00663 157 2S -0.03246 0.02716 -0.01776 -0.02344 -0.00697 158 21 O 1S 0.01501 0.02924 -0.00403 0.00234 -0.00333 159 2S -0.03596 -0.07391 0.00862 -0.00203 0.00686 160 2PX -0.05824 0.03116 0.00237 -0.04752 -0.06072 161 2PY -0.14515 0.09643 -0.05247 -0.01938 -0.05201 162 2PZ -0.05260 0.02269 -0.04081 -0.06253 0.03541 163 3S -0.02662 -0.13767 0.01708 0.00629 0.01927 164 3PX -0.01733 0.00867 0.00189 -0.02070 -0.03707 165 3PY -0.08588 0.05611 -0.03033 -0.00873 -0.03009 166 3PZ -0.03963 -0.00201 -0.02004 -0.03357 0.02609 167 4XX 0.00035 0.00126 0.00281 0.00039 0.00025 168 4YY -0.01121 0.00987 -0.00396 -0.00111 -0.00408 169 4ZZ 0.00931 0.00118 -0.00003 -0.00049 0.00221 170 4XY -0.00410 0.00446 0.00213 -0.00188 -0.00299 171 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 172 4YZ 0.00220 0.00523 -0.00267 -0.00254 0.00263 173 22 O 1S 0.01500 0.02924 -0.00403 -0.00234 -0.00333 174 2S -0.03595 -0.07391 0.00862 0.00203 0.00686 175 2PX -0.05821 0.03116 0.00237 0.04753 -0.06071 176 2PY 0.14512 -0.09643 0.05248 -0.01940 0.05201 177 2PZ -0.05255 0.02268 -0.04080 0.06252 0.03543 178 3S -0.02661 -0.13767 0.01708 -0.00629 0.01927 179 3PX -0.01732 0.00867 0.00189 0.02071 -0.03707 180 3PY 0.08586 -0.05611 0.03033 -0.00874 0.03008 181 3PZ -0.03961 -0.00201 -0.02004 0.03357 0.02611 182 4XX 0.00035 0.00126 0.00281 -0.00039 0.00025 183 4YY -0.01120 0.00987 -0.00396 0.00112 -0.00408 184 4ZZ 0.00931 0.00118 -0.00003 0.00049 0.00221 185 4XY 0.00410 -0.00446 -0.00213 -0.00188 0.00299 186 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 187 4YZ -0.00220 -0.00522 0.00267 -0.00254 -0.00263 188 23 H 1S -0.06535 0.10661 0.09598 0.00000 -0.00321 189 2S -0.07301 0.03008 0.06958 0.00000 0.00206 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00124 0.00343 148 4ZZ -0.00166 -0.00138 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 152 18 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 153 2S 0.00091 0.00129 -0.00371 0.00015 0.00044 154 19 H 1S -0.01123 -0.01262 0.02042 0.00000 -0.00573 155 2S -0.01622 -0.00902 0.02416 0.00000 -0.00381 156 20 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 157 2S 0.00091 0.00129 -0.00371 -0.00015 0.00044 158 21 O 1S 0.00248 -0.00615 0.00217 -0.00392 -0.00149 159 2S -0.00539 0.01471 -0.00417 0.00925 0.00368 160 2PX -0.02408 0.01378 0.00780 -0.00688 -0.00132 161 2PY 0.00103 -0.00405 0.00108 0.01986 0.01286 162 2PZ 0.00835 0.01596 -0.02692 0.01749 -0.00135 163 3S -0.00774 0.02322 -0.00867 0.00751 0.00155 164 3PX -0.01644 0.00750 0.00797 -0.00700 -0.00096 165 3PY 0.00130 -0.00300 0.00068 0.01254 0.00776 166 3PZ 0.00820 0.00988 -0.01913 0.01068 -0.00089 167 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 168 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 169 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 170 4XY -0.00079 0.00054 0.00004 -0.00052 -0.00029 171 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 172 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 173 22 O 1S 0.00248 -0.00616 0.00217 0.00392 -0.00149 174 2S -0.00539 0.01471 -0.00418 -0.00925 0.00368 175 2PX -0.02408 0.01379 0.00780 0.00688 -0.00132 176 2PY -0.00103 0.00404 -0.00107 0.01986 -0.01285 177 2PZ 0.00835 0.01596 -0.02692 -0.01748 -0.00135 178 3S -0.00774 0.02322 -0.00867 -0.00751 0.00155 179 3PX -0.01644 0.00750 0.00797 0.00700 -0.00096 180 3PY -0.00130 0.00300 -0.00067 0.01254 -0.00776 181 3PZ 0.00819 0.00988 -0.01913 -0.01068 -0.00089 182 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 183 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 184 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 185 4XY 0.00079 -0.00054 -0.00004 -0.00052 0.00029 186 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 187 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 188 23 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00525 189 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00339 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00063 0.21549 153 2S 0.00038 0.15286 0.12398 154 19 H 1S 0.00000 -0.00729 -0.01729 0.22400 155 2S 0.00000 -0.01840 -0.03272 0.18435 0.19868 156 20 H 1S -0.00063 -0.01120 -0.00665 -0.00729 -0.01840 157 2S -0.00038 -0.00665 0.00087 -0.01728 -0.03271 158 21 O 1S -0.00458 -0.00352 -0.00324 0.00889 0.00532 159 2S 0.01105 0.00990 0.00967 -0.02015 -0.01017 160 2PX 0.01703 -0.02877 -0.05949 0.02511 0.08181 161 2PY 0.02150 0.01996 0.04326 -0.01452 -0.02792 162 2PZ -0.00889 -0.00586 0.00659 -0.07387 -0.15908 163 3S 0.00926 0.01898 0.01364 -0.04561 -0.02895 164 3PX 0.01035 -0.02012 -0.04089 0.02836 0.07361 165 3PY 0.01359 0.01569 0.03098 -0.00975 -0.01833 166 3PZ -0.00787 -0.00329 0.00723 -0.06365 -0.12019 167 4XX -0.00048 -0.00004 0.00016 -0.00188 -0.00272 168 4YY 0.00102 0.00060 0.00203 0.00010 -0.00145 169 4ZZ -0.00007 -0.00074 -0.00140 0.00617 0.00636 170 4XY 0.00044 0.00077 -0.00066 0.00032 0.00176 171 4XZ 0.00032 -0.00092 -0.00084 0.00216 0.00178 172 4YZ -0.00038 0.00109 0.00143 0.00169 -0.00307 173 22 O 1S 0.00457 0.01458 0.01571 0.00889 0.00532 174 2S -0.01105 -0.02981 -0.03187 -0.02015 -0.01017 175 2PX -0.01703 0.01399 0.01595 0.02511 0.08181 176 2PY 0.02150 -0.01735 -0.02195 0.01453 0.02794 177 2PZ 0.00890 0.04334 0.07313 -0.07387 -0.15908 178 3S -0.00925 -0.07739 -0.06864 -0.04561 -0.02894 179 3PX -0.01035 0.00236 -0.00177 0.02836 0.07362 180 3PY 0.01359 -0.00923 -0.01053 0.00976 0.01835 181 3PZ 0.00788 0.03208 0.04921 -0.06365 -0.12020 182 4XX 0.00048 0.00288 0.00109 -0.00188 -0.00272 183 4YY -0.00102 0.00091 0.00186 0.00010 -0.00146 184 4ZZ 0.00007 0.00570 0.00403 0.00617 0.00636 185 4XY 0.00044 -0.00313 -0.00327 -0.00032 -0.00176 186 4XZ -0.00032 0.00366 0.00123 0.00216 0.00178 187 4YZ -0.00038 -0.00319 -0.00428 -0.00169 0.00307 188 23 H 1S 0.00000 -0.00082 0.00158 -0.04299 -0.08900 189 2S 0.00000 -0.00206 0.00586 -0.08220 -0.12032 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15286 0.12398 158 21 O 1S 0.01458 0.01571 2.07557 159 2S -0.02981 -0.03188 -0.17799 0.50359 160 2PX 0.01400 0.01596 -0.01250 0.02848 0.64787 161 2PY 0.01735 0.02195 0.03973 -0.07465 -0.02590 162 2PZ 0.04334 0.07312 -0.00479 0.00377 -0.13784 163 3S -0.07739 -0.06864 -0.24523 0.59251 0.04937 164 3PX 0.00236 -0.00177 -0.00937 0.02091 0.40595 165 3PY 0.00922 0.01053 0.02573 -0.04921 -0.03540 166 3PZ 0.03208 0.04920 -0.00454 0.00465 -0.14600 167 4XX 0.00288 0.00109 -0.01520 -0.00285 -0.01348 168 4YY 0.00091 0.00185 -0.01267 -0.00833 0.00249 169 4ZZ 0.00570 0.00403 -0.01397 -0.00548 0.00533 170 4XY 0.00313 0.00327 -0.00150 0.00344 0.02796 171 4XZ 0.00366 0.00123 -0.00372 0.00792 -0.00237 172 4YZ 0.00319 0.00428 -0.00139 0.00292 -0.00402 173 22 O 1S -0.00352 -0.00324 0.00092 -0.00175 -0.00452 174 2S 0.00990 0.00967 -0.00175 0.00434 0.00772 175 2PX -0.02877 -0.05949 -0.00452 0.00772 0.00554 176 2PY -0.01996 -0.04327 -0.01104 0.02887 -0.00092 177 2PZ -0.00587 0.00657 -0.00933 0.01773 -0.01624 178 3S 0.01897 0.01363 -0.01295 0.02675 0.03681 179 3PX -0.02012 -0.04089 -0.00662 0.01438 0.00626 180 3PY -0.01569 -0.03098 -0.00453 0.01240 -0.00193 181 3PZ -0.00330 0.00721 -0.01027 0.02058 -0.00998 182 4XX -0.00004 0.00016 0.00031 -0.00032 -0.00140 183 4YY 0.00060 0.00204 0.00035 -0.00120 0.00051 184 4ZZ -0.00074 -0.00140 -0.00024 0.00068 -0.00158 185 4XY -0.00077 0.00066 0.00079 -0.00193 -0.00037 186 4XZ -0.00092 -0.00084 0.00022 -0.00068 -0.00132 187 4YZ -0.00109 -0.00143 0.00075 -0.00177 0.00019 188 23 H 1S -0.00082 0.00158 0.01026 -0.02489 -0.06500 189 2S -0.00206 0.00586 0.00569 -0.01480 -0.11693 161 162 163 164 165 161 2PY 0.66559 162 2PZ -0.04096 0.71655 163 3S -0.21999 0.05282 0.75619 164 3PX -0.03491 -0.15871 0.03225 0.26575 165 3PY 0.42234 -0.03763 -0.14005 -0.03228 0.26980 166 3PZ -0.04613 0.46286 0.04141 -0.13780 -0.03454 167 4XX -0.00530 0.00322 -0.00420 -0.00784 -0.00286 168 4YY 0.04105 -0.00244 -0.01835 0.00029 0.02560 169 4ZZ -0.00589 -0.00733 -0.00646 0.00401 -0.00371 170 4XY -0.00807 -0.00450 0.00490 0.01726 -0.00593 171 4XZ 0.00090 -0.00742 0.00741 -0.00077 0.00087 172 4YZ -0.00308 0.02923 0.00413 -0.00508 -0.00252 173 22 O 1S 0.01104 -0.00932 -0.01295 -0.00662 0.00453 174 2S -0.02887 0.01773 0.02676 0.01438 -0.01240 175 2PX 0.00093 -0.01624 0.03681 0.00626 0.00194 176 2PY 0.13550 -0.00571 0.05939 -0.00134 0.10448 177 2PZ 0.00573 0.00701 0.07068 -0.00568 0.01084 178 3S -0.05940 0.07066 0.08394 0.02857 -0.02904 179 3PX 0.00134 -0.00568 0.02856 0.00661 0.00116 180 3PY 0.10448 -0.01082 0.02903 -0.00116 0.07828 181 3PZ 0.00174 0.01670 0.05949 -0.00631 0.00618 182 4XX -0.00226 -0.00269 -0.00148 -0.00031 -0.00118 183 4YY 0.00223 0.00072 -0.00513 -0.00009 0.00014 184 4ZZ -0.00197 -0.00342 0.00135 -0.00074 -0.00093 185 4XY -0.00332 0.00069 -0.00244 0.00007 -0.00244 186 4XZ -0.00299 -0.00072 -0.00058 -0.00070 -0.00179 187 4YZ -0.00194 -0.00060 -0.00257 -0.00036 -0.00155 188 23 H 1S -0.01387 0.02894 -0.04014 -0.05426 -0.00601 189 2S -0.03139 0.07573 -0.01081 -0.08764 -0.01563 166 167 168 169 170 166 3PZ 0.30854 167 4XX 0.00301 0.00104 168 4YY -0.00326 -0.00033 0.00294 169 4ZZ -0.00473 0.00002 -0.00023 0.00079 170 4XY -0.00506 -0.00037 -0.00030 0.00034 0.00161 171 4XZ -0.00424 0.00009 -0.00005 0.00011 -0.00008 172 4YZ 0.01812 0.00023 -0.00015 -0.00019 0.00006 173 22 O 1S -0.01027 0.00031 0.00035 -0.00024 -0.00079 174 2S 0.02058 -0.00032 -0.00120 0.00068 0.00193 175 2PX -0.00998 -0.00140 0.00051 -0.00158 0.00037 176 2PY -0.00172 0.00226 -0.00223 0.00197 -0.00332 177 2PZ 0.01670 -0.00269 0.00072 -0.00342 -0.00069 178 3S 0.05948 -0.00148 -0.00513 0.00135 0.00244 179 3PX -0.00631 -0.00031 -0.00009 -0.00074 -0.00007 180 3PY -0.00616 0.00118 -0.00014 0.00093 -0.00244 181 3PZ 0.02059 -0.00184 -0.00021 -0.00230 -0.00041 182 4XX -0.00184 0.00050 -0.00026 -0.00004 0.00010 183 4YY -0.00021 -0.00026 0.00085 -0.00029 0.00011 184 4ZZ -0.00229 -0.00004 -0.00029 0.00025 -0.00002 185 4XY 0.00040 -0.00010 -0.00011 0.00002 -0.00029 186 4XZ -0.00023 0.00005 -0.00015 0.00008 0.00001 187 4YZ -0.00015 0.00000 -0.00014 0.00004 -0.00012 188 23 H 1S 0.03096 0.00638 -0.00047 -0.00215 0.00191 189 2S 0.06853 0.00588 -0.00281 -0.00286 -0.00179 171 172 173 174 175 171 4XZ 0.00045 172 4YZ -0.00028 0.00151 173 22 O 1S 0.00022 -0.00075 2.07557 174 2S -0.00068 0.00177 -0.17799 0.50359 175 2PX -0.00132 -0.00019 -0.01250 0.02848 0.64787 176 2PY 0.00299 -0.00195 -0.03973 0.07465 0.02593 177 2PZ -0.00072 0.00060 -0.00480 0.00378 -0.13784 178 3S -0.00058 0.00257 -0.24523 0.59251 0.04937 179 3PX -0.00070 0.00036 -0.00937 0.02091 0.40595 180 3PY 0.00179 -0.00155 -0.02573 0.04921 0.03542 181 3PZ -0.00023 0.00015 -0.00454 0.00466 -0.14600 182 4XX 0.00005 0.00000 -0.01520 -0.00285 -0.01348 183 4YY -0.00015 0.00014 -0.01267 -0.00833 0.00249 184 4ZZ 0.00008 -0.00004 -0.01397 -0.00548 0.00533 185 4XY -0.00001 -0.00012 0.00150 -0.00344 -0.02796 186 4XZ 0.00004 -0.00002 -0.00372 0.00792 -0.00238 187 4YZ 0.00002 -0.00034 0.00139 -0.00292 0.00401 188 23 H 1S 0.00194 0.00018 0.01026 -0.02489 -0.06500 189 2S 0.00098 0.00080 0.00569 -0.01480 -0.11693 176 177 178 179 180 176 2PY 0.66557 177 2PZ 0.04096 0.71657 178 3S 0.21999 0.05284 0.75619 179 3PX 0.03494 -0.15871 0.03226 0.26574 180 3PY 0.42232 0.03763 0.14005 0.03231 0.26979 181 3PZ 0.04614 0.46289 0.04142 -0.13779 0.03454 182 4XX 0.00530 0.00322 -0.00420 -0.00784 0.00286 183 4YY -0.04105 -0.00244 -0.01835 0.00028 -0.02560 184 4ZZ 0.00589 -0.00733 -0.00646 0.00401 0.00371 185 4XY -0.00807 0.00450 -0.00490 -0.01726 -0.00593 186 4XZ -0.00090 -0.00742 0.00741 -0.00077 -0.00087 187 4YZ -0.00309 -0.02923 -0.00413 0.00508 -0.00253 188 23 H 1S 0.01387 0.02894 -0.04014 -0.05426 0.00601 189 2S 0.03139 0.07574 -0.01081 -0.08764 0.01562 181 182 183 184 185 181 3PZ 0.30856 182 4XX 0.00301 0.00104 183 4YY -0.00326 -0.00033 0.00294 184 4ZZ -0.00473 0.00002 -0.00023 0.00079 185 4XY 0.00506 0.00037 0.00030 -0.00034 0.00161 186 4XZ -0.00424 0.00009 -0.00005 0.00011 0.00008 187 4YZ -0.01812 -0.00023 0.00015 0.00019 0.00006 188 23 H 1S 0.03096 0.00638 -0.00047 -0.00215 -0.00191 189 2S 0.06854 0.00588 -0.00281 -0.00286 0.00179 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00028 0.00151 188 23 H 1S 0.00194 -0.00018 0.22350 189 2S 0.00098 -0.00080 0.17400 0.16576 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36896 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02961 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09567 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00047 0.00000 -0.00258 0.00000 17 2S -0.00047 0.00970 0.00000 0.04008 0.00000 18 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 19 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 21 3S -0.00027 0.01148 0.00000 0.03098 0.00000 22 3PX 0.00000 0.00000 0.01911 0.00000 0.00000 23 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 25 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 26 4YY -0.00026 0.00361 0.00000 0.00223 0.00000 27 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 28 4XY 0.00000 0.00000 0.00201 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00210 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 33 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 34 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 35 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 36 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 37 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 38 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 39 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 40 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 41 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 42 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 44 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 45 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 63 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 66 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 67 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 68 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 69 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 77 2S -0.00054 0.01134 0.02093 0.00936 0.01263 78 2PX -0.00132 0.02021 -0.00057 0.01792 0.03914 79 2PY -0.00067 0.00937 0.01826 -0.00036 0.00746 80 2PZ -0.00092 0.01358 0.03416 0.00933 0.00059 81 3S -0.00055 0.01143 0.02145 0.00591 0.01306 82 3PX -0.00102 0.01276 0.00242 0.00817 0.02060 83 3PY -0.00059 0.00676 0.00702 -0.00073 0.00274 84 3PZ -0.00032 0.00387 0.01527 0.00376 0.00258 85 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 86 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 87 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 88 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 89 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 90 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 91 7 H 1S -0.00198 0.03084 0.02436 0.02405 0.04948 92 2S -0.00120 0.01190 0.01601 0.01555 0.03425 93 8 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 94 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00003 0.00051 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 101 12 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 102 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 104 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 113 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 114 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 115 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 116 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 128 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 129 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 130 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00011 0.00000 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.25010 7 3PX 0.00000 0.11999 8 3PY 0.00000 0.00000 0.06237 9 3PZ 0.00000 0.00000 0.00000 0.09329 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00027 0.00000 -0.00172 0.00000 0.00000 17 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 18 2PX 0.00000 0.01911 0.00000 0.00000 0.00000 19 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 20 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 21 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 22 3PX 0.00000 0.02603 0.00000 0.00000 0.00000 23 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 24 3PZ 0.00000 0.00000 0.00000 0.02467 0.00000 25 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 26 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 27 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 28 4XY 0.00000 0.00097 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 31 3 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 32 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 33 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 34 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 35 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 36 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 37 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 38 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 39 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 40 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 41 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 42 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 43 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 44 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 45 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00056 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 62 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 63 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 64 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 65 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 66 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 67 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 68 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 69 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 70 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 71 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 72 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 73 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 74 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 75 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 76 6 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 77 2S 0.00574 0.01223 0.00249 0.00196 0.00050 78 2PX 0.00750 0.00367 0.01210 0.01594 -0.00076 79 2PY 0.01238 0.00805 0.00131 0.00065 0.00066 80 2PZ 0.00722 0.01436 0.00369 0.00348 0.00099 81 3S -0.01474 0.01146 0.00031 0.00069 0.00113 82 3PX -0.00312 0.01823 0.01057 0.01516 -0.00122 83 3PY 0.00540 0.00360 0.00090 -0.00047 0.00038 84 3PZ 0.00232 0.01265 -0.00004 0.01139 0.00142 85 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 86 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 87 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 88 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 89 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 90 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 91 7 H 1S 0.04347 0.00828 0.01000 0.02192 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02135 0.00026 93 8 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 94 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 95 9 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 96 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 99 11 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 100 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 101 12 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 102 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00025 103 13 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 104 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 105 14 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 106 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 107 15 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 108 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 109 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 110 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 111 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 112 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 113 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 114 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 115 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 116 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 117 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 120 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 124 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 125 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 126 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 127 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 128 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 129 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 130 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 131 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 153 2S 0.00017 0.00120 0.00023 0.00028 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 157 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 164 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 165 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 166 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00002 0.00006 0.00001 0.00000 0.00000 179 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 180 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 181 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00361 -0.00047 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 19 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 21 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 23 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 25 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00002 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 34 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 35 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 36 3S 0.00009 0.00005 0.00014 0.00000 0.00009 37 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 38 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 39 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00001 0.00000 0.00001 0.00000 63 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 66 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 67 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 68 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 69 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 77 2S -0.00046 0.00001 0.00083 0.00096 0.00068 78 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 79 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 80 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 81 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 82 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 83 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 84 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 85 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 86 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 87 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 88 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 89 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 94 2S -0.00017 0.00014 0.00012 0.00000 0.00026 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 102 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00002 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 128 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.01361 0.32496 18 2PX 0.00000 0.00000 0.36896 19 2PY 0.00000 0.00000 0.00000 0.41335 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 21 3S -0.02961 0.20117 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 25 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00218 0.00000 0.00000 0.00000 27 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 32 2S -0.00054 0.01134 0.02093 0.00935 0.01263 33 2PX -0.00132 0.02021 -0.00057 0.01791 0.03915 34 2PY -0.00067 0.00936 0.01825 -0.00036 0.00745 35 2PZ -0.00092 0.01358 0.03417 0.00933 0.00059 36 3S -0.00055 0.01143 0.02146 0.00590 0.01306 37 3PX -0.00102 0.01277 0.00242 0.00816 0.02061 38 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 39 3PZ -0.00032 0.00387 0.01528 0.00376 0.00258 40 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 41 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 42 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 43 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 44 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 45 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 48 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 51 3S 0.00004 -0.00076 0.00005 0.00002 -0.00379 52 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 53 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 54 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 64 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 65 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 66 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 67 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 68 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 69 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 78 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 79 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 80 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 81 3S 0.00004 -0.00122 -0.00102 -0.00148 -0.00108 82 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 83 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 84 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 85 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 86 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 93 8 H 1S -0.00198 0.03084 0.02436 0.02406 0.04947 94 2S -0.00120 0.01190 0.01601 0.01556 0.03424 95 9 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 96 2S 0.00019 -0.00267 -0.00255 -0.00650 -0.00039 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00003 0.00051 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 113 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 114 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 115 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 128 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 129 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 130 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00011 0.00000 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.25011 22 3PX 0.00000 0.12000 23 3PY 0.00000 0.00000 0.06237 24 3PZ 0.00000 0.00000 0.00000 0.09330 25 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 26 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 27 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 32 2S 0.00574 0.01224 0.00249 0.00196 0.00050 33 2PX 0.00750 0.00366 0.01210 0.01595 -0.00076 34 2PY 0.01237 0.00805 0.00132 0.00065 0.00066 35 2PZ 0.00722 0.01437 0.00369 0.00348 0.00099 36 3S -0.01475 0.01146 0.00031 0.00069 0.00113 37 3PX -0.00312 0.01822 0.01057 0.01516 -0.00122 38 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 39 3PZ 0.00231 0.01266 -0.00004 0.01139 0.00142 40 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 41 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 42 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 43 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 44 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 45 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 46 4 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 47 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 48 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 49 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 50 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 51 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 52 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 53 3PY 0.00009 -0.00002 0.00105 0.00013 0.00000 54 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 55 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 56 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 57 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 58 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 60 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 61 5 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 62 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 63 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 64 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 65 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 66 3S -0.00468 -0.00148 -0.00260 -0.00056 -0.00002 67 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 68 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 69 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 70 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 71 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 72 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 73 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 74 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 75 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 76 6 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 77 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 78 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 79 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 80 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 81 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 82 3PX 0.00466 -0.00293 0.00394 -0.00051 0.00010 83 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 84 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 85 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 86 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 87 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 88 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 89 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 90 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 94 2S 0.03825 0.00516 0.00740 0.02134 0.00025 95 9 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 96 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00025 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 100 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 101 12 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 102 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 103 13 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 104 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 105 14 H 1S -0.00011 0.00013 -0.00002 -0.00097 0.00000 106 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 108 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 109 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 110 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 111 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 112 3S -0.00077 -0.00413 -0.00081 -0.00023 0.00000 113 3PX -0.00191 -0.00957 -0.00165 -0.00061 0.00000 114 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 115 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 116 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 119 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 123 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 124 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 125 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 126 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 127 3S -0.00022 -0.00787 0.00001 -0.00039 0.00005 128 3PX 0.00035 -0.00258 0.00001 -0.00020 0.00034 129 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 130 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 131 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 132 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00007 -0.00081 0.00003 -0.00026 0.00000 153 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 157 2S 0.00017 0.00120 0.00023 0.00028 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00002 0.00006 0.00001 0.00000 0.00000 164 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 165 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 166 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 179 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 180 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 181 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 182 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00006 0.00089 28 4XY 0.00000 0.00000 0.00095 29 4XZ 0.00000 0.00000 0.00000 0.00067 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 31 3 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 32 2S -0.00046 0.00001 0.00083 0.00096 0.00068 33 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 34 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 35 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 36 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 37 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 38 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 39 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 40 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 41 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 42 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 43 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 44 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 45 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00001 0.00000 48 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 51 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 52 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 53 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 54 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 67 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 68 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 69 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00002 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 79 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 80 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 81 3S 0.00009 0.00005 0.00014 0.00000 0.00009 82 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 83 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 84 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 94 2S -0.00135 0.00254 0.00027 0.00030 0.00052 95 9 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 96 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 113 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00002 0.00000 0.00000 0.00000 0.00000 128 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.01343 0.32633 33 2PX 0.00000 0.00000 0.35438 34 2PY 0.00000 0.00000 0.00000 0.41151 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 36 3S -0.03645 0.23613 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 40 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 41 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 42 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00019 -0.00012 -0.00024 -0.00095 47 2S -0.00020 0.00510 0.00225 0.00424 0.01884 48 2PX -0.00009 0.00176 0.00002 0.00094 0.00647 49 2PY -0.00019 0.00372 0.00070 -0.00061 0.01258 50 2PZ -0.00117 0.02398 0.00789 0.01391 0.04483 51 3S 0.00013 0.00692 0.00563 0.00982 0.01743 52 3PX -0.00008 0.00179 0.00000 0.00068 0.00364 53 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 54 3PZ -0.00127 0.01980 0.00424 0.00822 0.01549 55 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00039 56 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 57 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 58 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 59 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 60 4YZ -0.00005 0.00083 0.00023 0.00005 0.00129 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 63 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 64 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 65 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 66 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 67 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 68 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 69 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 78 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 79 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 81 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 82 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 83 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 94 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 95 9 H 1S -0.00196 0.03098 0.00105 0.09692 0.00069 96 2S -0.00121 0.01237 0.00024 0.06457 0.00048 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00009 0.00011 0.00015 0.00006 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00000 0.00006 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 113 3PX 0.00001 -0.00047 -0.00029 -0.00024 -0.00025 114 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 115 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00039 0.00813 0.00149 0.00513 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00633 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 153 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 179 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 180 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 181 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.30065 37 3PX 0.00000 0.12488 38 3PY 0.00000 0.00000 0.05321 39 3PZ 0.00000 0.00000 0.00000 0.09657 40 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 41 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 42 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 47 2S 0.00439 0.00143 0.00327 0.01093 -0.00025 48 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 49 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 50 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 51 3S 0.00013 0.00757 0.00650 -0.00033 -0.00076 52 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 53 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 54 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 55 4XX -0.00097 -0.00026 0.00001 0.00003 0.00002 56 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 57 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 58 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 59 4XZ 0.00013 0.00054 0.00001 0.00015 0.00000 60 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 61 5 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 62 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 63 2PX -0.00011 -0.00005 0.00000 0.00006 0.00000 64 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 65 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 66 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 67 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 68 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 69 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 70 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 71 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 72 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 73 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 74 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 75 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 76 6 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 77 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 78 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 79 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 81 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 82 3PX 0.00000 -0.00749 0.00000 0.00000 0.00000 83 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 84 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 85 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 86 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 87 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 88 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 94 2S -0.01508 -0.01064 -0.00027 -0.00394 0.00015 95 9 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 96 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 97 10 H 1S -0.00230 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 99 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 100 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 101 12 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00381 -0.00091 0.00030 -0.01806 -0.00007 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 109 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 110 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 111 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 112 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 113 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 114 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 115 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 116 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 117 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 118 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 119 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 120 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 121 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 122 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00777 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 153 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 160 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 164 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 165 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 166 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 174 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 175 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 176 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 177 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 178 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 179 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 180 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 181 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 182 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 183 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00024 0.00145 43 4XY 0.00000 0.00000 0.00042 44 4XZ 0.00000 0.00000 0.00000 0.00069 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 46 4 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 47 2S -0.00028 0.00173 0.00008 0.00027 0.00071 48 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 49 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 50 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 51 3S -0.00147 0.00324 0.00007 0.00015 0.00038 52 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 53 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 54 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 55 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 56 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 57 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 58 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 59 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 60 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 67 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 68 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 69 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00002 0.00001 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 95 9 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 96 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 113 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 114 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 115 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00002 0.00003 0.00000 0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41188 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10594 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09887 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10249 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 62 2S -0.00013 0.00349 0.00000 0.02291 0.00000 63 2PX 0.00000 0.00000 -0.00005 0.00000 0.00000 64 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 66 3S 0.00028 0.00260 0.00000 0.02762 0.00000 67 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 68 3PY -0.00147 0.02052 0.00000 0.03407 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 70 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 71 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 72 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 73 4XY 0.00000 0.00000 0.00114 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00104 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 80 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 81 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 82 3PX 0.00001 -0.00009 -0.00005 -0.00020 -0.00019 83 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 84 3PZ 0.00001 -0.00046 0.00006 -0.00158 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00008 0.00009 0.00001 0.00033 95 9 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 96 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 97 10 H 1S -0.00170 0.02785 0.07932 0.01253 0.00675 98 2S -0.00043 0.00951 0.05032 0.00743 0.00405 99 11 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 100 2S 0.00009 -0.00166 -0.00195 -0.00464 -0.00003 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00006 0.00000 0.00029 0.00004 103 13 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 104 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 105 14 H 1S -0.00166 0.02734 0.04269 0.00966 0.04453 106 2S -0.00064 0.00994 0.02852 0.00580 0.02891 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 113 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 114 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 115 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 124 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 127 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 128 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 129 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 130 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00001 0.00000 0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 179 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 180 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.30208 52 3PX 0.00000 0.08584 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09074 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00028 0.00000 -0.00147 0.00000 0.00000 62 2S 0.00260 0.00000 0.02052 0.00000 -0.00023 63 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 64 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 65 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 66 3S -0.01567 0.00000 0.01958 0.00000 -0.00079 67 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 68 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 69 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 70 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 71 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 72 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 73 4XY 0.00000 0.00074 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00072 0.00000 76 6 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 77 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 78 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 79 2PY -0.00336 -0.00018 -0.00450 -0.00024 0.00000 80 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 81 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 82 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 83 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 84 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 85 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 86 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 87 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 88 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 89 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 90 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 94 2S 0.00142 0.00047 0.00015 0.00283 -0.00001 95 9 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 96 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 97 10 H 1S 0.03034 0.05114 0.00786 0.00550 0.00438 98 2S -0.00477 0.04890 0.00646 0.00409 0.00431 99 11 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 100 2S -0.00090 -0.00407 -0.00869 -0.00031 -0.00005 101 12 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 102 2S 0.00130 0.00003 0.00301 0.00018 0.00000 103 13 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 104 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 105 14 H 1S 0.03402 0.02648 0.00710 0.02915 0.00062 106 2S 0.01332 0.02784 0.00655 0.02842 0.00050 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 109 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 110 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 111 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 112 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 113 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 114 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 115 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 116 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 123 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 124 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 125 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 126 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 127 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 128 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 129 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 130 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 131 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 132 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 153 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 161 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 163 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 164 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 165 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 166 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 175 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 176 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 177 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 178 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 179 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 180 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 181 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 182 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 183 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 184 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 62 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 64 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 66 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 68 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 70 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 72 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00016 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00012 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00001 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 81 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 82 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 83 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 84 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 95 9 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 96 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 97 10 H 1S -0.00079 -0.00093 0.00195 0.00105 0.00021 98 2S -0.00102 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 100 2S -0.00015 0.00020 0.00028 -0.00001 0.00002 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 103 13 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 104 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 105 14 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 106 2S -0.00155 0.00172 0.00021 0.00078 0.00021 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00001 0.00001 113 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 115 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 127 3S -0.00002 0.00004 0.00000 0.00002 0.00000 128 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 130 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.01170 0.30682 63 2PX 0.00000 0.00000 0.41187 64 2PY 0.00000 0.00000 0.00000 0.38125 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 66 3S -0.03425 0.22723 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10594 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.09887 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 70 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 71 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 72 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00020 -0.00009 -0.00019 -0.00117 77 2S -0.00019 0.00510 0.00176 0.00371 0.02398 78 2PX -0.00012 0.00225 0.00002 0.00070 0.00789 79 2PY -0.00024 0.00423 0.00094 -0.00061 0.01390 80 2PZ -0.00095 0.01884 0.00648 0.01257 0.04484 81 3S -0.00008 0.00439 0.00232 0.00318 0.02221 82 3PX -0.00013 0.00144 0.00002 0.00032 0.00379 83 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 84 3PZ -0.00056 0.01093 0.00151 0.00723 0.01201 85 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 86 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 87 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 88 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 89 4XZ -0.00002 0.00027 0.00055 0.00016 0.00036 90 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00006 0.00000 0.00029 0.00004 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00463 -0.00003 99 11 H 1S -0.00170 0.02785 0.07932 0.01254 0.00674 100 2S -0.00043 0.00951 0.05032 0.00744 0.00404 101 12 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 102 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 103 13 H 1S -0.00166 0.02733 0.04268 0.00966 0.04454 104 2S -0.00064 0.00994 0.02852 0.00581 0.02892 105 14 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 106 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 109 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 112 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 113 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 114 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 115 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 128 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 129 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 130 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00001 0.00000 0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 164 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 165 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 166 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.30208 67 3PX 0.00000 0.08584 68 3PY 0.00000 0.00000 0.08588 69 3PZ 0.00000 0.00000 0.00000 0.09074 70 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 71 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 72 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00013 -0.00008 -0.00024 -0.00127 0.00000 77 2S 0.00692 0.00179 0.00226 0.01980 -0.00030 78 2PX 0.00564 0.00000 0.00058 0.00424 0.00003 79 2PY 0.00981 0.00068 0.00034 0.00821 -0.00007 80 2PZ 0.01744 0.00364 0.00760 0.01550 -0.00038 81 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 82 3PX 0.00757 -0.00074 0.00009 0.00263 -0.00026 83 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 84 3PZ -0.00033 0.00122 0.00562 0.00191 0.00003 85 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 86 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 87 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 88 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 89 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 90 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 95 9 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 96 2S 0.00130 0.00003 0.00301 0.00018 0.00000 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00407 -0.00869 -0.00031 -0.00005 99 11 H 1S 0.03034 0.05114 0.00787 0.00549 0.00438 100 2S -0.00477 0.04890 0.00646 0.00408 0.00431 101 12 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 102 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 103 13 H 1S 0.03402 0.02648 0.00710 0.02916 0.00062 104 2S 0.01332 0.02784 0.00656 0.02842 0.00050 105 14 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 106 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 107 15 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 108 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 109 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 110 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 111 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 112 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 113 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 114 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 115 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 116 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 117 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 124 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 125 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 126 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 127 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 128 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 129 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 130 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 131 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 157 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 160 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 161 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 162 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 163 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 164 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 165 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 166 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 167 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 168 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 169 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 176 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 178 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 179 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 180 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 181 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00011 0.00105 73 4XY 0.00000 0.00000 0.00096 74 4XZ 0.00000 0.00000 0.00000 0.00130 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 76 6 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 77 2S -0.00018 0.00165 0.00007 0.00039 0.00082 78 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 79 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 80 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 81 3S -0.00038 0.00238 0.00004 0.00013 0.00035 82 3PX -0.00014 0.00065 0.00006 0.00054 0.00005 83 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 84 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 85 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 86 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 87 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 89 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S -0.00079 -0.00093 0.00195 0.00105 0.00021 100 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 101 12 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 102 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 103 13 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 104 2S -0.00155 0.00172 0.00021 0.00078 0.00021 105 14 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 106 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 112 3S -0.00002 0.00004 0.00000 0.00002 0.00000 113 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 115 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00001 0.00001 128 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 130 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.01343 0.32633 78 2PX 0.00000 0.00000 0.35438 79 2PY 0.00000 0.00000 0.00000 0.41151 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.38401 81 3S -0.03645 0.23612 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 85 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 86 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 87 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00023 0.00019 0.00011 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 100 2S 0.00020 -0.00287 -0.00584 -0.00011 -0.00246 101 12 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 102 2S -0.00121 0.01238 0.00024 0.06456 0.00049 103 13 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 104 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00006 0.00001 0.00010 0.00023 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 109 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 110 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 111 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 112 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 113 3PX 0.00003 -0.00039 0.00813 0.00149 0.00512 114 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 115 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 116 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 128 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 129 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 130 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00003 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 157 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 164 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 165 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 166 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.30062 82 3PX 0.00000 0.12489 83 3PY 0.00000 0.00000 0.05321 84 3PZ 0.00000 0.00000 0.00000 0.09657 85 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 86 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 87 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01508 -0.01064 -0.00027 -0.00394 0.00015 93 8 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 94 2S 0.00169 0.00167 0.00108 0.00063 0.00000 95 9 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 96 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 99 11 H 1S -0.00230 -0.00206 0.00009 0.00032 0.00003 100 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 101 12 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 102 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 103 13 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 104 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 105 14 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 106 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 107 15 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 108 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 109 2PX 0.00061 0.00777 0.00085 0.00475 0.00009 110 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 111 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 112 3S 0.00126 0.00244 0.00172 0.00107 0.00037 113 3PX 0.00341 0.01262 0.00220 0.01182 0.00046 114 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 115 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 116 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 117 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 118 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 119 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 120 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 124 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 125 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 126 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 127 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 128 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 129 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 130 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 131 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 132 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 133 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 134 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 135 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 136 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 153 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 157 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 158 21 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 159 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 160 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 161 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 162 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 163 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 164 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 165 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 166 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 167 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 168 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 169 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 175 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 179 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 180 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 181 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00024 0.00145 88 4XY 0.00000 0.00000 0.00042 89 4XZ 0.00000 0.00000 0.00000 0.00069 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00002 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 100 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 101 12 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 102 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 103 13 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 104 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 113 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 114 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 115 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 128 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 129 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 130 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00002 0.00003 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00093 0.21693 94 2S -0.00093 -0.00553 0.11783 0.17163 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00104 0.21714 96 2S 0.00000 -0.00014 -0.00105 -0.00589 0.11577 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 0.00002 0.00000 -0.00019 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00019 0.00000 0.00002 0.00000 101 12 H 1S -0.00001 -0.00104 0.00000 0.00000 0.00000 102 2S -0.00105 -0.00589 0.00000 -0.00014 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00005 -0.00017 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00009 0.00000 -0.00001 0.00000 110 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S 0.00001 0.00027 0.00000 -0.00007 0.00001 113 3PX 0.00001 0.00048 0.00000 -0.00003 -0.00001 114 3PY 0.00000 0.00001 0.00000 -0.00001 0.00003 115 3PZ -0.00002 -0.00021 0.00000 0.00004 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00009 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 -0.00007 0.00001 0.00027 -0.00055 128 3PX 0.00000 -0.00003 0.00001 0.00048 -0.00060 129 3PY 0.00000 -0.00001 0.00000 0.00001 0.00020 130 3PZ 0.00000 0.00004 -0.00002 -0.00021 -0.00018 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00027 -0.00011 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00003 0.00027 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00027 0.21593 98 2S -0.00001 0.11187 0.16628 99 11 H 1S 0.00000 -0.00003 -0.00165 0.21593 100 2S -0.00015 -0.00165 -0.00907 0.11187 0.16628 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00039 102 2S 0.00000 0.00000 -0.00015 -0.00027 -0.00001 103 13 H 1S 0.00000 0.00000 0.00041 -0.00052 -0.00841 104 2S -0.00011 0.00039 0.00361 -0.00818 -0.02546 105 14 H 1S -0.00015 -0.00052 -0.00841 0.00000 0.00041 106 2S -0.00034 -0.00817 -0.02546 0.00039 0.00361 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 108 2S 0.00001 0.00000 0.00002 0.00000 -0.00017 109 2PX 0.00001 0.00000 -0.00001 0.00000 -0.00012 110 2PY 0.00004 0.00000 0.00004 0.00000 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00126 112 3S 0.00040 0.00000 0.00028 -0.00007 -0.00144 113 3PX 0.00008 0.00002 0.00011 -0.00022 -0.00106 114 3PY 0.00046 -0.00004 0.00013 -0.00006 -0.00020 115 3PZ 0.00007 0.00001 0.00001 -0.00067 -0.00526 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00011 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 123 2S -0.00009 0.00000 -0.00017 0.00000 0.00002 124 2PX -0.00061 0.00000 -0.00012 0.00000 -0.00001 125 2PY -0.00045 0.00000 -0.00003 0.00000 0.00004 126 2PZ -0.00017 -0.00001 -0.00126 0.00000 -0.00001 127 3S -0.00323 -0.00007 -0.00144 0.00000 0.00028 128 3PX -0.00284 -0.00022 -0.00106 0.00002 0.00011 129 3PY 0.00072 -0.00006 -0.00020 -0.00004 0.00013 130 3PZ -0.00110 -0.00067 -0.00525 0.00001 0.00001 131 4XX -0.00002 0.00000 -0.00007 0.00000 0.00000 132 4YY 0.00005 0.00000 0.00002 0.00000 0.00000 133 4ZZ -0.00001 0.00000 0.00011 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00001 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 138 2S 0.00000 0.00000 -0.00016 0.00000 -0.00016 139 2PX 0.00000 0.00000 -0.00018 0.00000 -0.00018 140 2PY 0.00000 0.00000 -0.00006 0.00000 -0.00006 141 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 142 3S -0.00001 -0.00011 -0.00101 -0.00011 -0.00101 143 3PX -0.00001 0.00017 0.00046 0.00017 0.00046 144 3PY -0.00001 0.00009 0.00062 0.00009 0.00062 145 3PZ 0.00000 -0.00022 0.00007 -0.00022 0.00007 146 4XX 0.00000 0.00000 0.00004 0.00000 0.00004 147 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 148 4ZZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00002 150 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 151 4YZ 0.00000 0.00000 0.00002 0.00000 0.00002 152 18 H 1S -0.00011 0.00000 0.00003 0.00000 0.00000 153 2S -0.00016 0.00001 0.00048 0.00000 -0.00005 154 19 H 1S 0.00000 0.00000 -0.00037 0.00000 -0.00038 155 2S 0.00001 0.00030 -0.00171 0.00030 -0.00171 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 157 2S -0.00003 0.00000 -0.00005 0.00001 0.00048 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 159 2S 0.00000 0.00000 0.00001 0.00000 0.00014 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00058 161 2PY 0.00000 0.00000 0.00001 0.00000 0.00001 162 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00128 163 3S 0.00000 0.00000 0.00016 -0.00014 0.00092 164 3PX -0.00001 0.00000 -0.00013 0.00000 0.00353 165 3PY 0.00000 0.00000 0.00017 0.00000 0.00007 166 3PZ 0.00000 0.00000 -0.00008 -0.00002 0.00671 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 -0.00008 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 174 2S 0.00002 0.00000 0.00014 0.00000 0.00001 175 2PX 0.00000 0.00000 0.00058 0.00000 -0.00001 176 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 177 2PZ 0.00000 0.00000 0.00128 0.00000 -0.00001 178 3S 0.00026 -0.00014 0.00092 0.00000 0.00016 179 3PX 0.00011 0.00000 0.00353 0.00000 -0.00013 180 3PY 0.00012 0.00000 0.00007 0.00000 0.00017 181 3PZ 0.00001 -0.00002 0.00671 0.00000 -0.00008 182 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00001 189 2S 0.00000 0.00001 0.00025 0.00001 0.00025 101 102 103 104 105 101 12 H 1S 0.21713 102 2S 0.11577 0.16496 103 13 H 1S 0.00000 -0.00015 0.21529 104 2S -0.00017 -0.00034 0.11394 0.15894 105 14 H 1S 0.00000 0.00000 -0.00005 -0.00202 0.21529 106 2S 0.00000 -0.00011 -0.00202 -0.00836 0.11394 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 109 2PX -0.00001 -0.00061 0.00000 0.00005 0.00000 110 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00017 0.00000 0.00007 0.00000 112 3S -0.00055 -0.00323 0.00000 0.00004 0.00000 113 3PX -0.00060 -0.00284 0.00004 0.00100 0.00000 114 3PY 0.00020 0.00072 0.00000 0.00008 0.00000 115 3PZ -0.00018 -0.00110 0.00002 0.00076 0.00000 116 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00040 0.00000 0.00012 0.00000 128 3PX -0.00001 0.00008 0.00000 0.00003 0.00004 129 3PY 0.00003 0.00046 0.00000 0.00003 0.00000 130 3PZ 0.00000 0.00007 0.00000 0.00015 0.00002 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00001 0.00000 0.00002 0.00000 143 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 144 3PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00001 0.00000 0.00008 0.00000 156 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 157 2S -0.00011 -0.00016 0.00000 -0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00002 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00026 0.00000 0.00004 0.00000 164 3PX 0.00000 0.00011 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00001 0.00000 -0.00002 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.15894 107 15 C 1S 0.00000 2.05255 108 2S 0.00000 -0.01389 0.33288 109 2PX 0.00001 0.00000 0.00000 0.34621 110 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00012 -0.03170 0.22133 0.00000 0.00000 113 3PX 0.00003 0.00000 0.00000 0.09508 0.00000 114 3PY 0.00003 0.00000 0.00000 0.00000 0.07004 115 3PZ 0.00015 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 118 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 123 2S 0.00001 -0.00065 0.01384 0.00000 0.04297 124 2PX 0.00005 0.00000 0.00000 0.01640 0.00000 125 2PY 0.00000 -0.00287 0.04297 0.00000 0.10300 126 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00011 0.00956 0.00000 0.03203 128 3PX 0.00100 0.00000 0.00000 0.02165 0.00000 129 3PY 0.00008 -0.00013 0.01038 0.00000 0.01886 130 3PZ 0.00076 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00061 0.00000 -0.00167 132 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 133 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 134 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00000 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00000 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00002 0.00009 -0.00098 -0.00291 -0.00149 143 3PX -0.00002 0.00018 -0.00204 -0.00095 -0.00093 144 3PY -0.00001 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00000 0.00012 -0.00154 -0.00360 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 153 2S -0.00006 0.00024 -0.00382 -0.00027 -0.00595 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00008 0.00000 0.00009 -0.00002 -0.00001 156 20 H 1S 0.00000 -0.00236 0.03822 0.00581 0.03852 157 2S 0.00000 -0.00192 0.02241 0.00246 0.02221 158 21 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 159 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 160 2PX 0.00000 -0.00024 0.01219 0.01589 0.00661 161 2PY 0.00000 -0.00005 0.00219 0.00602 -0.00067 162 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 163 3S 0.00000 0.00061 -0.00734 0.01468 -0.00371 164 3PX -0.00001 -0.00226 0.02342 0.01028 0.00756 165 3PY 0.00000 -0.00071 0.00626 0.00942 -0.00375 166 3PZ -0.00001 -0.00096 0.00742 0.01889 0.00399 167 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 168 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 169 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 170 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 171 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 172 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 175 2PX 0.00000 0.00000 -0.00005 0.00010 -0.00012 176 2PY 0.00000 0.00000 -0.00016 -0.00010 -0.00033 177 2PZ 0.00000 0.00000 0.00000 -0.00008 -0.00014 178 3S 0.00004 -0.00001 -0.00015 -0.00043 0.00138 179 3PX 0.00000 0.00004 -0.00104 0.00070 -0.00111 180 3PY 0.00000 0.00011 -0.00329 -0.00122 -0.00346 181 3PZ -0.00002 -0.00001 0.00015 -0.00130 -0.00196 182 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00005 183 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00005 184 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 185 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00017 0.00068 0.00002 111 112 113 114 115 111 2PZ 0.37882 112 3S 0.00000 0.30239 113 3PX 0.00000 0.00000 0.10753 114 3PY 0.00000 0.00000 0.00000 0.05313 115 3PZ 0.09296 0.00000 0.00000 0.00000 0.09325 116 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 123 2S 0.00000 0.00956 0.00000 0.01037 0.00000 124 2PX 0.00000 0.00000 0.02165 0.00000 0.00000 125 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 126 2PZ 0.01211 0.00000 0.00000 0.00000 0.01873 127 3S 0.00000 -0.01174 0.00000 -0.00775 0.00000 128 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 129 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 130 3PZ 0.01873 0.00000 0.00000 0.00000 0.02709 131 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 132 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 133 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 134 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00168 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00489 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 153 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00007 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00041 -0.00054 0.00259 156 20 H 1S 0.05490 0.05282 0.00177 0.01252 0.02525 157 2S 0.03133 0.03771 -0.00039 0.01030 0.02356 158 21 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 159 2S 0.00516 -0.01942 -0.00293 0.00273 -0.00508 160 2PX 0.01963 0.00361 0.00058 0.00087 0.00353 161 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 162 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 163 3S 0.00746 -0.06779 -0.00105 0.00117 -0.01270 164 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 165 3PY 0.00482 0.00726 -0.00035 0.01063 0.00017 166 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 167 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 168 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 169 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 170 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 171 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 172 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 173 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 174 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 175 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 176 2PY -0.00004 -0.00391 0.00057 -0.00410 0.00089 177 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 178 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 179 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 180 3PY -0.00068 -0.01561 0.00190 -0.00971 0.00219 181 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 182 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 183 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 184 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 185 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00027 0.00124 118 4ZZ -0.00019 -0.00008 0.00166 119 4XY 0.00000 0.00000 0.00000 0.00146 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 123 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 125 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 129 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 132 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 133 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 159 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 160 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 161 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 162 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 163 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 164 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 165 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 166 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 167 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 168 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 169 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 170 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 171 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 172 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 176 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 178 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 179 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 180 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 181 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00000 0.00000 0.00000 0.34620 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 126 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22133 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.09508 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 130 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00004 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00002 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00008 0.00009 -0.00098 -0.00291 -0.00149 143 3PX 0.00006 0.00018 -0.00204 -0.00095 -0.00093 144 3PY -0.00006 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00004 0.00012 -0.00154 -0.00360 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00004 -0.00236 0.03822 0.00580 0.03853 153 2S 0.00022 -0.00192 0.02241 0.00246 0.02222 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00000 0.00009 -0.00002 -0.00001 156 20 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 158 21 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 159 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 160 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 161 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 162 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 163 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 164 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 165 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 166 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 167 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 168 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 169 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 170 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 173 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 174 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 175 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 176 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 177 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00318 178 3S 0.00000 0.00061 -0.00734 0.01468 -0.00371 179 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 180 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 181 3PZ -0.00001 -0.00096 0.00742 0.01889 0.00399 182 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 183 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 184 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 185 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 186 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 187 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 0.00017 0.00068 0.00002 126 127 128 129 130 126 2PZ 0.37881 127 3S 0.00000 0.30242 128 3PX 0.00000 0.00000 0.10753 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09296 0.00000 0.00000 0.00000 0.09324 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00168 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00489 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00619 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.05489 0.05282 0.00177 0.01253 0.02525 153 2S 0.03133 0.03770 -0.00039 0.01031 0.02356 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00041 -0.00054 0.00258 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00007 158 21 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 159 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 160 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 161 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 162 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 163 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 164 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 165 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 166 3PZ -0.00024 0.00201 -0.00340 -0.00487 -0.00289 167 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 168 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 169 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 170 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 173 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 174 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 175 2PX 0.01963 0.00361 0.00059 0.00087 0.00354 176 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 177 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 178 3S 0.00746 -0.06779 -0.00105 0.00117 -0.01270 179 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 180 3PY 0.00481 0.00726 -0.00035 0.01064 0.00017 181 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 182 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 183 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 184 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 185 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 186 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 187 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00005 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 153 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 163 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 164 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 165 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 166 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 174 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 175 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 176 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 177 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 178 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 179 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 180 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 181 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 182 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 183 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 184 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 185 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 186 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 187 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.04980 138 2S 0.00002 -0.01427 0.34292 139 2PX 0.00004 0.00000 0.00000 0.42798 140 2PY 0.00000 0.00000 0.00000 0.00000 0.29266 141 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 142 3S 0.00008 -0.02762 0.21130 0.00000 0.00000 143 3PX 0.00006 0.00000 0.00000 0.08852 0.00000 144 3PY -0.00006 0.00000 0.00000 0.00000 0.04043 145 3PZ 0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00141 0.00019 0.00000 0.00000 147 4YY 0.00000 -0.00104 -0.00728 0.00000 0.00000 148 4ZZ 0.00000 -0.00140 -0.00030 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00377 0.00000 0.00000 0.00000 0.00000 153 2S 0.00064 0.00000 0.00020 0.00020 0.00017 154 19 H 1S 0.00000 -0.00189 0.03298 0.00485 0.00000 155 2S 0.00001 -0.00105 0.01600 0.00407 0.00000 156 20 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 157 2S 0.00022 0.00000 0.00020 0.00020 0.00017 158 21 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 159 2S 0.00000 -0.00001 0.00022 0.00238 0.00832 160 2PX 0.00001 -0.00005 0.00252 -0.00015 0.00935 161 2PY 0.00001 -0.00022 0.01256 0.01063 0.02340 162 2PZ 0.00000 -0.00005 0.00249 0.00213 0.01089 163 3S 0.00000 0.00084 -0.01440 0.00278 0.00788 164 3PX 0.00007 -0.00032 0.00325 -0.00392 0.00864 165 3PY 0.00009 -0.00300 0.02932 0.01404 0.01970 166 3PZ -0.00001 -0.00029 0.00287 0.00123 0.01196 167 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 168 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 169 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 170 4XY 0.00000 -0.00006 0.00072 0.00006 0.00037 171 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 172 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00074 173 22 O 1S -0.00003 0.00000 -0.00001 -0.00012 -0.00042 174 2S 0.00056 -0.00001 0.00022 0.00238 0.00832 175 2PX 0.00116 -0.00005 0.00252 -0.00015 0.00935 176 2PY 0.00016 -0.00022 0.01256 0.01063 0.02342 177 2PZ -0.00003 -0.00005 0.00248 0.00213 0.01088 178 3S 0.00085 0.00084 -0.01440 0.00278 0.00788 179 3PX 0.00070 -0.00032 0.00325 -0.00392 0.00864 180 3PY 0.00045 -0.00300 0.02932 0.01404 0.01971 181 3PZ 0.00002 -0.00029 0.00287 0.00123 0.01196 182 4XX -0.00001 0.00000 -0.00010 -0.00008 -0.00038 183 4YY 0.00001 -0.00016 0.00280 0.00181 0.00191 184 4ZZ -0.00001 0.00000 -0.00007 0.00001 -0.00017 185 4XY -0.00003 -0.00006 0.00072 0.00006 0.00037 186 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 187 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00074 188 23 H 1S 0.00000 -0.00189 0.03334 0.09738 0.00000 189 2S -0.00001 -0.00112 0.01681 0.05687 0.00000 141 142 143 144 145 141 2PZ 0.42493 142 3S 0.00000 0.23350 143 3PX 0.00000 0.00000 0.06205 144 3PY 0.00000 0.00000 0.00000 0.02607 145 3PZ 0.08274 0.00000 0.00000 0.00000 0.06494 146 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00201 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 153 2S 0.00029 0.00131 0.00123 0.00115 0.00056 154 19 H 1S 0.09575 0.04348 0.00167 0.00000 0.04188 155 2S 0.05687 0.03016 0.00183 0.00000 0.02579 156 20 H 1S 0.00000 0.00014 0.00015 0.00018 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 159 2S 0.00236 -0.01601 -0.00145 0.00067 -0.00118 160 2PX 0.00233 0.00166 0.00018 0.00391 0.00263 161 2PY 0.01133 0.01000 0.00431 0.00085 0.00439 162 2PZ -0.00004 0.00124 0.00177 0.00528 0.00255 163 3S 0.00307 -0.06226 -0.00434 -0.00312 -0.00503 164 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 165 3PY 0.01543 0.02200 0.00669 -0.00009 0.00681 166 3PZ -0.00395 -0.00041 0.00233 0.00760 0.00837 167 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 168 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 169 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 170 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 171 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 172 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 173 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 174 2S 0.00236 -0.01601 -0.00145 0.00067 -0.00118 175 2PX 0.00233 0.00166 0.00018 0.00391 0.00263 176 2PY 0.01132 0.01000 0.00431 0.00085 0.00439 177 2PZ -0.00004 0.00124 0.00176 0.00527 0.00255 178 3S 0.00307 -0.06226 -0.00434 -0.00312 -0.00503 179 3PX 0.00160 0.00174 0.00062 0.00457 0.00430 180 3PY 0.01543 0.02200 0.00669 -0.00009 0.00681 181 3PZ -0.00395 -0.00042 0.00232 0.00760 0.00838 182 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 183 4YY 0.00188 0.00289 0.00087 0.00032 0.00092 184 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 185 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 186 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 187 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 188 23 H 1S 0.00388 0.03986 0.04871 0.00000 0.00027 189 2S 0.00316 0.02108 0.04009 0.00000 -0.00020 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00041 0.00343 148 4ZZ -0.00055 -0.00046 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 154 19 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00060 155 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 159 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 160 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 161 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 162 2PZ 0.00032 0.00163 0.00003 0.00135 -0.00001 163 3S -0.00146 0.00617 -0.00165 0.00069 0.00008 164 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 165 3PY 0.00042 -0.00079 0.00022 0.00092 0.00063 166 3PZ 0.00138 0.00233 -0.00138 0.00087 0.00003 167 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 168 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 169 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 170 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 171 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 173 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 174 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 175 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 176 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 177 2PZ 0.00032 0.00163 0.00003 0.00135 -0.00001 178 3S -0.00146 0.00617 -0.00165 0.00069 0.00008 179 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 180 3PY 0.00042 -0.00079 0.00022 0.00092 0.00063 181 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 182 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 183 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 184 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 185 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 186 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 188 23 H 1S 0.00896 -0.00137 -0.00146 0.00000 0.00049 189 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00000 0.21549 153 2S 0.00000 0.10063 0.12398 154 19 H 1S 0.00000 0.00000 -0.00001 0.22400 155 2S 0.00000 -0.00001 -0.00038 0.12136 0.19868 156 20 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00001 157 2S 0.00000 -0.00015 0.00011 -0.00001 -0.00038 158 21 O 1S -0.00005 0.00000 0.00000 0.00000 0.00005 159 2S 0.00114 0.00000 0.00003 -0.00004 -0.00073 160 2PX 0.00132 0.00000 0.00010 0.00002 0.00089 161 2PY 0.00250 0.00000 0.00014 -0.00003 -0.00090 162 2PZ -0.00012 0.00000 -0.00001 -0.00026 -0.00755 163 3S 0.00088 0.00001 0.00029 -0.00186 -0.00584 164 3PX 0.00085 0.00002 0.00085 0.00063 0.00420 165 3PY 0.00103 0.00003 0.00122 -0.00064 -0.00312 166 3PZ 0.00059 0.00000 -0.00018 -0.00614 -0.03000 167 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00022 168 4YY 0.00018 0.00000 0.00002 0.00000 -0.00014 169 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00078 170 4XY 0.00007 0.00000 0.00000 0.00000 0.00002 171 4XZ 0.00000 0.00000 0.00000 0.00001 0.00003 172 4YZ 0.00000 0.00000 -0.00001 0.00003 -0.00016 173 22 O 1S -0.00005 0.00000 0.00016 0.00000 0.00005 174 2S 0.00114 -0.00006 -0.00225 -0.00004 -0.00073 175 2PX 0.00132 -0.00004 -0.00058 0.00002 0.00089 176 2PY 0.00250 -0.00001 -0.00012 -0.00003 -0.00090 177 2PZ -0.00012 -0.00014 -0.00326 -0.00026 -0.00755 178 3S 0.00088 -0.00308 -0.01369 -0.00186 -0.00584 179 3PX 0.00085 -0.00017 0.00034 0.00063 0.00420 180 3PY 0.00103 -0.00010 -0.00030 -0.00064 -0.00312 181 3PZ 0.00060 -0.00288 -0.01158 -0.00614 -0.03000 182 4XX -0.00006 0.00003 0.00011 -0.00001 -0.00022 183 4YY 0.00018 0.00000 0.00015 0.00000 -0.00014 184 4ZZ 0.00000 0.00008 0.00047 0.00009 0.00078 185 4XY 0.00007 0.00001 0.00002 0.00000 0.00002 186 4XZ 0.00000 0.00006 0.00007 0.00001 0.00003 187 4YZ 0.00000 0.00001 0.00004 0.00003 -0.00016 188 23 H 1S 0.00000 0.00000 0.00000 -0.00073 -0.01284 189 2S 0.00000 0.00000 0.00008 -0.01186 -0.04733 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12398 158 21 O 1S 0.00000 0.00016 2.07557 159 2S -0.00006 -0.00225 -0.04159 0.50359 160 2PX -0.00004 -0.00058 0.00000 0.00000 0.64787 161 2PY -0.00001 -0.00012 0.00000 0.00000 0.00000 162 2PZ -0.00014 -0.00326 0.00000 0.00000 0.00000 163 3S -0.00308 -0.01369 -0.04102 0.45247 0.00000 164 3PX -0.00017 0.00034 0.00000 0.00000 0.20359 165 3PY -0.00010 -0.00030 0.00000 0.00000 0.00000 166 3PZ -0.00288 -0.01158 0.00000 0.00000 0.00000 167 4XX 0.00003 0.00011 -0.00051 -0.00156 0.00000 168 4YY 0.00000 0.00015 -0.00042 -0.00456 0.00000 169 4ZZ 0.00008 0.00047 -0.00047 -0.00300 0.00000 170 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 171 4XZ 0.00006 0.00007 0.00000 0.00000 0.00000 172 4YZ 0.00001 0.00004 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00003 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00010 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00014 0.00000 -0.00001 0.00000 177 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 178 3S 0.00001 0.00029 -0.00002 0.00039 0.00000 179 3PX 0.00002 0.00085 0.00000 0.00000 0.00005 180 3PY 0.00003 0.00122 0.00002 -0.00063 0.00000 181 3PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00000 0.00008 0.00006 -0.00107 -0.00553 161 162 163 164 165 161 2PY 0.66559 162 2PZ 0.00000 0.71655 163 3S 0.00000 0.00000 0.75619 164 3PX 0.00000 0.00000 0.00000 0.26575 165 3PY 0.21181 0.00000 0.00000 0.00000 0.26980 166 3PZ 0.00000 0.23213 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 168 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 169 4ZZ 0.00000 0.00000 -0.00452 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00002 0.00000 0.00002 174 2S -0.00001 0.00000 0.00039 0.00000 -0.00063 175 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 176 2PY -0.00009 0.00000 -0.00113 0.00000 -0.00629 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00113 0.00000 0.00661 0.00000 -0.00516 179 3PX 0.00000 0.00000 0.00000 0.00052 0.00000 180 3PY -0.00629 0.00000 -0.00515 0.00000 -0.02517 181 3PZ 0.00000 0.00014 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00006 183 4YY 0.00001 0.00000 -0.00029 0.00000 0.00002 184 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00005 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00164 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00219 -0.02178 -0.00267 166 167 168 169 170 166 3PZ 0.30854 167 4XX 0.00000 0.00104 168 4YY 0.00000 -0.00011 0.00294 169 4ZZ 0.00000 0.00001 -0.00008 0.00079 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 177 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00002 -0.00029 0.00002 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 -0.00006 0.00002 -0.00005 0.00000 181 3PZ 0.00162 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00433 0.00072 -0.00028 -0.00023 -0.00009 171 172 173 174 175 171 4XZ 0.00045 172 4YZ 0.00000 0.00151 173 22 O 1S 0.00000 0.00000 2.07557 174 2S 0.00000 0.00000 -0.04159 0.50359 175 2PX 0.00000 0.00000 0.00000 0.00000 0.64787 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.04102 0.45247 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.20359 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00051 -0.00156 0.00000 183 4YY 0.00000 0.00000 -0.00042 -0.00456 0.00000 184 4ZZ 0.00000 0.00000 -0.00047 -0.00300 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00001 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00002 0.00001 0.00006 -0.00107 -0.00553 176 177 178 179 180 176 2PY 0.66557 177 2PZ 0.00000 0.71657 178 3S 0.00000 0.00000 0.75619 179 3PX 0.00000 0.00000 0.00000 0.26574 180 3PY 0.21180 0.00000 0.00000 0.00000 0.26979 181 3PZ 0.00000 0.23215 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 184 4ZZ 0.00000 0.00000 -0.00452 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00164 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00219 -0.02178 -0.00267 181 182 183 184 185 181 3PZ 0.30856 182 4XX 0.00000 0.00104 183 4YY 0.00000 -0.00011 0.00294 184 4ZZ 0.00000 0.00001 -0.00008 0.00079 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00433 0.00072 -0.00028 -0.00023 -0.00009 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00000 0.00151 188 23 H 1S 0.00001 0.00000 0.22350 189 2S 0.00002 0.00001 0.11454 0.16576 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64893 4 2PY 0.74795 5 2PZ 0.68316 6 3S 0.50003 7 3PX 0.32199 8 3PY 0.20203 9 3PZ 0.30108 10 4XX -0.01177 11 4YY 0.00154 12 4ZZ -0.00527 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99191 17 2S 0.70501 18 2PX 0.64894 19 2PY 0.74795 20 2PZ 0.68316 21 3S 0.50003 22 3PX 0.32198 23 3PY 0.20204 24 3PZ 0.30108 25 4XX -0.01176 26 4YY 0.00155 27 4ZZ -0.00528 28 4XY 0.00869 29 4XZ 0.00540 30 4YZ 0.00997 31 3 C 1S 1.99262 32 2S 0.70383 33 2PX 0.61234 34 2PY 0.72534 35 2PZ 0.68246 36 3S 0.59622 37 3PX 0.32768 38 3PY 0.24311 39 3PZ 0.25792 40 4XX -0.01515 41 4YY 0.01157 42 4ZZ -0.00535 43 4XY 0.00395 44 4XZ 0.00662 45 4YZ 0.00631 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58932 52 3PX 0.33283 53 3PY 0.27010 54 3PZ 0.28726 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00969 60 4YZ 0.00762 61 5 C 1S 1.99220 62 2S 0.68132 63 2PX 0.72499 64 2PY 0.68461 65 2PZ 0.69614 66 3S 0.58933 67 3PX 0.33283 68 3PY 0.27010 69 3PZ 0.28726 70 4XX 0.00505 71 4YY -0.00217 72 4ZZ -0.00062 73 4XY 0.00716 74 4XZ 0.00969 75 4YZ 0.00762 76 6 C 1S 1.99262 77 2S 0.70383 78 2PX 0.61234 79 2PY 0.72535 80 2PZ 0.68247 81 3S 0.59620 82 3PX 0.32770 83 3PY 0.24310 84 3PZ 0.25792 85 4XX -0.01515 86 4YY 0.01157 87 4ZZ -0.00535 88 4XY 0.00395 89 4XZ 0.00662 90 4YZ 0.00631 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53307 94 2S 0.35110 95 9 H 1S 0.53359 96 2S 0.34361 97 10 H 1S 0.53199 98 2S 0.32149 99 11 H 1S 0.53199 100 2S 0.32148 101 12 H 1S 0.53359 102 2S 0.34361 103 13 H 1S 0.52953 104 2S 0.32410 105 14 H 1S 0.52953 106 2S 0.32409 107 15 C 1S 1.99219 108 2S 0.70394 109 2PX 0.59317 110 2PY 0.75708 111 2PZ 0.65430 112 3S 0.49497 113 3PX 0.25387 114 3PY 0.17399 115 3PZ 0.26760 116 4XX -0.00743 117 4YY 0.00526 118 4ZZ -0.00002 119 4XY 0.01112 120 4XZ 0.01090 121 4YZ 0.01425 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59316 125 2PY 0.75709 126 2PZ 0.65429 127 3S 0.49499 128 3PX 0.25387 129 3PY 0.17400 130 3PZ 0.26760 131 4XX -0.00742 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99193 138 2S 0.70993 139 2PX 0.72993 140 2PY 0.53053 141 2PZ 0.72498 142 3S 0.45538 143 3PX 0.24757 144 3PY 0.09851 145 3PZ 0.23709 146 4XX 0.01406 147 4YY 0.00334 148 4ZZ 0.01373 149 4XY 0.01769 150 4XZ 0.00681 151 4YZ 0.01935 152 18 H 1S 0.52971 153 2S 0.30213 154 19 H 1S 0.54160 155 2S 0.31779 156 20 H 1S 0.52971 157 2S 0.30213 158 21 O 1S 1.99234 159 2S 0.89932 160 2PX 0.93693 161 2PY 0.96353 162 2PZ 1.01239 163 3S 1.00628 164 3PX 0.52120 165 3PY 0.55963 166 3PZ 0.56884 167 4XX 0.00128 168 4YY -0.00122 169 4ZZ -0.00485 170 4XY 0.00766 171 4XZ 0.00371 172 4YZ 0.00695 173 22 O 1S 1.99234 174 2S 0.89932 175 2PX 0.93692 176 2PY 0.96351 177 2PZ 1.01242 178 3S 1.00629 179 3PX 0.52120 180 3PY 0.55961 181 3PZ 0.56887 182 4XX 0.00128 183 4YY -0.00122 184 4ZZ -0.00485 185 4XY 0.00766 186 4XZ 0.00371 187 4YZ 0.00695 188 23 H 1S 0.54013 189 2S 0.30934 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906246 0.509961 -0.043948 -0.031230 -0.023525 0.553385 2 C 0.509961 4.906305 0.553353 -0.023523 -0.031229 -0.043952 3 C -0.043948 0.553353 4.999304 0.374480 -0.033026 -0.022705 4 C -0.031230 -0.023523 0.374480 5.060550 0.333676 -0.033027 5 C -0.023525 -0.031229 -0.033026 0.333676 5.060544 0.374486 6 C 0.553385 -0.043952 -0.022705 -0.033027 0.374486 4.999280 7 H 0.367131 -0.051750 0.006076 -0.000156 0.005698 -0.052127 8 H -0.051748 0.367132 -0.052127 0.005698 -0.000156 0.006076 9 H 0.007379 -0.042416 0.361915 -0.051197 0.005215 0.000137 10 H 0.001073 0.003494 -0.033808 0.352752 -0.027674 0.001389 11 H 0.003494 0.001073 0.001388 -0.027673 0.352750 -0.033807 12 H -0.042416 0.007379 0.000137 0.005215 -0.051198 0.361915 13 H -0.005866 0.001688 0.002384 -0.034064 0.375828 -0.039441 14 H 0.001689 -0.005868 -0.039440 0.375827 -0.034062 0.002383 15 C -0.016893 -0.022841 -0.006325 -0.014421 -0.004120 0.109691 16 C -0.022836 -0.016912 0.109713 -0.004127 -0.014417 -0.006324 17 C -0.000126 -0.000126 0.000261 -0.000444 -0.000445 0.000261 18 H 0.002108 -0.004215 -0.018646 0.000462 0.000286 0.001042 19 H -0.000061 -0.000061 0.000713 0.000522 0.000522 0.000713 20 H -0.004215 0.002108 0.001041 0.000286 0.000461 -0.018637 21 O 0.000580 0.000474 -0.000388 0.000321 -0.004492 -0.010799 22 O 0.000474 0.000580 -0.010802 -0.004491 0.000320 -0.000388 23 H 0.000006 0.000006 -0.000074 0.000065 0.000065 -0.000074 7 8 9 10 11 12 1 C 0.367131 -0.051748 0.007379 0.001073 0.003494 -0.042416 2 C -0.051750 0.367132 -0.042416 0.003494 0.001073 0.007379 3 C 0.006076 -0.052127 0.361915 -0.033808 0.001388 0.000137 4 C -0.000156 0.005698 -0.051197 0.352752 -0.027673 0.005215 5 C 0.005698 -0.000156 0.005215 -0.027674 0.352750 -0.051198 6 C -0.052127 0.006076 0.000137 0.001389 -0.033807 0.361915 7 H 0.624217 -0.007408 -0.000145 0.000017 -0.000199 -0.007994 8 H -0.007408 0.624215 -0.007993 -0.000199 0.000017 -0.000145 9 H -0.000145 -0.007993 0.613630 -0.000666 -0.000156 -0.000004 10 H 0.000017 -0.000199 -0.000666 0.605942 -0.012410 -0.000156 11 H -0.000199 0.000017 -0.000156 -0.012410 0.605945 -0.000666 12 H -0.007994 -0.000145 -0.000004 -0.000156 -0.000666 0.613630 13 H -0.000050 -0.000001 -0.000112 0.004405 -0.042574 -0.000656 14 H -0.000001 -0.000050 -0.000656 -0.042572 0.004406 -0.000112 15 C 0.000631 -0.000074 0.001100 0.000554 -0.010502 -0.008906 16 C -0.000074 0.000631 -0.008909 -0.010499 0.000554 0.001100 17 C 0.000000 0.000000 -0.000038 -0.000290 -0.000290 -0.000038 18 H 0.000020 0.000298 -0.000380 0.000522 -0.000050 -0.000034 19 H 0.000000 0.000000 0.000009 -0.001798 -0.001799 0.000009 20 H 0.000298 0.000020 -0.000034 -0.000050 0.000522 -0.000380 21 O -0.000014 0.000001 -0.000011 0.000123 0.013072 0.000524 22 O 0.000001 -0.000014 0.000524 0.013069 0.000123 -0.000011 23 H 0.000000 0.000000 0.000000 0.000258 0.000258 0.000000 13 14 15 16 17 18 1 C -0.005866 0.001689 -0.016893 -0.022836 -0.000126 0.002108 2 C 0.001688 -0.005868 -0.022841 -0.016912 -0.000126 -0.004215 3 C 0.002384 -0.039440 -0.006325 0.109713 0.000261 -0.018646 4 C -0.034064 0.375827 -0.014421 -0.004127 -0.000444 0.000462 5 C 0.375828 -0.034062 -0.004120 -0.014417 -0.000445 0.000286 6 C -0.039441 0.002383 0.109691 -0.006324 0.000261 0.001042 7 H -0.000050 -0.000001 0.000631 -0.000074 0.000000 0.000020 8 H -0.000001 -0.000050 -0.000074 0.000631 0.000000 0.000298 9 H -0.000112 -0.000656 0.001100 -0.008909 -0.000038 -0.000380 10 H 0.004405 -0.042572 0.000554 -0.010499 -0.000290 0.000522 11 H -0.042574 0.004406 -0.010502 0.000554 -0.000290 -0.000050 12 H -0.000656 -0.000112 -0.008906 0.001100 -0.000038 -0.000034 13 H 0.602108 -0.012450 0.002064 0.000341 -0.000014 0.000003 14 H -0.012450 0.602105 0.000341 0.002065 -0.000014 -0.000059 15 C 0.002064 0.000341 4.923701 0.490185 -0.058170 -0.042181 16 C 0.000341 0.002065 0.490185 4.923721 -0.058171 0.381023 17 C -0.000014 -0.000014 -0.058170 -0.058171 4.669087 0.005648 18 H 0.000003 -0.000059 -0.042181 0.381023 0.005648 0.540731 19 H 0.000088 0.000088 0.004885 0.004884 0.360630 -0.000394 20 H -0.000059 0.000003 0.381022 -0.042181 0.005649 -0.000192 21 O 0.000029 -0.000028 0.230634 -0.039161 0.255629 0.002500 22 O -0.000028 0.000029 -0.039160 0.230623 0.255638 -0.036734 23 H -0.000002 -0.000002 0.003980 0.003981 0.366199 0.000082 19 20 21 22 23 1 C -0.000061 -0.004215 0.000580 0.000474 0.000006 2 C -0.000061 0.002108 0.000474 0.000580 0.000006 3 C 0.000713 0.001041 -0.000388 -0.010802 -0.000074 4 C 0.000522 0.000286 0.000321 -0.004491 0.000065 5 C 0.000522 0.000461 -0.004492 0.000320 0.000065 6 C 0.000713 -0.018637 -0.010799 -0.000388 -0.000074 7 H 0.000000 0.000298 -0.000014 0.000001 0.000000 8 H 0.000000 0.000020 0.000001 -0.000014 0.000000 9 H 0.000009 -0.000034 -0.000011 0.000524 0.000000 10 H -0.001798 -0.000050 0.000123 0.013069 0.000258 11 H -0.001799 0.000522 0.013072 0.000123 0.000258 12 H 0.000009 -0.000380 0.000524 -0.000011 0.000000 13 H 0.000088 -0.000059 0.000029 -0.000028 -0.000002 14 H 0.000088 0.000003 -0.000028 0.000029 -0.000002 15 C 0.004885 0.381022 0.230634 -0.039160 0.003980 16 C 0.004884 -0.042181 -0.039161 0.230623 0.003981 17 C 0.360630 0.005649 0.255629 0.255638 0.366199 18 H -0.000394 -0.000192 0.002500 -0.036734 0.000082 19 H 0.665393 -0.000394 -0.050902 -0.050903 -0.072749 20 H -0.000394 0.540717 -0.036733 0.002500 0.000082 21 O -0.050902 -0.036733 8.190588 -0.042473 -0.035478 22 O -0.050903 0.002500 -0.042473 8.190607 -0.035479 23 H -0.072749 0.000082 -0.035478 -0.035479 0.618342 Mulliken charges: 1 1 C -0.110661 2 C -0.110662 3 C -0.149479 4 C -0.285499 5 C -0.285508 6 C -0.149477 7 H 0.115827 8 H 0.115826 9 H 0.122808 10 H 0.146522 11 H 0.146524 12 H 0.122805 13 H 0.146376 14 H 0.146377 15 C 0.074804 16 C 0.074791 17 C 0.199162 18 H 0.168160 19 H 0.140605 20 H 0.168164 21 O -0.473994 22 O -0.474006 23 H 0.150533 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005166 2 C 0.005164 3 C -0.026671 4 C 0.007400 5 C 0.007393 6 C -0.026672 15 C 0.242969 16 C 0.242952 17 C 0.490300 21 O -0.473994 22 O -0.474006 APT charges: 1 1 C -0.405479 2 C -0.405473 3 C -0.690978 4 C -0.855600 5 C -0.855610 6 C -0.690949 7 H 0.579669 8 H 0.579669 9 H 0.476038 10 H 0.329347 11 H 0.329338 12 H 0.476037 13 H 0.553105 14 H 0.553100 15 C -0.405135 16 C -0.405178 17 C -0.600521 18 H 0.522881 19 H 0.335479 20 H 0.522868 21 O -0.299715 22 O -0.299744 23 H 0.656851 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.174190 2 C 0.174196 3 C -0.214941 4 C 0.026847 5 C 0.026832 6 C -0.214911 15 C 0.117733 16 C 0.117703 17 C 0.391809 21 O -0.299715 22 O -0.299744 Electronic spatial extent (au): = 1462.9381 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2919 Y= -0.0001 Z= -0.2504 Tot= 0.3846 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0585 YY= -66.2586 ZZ= -61.0977 XY= -0.0003 XZ= 2.5913 YZ= -0.0004 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5869 YY= -1.7870 ZZ= 3.3739 XY= -0.0003 XZ= 2.5913 YZ= -0.0004 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3446 YYY= 0.0009 ZZZ= -4.5866 XYY= -4.5873 XXY= -0.0013 XXZ= 2.3255 XZZ= 4.2953 YZZ= -0.0005 YYZ= -4.6289 XYZ= -0.0009 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.4002 YYYY= -454.0310 ZZZZ= -400.8080 XXXY= -0.0032 XXXZ= 25.2339 YYYX= 0.0001 YYYZ= -0.0003 ZZZX= -1.4103 ZZZY= 0.0020 XXYY= -270.3243 XXZZ= -230.4654 YYZZ= -137.0201 XXYZ= -0.0021 YYXZ= 2.4751 ZZXY= 0.0005 N-N= 6.505225269555D+02 E-N=-2.466013625291D+03 KE= 4.958562838049D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176837 29.026233 2 O -19.176829 29.026276 3 O -10.292310 15.888382 4 O -10.238599 15.880971 5 O -10.238018 15.892085 6 O -10.186434 15.889983 7 O -10.186413 15.884534 8 O -10.180363 15.882763 9 O -10.180187 15.889177 10 O -10.169361 15.876088 11 O -10.168859 15.885790 12 O -1.107125 2.296509 13 O -1.013172 2.785700 14 O -0.829084 1.400510 15 O -0.765898 1.721632 16 O -0.733689 1.473760 17 O -0.728675 1.513920 18 O -0.643769 1.895178 19 O -0.614509 1.756400 20 O -0.603976 1.457282 21 O -0.584675 1.408519 22 O -0.532357 1.336067 23 O -0.511506 1.178769 24 O -0.494175 0.996075 25 O -0.470196 1.352483 26 O -0.446704 1.573937 27 O -0.443555 1.142217 28 O -0.441062 1.574491 29 O -0.405576 1.357473 30 O -0.397902 1.212946 31 O -0.389630 1.719082 32 O -0.384144 1.292310 33 O -0.373262 1.574615 34 O -0.355249 2.367378 35 O -0.348812 1.413688 36 O -0.328576 1.796838 37 O -0.319425 1.469868 38 O -0.317078 1.391343 39 O -0.286252 1.368572 40 O -0.198000 1.279610 41 O -0.185602 1.798685 42 V -0.006976 1.479624 43 V 0.010181 1.673663 44 V 0.083769 0.939867 45 V 0.112318 0.984330 46 V 0.119120 1.771760 47 V 0.122465 1.841672 48 V 0.123158 1.000071 49 V 0.135169 1.073543 50 V 0.144246 1.535758 51 V 0.145263 1.041256 52 V 0.163925 1.653014 53 V 0.171448 1.388963 54 V 0.177644 1.367543 55 V 0.192704 1.270968 56 V 0.197719 2.353038 57 V 0.203004 1.219677 58 V 0.228813 1.314947 59 V 0.236115 1.143401 60 V 0.242695 1.411899 61 V 0.249130 1.439857 62 V 0.304401 1.683434 63 V 0.313613 1.479600 64 V 0.326623 1.752519 65 V 0.370110 2.525411 66 V 0.432155 1.929601 67 V 0.473978 1.814192 68 V 0.477942 1.842595 69 V 0.491399 1.615896 70 V 0.508271 2.036049 71 V 0.523157 2.095918 72 V 0.546506 2.522763 73 V 0.547872 1.755642 74 V 0.548669 2.108020 75 V 0.568897 2.371412 76 V 0.579354 2.171799 77 V 0.607446 2.323647 78 V 0.613359 1.951015 79 V 0.618222 1.942364 80 V 0.636317 2.359075 81 V 0.663102 2.521629 82 V 0.678638 2.532026 83 V 0.712839 2.399740 84 V 0.722949 2.418599 85 V 0.740950 2.512555 86 V 0.751917 2.579597 87 V 0.775338 2.173981 88 V 0.795757 2.393422 89 V 0.798761 2.614822 90 V 0.810662 2.533639 91 V 0.828479 2.500894 92 V 0.841991 2.285379 93 V 0.854436 2.766170 94 V 0.864519 2.706298 95 V 0.880619 2.597233 96 V 0.884471 2.488858 97 V 0.885196 2.711265 98 V 0.887091 2.867982 99 V 0.898057 2.577375 100 V 0.913801 2.700590 101 V 0.937174 2.656083 102 V 0.940277 2.589278 103 V 0.951221 2.714822 104 V 1.007969 2.256232 105 V 1.014398 2.335446 106 V 1.022973 2.836242 107 V 1.027191 2.465833 108 V 1.092044 3.076263 109 V 1.099175 2.655384 110 V 1.114142 2.822275 111 V 1.149189 2.615958 112 V 1.151809 2.999929 113 V 1.189378 2.470828 114 V 1.204063 2.547912 115 V 1.251299 2.394840 116 V 1.264444 2.522744 117 V 1.367270 2.620181 118 V 1.370432 2.851949 119 V 1.398344 2.557560 120 V 1.427158 2.655788 121 V 1.432169 2.569786 122 V 1.438607 2.643346 123 V 1.475732 2.604467 124 V 1.492055 2.727516 125 V 1.526436 2.731790 126 V 1.585309 2.729161 127 V 1.639972 2.848227 128 V 1.661073 2.867750 129 V 1.720400 2.847928 130 V 1.723418 2.955679 131 V 1.758448 2.889984 132 V 1.770896 3.084123 133 V 1.794202 3.089679 134 V 1.859995 3.080298 135 V 1.877739 3.223169 136 V 1.885290 3.368956 137 V 1.908434 3.243742 138 V 1.935588 3.247646 139 V 1.958243 3.420416 140 V 1.976491 3.549538 141 V 1.978278 3.713570 142 V 1.981006 3.536278 143 V 2.000548 3.502650 144 V 2.019344 3.666132 145 V 2.041527 3.521298 146 V 2.088854 3.490859 147 V 2.120259 3.689686 148 V 2.140780 3.517665 149 V 2.160265 3.640906 150 V 2.230027 3.505795 151 V 2.254891 3.549558 152 V 2.262095 3.557702 153 V 2.279786 3.600076 154 V 2.291937 3.680202 155 V 2.309521 3.817467 156 V 2.318514 3.601860 157 V 2.371179 3.779060 158 V 2.401491 3.844870 159 V 2.434364 3.875190 160 V 2.448044 3.771078 161 V 2.451422 3.854447 162 V 2.484060 3.927441 163 V 2.522273 3.909370 164 V 2.545402 4.007237 165 V 2.598868 4.362492 166 V 2.627360 4.427671 167 V 2.645162 4.262086 168 V 2.675716 4.223320 169 V 2.692961 4.304412 170 V 2.694418 4.369139 171 V 2.736161 4.291609 172 V 2.765832 4.302917 173 V 2.803847 4.577469 174 V 2.866821 4.485872 175 V 2.879867 4.651795 176 V 2.944551 4.768068 177 V 3.105787 4.916534 178 V 3.131138 4.838642 179 V 4.006178 10.862381 180 V 4.105671 10.794412 181 V 4.127679 10.147675 182 V 4.252013 10.394788 183 V 4.268110 10.249955 184 V 4.362040 10.479329 185 V 4.370216 10.258817 186 V 4.448550 10.340452 187 V 4.489380 10.367805 188 V 4.649641 10.705346 189 V 4.874503 11.552502 Total kinetic energy from orbitals= 4.958562838049D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 204.024 -0.005 180.115 8.212 0.002 127.239 Calling FoFJK, ICntrl= 100147 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000004171 -0.000012612 -0.000004430 2 6 -0.000000449 0.000011875 -0.000003157 3 6 -0.000010109 0.000009417 -0.000001212 4 6 0.000007242 -0.000005701 0.000011147 5 6 0.000007528 0.000005293 0.000012997 6 6 -0.000016339 -0.000007911 -0.000002400 7 1 0.000000106 -0.000000807 -0.000001054 8 1 -0.000000261 0.000000776 -0.000001202 9 1 0.000001833 0.000000092 -0.000004417 10 1 -0.000010168 -0.000005530 -0.000008905 11 1 -0.000009296 0.000005279 -0.000009609 12 1 0.000003581 0.000000182 -0.000003479 13 1 -0.000003601 -0.000001500 0.000001122 14 1 -0.000003475 0.000001247 0.000001357 15 6 0.000007910 0.000032470 0.000016040 16 6 -0.000000719 -0.000031084 0.000014702 17 6 0.000046101 -0.000000673 -0.000042329 18 1 -0.000001773 -0.000002286 -0.000001079 19 1 0.000010183 0.000000106 -0.000004160 20 1 -0.000004107 0.000001711 -0.000002543 21 8 -0.000015140 -0.000053634 0.000017889 22 8 -0.000013605 0.000053585 0.000018328 23 1 0.000000390 -0.000000294 -0.000003607 ------------------------------------------------------------------- Cartesian Forces: Max 0.000053634 RMS 0.000014893 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000045621 RMS 0.000006280 Search for a saddle point. Step number 1 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03191 0.00086 0.00111 0.00176 0.00429 Eigenvalues --- 0.00507 0.01274 0.01369 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02575 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04940 Eigenvalues --- 0.05186 0.05246 0.05742 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11252 Eigenvalues --- 0.11861 0.12444 0.12617 0.15483 0.16306 Eigenvalues --- 0.18373 0.18739 0.23371 0.24268 0.26914 Eigenvalues --- 0.27586 0.29673 0.30157 0.30783 0.32285 Eigenvalues --- 0.32446 0.32887 0.34620 0.35304 0.35333 Eigenvalues --- 0.35475 0.35566 0.36572 0.38193 0.38370 Eigenvalues --- 0.41327 0.41739 0.43944 Eigenvectors required to have negative eigenvalues: R8 R16 D79 D77 D86 1 -0.56543 -0.56533 -0.16958 0.16958 0.14496 D83 D73 D75 R19 D11 1 -0.14495 -0.11838 0.11838 0.11437 -0.11052 RFO step: Lambda0=1.282677525D-08 Lambda=-6.96588422D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00027418 RMS(Int)= 0.00000011 Iteration 2 RMS(Cart)= 0.00000009 RMS(Int)= 0.00000007 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66027 -0.00001 0.00000 0.00000 0.00000 2.66027 R2 2.62032 0.00001 0.00000 -0.00003 -0.00003 2.62029 R3 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R4 2.62035 0.00000 0.00000 -0.00005 -0.00005 2.62029 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.86316 0.00000 0.00000 0.00001 0.00001 2.86316 R7 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R8 4.37545 -0.00001 0.00000 0.00044 0.00044 4.37589 R9 2.94449 0.00000 0.00000 0.00004 0.00004 2.94454 R10 2.07027 0.00000 0.00000 0.00002 0.00002 2.07028 R11 2.07660 0.00000 0.00000 -0.00001 -0.00001 2.07660 R12 2.86314 0.00000 0.00000 0.00002 0.00002 2.86316 R13 2.07027 0.00000 0.00000 0.00001 0.00001 2.07028 R14 2.07661 0.00000 0.00000 -0.00001 -0.00001 2.07660 R15 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R16 4.37581 -0.00001 0.00000 0.00009 0.00009 4.37590 R17 4.44358 -0.00001 0.00000 -0.00242 -0.00242 4.44116 R18 4.44363 0.00000 0.00000 -0.00247 -0.00247 4.44116 R19 2.62524 0.00001 0.00000 0.00001 0.00001 2.62525 R20 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R21 2.63221 -0.00002 0.00000 -0.00001 -0.00001 2.63220 R22 2.03575 0.00000 0.00000 -0.00001 -0.00001 2.03574 R23 2.63225 -0.00002 0.00000 -0.00005 -0.00005 2.63220 R24 2.07616 0.00000 0.00000 0.00002 0.00002 2.07618 R25 2.69197 -0.00004 0.00000 -0.00018 -0.00018 2.69179 R26 2.69196 -0.00005 0.00000 -0.00017 -0.00017 2.69179 R27 2.07492 0.00000 0.00000 -0.00001 -0.00001 2.07491 A1 2.06742 0.00000 0.00000 0.00000 0.00000 2.06741 A2 2.09054 0.00000 0.00000 0.00000 0.00000 2.09053 A3 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A4 2.06739 0.00000 0.00000 0.00002 0.00002 2.06741 A5 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A6 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A7 2.09866 0.00000 0.00000 0.00012 0.00012 2.09878 A8 2.08085 0.00000 0.00000 -0.00004 -0.00004 2.08081 A9 1.72740 0.00000 0.00000 -0.00007 -0.00007 1.72734 A10 2.01641 0.00000 0.00000 0.00003 0.00003 2.01644 A11 1.63595 0.00000 0.00000 -0.00016 -0.00016 1.63579 A12 1.73926 0.00000 0.00000 -0.00002 -0.00002 1.73924 A13 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A14 1.91111 -0.00001 0.00000 -0.00012 -0.00012 1.91100 A15 1.87940 0.00000 0.00000 0.00007 0.00007 1.87947 A16 1.94889 0.00000 0.00000 0.00004 0.00004 1.94893 A17 1.90727 0.00000 0.00000 0.00001 0.00001 1.90728 A18 1.84425 0.00000 0.00000 0.00002 0.00002 1.84427 A19 1.96752 0.00000 0.00000 -0.00001 -0.00001 1.96752 A20 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A21 1.90727 0.00000 0.00000 0.00001 0.00001 1.90728 A22 1.91111 -0.00001 0.00000 -0.00012 -0.00012 1.91100 A23 1.87941 0.00000 0.00000 0.00006 0.00006 1.87947 A24 1.84425 0.00000 0.00000 0.00003 0.00003 1.84427 A25 2.09870 0.00000 0.00000 0.00008 0.00008 2.09878 A26 2.08087 0.00000 0.00000 -0.00005 -0.00005 2.08081 A27 1.72733 0.00000 0.00000 0.00000 0.00000 1.72734 A28 2.01643 0.00000 0.00000 0.00001 0.00001 2.01644 A29 1.63586 0.00000 0.00000 -0.00008 -0.00008 1.63578 A30 1.73925 0.00000 0.00000 -0.00002 -0.00002 1.73924 A31 2.15584 -0.00001 0.00000 -0.00017 -0.00017 2.15568 A32 2.15585 -0.00001 0.00000 -0.00017 -0.00017 2.15568 A33 1.86427 0.00000 0.00000 0.00002 0.00002 1.86429 A34 1.54410 0.00000 0.00000 0.00003 0.00003 1.54413 A35 1.86555 0.00001 0.00000 0.00002 0.00002 1.86557 A36 2.21848 0.00000 0.00000 0.00005 0.00005 2.21853 A37 1.90235 -0.00001 0.00000 -0.00007 -0.00007 1.90228 A38 1.99454 0.00000 0.00000 -0.00002 -0.00002 1.99452 A39 1.86435 0.00000 0.00000 -0.00006 -0.00006 1.86430 A40 1.54423 0.00000 0.00000 -0.00009 -0.00009 1.54414 A41 1.86556 0.00001 0.00000 0.00001 0.00001 1.86557 A42 2.21842 0.00000 0.00000 0.00012 0.00012 2.21853 A43 1.90231 -0.00001 0.00000 -0.00003 -0.00003 1.90228 A44 1.99451 0.00000 0.00000 0.00001 0.00001 1.99452 A45 1.91789 0.00000 0.00000 -0.00001 -0.00001 1.91789 A46 1.91790 0.00000 0.00000 -0.00002 -0.00002 1.91789 A47 1.92091 0.00000 0.00000 0.00001 0.00001 1.92092 A48 1.87431 0.00001 0.00000 0.00001 0.00001 1.87432 A49 1.91614 0.00000 0.00000 0.00001 0.00001 1.91615 A50 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A51 1.05484 0.00001 0.00000 0.00069 0.00069 1.05553 A52 1.82355 0.00000 0.00000 0.00044 0.00043 1.82398 A53 1.82352 0.00000 0.00000 0.00046 0.00046 1.82398 A54 1.86546 0.00001 0.00000 -0.00002 -0.00002 1.86544 A55 1.86546 0.00001 0.00000 -0.00002 -0.00002 1.86544 D1 0.00005 0.00000 0.00000 -0.00005 -0.00005 0.00000 D2 2.90007 0.00000 0.00000 -0.00004 -0.00004 2.90002 D3 -2.90001 0.00000 0.00000 -0.00001 -0.00001 -2.90002 D4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D5 0.60104 0.00000 0.00000 -0.00012 -0.00012 0.60092 D6 -2.99628 0.00000 0.00000 -0.00002 -0.00002 -2.99630 D7 -1.13878 0.00000 0.00000 -0.00005 -0.00005 -1.13883 D8 -2.78334 0.00000 0.00000 -0.00016 -0.00016 -2.78350 D9 -0.09748 0.00000 0.00000 -0.00006 -0.00006 -0.09753 D10 1.76002 0.00000 0.00000 -0.00009 -0.00009 1.75993 D11 -0.60116 0.00000 0.00000 0.00023 0.00023 -0.60093 D12 2.99634 0.00000 0.00000 -0.00005 -0.00005 2.99630 D13 1.13880 0.00000 0.00000 0.00003 0.00003 1.13883 D14 2.78328 0.00000 0.00000 0.00022 0.00022 2.78350 D15 0.09759 0.00000 0.00000 -0.00005 -0.00005 0.09754 D16 -1.75995 0.00000 0.00000 0.00002 0.00002 -1.75993 D17 0.56945 0.00000 0.00000 -0.00024 -0.00024 0.56921 D18 2.75033 0.00000 0.00000 -0.00029 -0.00029 2.75004 D19 -1.53568 0.00000 0.00000 -0.00029 -0.00029 -1.53597 D20 -3.01201 0.00000 0.00000 0.00000 0.00000 -3.01200 D21 -0.83113 0.00000 0.00000 -0.00004 -0.00004 -0.83118 D22 1.16604 0.00000 0.00000 -0.00004 -0.00004 1.16600 D23 -1.22209 0.00000 0.00000 -0.00009 -0.00009 -1.22219 D24 0.95878 0.00000 0.00000 -0.00014 -0.00014 0.95864 D25 2.95596 0.00000 0.00000 -0.00014 -0.00014 2.95582 D26 -0.98652 0.00000 0.00000 0.00001 0.00001 -0.98652 D27 1.25613 0.00000 0.00000 0.00008 0.00008 1.25621 D28 -3.02087 0.00001 0.00000 0.00007 0.00007 -3.02080 D29 1.13266 0.00000 0.00000 0.00008 0.00008 1.13274 D30 -2.90787 0.00000 0.00000 0.00016 0.00016 -2.90771 D31 -0.90169 0.00001 0.00000 0.00014 0.00014 -0.90154 D32 -3.11383 0.00000 0.00000 0.00007 0.00007 -3.11376 D33 -0.87118 0.00000 0.00000 0.00015 0.00015 -0.87103 D34 1.13501 0.00001 0.00000 0.00013 0.00013 1.13514 D35 -0.00008 0.00000 0.00000 0.00008 0.00008 0.00000 D36 2.16004 -0.00001 0.00000 -0.00005 -0.00005 2.15999 D37 -2.08919 0.00000 0.00000 0.00001 0.00001 -2.08919 D38 -2.16021 0.00001 0.00000 0.00021 0.00021 -2.15999 D39 -0.00009 0.00000 0.00000 0.00008 0.00008 0.00000 D40 2.03387 0.00000 0.00000 0.00014 0.00014 2.03401 D41 2.08901 0.00000 0.00000 0.00017 0.00017 2.08918 D42 -2.03405 0.00000 0.00000 0.00003 0.00003 -2.03402 D43 -0.00010 0.00000 0.00000 0.00009 0.00009 0.00000 D44 -1.77062 0.00000 0.00000 -0.00062 -0.00062 -1.77124 D45 0.42101 0.00000 0.00000 -0.00069 -0.00069 0.42032 D46 2.49289 0.00000 0.00000 -0.00065 -0.00065 2.49224 D47 -0.56930 0.00000 0.00000 0.00009 0.00009 -0.56921 D48 3.01199 0.00000 0.00000 0.00001 0.00001 3.01200 D49 1.22212 0.00000 0.00000 0.00007 0.00007 1.22219 D50 -2.75017 0.00000 0.00000 0.00014 0.00014 -2.75003 D51 0.83112 0.00000 0.00000 0.00006 0.00006 0.83118 D52 -0.95875 0.00000 0.00000 0.00011 0.00011 -0.95864 D53 1.53584 0.00000 0.00000 0.00014 0.00014 1.53598 D54 -1.16606 0.00000 0.00000 0.00006 0.00006 -1.16600 D55 -2.95593 0.00000 0.00000 0.00011 0.00011 -2.95582 D56 -0.42087 0.00000 0.00000 0.00056 0.00055 -0.42031 D57 1.77076 0.00000 0.00000 0.00049 0.00049 1.77124 D58 -2.49274 0.00000 0.00000 0.00051 0.00051 -2.49223 D59 0.98649 0.00000 0.00000 0.00003 0.00003 0.98652 D60 -1.25617 0.00000 0.00000 -0.00004 -0.00004 -1.25622 D61 3.02083 -0.00001 0.00000 -0.00003 -0.00003 3.02080 D62 -1.13271 0.00000 0.00000 -0.00004 -0.00004 -1.13274 D63 2.90782 0.00000 0.00000 -0.00011 -0.00011 2.90771 D64 0.90164 -0.00001 0.00000 -0.00010 -0.00010 0.90154 D65 3.11379 0.00000 0.00000 -0.00003 -0.00003 3.11376 D66 0.87113 0.00000 0.00000 -0.00010 -0.00010 0.87102 D67 -1.13505 -0.00001 0.00000 -0.00009 -0.00009 -1.13514 D68 -0.45505 0.00000 0.00000 0.00062 0.00062 -0.45443 D69 1.26672 0.00000 0.00000 0.00105 0.00105 1.26777 D70 0.45499 0.00000 0.00000 -0.00056 -0.00056 0.45443 D71 -1.26683 0.00000 0.00000 -0.00094 -0.00094 -1.26777 D72 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D73 -1.76589 0.00000 0.00000 0.00011 0.00011 -1.76578 D74 2.00981 0.00001 0.00000 -0.00005 -0.00005 2.00976 D75 1.76572 0.00000 0.00000 0.00007 0.00007 1.76578 D76 -0.00019 0.00000 0.00000 0.00019 0.00019 0.00000 D77 -2.50768 0.00000 0.00000 0.00003 0.00003 -2.50765 D78 -2.00974 -0.00001 0.00000 -0.00001 -0.00001 -2.00976 D79 2.50754 0.00000 0.00000 0.00011 0.00011 2.50764 D80 0.00005 0.00000 0.00000 -0.00005 -0.00005 0.00000 D81 -1.91049 0.00000 0.00000 0.00049 0.00049 -1.91001 D82 0.09844 0.00000 0.00000 0.00048 0.00048 0.09893 D83 2.69535 -0.00001 0.00000 0.00045 0.00045 2.69580 D84 1.91049 0.00000 0.00000 -0.00048 -0.00048 1.91001 D85 -0.09852 0.00000 0.00000 -0.00041 -0.00041 -0.09893 D86 -2.69521 0.00001 0.00000 -0.00058 -0.00058 -2.69580 D87 -1.57603 -0.00001 0.00000 -0.00043 -0.00043 -1.57646 D88 -0.48275 0.00000 0.00000 0.00043 0.00043 -0.48232 D89 0.48276 0.00000 0.00000 -0.00044 -0.00044 0.48232 D90 1.57604 0.00001 0.00000 0.00042 0.00042 1.57646 D91 2.59497 0.00000 0.00000 -0.00045 -0.00045 2.59452 D92 -2.59494 0.00000 0.00000 0.00042 0.00042 -2.59452 D93 1.92796 0.00000 0.00000 -0.00076 -0.00076 1.92720 D94 -0.15765 0.00000 0.00000 -0.00074 -0.00074 -0.15839 D95 -2.24017 0.00000 0.00000 -0.00074 -0.00074 -2.24092 D96 -1.92792 0.00000 0.00000 0.00072 0.00072 -1.92720 D97 0.15768 0.00000 0.00000 0.00071 0.00071 0.15839 D98 2.24020 0.00000 0.00000 0.00072 0.00072 2.24092 Item Value Threshold Converged? Maximum Force 0.000046 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.002198 0.001800 NO RMS Displacement 0.000274 0.001200 YES Predicted change in Energy=-2.841603D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.109609 0.703774 -0.726825 2 6 0 2.109576 -0.703983 -0.726707 3 6 0 1.193999 -1.364542 0.078302 4 6 0 0.792352 -0.778985 1.416733 5 6 0 0.792387 0.779197 1.416602 6 6 0 1.194064 1.364511 0.078074 7 1 0 2.649217 1.244203 -1.502166 8 1 0 2.649159 -1.244567 -1.501958 9 1 0 1.088564 -2.444714 -0.012169 10 1 0 -0.181039 -1.183396 1.715374 11 1 0 -0.180987 1.183703 1.715172 12 1 0 1.088678 2.444673 -0.012579 13 1 0 1.507642 1.142065 2.167795 14 1 0 1.507594 -1.141758 2.167984 15 6 0 -0.758527 0.694549 -0.971056 16 6 0 -0.758556 -0.694672 -0.970938 17 6 0 -2.404076 0.000091 0.418711 18 1 0 -0.506274 -1.344752 -1.792071 19 1 0 -2.199761 0.000178 1.498214 20 1 0 -0.506215 1.344481 -1.792297 21 8 0 -1.815904 1.147951 -0.185845 22 8 0 -1.815953 -1.147896 -0.185652 23 1 0 -3.487505 0.000099 0.240458 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.407757 0.000000 3 C 2.400938 1.386600 0.000000 4 C 2.920373 2.516951 1.515121 0.000000 5 C 2.516951 2.920374 2.558897 1.558182 0.000000 6 C 1.386600 2.400938 2.729053 2.558897 1.515121 7 H 1.088299 2.165174 3.379511 4.007644 3.490453 8 H 2.165174 1.088299 2.151536 3.490452 4.007645 9 H 3.386184 2.140835 1.089070 2.214533 3.538744 10 H 3.843542 3.382383 2.145587 1.095548 2.211017 11 H 3.382382 3.843541 3.326180 2.211017 1.095548 12 H 2.140835 3.386184 3.811754 3.538745 2.214533 13 H 2.988861 3.485450 3.278327 2.183155 1.098888 14 H 3.485446 2.988857 2.124793 1.098888 2.183155 15 C 2.878530 3.200252 3.025453 3.205942 2.848404 16 C 3.200252 2.878527 2.315621 2.848403 3.205942 17 C 4.709647 4.709646 3.863191 3.438046 3.438047 18 H 3.489134 2.896249 2.527769 3.507556 4.061190 19 H 4.900665 4.900663 3.923801 3.092971 3.092972 20 H 2.896251 3.489133 3.705223 4.061189 3.507555 21 O 3.987431 4.373966 3.929619 3.617228 3.083342 22 O 4.373967 3.987427 3.029260 3.083340 3.617228 23 H 5.723503 5.723500 4.879039 4.506415 4.506416 6 7 8 9 10 6 C 0.000000 7 H 2.151536 0.000000 8 H 3.379511 2.488770 0.000000 9 H 3.811754 4.273622 2.468862 0.000000 10 H 3.326182 4.925054 4.285439 2.487412 0.000000 11 H 2.145587 4.285438 4.925053 4.214365 2.367099 12 H 1.089070 2.468862 4.273622 4.889387 4.214367 13 H 2.124793 3.844768 4.523954 4.218158 2.909312 14 H 3.278324 4.523950 3.844765 2.574169 1.748734 15 C 2.315628 3.492409 3.956558 3.766455 3.328224 16 C 3.025456 3.956559 3.492405 2.719142 2.790815 17 C 3.863197 5.547375 5.547372 4.285004 2.832644 18 H 3.705226 4.091927 3.170325 2.630870 3.526186 19 H 3.923805 5.836306 5.836304 4.367131 2.350158 20 H 2.527773 3.170329 4.091926 4.479975 4.335857 21 O 3.029267 4.656101 5.233840 4.623130 3.423828 22 O 3.929624 5.233841 4.656096 3.185600 2.507609 23 H 4.879045 6.499531 6.499527 5.194356 3.809037 11 12 13 14 15 11 H 0.000000 12 H 2.487412 0.000000 13 H 1.748734 2.574170 0.000000 14 H 2.909315 4.218156 2.283823 0.000000 15 C 2.790814 2.719150 3.897201 4.284962 0.000000 16 C 3.328222 3.766459 4.284962 3.897198 1.389221 17 C 2.832644 4.285012 4.434517 4.434517 2.263086 18 H 4.335856 4.479979 5.091234 4.447349 2.212792 19 H 2.350160 4.367137 3.936633 3.936634 2.942210 20 H 3.526182 2.630874 4.447350 5.091232 1.077270 21 O 2.507608 3.185609 4.072544 4.672143 1.392901 22 O 3.423828 4.623136 4.672143 4.072543 2.264865 23 H 3.809037 5.194365 5.474506 5.474506 3.065510 16 17 18 19 20 16 C 0.000000 17 C 2.263086 0.000000 18 H 1.077270 3.209021 0.000000 19 H 2.942210 1.098668 3.937348 0.000000 20 H 2.212793 3.209022 2.689234 3.937348 0.000000 21 O 2.264865 1.424436 3.241707 2.073833 2.081969 22 O 1.392902 1.424436 2.081969 2.073833 3.241707 23 H 3.065510 1.097995 3.850654 1.800066 3.850655 21 22 23 21 O 0.000000 22 O 2.295847 0.000000 23 H 2.072088 2.072088 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109604 -0.703815 -0.726791 2 6 0 -2.109601 0.703941 -0.726673 3 6 0 -1.194038 1.364520 0.078337 4 6 0 -0.792378 0.778972 1.416768 5 6 0 -0.792380 -0.779211 1.416637 6 6 0 -1.194045 -1.364533 0.078109 7 1 0 -2.649201 -1.244256 -1.502132 8 1 0 -2.649196 1.244514 -1.501923 9 1 0 -1.088626 2.444694 -0.012134 10 1 0 0.181004 1.183404 1.715409 11 1 0 0.181002 -1.183695 1.715206 12 1 0 -1.088636 -2.444692 -0.012545 13 1 0 -1.507628 -1.142093 2.167829 14 1 0 -1.507628 1.141730 2.168019 15 6 0 0.758532 -0.694530 -0.971021 16 6 0 0.758531 0.694692 -0.970904 17 6 0 2.404066 -0.000036 0.418746 18 1 0 0.506236 1.344767 -1.792037 19 1 0 2.199751 -0.000127 1.498249 20 1 0 0.506234 -1.344467 -1.792262 21 8 0 1.815918 -1.147909 -0.185811 22 8 0 1.815919 1.147938 -0.185617 23 1 0 3.487495 -0.000021 0.240492 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127349 0.9486815 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5320749632 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\hjk114\3rd Year Labs\ex 2\ex2-EXO-gfprint.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000001 -0.000012 -0.000009 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=164757679. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668996 A.U. after 7 cycles NFock= 7 Conv=0.51D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000128 -0.000000028 0.000000323 2 6 0.000000140 0.000000040 0.000000314 3 6 -0.000000037 -0.000000018 0.000000161 4 6 -0.000000189 -0.000000054 0.000000117 5 6 -0.000000179 0.000000038 0.000000110 6 6 -0.000000026 0.000000017 0.000000178 7 1 0.000000280 0.000000001 0.000000416 8 1 0.000000277 0.000000001 0.000000408 9 1 0.000000021 0.000000006 0.000000146 10 1 -0.000000281 -0.000000037 -0.000000058 11 1 -0.000000283 0.000000024 -0.000000049 12 1 0.000000028 -0.000000010 0.000000160 13 1 -0.000000350 -0.000000005 0.000000224 14 1 -0.000000355 -0.000000012 0.000000219 15 6 0.000000209 0.000000066 -0.000000140 16 6 0.000000217 -0.000000062 -0.000000151 17 6 -0.000000085 -0.000000003 -0.000000425 18 1 0.000000312 0.000000006 -0.000000133 19 1 -0.000000228 0.000000002 -0.000000426 20 1 0.000000315 0.000000008 -0.000000124 21 8 0.000000059 0.000000046 -0.000000322 22 8 0.000000049 -0.000000033 -0.000000320 23 1 -0.000000021 0.000000007 -0.000000628 ------------------------------------------------------------------- Cartesian Forces: Max 0.000000628 RMS 0.000000204 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000000063 RMS 0.000000010 Search for a saddle point. Step number 2 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 1 2 ITU= 0 0 Eigenvalues --- -0.03191 0.00087 0.00111 0.00176 0.00429 Eigenvalues --- 0.00507 0.01274 0.01369 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02575 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04940 Eigenvalues --- 0.05186 0.05246 0.05742 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11252 Eigenvalues --- 0.11861 0.12444 0.12617 0.15483 0.16306 Eigenvalues --- 0.18373 0.18739 0.23371 0.24268 0.26914 Eigenvalues --- 0.27586 0.29673 0.30157 0.30783 0.32285 Eigenvalues --- 0.32446 0.32887 0.34620 0.35304 0.35333 Eigenvalues --- 0.35475 0.35566 0.36572 0.38193 0.38370 Eigenvalues --- 0.41327 0.41739 0.43944 Eigenvectors required to have negative eigenvalues: R8 R16 D77 D79 D86 1 -0.56542 -0.56535 0.16959 -0.16958 0.14493 D83 D73 D75 R19 D11 1 -0.14493 -0.11839 0.11839 0.11437 -0.11052 RFO step: Lambda0=5.295069938D-14 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00000077 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R2 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R3 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R4 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R7 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R8 4.37589 0.00000 0.00000 0.00000 0.00000 4.37589 R9 2.94454 0.00000 0.00000 0.00000 0.00000 2.94454 R10 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R11 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R12 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R13 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R14 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R15 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R16 4.37590 0.00000 0.00000 0.00000 0.00000 4.37590 R17 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R18 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R19 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R20 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R21 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R22 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R23 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R24 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R25 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R26 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R27 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 A1 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A2 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A3 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A4 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A5 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A6 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A7 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A8 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A9 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A10 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A11 1.63579 0.00000 0.00000 0.00000 0.00000 1.63579 A12 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A13 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A14 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A15 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A16 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A17 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A18 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A19 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A20 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A21 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A22 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A23 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A24 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A25 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A26 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A27 1.72734 0.00000 0.00000 0.00000 0.00000 1.72733 A28 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A29 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A30 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A31 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A32 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A33 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A34 1.54413 0.00000 0.00000 0.00000 0.00000 1.54413 A35 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A36 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A37 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A38 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A39 1.86430 0.00000 0.00000 0.00000 0.00000 1.86430 A40 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A41 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A42 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A43 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A44 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A45 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A46 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A47 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A48 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A49 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A50 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A51 1.05553 0.00000 0.00000 0.00000 0.00000 1.05553 A52 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A53 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A54 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A55 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 2.90002 0.00000 0.00000 0.00000 0.00000 2.90002 D3 -2.90002 0.00000 0.00000 0.00000 0.00000 -2.90002 D4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D5 0.60092 0.00000 0.00000 0.00000 0.00000 0.60092 D6 -2.99630 0.00000 0.00000 0.00000 0.00000 -2.99630 D7 -1.13883 0.00000 0.00000 0.00000 0.00000 -1.13883 D8 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D9 -0.09753 0.00000 0.00000 0.00000 0.00000 -0.09753 D10 1.75993 0.00000 0.00000 0.00000 0.00000 1.75993 D11 -0.60093 0.00000 0.00000 0.00000 0.00000 -0.60093 D12 2.99630 0.00000 0.00000 0.00000 0.00000 2.99630 D13 1.13883 0.00000 0.00000 0.00000 0.00000 1.13883 D14 2.78350 0.00000 0.00000 0.00000 0.00000 2.78350 D15 0.09754 0.00000 0.00000 0.00000 0.00000 0.09754 D16 -1.75993 0.00000 0.00000 0.00000 0.00000 -1.75993 D17 0.56921 0.00000 0.00000 0.00000 0.00000 0.56921 D18 2.75004 0.00000 0.00000 0.00000 0.00000 2.75004 D19 -1.53597 0.00000 0.00000 0.00000 0.00000 -1.53597 D20 -3.01200 0.00000 0.00000 0.00000 0.00000 -3.01200 D21 -0.83118 0.00000 0.00000 0.00000 0.00000 -0.83118 D22 1.16600 0.00000 0.00000 0.00000 0.00000 1.16600 D23 -1.22219 0.00000 0.00000 0.00000 0.00000 -1.22219 D24 0.95864 0.00000 0.00000 0.00000 0.00000 0.95864 D25 2.95582 0.00000 0.00000 0.00000 0.00000 2.95582 D26 -0.98652 0.00000 0.00000 0.00000 0.00000 -0.98652 D27 1.25621 0.00000 0.00000 0.00000 0.00000 1.25621 D28 -3.02080 0.00000 0.00000 0.00000 0.00000 -3.02080 D29 1.13274 0.00000 0.00000 0.00000 0.00000 1.13274 D30 -2.90771 0.00000 0.00000 0.00000 0.00000 -2.90771 D31 -0.90154 0.00000 0.00000 0.00000 0.00000 -0.90154 D32 -3.11376 0.00000 0.00000 0.00000 0.00000 -3.11376 D33 -0.87103 0.00000 0.00000 0.00000 0.00000 -0.87103 D34 1.13514 0.00000 0.00000 0.00000 0.00000 1.13514 D35 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D36 2.15999 0.00000 0.00000 0.00000 0.00000 2.15999 D37 -2.08919 0.00000 0.00000 0.00000 0.00000 -2.08919 D38 -2.15999 0.00000 0.00000 0.00000 0.00000 -2.15999 D39 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D40 2.03401 0.00000 0.00000 0.00000 0.00000 2.03401 D41 2.08918 0.00000 0.00000 0.00000 0.00000 2.08918 D42 -2.03402 0.00000 0.00000 0.00000 0.00000 -2.03402 D43 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D44 -1.77124 0.00000 0.00000 0.00000 0.00000 -1.77124 D45 0.42032 0.00000 0.00000 0.00000 0.00000 0.42032 D46 2.49224 0.00000 0.00000 0.00000 0.00000 2.49224 D47 -0.56921 0.00000 0.00000 0.00000 0.00000 -0.56921 D48 3.01200 0.00000 0.00000 0.00000 0.00000 3.01200 D49 1.22219 0.00000 0.00000 0.00000 0.00000 1.22219 D50 -2.75003 0.00000 0.00000 0.00000 0.00000 -2.75003 D51 0.83118 0.00000 0.00000 0.00000 0.00000 0.83118 D52 -0.95864 0.00000 0.00000 0.00000 0.00000 -0.95864 D53 1.53598 0.00000 0.00000 0.00000 0.00000 1.53598 D54 -1.16600 0.00000 0.00000 0.00000 0.00000 -1.16600 D55 -2.95582 0.00000 0.00000 0.00000 0.00000 -2.95582 D56 -0.42031 0.00000 0.00000 0.00000 0.00000 -0.42031 D57 1.77124 0.00000 0.00000 0.00000 0.00000 1.77124 D58 -2.49223 0.00000 0.00000 0.00000 0.00000 -2.49223 D59 0.98652 0.00000 0.00000 0.00000 0.00000 0.98652 D60 -1.25622 0.00000 0.00000 0.00000 0.00000 -1.25622 D61 3.02080 0.00000 0.00000 0.00000 0.00000 3.02080 D62 -1.13274 0.00000 0.00000 0.00000 0.00000 -1.13274 D63 2.90771 0.00000 0.00000 0.00000 0.00000 2.90771 D64 0.90154 0.00000 0.00000 0.00000 0.00000 0.90154 D65 3.11376 0.00000 0.00000 0.00000 0.00000 3.11376 D66 0.87102 0.00000 0.00000 0.00000 0.00000 0.87103 D67 -1.13514 0.00000 0.00000 0.00000 0.00000 -1.13514 D68 -0.45443 0.00000 0.00000 0.00000 0.00000 -0.45443 D69 1.26777 0.00000 0.00000 0.00000 0.00000 1.26777 D70 0.45443 0.00000 0.00000 0.00000 0.00000 0.45443 D71 -1.26777 0.00000 0.00000 0.00000 0.00000 -1.26777 D72 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D73 -1.76578 0.00000 0.00000 0.00000 0.00000 -1.76579 D74 2.00976 0.00000 0.00000 0.00000 0.00000 2.00976 D75 1.76578 0.00000 0.00000 0.00000 0.00000 1.76578 D76 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D77 -2.50765 0.00000 0.00000 0.00000 0.00000 -2.50765 D78 -2.00976 0.00000 0.00000 0.00000 0.00000 -2.00976 D79 2.50764 0.00000 0.00000 0.00000 0.00000 2.50764 D80 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D81 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D82 0.09893 0.00000 0.00000 0.00000 0.00000 0.09892 D83 2.69580 0.00000 0.00000 0.00000 0.00000 2.69580 D84 1.91001 0.00000 0.00000 0.00000 0.00000 1.91001 D85 -0.09893 0.00000 0.00000 0.00000 0.00000 -0.09892 D86 -2.69580 0.00000 0.00000 0.00000 0.00000 -2.69579 D87 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D88 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D89 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D90 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D91 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D92 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D93 1.92720 0.00000 0.00000 0.00000 0.00000 1.92720 D94 -0.15839 0.00000 0.00000 0.00000 0.00000 -0.15839 D95 -2.24092 0.00000 0.00000 0.00000 0.00000 -2.24091 D96 -1.92720 0.00000 0.00000 0.00000 0.00000 -1.92720 D97 0.15839 0.00000 0.00000 0.00000 0.00000 0.15839 D98 2.24092 0.00000 0.00000 0.00000 0.00000 2.24091 Item Value Threshold Converged? Maximum Force 0.000000 0.000450 YES RMS Force 0.000000 0.000300 YES Maximum Displacement 0.000006 0.001800 YES RMS Displacement 0.000001 0.001200 YES Predicted change in Energy=-1.070477D-13 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4078 -DE/DX = 0.0 ! ! R2 R(1,6) 1.3866 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0883 -DE/DX = 0.0 ! ! R4 R(2,3) 1.3866 -DE/DX = 0.0 ! ! R5 R(2,8) 1.0883 -DE/DX = 0.0 ! ! R6 R(3,4) 1.5151 -DE/DX = 0.0 ! ! R7 R(3,9) 1.0891 -DE/DX = 0.0 ! ! R8 R(3,16) 2.3156 -DE/DX = 0.0 ! ! R9 R(4,5) 1.5582 -DE/DX = 0.0 ! ! R10 R(4,10) 1.0955 -DE/DX = 0.0 ! ! R11 R(4,14) 1.0989 -DE/DX = 0.0 ! ! R12 R(5,6) 1.5151 -DE/DX = 0.0 ! ! R13 R(5,11) 1.0955 -DE/DX = 0.0 ! ! R14 R(5,13) 1.0989 -DE/DX = 0.0 ! ! R15 R(6,12) 1.0891 -DE/DX = 0.0 ! ! R16 R(6,15) 2.3156 -DE/DX = 0.0 ! ! R17 R(10,19) 2.3502 -DE/DX = 0.0 ! ! R18 R(11,19) 2.3502 -DE/DX = 0.0 ! ! R19 R(15,16) 1.3892 -DE/DX = 0.0 ! ! R20 R(15,20) 1.0773 -DE/DX = 0.0 ! ! R21 R(15,21) 1.3929 -DE/DX = 0.0 ! ! R22 R(16,18) 1.0773 -DE/DX = 0.0 ! ! R23 R(16,22) 1.3929 -DE/DX = 0.0 ! ! R24 R(17,19) 1.0987 -DE/DX = 0.0 ! ! R25 R(17,21) 1.4244 -DE/DX = 0.0 ! ! R26 R(17,22) 1.4244 -DE/DX = 0.0 ! ! R27 R(17,23) 1.098 -DE/DX = 0.0 ! ! A1 A(2,1,6) 118.4539 -DE/DX = 0.0 ! ! A2 A(2,1,7) 119.7788 -DE/DX = 0.0 ! ! A3 A(6,1,7) 120.2857 -DE/DX = 0.0 ! ! A4 A(1,2,3) 118.4539 -DE/DX = 0.0 ! ! A5 A(1,2,8) 119.7788 -DE/DX = 0.0 ! ! A6 A(3,2,8) 120.2858 -DE/DX = 0.0 ! ! A7 A(2,3,4) 120.251 -DE/DX = 0.0 ! ! A8 A(2,3,9) 119.2218 -DE/DX = 0.0 ! ! A9 A(2,3,16) 98.9691 -DE/DX = 0.0 ! ! A10 A(4,3,9) 115.5334 -DE/DX = 0.0 ! ! A11 A(4,3,16) 93.7236 -DE/DX = 0.0 ! ! A12 A(9,3,16) 99.6509 -DE/DX = 0.0 ! ! A13 A(3,4,5) 112.7304 -DE/DX = 0.0 ! ! A14 A(3,4,10) 109.492 -DE/DX = 0.0 ! ! A15 A(3,4,14) 107.6855 -DE/DX = 0.0 ! ! A16 A(5,4,10) 111.6653 -DE/DX = 0.0 ! ! A17 A(5,4,14) 109.2791 -DE/DX = 0.0 ! ! A18 A(10,4,14) 105.6691 -DE/DX = 0.0 ! ! A19 A(4,5,6) 112.7304 -DE/DX = 0.0 ! ! A20 A(4,5,11) 111.6653 -DE/DX = 0.0 ! ! A21 A(4,5,13) 109.2791 -DE/DX = 0.0 ! ! A22 A(6,5,11) 109.492 -DE/DX = 0.0 ! ! A23 A(6,5,13) 107.6856 -DE/DX = 0.0 ! ! A24 A(11,5,13) 105.669 -DE/DX = 0.0 ! ! A25 A(1,6,5) 120.251 -DE/DX = 0.0 ! ! A26 A(1,6,12) 119.2218 -DE/DX = 0.0 ! ! A27 A(1,6,15) 98.969 -DE/DX = 0.0 ! ! A28 A(5,6,12) 115.5335 -DE/DX = 0.0 ! ! A29 A(5,6,15) 93.7234 -DE/DX = 0.0 ! ! A30 A(12,6,15) 99.651 -DE/DX = 0.0 ! ! A31 A(4,10,19) 123.5113 -DE/DX = 0.0 ! ! A32 A(5,11,19) 123.5113 -DE/DX = 0.0 ! ! A33 A(6,15,16) 106.8161 -DE/DX = 0.0 ! ! A34 A(6,15,20) 88.4724 -DE/DX = 0.0 ! ! A35 A(6,15,21) 106.8895 -DE/DX = 0.0 ! ! A36 A(16,15,20) 127.1126 -DE/DX = 0.0 ! ! A37 A(16,15,21) 108.9925 -DE/DX = 0.0 ! ! A38 A(20,15,21) 114.2776 -DE/DX = 0.0 ! ! A39 A(3,16,15) 106.8163 -DE/DX = 0.0 ! ! A40 A(3,16,18) 88.4725 -DE/DX = 0.0 ! ! A41 A(3,16,22) 106.8894 -DE/DX = 0.0 ! ! A42 A(15,16,18) 127.1125 -DE/DX = 0.0 ! ! A43 A(15,16,22) 108.9925 -DE/DX = 0.0 ! ! A44 A(18,16,22) 114.2776 -DE/DX = 0.0 ! ! A45 A(19,17,21) 109.8868 -DE/DX = 0.0 ! ! A46 A(19,17,22) 109.8868 -DE/DX = 0.0 ! ! A47 A(19,17,23) 110.0605 -DE/DX = 0.0 ! ! A48 A(21,17,22) 107.3905 -DE/DX = 0.0 ! ! A49 A(21,17,23) 109.7874 -DE/DX = 0.0 ! ! A50 A(22,17,23) 109.7874 -DE/DX = 0.0 ! ! A51 A(10,19,11) 60.4775 -DE/DX = 0.0 ! ! A52 A(10,19,17) 104.5066 -DE/DX = 0.0 ! ! A53 A(11,19,17) 104.5065 -DE/DX = 0.0 ! ! A54 A(15,21,17) 106.8819 -DE/DX = 0.0 ! ! A55 A(16,22,17) 106.8819 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) 0.0001 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) 166.1591 -DE/DX = 0.0 ! ! D3 D(7,1,2,3) -166.1591 -DE/DX = 0.0 ! ! D4 D(7,1,2,8) 0.0 -DE/DX = 0.0 ! ! D5 D(2,1,6,5) 34.4304 -DE/DX = 0.0 ! ! D6 D(2,1,6,12) -171.6751 -DE/DX = 0.0 ! ! D7 D(2,1,6,15) -65.2502 -DE/DX = 0.0 ! ! D8 D(7,1,6,5) -159.4828 -DE/DX = 0.0 ! ! D9 D(7,1,6,12) -5.5883 -DE/DX = 0.0 ! ! D10 D(7,1,6,15) 100.8365 -DE/DX = 0.0 ! ! D11 D(1,2,3,4) -34.4306 -DE/DX = 0.0 ! ! D12 D(1,2,3,9) 171.6752 -DE/DX = 0.0 ! ! D13 D(1,2,3,16) 65.2503 -DE/DX = 0.0 ! ! D14 D(8,2,3,4) 159.4827 -DE/DX = 0.0 ! ! D15 D(8,2,3,9) 5.5885 -DE/DX = 0.0 ! ! D16 D(8,2,3,16) -100.8364 -DE/DX = 0.0 ! ! D17 D(2,3,4,5) 32.6134 -DE/DX = 0.0 ! ! D18 D(2,3,4,10) 157.5655 -DE/DX = 0.0 ! ! D19 D(2,3,4,14) -88.0047 -DE/DX = 0.0 ! ! D20 D(9,3,4,5) -172.575 -DE/DX = 0.0 ! ! D21 D(9,3,4,10) -47.6229 -DE/DX = 0.0 ! ! D22 D(9,3,4,14) 66.8069 -DE/DX = 0.0 ! ! D23 D(16,3,4,5) -70.0261 -DE/DX = 0.0 ! ! D24 D(16,3,4,10) 54.926 -DE/DX = 0.0 ! ! D25 D(16,3,4,14) 169.3558 -DE/DX = 0.0 ! ! D26 D(2,3,16,15) -56.5233 -DE/DX = 0.0 ! ! D27 D(2,3,16,18) 71.9758 -DE/DX = 0.0 ! ! D28 D(2,3,16,22) -173.0793 -DE/DX = 0.0 ! ! D29 D(4,3,16,15) 64.9013 -DE/DX = 0.0 ! ! D30 D(4,3,16,18) -166.5997 -DE/DX = 0.0 ! ! D31 D(4,3,16,22) -51.6547 -DE/DX = 0.0 ! ! D32 D(9,3,16,15) -178.4052 -DE/DX = 0.0 ! ! D33 D(9,3,16,18) -49.9061 -DE/DX = 0.0 ! ! D34 D(9,3,16,22) 65.0388 -DE/DX = 0.0 ! ! D35 D(3,4,5,6) -0.0002 -DE/DX = 0.0 ! ! D36 D(3,4,5,11) 123.7582 -DE/DX = 0.0 ! ! D37 D(3,4,5,13) -119.7015 -DE/DX = 0.0 ! ! D38 D(10,4,5,6) -123.7586 -DE/DX = 0.0 ! ! D39 D(10,4,5,11) -0.0002 -DE/DX = 0.0 ! ! D40 D(10,4,5,13) 116.5401 -DE/DX = 0.0 ! ! D41 D(14,4,5,6) 119.7011 -DE/DX = 0.0 ! ! D42 D(14,4,5,11) -116.5405 -DE/DX = 0.0 ! ! D43 D(14,4,5,13) -0.0002 -DE/DX = 0.0 ! ! D44 D(3,4,10,19) -101.4844 -DE/DX = 0.0 ! ! D45 D(5,4,10,19) 24.0825 -DE/DX = 0.0 ! ! D46 D(14,4,10,19) 142.7946 -DE/DX = 0.0 ! ! D47 D(4,5,6,1) -32.6131 -DE/DX = 0.0 ! ! D48 D(4,5,6,12) 172.5751 -DE/DX = 0.0 ! ! D49 D(4,5,6,15) 70.0262 -DE/DX = 0.0 ! ! D50 D(11,5,6,1) -157.5652 -DE/DX = 0.0 ! ! D51 D(11,5,6,12) 47.6229 -DE/DX = 0.0 ! ! D52 D(11,5,6,15) -54.926 -DE/DX = 0.0 ! ! D53 D(13,5,6,1) 88.005 -DE/DX = 0.0 ! ! D54 D(13,5,6,12) -66.8069 -DE/DX = 0.0 ! ! D55 D(13,5,6,15) -169.3557 -DE/DX = 0.0 ! ! D56 D(4,5,11,19) -24.0821 -DE/DX = 0.0 ! ! D57 D(6,5,11,19) 101.4848 -DE/DX = 0.0 ! ! D58 D(13,5,11,19) -142.7943 -DE/DX = 0.0 ! ! D59 D(1,6,15,16) 56.5232 -DE/DX = 0.0 ! ! D60 D(1,6,15,20) -71.9759 -DE/DX = 0.0 ! ! D61 D(1,6,15,21) 173.0792 -DE/DX = 0.0 ! ! D62 D(5,6,15,16) -64.9014 -DE/DX = 0.0 ! ! D63 D(5,6,15,20) 166.5996 -DE/DX = 0.0 ! ! D64 D(5,6,15,21) 51.6546 -DE/DX = 0.0 ! ! D65 D(12,6,15,16) 178.4051 -DE/DX = 0.0 ! ! D66 D(12,6,15,20) 49.906 -DE/DX = 0.0 ! ! D67 D(12,6,15,21) -65.0389 -DE/DX = 0.0 ! ! D68 D(4,10,19,11) -26.0369 -DE/DX = 0.0 ! ! D69 D(4,10,19,17) 72.6378 -DE/DX = 0.0 ! ! D70 D(5,11,19,10) 26.0367 -DE/DX = 0.0 ! ! D71 D(5,11,19,17) -72.638 -DE/DX = 0.0 ! ! D72 D(6,15,16,3) 0.0 -DE/DX = 0.0 ! ! D73 D(6,15,16,18) -101.172 -DE/DX = 0.0 ! ! D74 D(6,15,16,22) 115.1506 -DE/DX = 0.0 ! ! D75 D(20,15,16,3) 101.1719 -DE/DX = 0.0 ! ! D76 D(20,15,16,18) -0.0002 -DE/DX = 0.0 ! ! D77 D(20,15,16,22) -143.6775 -DE/DX = 0.0 ! ! D78 D(21,15,16,3) -115.1506 -DE/DX = 0.0 ! ! D79 D(21,15,16,18) 143.6774 -DE/DX = 0.0 ! ! D80 D(21,15,16,22) 0.0 -DE/DX = 0.0 ! ! D81 D(6,15,21,17) -109.4352 -DE/DX = 0.0 ! ! D82 D(16,15,21,17) 5.668 -DE/DX = 0.0 ! ! D83 D(20,15,21,17) 154.4578 -DE/DX = 0.0 ! ! D84 D(3,16,22,17) 109.4353 -DE/DX = 0.0 ! ! D85 D(15,16,22,17) -5.6681 -DE/DX = 0.0 ! ! D86 D(18,16,22,17) -154.4577 -DE/DX = 0.0 ! ! D87 D(21,17,19,10) -90.3245 -DE/DX = 0.0 ! ! D88 D(21,17,19,11) -27.6348 -DE/DX = 0.0 ! ! D89 D(22,17,19,10) 27.6347 -DE/DX = 0.0 ! ! D90 D(22,17,19,11) 90.3245 -DE/DX = 0.0 ! ! D91 D(23,17,19,10) 148.6551 -DE/DX = 0.0 ! ! D92 D(23,17,19,11) -148.6551 -DE/DX = 0.0 ! ! D93 D(19,17,21,15) 110.4205 -DE/DX = 0.0 ! ! D94 D(22,17,21,15) -9.0751 -DE/DX = 0.0 ! ! D95 D(23,17,21,15) -128.395 -DE/DX = 0.0 ! ! D96 D(19,17,22,16) -110.4204 -DE/DX = 0.0 ! ! D97 D(21,17,22,16) 9.0751 -DE/DX = 0.0 ! ! D98 D(23,17,22,16) 128.3951 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.109609 0.703774 -0.726825 2 6 0 2.109576 -0.703983 -0.726707 3 6 0 1.193999 -1.364542 0.078302 4 6 0 0.792352 -0.778985 1.416733 5 6 0 0.792387 0.779197 1.416602 6 6 0 1.194064 1.364511 0.078074 7 1 0 2.649217 1.244203 -1.502166 8 1 0 2.649159 -1.244567 -1.501958 9 1 0 1.088564 -2.444714 -0.012169 10 1 0 -0.181039 -1.183396 1.715374 11 1 0 -0.180987 1.183703 1.715172 12 1 0 1.088678 2.444673 -0.012579 13 1 0 1.507642 1.142065 2.167795 14 1 0 1.507594 -1.141758 2.167984 15 6 0 -0.758527 0.694549 -0.971056 16 6 0 -0.758556 -0.694672 -0.970938 17 6 0 -2.404076 0.000091 0.418711 18 1 0 -0.506274 -1.344752 -1.792071 19 1 0 -2.199761 0.000178 1.498214 20 1 0 -0.506215 1.344481 -1.792297 21 8 0 -1.815904 1.147951 -0.185845 22 8 0 -1.815953 -1.147896 -0.185652 23 1 0 -3.487505 0.000099 0.240458 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.407757 0.000000 3 C 2.400938 1.386600 0.000000 4 C 2.920373 2.516951 1.515121 0.000000 5 C 2.516951 2.920374 2.558897 1.558182 0.000000 6 C 1.386600 2.400938 2.729053 2.558897 1.515121 7 H 1.088299 2.165174 3.379511 4.007644 3.490453 8 H 2.165174 1.088299 2.151536 3.490452 4.007645 9 H 3.386184 2.140835 1.089070 2.214533 3.538744 10 H 3.843542 3.382383 2.145587 1.095548 2.211017 11 H 3.382382 3.843541 3.326180 2.211017 1.095548 12 H 2.140835 3.386184 3.811754 3.538745 2.214533 13 H 2.988861 3.485450 3.278327 2.183155 1.098888 14 H 3.485446 2.988857 2.124793 1.098888 2.183155 15 C 2.878530 3.200252 3.025453 3.205942 2.848404 16 C 3.200252 2.878527 2.315621 2.848403 3.205942 17 C 4.709647 4.709646 3.863191 3.438046 3.438047 18 H 3.489134 2.896249 2.527769 3.507556 4.061190 19 H 4.900665 4.900663 3.923801 3.092971 3.092972 20 H 2.896251 3.489133 3.705223 4.061189 3.507555 21 O 3.987431 4.373966 3.929619 3.617228 3.083342 22 O 4.373967 3.987427 3.029260 3.083340 3.617228 23 H 5.723503 5.723500 4.879039 4.506415 4.506416 6 7 8 9 10 6 C 0.000000 7 H 2.151536 0.000000 8 H 3.379511 2.488770 0.000000 9 H 3.811754 4.273622 2.468862 0.000000 10 H 3.326182 4.925054 4.285439 2.487412 0.000000 11 H 2.145587 4.285438 4.925053 4.214365 2.367099 12 H 1.089070 2.468862 4.273622 4.889387 4.214367 13 H 2.124793 3.844768 4.523954 4.218158 2.909312 14 H 3.278324 4.523950 3.844765 2.574169 1.748734 15 C 2.315628 3.492409 3.956558 3.766455 3.328224 16 C 3.025456 3.956559 3.492405 2.719142 2.790815 17 C 3.863197 5.547375 5.547372 4.285004 2.832644 18 H 3.705226 4.091927 3.170325 2.630870 3.526186 19 H 3.923805 5.836306 5.836304 4.367131 2.350158 20 H 2.527773 3.170329 4.091926 4.479975 4.335857 21 O 3.029267 4.656101 5.233840 4.623130 3.423828 22 O 3.929624 5.233841 4.656096 3.185600 2.507609 23 H 4.879045 6.499531 6.499527 5.194356 3.809037 11 12 13 14 15 11 H 0.000000 12 H 2.487412 0.000000 13 H 1.748734 2.574170 0.000000 14 H 2.909315 4.218156 2.283823 0.000000 15 C 2.790814 2.719150 3.897201 4.284962 0.000000 16 C 3.328222 3.766459 4.284962 3.897198 1.389221 17 C 2.832644 4.285012 4.434517 4.434517 2.263086 18 H 4.335856 4.479979 5.091234 4.447349 2.212792 19 H 2.350160 4.367137 3.936633 3.936634 2.942210 20 H 3.526182 2.630874 4.447350 5.091232 1.077270 21 O 2.507608 3.185609 4.072544 4.672143 1.392901 22 O 3.423828 4.623136 4.672143 4.072543 2.264865 23 H 3.809037 5.194365 5.474506 5.474506 3.065510 16 17 18 19 20 16 C 0.000000 17 C 2.263086 0.000000 18 H 1.077270 3.209021 0.000000 19 H 2.942210 1.098668 3.937348 0.000000 20 H 2.212793 3.209022 2.689234 3.937348 0.000000 21 O 2.264865 1.424436 3.241707 2.073833 2.081969 22 O 1.392902 1.424436 2.081969 2.073833 3.241707 23 H 3.065510 1.097995 3.850654 1.800066 3.850655 21 22 23 21 O 0.000000 22 O 2.295847 0.000000 23 H 2.072088 2.072088 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109604 -0.703815 -0.726791 2 6 0 -2.109601 0.703941 -0.726673 3 6 0 -1.194038 1.364520 0.078337 4 6 0 -0.792378 0.778972 1.416768 5 6 0 -0.792380 -0.779211 1.416637 6 6 0 -1.194045 -1.364533 0.078109 7 1 0 -2.649201 -1.244256 -1.502132 8 1 0 -2.649196 1.244514 -1.501923 9 1 0 -1.088626 2.444694 -0.012134 10 1 0 0.181004 1.183404 1.715409 11 1 0 0.181002 -1.183695 1.715206 12 1 0 -1.088636 -2.444692 -0.012545 13 1 0 -1.507628 -1.142093 2.167829 14 1 0 -1.507628 1.141730 2.168019 15 6 0 0.758532 -0.694530 -0.971021 16 6 0 0.758531 0.694692 -0.970904 17 6 0 2.404066 -0.000036 0.418746 18 1 0 0.506236 1.344767 -1.792037 19 1 0 2.199751 -0.000127 1.498249 20 1 0 0.506234 -1.344467 -1.792262 21 8 0 1.815918 -1.147909 -0.185811 22 8 0 1.815919 1.147938 -0.185617 23 1 0 3.487495 -0.000021 0.240492 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127349 0.9486815 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12246 0.12316 0.13517 0.14424 0.14525 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17764 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22888 0.23611 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50830 0.52316 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79574 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84210 0.85443 0.86451 0.88060 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93716 Alpha virt. eigenvalues -- 0.94030 0.95123 1.00793 1.01440 1.02295 Alpha virt. eigenvalues -- 1.02724 1.09208 1.09920 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20406 1.25129 1.26438 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39832 1.42703 1.43216 Alpha virt. eigenvalues -- 1.43859 1.47573 1.49204 1.52643 1.58531 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75844 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86000 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93561 1.95824 1.97652 1.97837 Alpha virt. eigenvalues -- 1.98100 2.00053 2.01936 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12023 2.14082 2.16018 2.23013 2.25487 Alpha virt. eigenvalues -- 2.26202 2.27992 2.29193 2.30960 2.31855 Alpha virt. eigenvalues -- 2.37116 2.40151 2.43435 2.44808 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52224 2.54538 2.59889 2.62741 Alpha virt. eigenvalues -- 2.64517 2.67568 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76591 2.80389 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00621 4.10575 4.12767 Alpha virt. eigenvalues -- 4.25203 4.26809 4.36206 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64965 4.87449 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S 0.00002 0.00001 -0.00002 -0.00008 0.00004 2 2S 0.00010 0.00006 -0.00007 -0.00010 0.00006 3 2PX 0.00001 0.00000 -0.00002 -0.00007 0.00005 4 2PY -0.00001 0.00001 -0.00005 -0.00001 0.00000 5 2PZ -0.00001 -0.00002 0.00001 0.00003 0.00001 6 3S -0.00108 -0.00046 0.00019 0.00041 0.00110 7 3PX -0.00043 -0.00017 0.00024 -0.00002 0.00054 8 3PY -0.00024 0.00012 0.00025 -0.00017 0.00035 9 3PZ -0.00028 -0.00005 0.00019 -0.00007 0.00056 10 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 11 4YY 0.00002 0.00002 -0.00003 -0.00006 0.00005 12 4ZZ 0.00003 0.00003 -0.00003 -0.00007 0.00004 13 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 14 4XZ -0.00002 -0.00002 0.00002 0.00000 -0.00001 15 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 16 2 C 1S -0.00002 0.00001 -0.00002 -0.00008 -0.00004 17 2S -0.00009 0.00006 -0.00007 -0.00010 -0.00006 18 2PX -0.00001 0.00000 -0.00002 -0.00007 -0.00005 19 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 20 2PZ 0.00001 -0.00002 0.00001 0.00003 -0.00001 21 3S 0.00104 -0.00053 0.00019 0.00041 -0.00110 22 3PX 0.00042 -0.00020 0.00024 -0.00002 -0.00054 23 3PY -0.00025 -0.00010 -0.00025 0.00017 0.00035 24 3PZ 0.00027 -0.00007 0.00019 -0.00007 -0.00056 25 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 26 4YY -0.00001 0.00002 -0.00003 -0.00006 -0.00005 27 4ZZ -0.00003 0.00003 -0.00003 -0.00007 -0.00004 28 4XY 0.00000 -0.00001 -0.00001 0.00002 0.00001 29 4XZ 0.00002 -0.00002 0.00002 0.00000 0.00001 30 4YZ 0.00001 0.00000 0.00000 0.00006 0.00006 31 3 C 1S 0.00002 -0.00001 0.00004 -0.00011 -0.00022 32 2S 0.00013 -0.00008 0.00012 -0.00041 -0.00085 33 2PX 0.00000 0.00002 0.00003 -0.00010 -0.00008 34 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 35 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 36 3S -0.00103 0.00051 -0.00079 0.00148 0.00369 37 3PX -0.00002 -0.00013 -0.00019 0.00090 0.00076 38 3PY 0.00046 -0.00016 0.00067 -0.00037 -0.00137 39 3PZ -0.00002 -0.00023 -0.00037 0.00000 -0.00002 40 4XX -0.00002 0.00002 0.00004 -0.00005 -0.00013 41 4YY 0.00001 -0.00001 0.00004 -0.00020 -0.00028 42 4ZZ 0.00002 0.00000 0.00003 -0.00013 -0.00020 43 4XY -0.00001 0.00002 0.00002 -0.00007 -0.00010 44 4XZ -0.00002 0.00000 -0.00003 -0.00009 -0.00012 45 4YZ 0.00001 0.00001 0.00002 0.00003 0.00005 46 4 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 47 2S -0.00003 -0.00005 -0.00005 -0.00012 -0.00029 48 2PX -0.00003 0.00000 -0.00006 -0.00013 -0.00015 49 2PY 0.00001 0.00001 0.00004 0.00004 -0.00001 50 2PZ 0.00003 -0.00002 0.00000 0.00020 0.00028 51 3S 0.00038 0.00032 0.00051 -0.00023 0.00029 52 3PX -0.00004 0.00012 0.00002 0.00054 0.00141 53 3PY -0.00018 0.00009 0.00001 -0.00019 -0.00084 54 3PZ -0.00045 0.00010 -0.00041 -0.00027 -0.00056 55 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 56 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 57 4ZZ 0.00000 -0.00003 0.00002 -0.00011 -0.00016 58 4XY 0.00000 0.00000 0.00002 0.00001 -0.00005 59 4XZ 0.00003 -0.00001 0.00003 0.00001 0.00003 60 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 61 5 C 1S 0.00001 -0.00001 -0.00002 -0.00010 0.00014 62 2S 0.00002 -0.00005 -0.00005 -0.00012 0.00029 63 2PX 0.00003 0.00000 -0.00006 -0.00013 0.00015 64 2PY 0.00001 -0.00001 -0.00004 -0.00004 -0.00001 65 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 66 3S -0.00036 0.00034 0.00051 -0.00023 -0.00029 67 3PX 0.00004 0.00011 0.00002 0.00054 -0.00141 68 3PY -0.00019 -0.00007 -0.00001 0.00019 -0.00084 69 3PZ 0.00045 0.00007 -0.00041 -0.00027 0.00056 70 4XX 0.00003 0.00000 -0.00003 -0.00006 0.00011 71 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 72 4ZZ -0.00001 -0.00003 0.00002 -0.00011 0.00016 73 4XY 0.00000 0.00000 -0.00002 -0.00001 -0.00005 74 4XZ -0.00003 -0.00001 0.00003 0.00001 -0.00003 75 4YZ 0.00001 0.00000 0.00001 0.00004 0.00003 76 6 C 1S -0.00002 -0.00001 0.00004 -0.00011 0.00022 77 2S -0.00013 -0.00007 0.00012 -0.00041 0.00085 78 2PX 0.00000 0.00002 0.00003 -0.00010 0.00008 79 2PY 0.00000 0.00000 0.00006 -0.00008 0.00015 80 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 81 3S 0.00106 0.00044 -0.00079 0.00148 -0.00369 82 3PX 0.00001 -0.00013 -0.00019 0.00090 -0.00076 83 3PY 0.00047 0.00013 -0.00067 0.00037 -0.00137 84 3PZ 0.00001 -0.00024 -0.00037 0.00000 0.00002 85 4XX 0.00002 0.00002 0.00004 -0.00005 0.00013 86 4YY -0.00001 -0.00001 0.00004 -0.00020 0.00028 87 4ZZ -0.00002 0.00000 0.00003 -0.00013 0.00020 88 4XY -0.00001 -0.00001 -0.00002 0.00007 -0.00010 89 4XZ 0.00002 0.00000 -0.00003 -0.00009 0.00012 90 4YZ 0.00001 -0.00001 -0.00002 -0.00003 0.00005 91 7 H 1S 0.00000 0.00002 0.00003 0.00001 0.00002 92 2S -0.00010 0.00002 0.00012 -0.00020 0.00028 93 8 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 94 2S 0.00010 0.00001 0.00012 -0.00020 -0.00028 95 9 H 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00005 96 2S -0.00010 0.00003 -0.00025 -0.00007 0.00001 97 10 H 1S -0.00009 0.00004 -0.00007 -0.00004 -0.00018 98 2S 0.00030 -0.00033 0.00010 -0.00027 -0.00023 99 11 H 1S 0.00009 0.00004 -0.00007 -0.00004 0.00018 100 2S -0.00032 -0.00031 0.00010 -0.00027 0.00023 101 12 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 102 2S 0.00010 0.00002 -0.00025 -0.00007 -0.00001 103 13 H 1S -0.00002 -0.00002 0.00001 0.00005 -0.00013 104 2S -0.00012 -0.00003 0.00012 0.00049 -0.00082 105 14 H 1S 0.00002 -0.00002 0.00001 0.00005 0.00013 106 2S 0.00012 -0.00004 0.00012 0.00049 0.00082 107 15 C 1S 0.00001 0.00000 -0.00012 0.70207 -0.70234 108 2S 0.00018 0.00025 -0.00038 0.03460 -0.03560 109 2PX 0.00022 0.00015 0.00006 0.00041 -0.00036 110 2PY -0.00010 -0.00012 -0.00014 -0.00024 -0.00010 111 2PZ 0.00017 0.00012 0.00002 0.00060 -0.00067 112 3S -0.00182 -0.00133 0.00089 -0.00716 0.01899 113 3PX -0.00102 -0.00042 0.00066 0.00005 0.00024 114 3PY 0.00043 0.00048 0.00057 0.00047 0.00480 115 3PZ -0.00093 -0.00028 0.00080 -0.00080 0.00264 116 4XX 0.00011 0.00005 0.00007 -0.00639 0.00611 117 4YY 0.00015 -0.00001 -0.00003 -0.00645 0.00589 118 4ZZ 0.00006 0.00001 -0.00003 -0.00635 0.00604 119 4XY -0.00004 -0.00007 0.00004 -0.00009 -0.00002 120 4XZ 0.00006 0.00004 0.00018 0.00019 -0.00019 121 4YZ -0.00003 -0.00007 0.00000 0.00007 -0.00001 122 16 C 1S -0.00001 0.00000 -0.00012 0.70200 0.70241 123 2S -0.00016 0.00026 -0.00038 0.03460 0.03561 124 2PX -0.00021 0.00016 0.00006 0.00041 0.00036 125 2PY -0.00009 0.00012 0.00014 0.00024 -0.00010 126 2PZ -0.00016 0.00013 0.00002 0.00060 0.00067 127 3S 0.00173 -0.00145 0.00089 -0.00716 -0.01899 128 3PX 0.00099 -0.00049 0.00066 0.00005 -0.00024 129 3PY 0.00040 -0.00051 -0.00057 -0.00047 0.00480 130 3PZ 0.00090 -0.00034 0.00080 -0.00080 -0.00264 131 4XX -0.00011 0.00006 0.00007 -0.00639 -0.00611 132 4YY -0.00015 0.00000 -0.00003 -0.00645 -0.00590 133 4ZZ -0.00006 0.00002 -0.00003 -0.00635 -0.00604 134 4XY -0.00004 0.00007 -0.00004 0.00009 -0.00002 135 4XZ -0.00006 0.00004 0.00018 0.00019 0.00019 136 4YZ -0.00003 0.00007 0.00000 -0.00007 -0.00001 137 17 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 138 2S 0.00001 0.00035 0.04864 -0.00058 0.00000 139 2PX -0.00001 -0.00016 -0.00077 -0.00008 0.00000 140 2PY -0.00042 0.00001 0.00000 0.00000 -0.00008 141 2PZ -0.00001 -0.00021 -0.00067 -0.00010 0.00000 142 3S -0.00010 -0.00286 -0.01350 0.00274 0.00000 143 3PX 0.00001 0.00043 0.00060 -0.00136 0.00000 144 3PY 0.00114 -0.00004 0.00000 0.00000 -0.00025 145 3PZ 0.00002 0.00058 -0.00001 -0.00099 0.00000 146 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 147 4YY 0.00001 0.00039 -0.00875 0.00003 0.00000 148 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 149 4XY 0.00013 0.00000 0.00000 0.00000 -0.00002 150 4XZ 0.00000 0.00009 0.00006 0.00025 0.00000 151 4YZ 0.00017 -0.00001 0.00000 0.00000 -0.00003 152 18 H 1S -0.00003 0.00011 0.00006 -0.00026 -0.00012 153 2S 0.00006 0.00010 0.00039 0.00139 0.00070 154 19 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 155 2S 0.00001 0.00017 0.00276 -0.00005 0.00000 156 20 H 1S 0.00004 0.00011 0.00006 -0.00026 0.00012 157 2S -0.00005 0.00011 0.00039 0.00139 -0.00070 158 21 O 1S 0.72493 0.67819 -0.00007 -0.00003 0.00014 159 2S 0.01875 0.01763 0.00001 0.00009 0.00035 160 2PX -0.00019 -0.00018 -0.00009 0.00008 -0.00006 161 2PY 0.00066 0.00059 0.00000 0.00004 0.00003 162 2PZ -0.00008 -0.00005 -0.00006 0.00006 -0.00002 163 3S 0.00977 0.00888 0.00114 0.00000 -0.00351 164 3PX -0.00033 -0.00016 0.00053 -0.00028 0.00045 165 3PY 0.00021 0.00033 -0.00039 -0.00072 -0.00031 166 3PZ -0.00011 -0.00010 0.00039 -0.00014 -0.00008 167 4XX -0.00602 -0.00560 -0.00010 -0.00015 0.00038 168 4YY -0.00604 -0.00570 -0.00050 -0.00004 0.00038 169 4ZZ -0.00602 -0.00561 -0.00002 -0.00008 0.00034 170 4XY -0.00001 0.00000 -0.00016 0.00009 -0.00017 171 4XZ -0.00002 -0.00004 -0.00020 -0.00032 0.00037 172 4YZ -0.00001 -0.00001 -0.00020 0.00004 -0.00013 173 22 O 1S -0.67818 0.72493 -0.00007 -0.00003 -0.00014 174 2S -0.01753 0.01884 0.00001 0.00009 -0.00035 175 2PX 0.00018 -0.00019 -0.00009 0.00008 0.00006 176 2PY 0.00062 -0.00063 0.00000 -0.00004 0.00003 177 2PZ 0.00008 -0.00006 -0.00006 0.00006 0.00002 178 3S -0.00916 0.00951 0.00114 0.00000 0.00351 179 3PX 0.00032 -0.00019 0.00053 -0.00028 -0.00045 180 3PY 0.00019 -0.00034 0.00039 0.00072 -0.00031 181 3PZ 0.00010 -0.00011 0.00039 -0.00014 0.00008 182 4XX 0.00563 -0.00599 -0.00010 -0.00015 -0.00038 183 4YY 0.00564 -0.00609 -0.00050 -0.00004 -0.00038 184 4ZZ 0.00563 -0.00599 -0.00002 -0.00008 -0.00034 185 4XY -0.00001 0.00000 0.00016 -0.00009 -0.00017 186 4XZ 0.00001 -0.00004 -0.00020 -0.00032 -0.00037 187 4YZ -0.00001 0.00001 0.00020 -0.00004 -0.00013 188 23 H 1S 0.00001 0.00018 -0.00018 -0.00007 0.00000 189 2S 0.00000 0.00013 0.00240 0.00015 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 1 1 C 1S 0.01178 0.01209 -0.00068 0.00056 0.70188 2 2S 0.00009 0.00020 -0.00022 0.00022 0.03486 3 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 4 2PY 0.00015 0.00006 -0.00007 -0.00004 -0.00014 5 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 6 3S 0.01074 0.00324 0.00052 -0.00042 -0.00763 7 3PX 0.00402 0.00118 0.00034 -0.00050 -0.00092 8 3PY 0.00107 -0.00043 -0.00003 0.00006 0.00067 9 3PZ 0.00431 0.00109 0.00032 -0.00030 -0.00042 10 4XX -0.00022 -0.00023 -0.00007 0.00004 -0.00672 11 4YY -0.00030 -0.00021 -0.00002 0.00003 -0.00677 12 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00665 13 4XY 0.00010 0.00013 -0.00007 0.00002 0.00000 14 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 15 4YZ 0.00009 0.00009 0.00000 -0.00005 0.00001 16 2 C 1S -0.01175 0.01211 -0.00068 -0.00056 0.70171 17 2S -0.00009 0.00020 -0.00022 -0.00022 0.03485 18 2PX 0.00000 -0.00013 -0.00005 -0.00008 0.00024 19 2PY 0.00015 -0.00006 0.00007 -0.00004 0.00014 20 2PZ 0.00013 -0.00016 -0.00011 -0.00007 -0.00002 21 3S -0.01073 0.00326 0.00052 0.00042 -0.00762 22 3PX -0.00402 0.00119 0.00034 0.00050 -0.00092 23 3PY 0.00107 0.00043 0.00003 0.00006 -0.00067 24 3PZ -0.00431 0.00110 0.00032 0.00030 -0.00042 25 4XX 0.00022 -0.00023 -0.00007 -0.00004 -0.00671 26 4YY 0.00030 -0.00021 -0.00002 -0.00003 -0.00677 27 4ZZ 0.00025 -0.00026 -0.00004 -0.00003 -0.00665 28 4XY 0.00010 -0.00013 0.00007 0.00002 0.00000 29 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 30 4YZ 0.00009 -0.00009 0.00000 -0.00005 -0.00001 31 3 C 1S -0.70138 0.70274 -0.01399 -0.01383 -0.01235 32 2S -0.03645 0.03519 -0.00083 -0.00073 -0.00083 33 2PX -0.00031 0.00011 -0.00001 0.00004 0.00019 34 2PY 0.00052 -0.00011 0.00005 -0.00002 0.00009 35 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 36 3S 0.02206 -0.01256 0.00286 0.00391 0.00250 37 3PX -0.00038 -0.00019 0.00061 0.00047 -0.00092 38 3PY -0.00666 0.00113 -0.00038 -0.00097 -0.00061 39 3PZ 0.00040 -0.00005 0.00168 0.00178 -0.00083 40 4XX 0.00596 -0.00641 -0.00001 0.00007 -0.00002 41 4YY 0.00585 -0.00622 0.00008 0.00004 0.00009 42 4ZZ 0.00600 -0.00634 -0.00013 -0.00010 0.00000 43 4XY -0.00004 0.00010 0.00003 0.00007 -0.00003 44 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 45 4YZ -0.00003 0.00003 0.00006 0.00003 -0.00001 46 4 C 1S -0.01367 0.01386 0.70191 0.70230 0.00037 47 2S -0.00034 0.00051 0.03529 0.03603 -0.00015 48 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 49 2PY 0.00007 -0.00001 0.00003 -0.00003 0.00004 50 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 51 3S -0.00754 0.00278 -0.01068 -0.01973 0.00034 52 3PX 0.00213 -0.00039 -0.00002 0.00000 -0.00037 53 3PY 0.00037 0.00041 -0.00121 0.00268 0.00002 54 3PZ 0.00302 -0.00128 0.00086 0.00192 -0.00019 55 4XX 0.00016 -0.00023 -0.00627 -0.00601 -0.00007 56 4YY 0.00021 -0.00025 -0.00664 -0.00597 -0.00005 57 4ZZ 0.00019 -0.00033 -0.00637 -0.00611 0.00000 58 4XY -0.00005 0.00003 0.00000 0.00000 -0.00001 59 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 60 4YZ -0.00015 0.00017 0.00006 -0.00005 -0.00002 61 5 C 1S 0.01370 0.01383 0.70205 -0.70216 0.00037 62 2S 0.00034 0.00050 0.03530 -0.03602 -0.00015 63 2PX 0.00010 0.00004 0.00001 -0.00002 0.00010 64 2PY 0.00007 0.00001 -0.00003 -0.00003 -0.00004 65 2PZ -0.00022 0.00005 -0.00014 0.00020 0.00004 66 3S 0.00755 0.00277 -0.01068 0.01973 0.00034 67 3PX -0.00213 -0.00038 -0.00002 0.00000 -0.00037 68 3PY 0.00037 -0.00041 0.00121 0.00268 -0.00002 69 3PZ -0.00303 -0.00127 0.00086 -0.00192 -0.00019 70 4XX -0.00016 -0.00023 -0.00628 0.00601 -0.00007 71 4YY -0.00021 -0.00025 -0.00664 0.00597 -0.00005 72 4ZZ -0.00019 -0.00033 -0.00637 0.00611 0.00000 73 4XY -0.00005 -0.00003 0.00000 0.00000 0.00001 74 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 75 4YZ -0.00015 -0.00017 -0.00006 -0.00005 0.00002 76 6 C 1S 0.70305 0.70107 -0.01400 0.01383 -0.01235 77 2S 0.03654 0.03510 -0.00083 0.00073 -0.00083 78 2PX 0.00031 0.00011 -0.00001 -0.00004 0.00019 79 2PY 0.00052 0.00011 -0.00005 -0.00002 -0.00009 80 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 81 3S -0.02209 -0.01251 0.00286 -0.00391 0.00250 82 3PX 0.00038 -0.00019 0.00061 -0.00047 -0.00092 83 3PY -0.00666 -0.00111 0.00038 -0.00097 0.00061 84 3PZ -0.00041 -0.00005 0.00168 -0.00178 -0.00083 85 4XX -0.00597 -0.00640 -0.00001 -0.00007 -0.00002 86 4YY -0.00586 -0.00620 0.00008 -0.00004 0.00009 87 4ZZ -0.00601 -0.00633 -0.00013 0.00010 0.00000 88 4XY -0.00004 -0.00010 -0.00003 0.00007 0.00003 89 4XZ 0.00004 0.00016 -0.00004 0.00002 -0.00008 90 4YZ -0.00003 -0.00003 -0.00006 0.00003 0.00001 91 7 H 1S 0.00007 -0.00007 0.00001 -0.00001 -0.00031 92 2S 0.00114 0.00030 0.00026 -0.00024 0.00135 93 8 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 94 2S -0.00114 0.00030 0.00026 0.00024 0.00135 95 9 H 1S 0.00021 -0.00012 -0.00011 -0.00006 -0.00004 96 2S -0.00025 0.00169 -0.00002 -0.00006 0.00009 97 10 H 1S 0.00013 -0.00010 -0.00010 0.00031 0.00001 98 2S -0.00060 0.00010 0.00220 0.00211 0.00030 99 11 H 1S -0.00013 -0.00010 -0.00010 -0.00031 0.00001 100 2S 0.00060 0.00010 0.00220 -0.00211 0.00030 101 12 H 1S -0.00021 -0.00012 -0.00011 0.00006 -0.00004 102 2S 0.00025 0.00169 -0.00002 0.00006 0.00009 103 13 H 1S -0.00039 -0.00012 -0.00009 -0.00020 -0.00005 104 2S -0.00013 0.00014 0.00178 -0.00177 -0.00014 105 14 H 1S 0.00039 -0.00012 -0.00009 0.00020 -0.00005 106 2S 0.00013 0.00014 0.00178 0.00177 -0.00014 107 15 C 1S -0.00019 -0.00010 0.00002 0.00002 0.00002 108 2S -0.00127 -0.00058 -0.00013 0.00039 -0.00005 109 2PX 0.00020 0.00010 0.00004 -0.00004 0.00015 110 2PY 0.00009 -0.00004 -0.00016 -0.00001 0.00000 111 2PZ -0.00006 -0.00003 -0.00015 0.00021 0.00000 112 3S 0.00924 0.00245 0.00024 -0.00368 -0.00014 113 3PX -0.00091 -0.00052 0.00033 -0.00111 -0.00080 114 3PY 0.00197 -0.00058 0.00049 -0.00201 0.00015 115 3PZ 0.00317 0.00066 0.00081 -0.00242 -0.00038 116 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 117 4YY -0.00025 -0.00016 -0.00008 0.00005 -0.00006 118 4ZZ -0.00024 -0.00016 -0.00008 0.00012 -0.00013 119 4XY -0.00005 0.00007 -0.00002 0.00005 0.00006 120 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 121 4YZ 0.00004 -0.00006 -0.00006 -0.00004 0.00006 122 16 C 1S 0.00019 -0.00010 0.00002 -0.00002 0.00002 123 2S 0.00127 -0.00058 -0.00013 -0.00039 -0.00005 124 2PX -0.00020 0.00010 0.00004 0.00004 0.00014 125 2PY 0.00009 0.00004 0.00016 -0.00001 0.00000 126 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 127 3S -0.00924 0.00247 0.00024 0.00368 -0.00014 128 3PX 0.00091 -0.00052 0.00033 0.00111 -0.00080 129 3PY 0.00198 0.00058 -0.00049 -0.00201 -0.00015 130 3PZ -0.00317 0.00067 0.00081 0.00242 -0.00038 131 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 132 4YY 0.00025 -0.00016 -0.00008 -0.00005 -0.00006 133 4ZZ 0.00024 -0.00016 -0.00008 -0.00012 -0.00013 134 4XY -0.00005 -0.00007 0.00002 0.00005 -0.00006 135 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 136 4YZ 0.00004 0.00006 0.00006 -0.00004 -0.00006 137 17 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 138 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 139 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 140 2PY -0.00012 0.00000 0.00000 0.00002 0.00000 141 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 142 3S 0.00000 -0.00087 0.00104 0.00000 0.00030 143 3PX 0.00000 0.00065 -0.00041 0.00000 0.00000 144 3PY 0.00024 0.00000 0.00000 -0.00026 0.00000 145 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 146 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 147 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 148 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 149 4XY 0.00005 0.00000 0.00000 0.00003 0.00000 150 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 151 4YZ -0.00004 0.00000 0.00000 0.00002 0.00000 152 18 H 1S 0.00022 -0.00014 0.00008 0.00014 -0.00011 153 2S -0.00039 -0.00028 0.00057 0.00118 -0.00007 154 19 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 155 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 156 20 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 157 2S 0.00039 -0.00028 0.00057 -0.00118 -0.00007 158 21 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 159 2S 0.00051 0.00014 0.00028 -0.00016 -0.00019 160 2PX -0.00007 -0.00004 -0.00001 -0.00002 0.00000 161 2PY 0.00003 0.00000 0.00002 0.00003 -0.00001 162 2PZ 0.00002 -0.00002 0.00002 0.00001 0.00003 163 3S -0.00308 -0.00074 -0.00149 0.00146 0.00102 164 3PX 0.00131 0.00048 0.00023 -0.00053 -0.00029 165 3PY -0.00048 0.00009 -0.00044 0.00020 0.00015 166 3PZ 0.00022 0.00026 -0.00015 -0.00022 -0.00032 167 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 168 4YY 0.00031 0.00010 0.00011 -0.00007 -0.00011 169 4ZZ 0.00036 0.00013 0.00019 -0.00006 -0.00009 170 4XY 0.00006 0.00001 0.00004 -0.00004 -0.00004 171 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 172 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 173 22 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 174 2S -0.00051 0.00014 0.00028 0.00016 -0.00019 175 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 176 2PY 0.00003 0.00000 -0.00002 0.00003 0.00001 177 2PZ -0.00002 -0.00002 0.00002 -0.00001 0.00003 178 3S 0.00308 -0.00075 -0.00149 -0.00146 0.00102 179 3PX -0.00130 0.00048 0.00023 0.00053 -0.00029 180 3PY -0.00048 -0.00009 0.00044 0.00020 -0.00015 181 3PZ -0.00021 0.00026 -0.00015 0.00022 -0.00032 182 4XX -0.00012 0.00002 0.00016 -0.00001 -0.00008 183 4YY -0.00031 0.00010 0.00011 0.00007 -0.00011 184 4ZZ -0.00036 0.00013 0.00019 0.00006 -0.00009 185 4XY 0.00006 -0.00001 -0.00004 -0.00004 0.00004 186 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00005 187 4YZ 0.00000 0.00001 0.00001 -0.00004 0.00004 188 23 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 189 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 1 1 C 1S -0.70200 -0.00034 0.00002 -0.09538 0.01853 2 2S -0.03557 0.00232 0.00271 0.18221 -0.03475 3 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 4 2PY -0.00029 0.00042 -0.00050 0.02997 -0.00676 5 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 6 3S 0.01698 -0.00444 -0.02195 0.11188 -0.03008 7 3PX 0.00240 -0.00291 -0.00854 0.00063 -0.00202 8 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 9 3PZ 0.00172 -0.00115 -0.00564 -0.00174 -0.00222 10 4XX 0.00646 0.00025 0.00018 -0.00440 0.00179 11 4YY 0.00611 0.00030 0.00009 0.00298 -0.00056 12 4ZZ 0.00637 0.00041 0.00045 -0.00337 0.00066 13 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 14 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 15 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 16 2 C 1S 0.70218 -0.00034 -0.00002 -0.09538 0.01853 17 2S 0.03558 0.00232 -0.00271 0.18221 -0.03475 18 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 19 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00676 20 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00784 21 3S -0.01698 -0.00444 0.02195 0.11188 -0.03008 22 3PX -0.00240 -0.00291 0.00854 0.00063 -0.00202 23 3PY 0.00338 0.00016 -0.01026 -0.00183 0.00013 24 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 25 4XX -0.00646 0.00025 -0.00018 -0.00440 0.00179 26 4YY -0.00611 0.00030 -0.00009 0.00298 -0.00056 27 4ZZ -0.00637 0.00041 -0.00045 -0.00337 0.00066 28 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 29 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 30 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 31 3 C 1S -0.01205 -0.00188 0.00246 -0.09140 0.01322 32 2S -0.00074 0.00225 -0.00017 0.17063 -0.02626 33 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 34 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 35 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 36 3S 0.00446 0.00685 -0.02164 0.13186 -0.01329 37 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 38 3PY -0.00161 -0.00219 0.01160 -0.01392 -0.00134 39 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00606 40 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 41 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 42 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 43 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 44 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 45 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 46 4 C 1S 0.00026 -0.00166 0.00115 -0.08158 0.02466 47 2S -0.00014 0.00239 -0.00198 0.15286 -0.04711 48 2PX 0.00007 0.00108 -0.00111 -0.01409 0.00546 49 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 50 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 51 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 52 3PX -0.00035 0.00161 -0.00280 -0.00242 0.00123 53 3PY -0.00006 -0.00162 0.00171 -0.00282 0.00327 54 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 55 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 56 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 57 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 58 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 59 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 60 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 61 5 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 62 2S 0.00014 0.00239 0.00198 0.15286 -0.04711 63 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 64 2PY -0.00003 -0.00017 -0.00083 0.01819 -0.00662 65 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 66 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 67 3PX 0.00035 0.00161 0.00280 -0.00242 0.00123 68 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 69 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 70 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 71 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 72 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 73 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 74 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 75 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 76 6 C 1S 0.01205 -0.00188 -0.00246 -0.09140 0.01322 77 2S 0.00074 0.00225 0.00017 0.17063 -0.02626 78 2PX -0.00009 0.00154 0.00109 -0.02432 0.01434 79 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 80 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 81 3S -0.00446 0.00685 0.02164 0.13186 -0.01329 82 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 83 3PY -0.00161 0.00219 0.01160 0.01392 0.00134 84 3PZ 0.00061 -0.00034 0.00365 0.00078 -0.00606 85 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 86 4YY 0.00006 -0.00028 -0.00082 0.00086 -0.00027 87 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 88 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 89 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 90 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 91 7 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00829 92 2S -0.00075 -0.00043 -0.00320 0.00181 -0.00145 93 8 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 94 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 95 9 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 96 2S 0.00012 0.00104 -0.00364 0.00635 0.00024 97 10 H 1S 0.00002 0.00209 -0.00254 0.03706 -0.01329 98 2S 0.00032 0.00186 -0.00187 0.00200 -0.00618 99 11 H 1S -0.00002 0.00209 0.00254 0.03706 -0.01329 100 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 101 12 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00454 102 2S -0.00012 0.00104 0.00364 0.00635 0.00024 103 13 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 104 2S 0.00007 0.00121 0.00136 0.00320 -0.00367 105 14 H 1S -0.00005 0.00050 -0.00061 0.03921 -0.01538 106 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 107 15 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 108 2S -0.00003 0.10426 0.08664 0.05206 0.24580 109 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 110 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 111 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00992 112 3S 0.00084 0.03495 -0.00910 0.03217 0.17211 113 3PX 0.00159 -0.00366 -0.01821 -0.00320 -0.00226 114 3PY 0.00011 -0.00021 -0.01692 0.00195 0.01028 115 3PZ 0.00139 -0.00408 -0.02569 -0.00107 -0.00590 116 4XX 0.00012 0.00382 0.00644 -0.00140 -0.00970 117 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 118 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 119 4XY 0.00002 -0.00226 -0.00613 -0.00011 -0.00065 120 4XZ 0.00007 0.01131 0.01155 -0.00055 0.00474 121 4YZ -0.00005 -0.00084 -0.00358 0.00100 0.00231 122 16 C 1S 0.00001 -0.05621 0.04408 -0.02570 -0.12240 123 2S 0.00003 0.10426 -0.08664 0.05206 0.24580 124 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 125 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 126 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 127 3S -0.00084 0.03495 0.00910 0.03217 0.17211 128 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 129 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 130 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 131 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 132 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 133 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 134 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 135 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 136 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 137 17 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 138 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 139 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 140 2PY -0.00002 0.00000 -0.12748 0.00000 0.00000 141 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 142 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 143 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 144 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 145 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 146 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 147 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 148 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 149 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 150 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 151 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 152 18 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06813 153 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 154 19 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 155 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 156 20 H 1S 0.00023 0.01251 0.01447 0.01509 0.06813 157 2S 0.00031 -0.00345 -0.00847 0.00255 0.01258 158 21 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 159 2S 0.00030 0.28412 0.33479 -0.02049 -0.03360 160 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 161 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 162 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 163 3S -0.00183 0.28833 0.35799 -0.02274 -0.03739 164 3PX 0.00052 -0.00924 -0.02342 -0.00987 -0.05543 165 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 166 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 167 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 168 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 169 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 170 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 171 4XZ -0.00005 0.00716 0.00771 0.00022 0.00388 172 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01023 173 22 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 174 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03360 175 2PX 0.00002 -0.02242 0.03040 -0.02008 -0.12266 176 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 177 2PZ 0.00003 -0.00834 0.01426 -0.01174 -0.10844 178 3S 0.00183 0.28832 -0.35799 -0.02274 -0.03739 179 3PX -0.00052 -0.00924 0.02342 -0.00987 -0.05543 180 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 181 3PZ -0.00040 -0.00214 0.01098 -0.00502 -0.04936 182 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 183 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 184 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 185 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 186 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 187 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 188 23 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07733 189 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S 0.10571 0.06442 0.01274 -0.00728 -0.08066 2 2S -0.20538 -0.12809 -0.02553 0.01533 0.16377 3 2PX -0.00705 -0.04458 0.01059 0.00457 0.02124 4 2PY -0.05186 0.07807 -0.00820 -0.00964 -0.10415 5 2PZ 0.01100 -0.03742 -0.00022 -0.00673 -0.00048 6 3S -0.15235 -0.07288 -0.02503 0.00481 0.12772 7 3PX 0.00248 0.00657 0.00269 -0.00316 -0.00806 8 3PY -0.00493 0.02229 -0.00068 -0.00246 -0.03748 9 3PZ 0.00882 0.01008 -0.00274 -0.00497 -0.01708 10 4XX 0.00670 -0.00004 0.00186 0.00029 -0.00146 11 4YY -0.00490 0.00641 -0.00089 -0.00069 -0.00748 12 4ZZ 0.00601 -0.00096 0.00004 -0.00053 -0.00056 13 4XY -0.00085 0.00408 0.00012 -0.00034 -0.00109 14 4XZ -0.00472 -0.00713 -0.00107 0.00002 0.00613 15 4YZ -0.00176 0.00269 -0.00031 0.00080 0.00192 16 2 C 1S 0.10571 -0.06442 0.01274 0.00728 0.08066 17 2S -0.20538 0.12809 -0.02553 -0.01533 -0.16377 18 2PX -0.00705 0.04458 0.01059 -0.00457 -0.02124 19 2PY 0.05185 0.07806 0.00820 -0.00964 -0.10415 20 2PZ 0.01101 0.03743 -0.00022 0.00673 0.00047 21 3S -0.15235 0.07288 -0.02503 -0.00481 -0.12773 22 3PX 0.00248 -0.00657 0.00269 0.00316 0.00806 23 3PY 0.00493 0.02229 0.00068 -0.00246 -0.03748 24 3PZ 0.00882 -0.01008 -0.00274 0.00497 0.01708 25 4XX 0.00670 0.00004 0.00186 -0.00029 0.00146 26 4YY -0.00490 -0.00641 -0.00089 0.00069 0.00748 27 4ZZ 0.00601 0.00096 0.00004 0.00053 0.00057 28 4XY 0.00085 0.00408 -0.00012 -0.00034 -0.00109 29 4XZ -0.00472 0.00713 -0.00107 -0.00002 -0.00613 30 4YZ 0.00176 0.00269 0.00031 0.00080 0.00192 31 3 C 1S 0.00744 -0.12444 -0.00049 -0.00481 0.02264 32 2S -0.01414 0.24080 0.00018 0.01120 -0.04691 33 2PX 0.05828 -0.02710 0.01393 -0.00121 0.09492 34 2PY 0.01149 -0.00554 -0.00031 -0.00307 0.00527 35 2PZ 0.09022 0.00672 -0.00711 0.04280 0.13780 36 3S -0.01427 0.21043 0.00800 0.00041 -0.04358 37 3PX 0.00996 -0.00285 -0.00010 -0.00201 0.02376 38 3PY 0.00625 -0.00250 -0.00511 0.00312 -0.00098 39 3PZ 0.01542 -0.00011 -0.00379 0.01692 0.03504 40 4XX -0.00218 -0.00700 -0.00029 -0.00204 -0.00229 41 4YY -0.00061 -0.00073 0.00012 0.00009 -0.00081 42 4ZZ 0.00531 -0.00138 -0.00010 0.00213 0.00682 43 4XY -0.00503 0.00333 -0.00124 -0.00048 -0.00396 44 4XZ -0.00163 0.00666 -0.00099 0.00147 -0.00268 45 4YZ -0.00739 -0.00133 0.00059 -0.00148 -0.00523 46 4 C 1S -0.11130 -0.06711 0.00649 -0.03434 -0.09318 47 2S 0.21419 0.13009 -0.01234 0.06897 0.18930 48 2PX 0.00844 -0.01551 0.00763 -0.00344 0.01269 49 2PY -0.03641 0.06530 0.00104 0.03478 0.09507 50 2PZ 0.01721 -0.04147 -0.00619 0.00551 0.02003 51 3S 0.18757 0.10778 -0.01228 0.06573 0.17955 52 3PX 0.00519 -0.00524 0.00451 0.00040 0.00931 53 3PY -0.00547 0.01783 -0.00001 0.00861 0.03889 54 3PZ 0.00638 -0.00269 -0.00014 0.00279 0.01636 55 4XX -0.00074 0.00076 0.00011 0.00151 0.00477 56 4YY 0.00374 -0.00741 -0.00015 -0.00369 -0.01016 57 4ZZ -0.00473 0.00513 0.00047 0.00010 -0.00048 58 4XY 0.00066 -0.00119 -0.00021 -0.00017 0.00150 59 4XZ -0.00196 0.00236 -0.00017 -0.00002 -0.00246 60 4YZ 0.00143 -0.00346 0.00009 0.00087 0.00254 61 5 C 1S -0.11130 0.06711 0.00649 0.03434 0.09318 62 2S 0.21419 -0.13010 -0.01234 -0.06897 -0.18930 63 2PX 0.00844 0.01551 0.00763 0.00344 -0.01269 64 2PY 0.03641 0.06529 -0.00104 0.03478 0.09507 65 2PZ 0.01722 0.04148 -0.00619 -0.00550 -0.02001 66 3S 0.18757 -0.10778 -0.01228 -0.06573 -0.17955 67 3PX 0.00519 0.00524 0.00451 -0.00040 -0.00931 68 3PY 0.00547 0.01783 0.00001 0.00861 0.03889 69 3PZ 0.00638 0.00270 -0.00014 -0.00279 -0.01636 70 4XX -0.00074 -0.00076 0.00011 -0.00151 -0.00477 71 4YY 0.00374 0.00741 -0.00015 0.00369 0.01016 72 4ZZ -0.00473 -0.00513 0.00047 -0.00010 0.00048 73 4XY -0.00066 -0.00119 0.00021 -0.00017 0.00150 74 4XZ -0.00196 -0.00236 -0.00017 0.00002 0.00246 75 4YZ -0.00143 -0.00345 -0.00009 0.00087 0.00255 76 6 C 1S 0.00745 0.12444 -0.00049 0.00481 -0.02265 77 2S -0.01414 -0.24080 0.00018 -0.01120 0.04691 78 2PX 0.05828 0.02710 0.01393 0.00121 -0.09492 79 2PY -0.01150 -0.00554 0.00032 -0.00306 0.00529 80 2PZ 0.09022 -0.00672 -0.00711 -0.04280 -0.13780 81 3S -0.01427 -0.21043 0.00800 -0.00041 0.04358 82 3PX 0.00996 0.00285 -0.00010 0.00201 -0.02376 83 3PY -0.00626 -0.00250 0.00511 0.00313 -0.00098 84 3PZ 0.01542 0.00011 -0.00379 -0.01692 -0.03504 85 4XX -0.00218 0.00700 -0.00029 0.00204 0.00229 86 4YY -0.00061 0.00073 0.00012 -0.00009 0.00081 87 4ZZ 0.00531 0.00138 -0.00010 -0.00213 -0.00682 88 4XY 0.00503 0.00333 0.00124 -0.00048 -0.00396 89 4XZ -0.00163 -0.00666 -0.00099 -0.00147 0.00267 90 4YZ 0.00739 -0.00133 -0.00059 -0.00148 -0.00523 91 7 H 1S -0.06122 -0.03836 -0.01005 0.00877 0.08123 92 2S -0.01269 -0.00262 -0.00389 0.00345 0.02734 93 8 H 1S -0.06122 0.03836 -0.01005 -0.00877 -0.08123 94 2S -0.01269 0.00262 -0.00389 -0.00345 -0.02734 95 9 H 1S -0.00149 0.07839 0.00120 0.00006 -0.01615 96 2S -0.00162 0.01907 0.00015 -0.00331 -0.00473 97 10 H 1S 0.07058 0.04275 -0.00106 0.03080 0.09334 98 2S 0.01290 0.00874 -0.00180 0.01475 0.03179 99 11 H 1S 0.07058 -0.04275 -0.00106 -0.03080 -0.09334 100 2S 0.01290 -0.00874 -0.00180 -0.01475 -0.03179 101 12 H 1S -0.00149 -0.07839 0.00120 -0.00006 0.01615 102 2S -0.00162 -0.01907 0.00015 0.00331 0.00473 103 13 H 1S 0.06842 -0.04374 -0.00807 -0.03306 -0.08667 104 2S 0.01612 -0.00723 -0.00284 -0.01302 -0.03160 105 14 H 1S 0.06842 0.04374 -0.00807 0.03306 0.08667 106 2S 0.01612 0.00723 -0.00284 0.01302 0.03160 107 15 C 1S -0.00475 0.01207 -0.07241 -0.09541 0.02252 108 2S 0.00928 -0.02323 0.14729 0.19676 -0.04504 109 2PX 0.00303 0.01226 -0.08531 0.03099 -0.01198 110 2PY 0.00304 0.01516 0.15595 -0.13078 0.03064 111 2PZ 0.00726 -0.00043 -0.08058 -0.01989 -0.00233 112 3S 0.00867 -0.02695 0.12860 0.18872 -0.05488 113 3PX 0.00050 0.00446 -0.02247 -0.00190 -0.00808 114 3PY -0.00014 -0.00038 0.02897 -0.02718 0.00269 115 3PZ 0.00263 -0.00237 -0.01968 -0.01220 -0.00727 116 4XX -0.00120 0.00037 -0.01419 -0.00289 0.00136 117 4YY 0.00015 0.00102 0.00714 -0.00733 0.00180 118 4ZZ 0.00048 0.00010 -0.00463 0.00003 -0.00049 119 4XY -0.00019 -0.00103 0.00809 -0.00478 0.00178 120 4XZ -0.00033 0.00044 -0.00622 0.00762 -0.00190 121 4YZ 0.00006 -0.00039 0.00772 0.00423 -0.00014 122 16 C 1S -0.00475 -0.01207 -0.07241 0.09541 -0.02252 123 2S 0.00928 0.02323 0.14729 -0.19676 0.04504 124 2PX 0.00303 -0.01226 -0.08531 -0.03099 0.01198 125 2PY -0.00304 0.01516 -0.15593 -0.13078 0.03064 126 2PZ 0.00726 0.00044 -0.08061 0.01987 0.00233 127 3S 0.00867 0.02695 0.12860 -0.18872 0.05488 128 3PX 0.00050 -0.00446 -0.02247 0.00190 0.00808 129 3PY 0.00014 -0.00038 -0.02897 -0.02718 0.00269 130 3PZ 0.00263 0.00237 -0.01968 0.01219 0.00727 131 4XX -0.00120 -0.00037 -0.01419 0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 -0.00003 0.00049 134 4XY 0.00019 -0.00103 -0.00809 -0.00478 0.00178 135 4XZ -0.00033 -0.00044 -0.00622 -0.00762 0.00190 136 4YZ -0.00006 -0.00039 -0.00772 0.00424 -0.00014 137 17 C 1S 0.00912 0.00000 -0.12225 0.00000 0.00000 138 2S -0.01981 0.00000 0.25808 0.00000 0.00000 139 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 140 2PY 0.00000 -0.01880 -0.00001 0.21589 -0.06315 141 2PZ 0.00607 0.00000 0.06779 0.00002 -0.00001 142 3S -0.01503 0.00000 0.24383 0.00000 0.00000 143 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 144 3PY 0.00000 -0.00189 0.00000 0.05677 -0.01521 145 3PZ -0.00182 0.00000 0.02828 0.00000 0.00000 146 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 147 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 148 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 149 4XY 0.00000 0.00129 0.00000 -0.01287 0.00324 150 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 151 4YZ 0.00000 0.00186 0.00000 -0.01406 0.00448 152 18 H 1S -0.00058 0.01420 0.05359 -0.11567 0.02287 153 2S -0.00151 0.00614 0.01636 -0.04773 0.01077 154 19 H 1S -0.00191 0.00000 0.11587 0.00000 0.00000 155 2S 0.00654 0.00000 0.03555 0.00000 0.00000 156 20 H 1S -0.00058 -0.01420 0.05359 0.11567 -0.02287 157 2S -0.00151 -0.00614 0.01636 0.04773 -0.01077 158 21 O 1S 0.00235 -0.00715 0.07106 0.02548 -0.00812 159 2S -0.00547 0.01658 -0.16574 -0.05880 0.01852 160 2PX -0.01378 0.01549 0.07315 -0.18527 0.05832 161 2PY -0.00428 0.00677 0.08875 -0.05653 0.01760 162 2PZ -0.00318 0.00676 0.06654 -0.16880 0.04087 163 3S -0.00824 0.02076 -0.22093 -0.08044 0.03086 164 3PX -0.00676 0.00714 0.02849 -0.08559 0.02719 165 3PY -0.00336 0.00377 0.04835 -0.02424 0.00915 166 3PZ -0.00013 0.00252 0.02633 -0.07957 0.01599 167 4XX 0.00056 -0.00102 -0.00023 0.00599 -0.00168 168 4YY -0.00086 0.00046 0.01009 -0.00336 0.00115 169 4ZZ 0.00012 -0.00029 0.00085 0.00283 -0.00068 170 4XY -0.00114 0.00052 0.00146 -0.00716 0.00216 171 4XZ -0.00032 -0.00003 0.00109 0.00506 -0.00057 172 4YZ -0.00038 0.00035 0.00258 -0.00696 0.00168 173 22 O 1S 0.00235 0.00715 0.07106 -0.02548 0.00812 174 2S -0.00547 -0.01658 -0.16574 0.05880 -0.01852 175 2PX -0.01378 -0.01549 0.07315 0.18527 -0.05832 176 2PY 0.00429 0.00677 -0.08876 -0.05656 0.01761 177 2PZ -0.00318 -0.00676 0.06652 0.16880 -0.04087 178 3S -0.00824 -0.02076 -0.22093 0.08044 -0.03086 179 3PX -0.00676 -0.00714 0.02849 0.08559 -0.02719 180 3PY 0.00336 0.00377 -0.04835 -0.02426 0.00915 181 3PZ -0.00013 -0.00252 0.02632 0.07956 -0.01599 182 4XX 0.00056 0.00102 -0.00023 -0.00599 0.00168 183 4YY -0.00086 -0.00046 0.01009 0.00336 -0.00116 184 4ZZ 0.00012 0.00029 0.00085 -0.00283 0.00068 185 4XY 0.00114 0.00052 -0.00146 -0.00716 0.00216 186 4XZ -0.00032 0.00003 0.00109 -0.00506 0.00057 187 4YZ 0.00038 0.00035 -0.00257 -0.00696 0.00168 188 23 H 1S -0.00772 0.00000 0.11585 0.00000 0.00000 189 2S 0.00021 0.00000 0.03820 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S 0.05700 -0.00370 -0.00457 -0.00524 -0.06954 2 2S -0.11519 0.00603 0.00981 0.00986 0.14349 3 2PX 0.08938 -0.01931 -0.02768 -0.11644 -0.06288 4 2PY -0.13462 0.00267 -0.00744 -0.12251 -0.08211 5 2PZ 0.08849 -0.03279 -0.05976 -0.14406 -0.07088 6 3S -0.10505 0.01671 0.01738 0.01926 0.15380 7 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 8 3PY -0.02907 -0.00142 -0.00400 -0.03502 -0.03358 9 3PZ 0.02889 -0.00949 -0.01936 -0.04669 -0.03177 10 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 11 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 12 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 13 4XY -0.00455 0.00015 0.00020 -0.00210 0.00786 14 4XZ 0.00046 -0.00055 -0.00003 0.00131 0.00555 15 4YZ -0.00466 0.00026 0.00027 -0.00046 0.00926 16 2 C 1S 0.05700 -0.00370 -0.00457 -0.00524 0.06954 17 2S -0.11519 0.00603 0.00981 0.00986 -0.14349 18 2PX 0.08938 -0.01931 -0.02768 -0.11644 0.06288 19 2PY 0.13461 -0.00267 0.00745 0.12254 -0.08212 20 2PZ 0.08851 -0.03279 -0.05976 -0.14404 0.07087 21 3S -0.10505 0.01671 0.01738 0.01926 -0.15380 22 3PX 0.02722 -0.00291 -0.00619 -0.03702 0.02733 23 3PY 0.02907 0.00142 0.00400 0.03503 -0.03358 24 3PZ 0.02889 -0.00949 -0.01936 -0.04668 0.03177 25 4XX 0.00703 -0.00040 0.00076 -0.00090 0.00320 26 4YY -0.00385 0.00038 0.00101 0.00204 0.00904 27 4ZZ 0.00294 -0.00007 -0.00049 0.00342 -0.00280 28 4XY 0.00455 -0.00015 -0.00020 0.00210 0.00786 29 4XZ 0.00046 -0.00055 -0.00003 0.00131 -0.00555 30 4YZ 0.00465 -0.00026 -0.00027 0.00046 0.00926 31 3 C 1S -0.10221 0.01243 0.00592 -0.00758 -0.06160 32 2S 0.20674 -0.02605 -0.01127 0.01797 0.12766 33 2PX 0.00354 0.00928 0.04266 0.01429 0.07387 34 2PY 0.07521 0.01895 0.04311 0.19958 0.11923 35 2PZ -0.00523 -0.00864 -0.02146 -0.01119 0.01967 36 3S 0.19341 -0.02642 -0.01500 0.01836 0.14637 37 3PX 0.00839 0.00956 0.01712 -0.00485 0.03067 38 3PY 0.03143 0.00912 0.02111 0.08102 0.04704 39 3PZ -0.00418 -0.00263 -0.00587 -0.01018 0.00078 40 4XX -0.00818 0.00096 0.00299 -0.00020 -0.00863 41 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 42 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 43 4XY 0.00041 0.00000 -0.00187 -0.00216 -0.00005 44 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 45 4YZ -0.00150 -0.00002 0.00103 -0.00081 -0.00209 46 4 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 47 2S -0.08562 0.01802 -0.01495 0.01014 -0.09134 48 2PX -0.02395 0.00211 0.09665 0.03187 -0.00773 49 2PY 0.07743 -0.00185 0.02339 0.08418 -0.03413 50 2PZ -0.10177 0.03755 0.00528 0.10169 -0.10453 51 3S -0.08413 0.01120 -0.01993 0.02787 -0.12229 52 3PX -0.00901 -0.00468 0.04047 0.01506 -0.00726 53 3PY 0.02420 -0.00042 0.00272 0.03835 -0.00863 54 3PZ -0.03481 0.01451 -0.00661 0.04013 -0.04434 55 4XX -0.00235 0.00083 0.00328 0.00497 -0.00641 56 4YY -0.00228 0.00097 -0.00078 0.00096 0.00754 57 4ZZ 0.00760 -0.00105 -0.00188 -0.00213 0.00294 58 4XY -0.00165 0.00026 0.00069 -0.00075 -0.00126 59 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 60 4YZ -0.00494 0.00010 -0.00095 -0.00328 -0.00987 61 5 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 62 2S -0.08562 0.01802 -0.01495 0.01014 0.09134 63 2PX -0.02395 0.00211 0.09665 0.03187 0.00773 64 2PY -0.07741 0.00184 -0.02339 -0.08420 -0.03415 65 2PZ -0.10178 0.03755 0.00528 0.10168 0.10452 66 3S -0.08413 0.01120 -0.01993 0.02787 0.12229 67 3PX -0.00901 -0.00468 0.04047 0.01506 0.00726 68 3PY -0.02419 0.00042 -0.00272 -0.03836 -0.00864 69 3PZ -0.03482 0.01451 -0.00661 0.04013 0.04434 70 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 71 4YY -0.00228 0.00097 -0.00078 0.00095 -0.00754 72 4ZZ 0.00760 -0.00105 -0.00188 -0.00213 -0.00294 73 4XY 0.00165 -0.00026 -0.00069 0.00075 -0.00126 74 4XZ 0.00378 -0.00097 0.00063 -0.00323 -0.00274 75 4YZ 0.00494 -0.00010 0.00095 0.00328 -0.00987 76 6 C 1S -0.10221 0.01243 0.00592 -0.00758 0.06160 77 2S 0.20674 -0.02605 -0.01127 0.01797 -0.12766 78 2PX 0.00354 0.00928 0.04266 0.01429 -0.07387 79 2PY -0.07521 -0.01895 -0.04311 -0.19958 0.11923 80 2PZ -0.00525 -0.00864 -0.02147 -0.01122 -0.01965 81 3S 0.19341 -0.02642 -0.01500 0.01836 -0.14637 82 3PX 0.00839 0.00956 0.01712 -0.00485 -0.03067 83 3PY -0.03143 -0.00912 -0.02111 -0.08102 0.04704 84 3PZ -0.00419 -0.00263 -0.00588 -0.01019 -0.00077 85 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 86 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 87 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 88 4XY -0.00041 0.00000 0.00187 0.00216 -0.00005 89 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 90 4YZ 0.00150 0.00002 -0.00103 0.00081 -0.00209 91 7 H 1S -0.06454 0.01841 0.03454 0.12050 0.13843 92 2S -0.02740 0.01176 0.02239 0.08522 0.08665 93 8 H 1S -0.06454 0.01841 0.03454 0.12050 -0.13843 94 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 95 9 H 1S 0.11678 0.00021 0.02012 0.11150 0.13178 96 2S 0.05092 0.00380 0.01350 0.06812 0.08344 97 10 H 1S -0.04246 0.01138 0.05538 0.04763 -0.06776 98 2S -0.01761 0.01371 0.05149 0.02203 -0.03710 99 11 H 1S -0.04246 0.01138 0.05538 0.04762 0.06776 100 2S -0.01761 0.01371 0.05149 0.02203 0.03710 101 12 H 1S 0.11678 0.00021 0.02012 0.11150 -0.13178 102 2S 0.05092 0.00380 0.01350 0.06812 -0.08344 103 13 H 1S -0.04640 0.01879 -0.03239 0.04631 0.08454 104 2S -0.02136 0.00974 -0.01511 0.03115 0.05214 105 14 H 1S -0.04640 0.01879 -0.03239 0.04631 -0.08454 106 2S -0.02136 0.00974 -0.01511 0.03115 -0.05214 107 15 C 1S 0.00937 -0.01088 -0.00407 0.00035 0.00588 108 2S -0.02082 0.02184 0.00862 -0.00108 -0.01078 109 2PX -0.02355 -0.04638 -0.05096 0.03424 0.05261 110 2PY -0.04753 -0.19531 -0.06027 0.03875 0.01149 111 2PZ 0.00370 -0.15381 0.06748 -0.01084 0.03788 112 3S -0.00964 0.04435 0.01528 -0.00642 -0.01816 113 3PX -0.00746 -0.00763 -0.02763 0.01432 0.01824 114 3PY -0.01394 -0.06105 -0.01984 0.01142 0.00885 115 3PZ 0.00436 -0.05091 0.03234 -0.00446 0.00578 116 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 117 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 118 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 119 4XY -0.00091 -0.00669 -0.00442 0.00440 -0.00558 120 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00325 121 4YZ -0.00074 -0.00165 -0.00111 0.00030 -0.00424 122 16 C 1S 0.00937 -0.01088 -0.00407 0.00035 -0.00588 123 2S -0.02082 0.02184 0.00862 -0.00108 0.01078 124 2PX -0.02355 -0.04638 -0.05096 0.03424 -0.05261 125 2PY 0.04753 0.19533 0.06026 -0.03874 0.01149 126 2PZ 0.00371 -0.15378 0.06749 -0.01085 -0.03788 127 3S -0.00964 0.04435 0.01528 -0.00642 0.01816 128 3PX -0.00746 -0.00763 -0.02763 0.01432 -0.01824 129 3PY 0.01394 0.06106 0.01983 -0.01141 0.00886 130 3PZ 0.00437 -0.05090 0.03234 -0.00447 -0.00578 131 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 132 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 133 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00125 134 4XY 0.00091 0.00669 0.00442 -0.00441 -0.00558 135 4XZ -0.00110 -0.00280 0.00206 0.00093 -0.00325 136 4YZ 0.00074 0.00165 0.00110 -0.00030 -0.00424 137 17 C 1S -0.00096 -0.01077 -0.00554 -0.00026 0.00000 138 2S 0.00286 0.02344 0.00837 0.00201 0.00000 139 2PX 0.01562 0.22010 -0.14690 0.00047 0.00000 140 2PY 0.00000 -0.00001 -0.00003 0.00001 0.07077 141 2PZ 0.00729 0.07974 0.30137 -0.09950 0.00001 142 3S 0.00474 0.04137 0.02727 -0.00855 0.00000 143 3PX 0.00845 0.08451 -0.07301 0.00356 0.00000 144 3PY 0.00000 0.00000 -0.00001 0.00000 0.02803 145 3PZ 0.00408 0.01925 0.11941 -0.04302 0.00000 146 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 147 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 148 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 -0.00227 150 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00290 152 18 H 1S 0.00746 0.12877 0.00465 -0.00975 0.03701 153 2S 0.00580 0.07793 0.00772 -0.00248 0.02724 154 19 H 1S 0.00034 0.02997 0.17196 -0.04820 0.00000 155 2S -0.00428 0.02516 0.10560 -0.02522 0.00000 156 20 H 1S 0.00746 0.12877 0.00465 -0.00975 -0.03701 157 2S 0.00580 0.07793 0.00772 -0.00248 -0.02724 158 21 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 159 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 160 2PX 0.00464 0.05353 -0.16048 0.03339 -0.06327 161 2PY -0.02736 -0.19858 -0.08018 0.06940 -0.01146 162 2PZ 0.00852 -0.05736 0.12565 -0.03150 -0.05851 163 3S 0.02410 0.09922 0.00695 -0.04169 0.02137 164 3PX 0.00460 0.03584 -0.08928 0.01747 -0.03352 165 3PY -0.01586 -0.11636 -0.04814 0.04078 -0.00387 166 3PZ 0.00533 -0.02721 0.07606 -0.01900 -0.02975 167 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 168 4YY -0.00199 -0.01676 -0.00726 0.00596 -0.00109 169 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 170 4XY 0.00205 0.01180 -0.00815 0.00047 -0.00280 171 4XZ 0.00007 0.00512 -0.00055 -0.00080 -0.00002 172 4YZ 0.00149 0.00143 0.01119 -0.00382 -0.00235 173 22 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 174 2S 0.01893 0.06741 0.00642 -0.02494 -0.00879 175 2PX 0.00464 0.05353 -0.16048 0.03339 0.06327 176 2PY 0.02735 0.19859 0.08016 -0.06939 -0.01147 177 2PZ 0.00852 -0.05733 0.12566 -0.03151 0.05851 178 3S 0.02410 0.09922 0.00695 -0.04169 -0.02137 179 3PX 0.00460 0.03584 -0.08928 0.01747 0.03352 180 3PY 0.01586 0.11636 0.04812 -0.04077 -0.00387 181 3PZ 0.00534 -0.02719 0.07607 -0.01901 0.02975 182 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 183 4YY -0.00198 -0.01676 -0.00726 0.00596 0.00109 184 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 185 4XY -0.00205 -0.01180 0.00815 -0.00047 -0.00280 186 4XZ 0.00007 0.00511 -0.00055 -0.00080 0.00002 187 4YZ -0.00149 -0.00143 -0.01119 0.00382 -0.00235 188 23 H 1S 0.00690 0.10834 -0.09034 0.00870 0.00000 189 2S 0.00243 0.06408 -0.05002 0.00280 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.01120 0.00122 -0.00258 0.00504 -0.00674 2 2S 0.02096 -0.00223 0.00790 -0.01054 0.01764 3 2PX -0.01417 0.00930 -0.03106 -0.15431 0.12098 4 2PY -0.01098 0.05723 0.03609 0.19643 0.01490 5 2PZ -0.03528 -0.05811 -0.01679 -0.07676 0.16406 6 3S 0.03569 -0.00521 -0.00334 -0.01433 0.02552 7 3PX 0.00017 0.00838 -0.01601 -0.06152 0.01629 8 3PY 0.00468 0.01738 0.01231 0.07222 0.03692 9 3PZ -0.01226 -0.02818 -0.00606 -0.02507 0.03668 10 4XX 0.00010 0.00217 -0.00089 -0.00437 0.00156 11 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 12 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 13 4XY 0.00198 0.00173 0.00027 0.00082 -0.00671 14 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 15 4YZ 0.00367 0.00012 0.00047 0.00073 -0.01097 16 2 C 1S 0.01120 0.00122 -0.00258 0.00504 0.00674 17 2S -0.02096 -0.00223 0.00790 -0.01054 -0.01764 18 2PX 0.01417 0.00930 -0.03106 -0.15431 -0.12098 19 2PY -0.01099 -0.05722 -0.03609 -0.19641 0.01493 20 2PZ 0.03528 -0.05812 -0.01679 -0.07679 -0.16406 21 3S -0.03569 -0.00521 -0.00334 -0.01433 -0.02552 22 3PX -0.00017 0.00838 -0.01601 -0.06152 -0.01629 23 3PY 0.00467 -0.01737 -0.01231 -0.07222 0.03692 24 3PZ 0.01226 -0.02819 -0.00606 -0.02508 -0.03667 25 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00156 26 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 27 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 28 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 29 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 30 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 31 3 C 1S -0.02373 -0.00061 -0.00396 -0.00060 0.02736 32 2S 0.04993 -0.00096 0.00776 0.00099 -0.06302 33 2PX -0.01210 0.10546 0.03940 0.12511 0.10100 34 2PY 0.02919 -0.01632 0.00077 0.03522 0.25433 35 2PZ 0.02249 0.00101 0.04134 0.23682 -0.03104 36 3S 0.05782 0.01173 0.01692 0.01216 -0.09501 37 3PX -0.00315 0.04405 0.01134 0.03648 0.04767 38 3PY 0.00935 -0.01975 -0.00856 0.00711 0.07515 39 3PZ 0.02116 -0.00502 0.01307 0.08431 -0.01004 40 4XX -0.00268 -0.00005 0.00022 -0.00440 -0.00056 41 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 42 4ZZ -0.00431 -0.00111 -0.00159 0.00350 -0.00279 43 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 44 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 45 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 46 4 C 1S 0.01410 -0.00516 -0.00043 0.00003 0.00885 47 2S -0.03009 0.01142 0.00050 0.00168 -0.01673 48 2PX -0.01799 0.22939 0.07293 -0.12354 0.12745 49 2PY -0.01119 -0.01033 0.01420 0.14019 0.01425 50 2PZ -0.04251 -0.10555 -0.07153 -0.15615 0.07839 51 3S -0.04060 0.01707 0.00840 0.00239 -0.05379 52 3PX 0.00226 0.10343 0.03542 -0.05636 0.06031 53 3PY -0.00919 0.00081 0.01009 0.06579 0.03114 54 3PZ -0.02054 -0.04033 -0.02590 -0.07064 0.02681 55 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 56 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 57 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 58 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 59 4XZ 0.00133 0.00828 0.00354 -0.00200 -0.00167 60 4YZ -0.00352 -0.00012 -0.00057 -0.00273 0.00142 61 5 C 1S -0.01410 -0.00516 -0.00043 0.00003 -0.00885 62 2S 0.03009 0.01141 0.00050 0.00168 0.01673 63 2PX 0.01800 0.22939 0.07293 -0.12354 -0.12745 64 2PY -0.01119 0.01035 -0.01419 -0.14017 0.01426 65 2PZ 0.04250 -0.10555 -0.07153 -0.15617 -0.07839 66 3S 0.04060 0.01707 0.00840 0.00239 0.05379 67 3PX -0.00226 0.10343 0.03542 -0.05636 -0.06031 68 3PY -0.00919 -0.00080 -0.01008 -0.06578 0.03114 69 3PZ 0.02054 -0.04033 -0.02590 -0.07065 -0.02680 70 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 71 4YY -0.00212 0.00102 -0.00008 -0.00205 -0.00505 72 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00687 73 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 74 4XZ -0.00133 0.00828 0.00354 -0.00200 0.00167 75 4YZ -0.00352 0.00012 0.00057 0.00272 0.00142 76 6 C 1S 0.02373 -0.00061 -0.00396 -0.00060 -0.02736 77 2S -0.04993 -0.00096 0.00776 0.00099 0.06302 78 2PX 0.01210 0.10546 0.03940 0.12512 -0.10099 79 2PY 0.02919 0.01632 -0.00078 -0.03526 0.25433 80 2PZ -0.02249 0.00102 0.04134 0.23682 0.03109 81 3S -0.05782 0.01173 0.01692 0.01216 0.09501 82 3PX 0.00315 0.04405 0.01134 0.03648 -0.04767 83 3PY 0.00935 0.01975 0.00855 -0.00712 0.07515 84 3PZ -0.02116 -0.00502 0.01307 0.08431 0.01005 85 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 86 4YY -0.00332 0.00143 0.00081 0.00260 -0.01169 87 4ZZ 0.00431 -0.00111 -0.00159 0.00350 0.00279 88 4XY 0.00059 0.00365 0.00091 0.00120 -0.00320 89 4XZ -0.00067 0.00388 0.00245 -0.00455 -0.00024 90 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 91 7 H 1S 0.03401 0.00334 0.00880 0.01608 -0.11250 92 2S 0.02851 0.00146 0.00538 0.01591 -0.10979 93 8 H 1S -0.03401 0.00334 0.00880 0.01608 0.11250 94 2S -0.02851 0.00146 0.00538 0.01591 0.10979 95 9 H 1S 0.03818 -0.00207 0.00458 0.02004 0.13987 96 2S 0.02416 0.00271 0.00596 0.01915 0.14216 97 10 H 1S -0.03170 0.09954 0.02825 -0.06370 0.08254 98 2S -0.02294 0.06367 0.00949 -0.04918 0.07452 99 11 H 1S 0.03170 0.09953 0.02825 -0.06370 -0.08254 100 2S 0.02294 0.06367 0.00949 -0.04918 -0.07452 101 12 H 1S -0.03818 -0.00207 0.00458 0.02004 -0.13987 102 2S -0.02416 0.00271 0.00596 0.01915 -0.14216 103 13 H 1S 0.02578 -0.12773 -0.05405 0.01223 0.02406 104 2S 0.01204 -0.10025 -0.04366 0.00924 0.01494 105 14 H 1S -0.02578 -0.12773 -0.05405 0.01223 -0.02406 106 2S -0.01204 -0.10025 -0.04366 0.00924 -0.01494 107 15 C 1S -0.04334 0.00848 -0.00357 -0.00432 -0.00571 108 2S 0.08673 -0.02294 0.01067 0.00807 0.00806 109 2PX -0.13357 -0.09450 0.13120 -0.02800 0.01138 110 2PY -0.07240 0.02205 -0.00091 0.01148 -0.00264 111 2PZ -0.20087 -0.03049 0.16379 -0.02587 -0.02553 112 3S 0.13910 -0.00856 0.01254 0.01683 0.04802 113 3PX -0.03564 -0.03420 0.04727 -0.00534 0.00372 114 3PY -0.00527 0.00616 -0.00329 -0.00033 0.01918 115 3PZ -0.05306 -0.00399 0.06048 -0.00698 -0.01614 116 4XX -0.01110 0.00027 0.00659 -0.00395 0.00160 117 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 118 4ZZ 0.00420 0.00122 -0.00650 0.00176 -0.00185 119 4XY 0.01347 0.00069 -0.00450 0.00022 -0.00121 120 4XZ -0.00595 -0.00537 0.00273 -0.00138 -0.00025 121 4YZ 0.02186 0.00207 -0.00452 0.00011 0.00320 122 16 C 1S 0.04334 0.00848 -0.00357 -0.00432 0.00571 123 2S -0.08673 -0.02293 0.01067 0.00807 -0.00806 124 2PX 0.13356 -0.09450 0.13120 -0.02801 -0.01138 125 2PY -0.07244 -0.02204 0.00088 -0.01147 -0.00265 126 2PZ 0.20086 -0.03050 0.16379 -0.02588 0.02553 127 3S -0.13910 -0.00856 0.01254 0.01683 -0.04802 128 3PX 0.03563 -0.03420 0.04727 -0.00534 -0.00372 129 3PY -0.00528 -0.00616 0.00328 0.00033 0.01917 130 3PZ 0.05306 -0.00399 0.06048 -0.00698 0.01614 131 4XX 0.01110 0.00027 0.00659 -0.00395 -0.00160 132 4YY -0.00183 0.00045 -0.00230 0.00138 0.00149 133 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 134 4XY 0.01347 -0.00069 0.00450 -0.00022 -0.00121 135 4XZ 0.00595 -0.00537 0.00274 -0.00138 0.00025 136 4YZ 0.02186 -0.00207 0.00452 -0.00011 0.00320 137 17 C 1S 0.00000 0.01987 -0.02040 -0.00014 0.00000 138 2S 0.00000 -0.04360 0.04007 0.00102 0.00000 139 2PX 0.00000 0.00869 0.29899 -0.03915 0.00000 140 2PY -0.19149 0.00002 -0.00001 0.00000 -0.00993 141 2PZ -0.00002 -0.19838 0.06923 0.01122 0.00000 142 3S 0.00000 -0.05147 0.05404 0.00650 0.00000 143 3PX 0.00000 -0.00573 0.10989 -0.00775 0.00000 144 3PY -0.08924 0.00001 0.00000 0.00000 0.00178 145 3PZ -0.00001 -0.08660 0.01956 0.01502 0.00000 146 4XX 0.00000 -0.00316 0.02270 -0.00375 0.00000 147 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 148 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 149 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 150 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 151 4YZ 0.00850 0.00000 0.00000 0.00000 0.00433 152 18 H 1S -0.18978 0.01004 -0.08954 0.01443 -0.01387 153 2S -0.14822 0.01116 -0.07278 0.00771 -0.00332 154 19 H 1S 0.00000 -0.12925 0.03821 0.00245 0.00000 155 2S 0.00000 -0.07776 0.03193 -0.01652 0.00000 156 20 H 1S 0.18978 0.01004 -0.08954 0.01443 0.01387 157 2S 0.14822 0.01116 -0.07278 0.00771 0.00332 158 21 O 1S 0.01680 -0.01267 0.02331 -0.00419 -0.00047 159 2S -0.03654 0.02832 -0.05156 0.00895 0.00286 160 2PX 0.20194 0.12881 -0.15372 0.02089 0.04590 161 2PY 0.02964 -0.00069 -0.02246 -0.01390 0.02105 162 2PZ 0.12175 0.05267 -0.18960 0.04673 -0.05294 163 3S -0.08737 0.04951 -0.10461 0.01780 -0.00121 164 3PX 0.10901 0.07175 -0.08058 0.01162 0.03278 165 3PY 0.00785 -0.00892 -0.00850 -0.00961 0.01279 166 3PZ 0.05880 0.02980 -0.10566 0.03040 -0.03687 167 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 168 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 169 4ZZ 0.00539 -0.00301 0.00038 -0.00005 0.00122 170 4XY 0.00858 0.00645 -0.00493 0.00083 0.00145 171 4XZ 0.00200 -0.00354 0.00343 -0.00036 0.00144 172 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 173 22 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 174 2S 0.03654 0.02832 -0.05156 0.00895 -0.00286 175 2PX -0.20193 0.12881 -0.15373 0.02089 -0.04590 176 2PY 0.02966 0.00068 0.02249 0.01389 0.02104 177 2PZ -0.12174 0.05268 -0.18960 0.04673 0.05294 178 3S 0.08737 0.04951 -0.10461 0.01780 0.00121 179 3PX -0.10901 0.07175 -0.08058 0.01162 -0.03278 180 3PY 0.00786 0.00892 0.00852 0.00961 0.01278 181 3PZ -0.05879 0.02981 -0.10566 0.03041 0.03687 182 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 183 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 184 4ZZ -0.00539 -0.00301 0.00038 -0.00006 -0.00122 185 4XY 0.00858 -0.00645 0.00493 -0.00083 0.00145 186 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 187 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 188 23 H 1S 0.00000 -0.00166 0.19586 -0.02668 0.00000 189 2S 0.00000 0.00843 0.14793 -0.02503 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00511 2 2S 0.02443 -0.04016 0.02195 -0.00836 0.01106 3 2PX 0.02173 -0.07887 0.05002 -0.02594 -0.06475 4 2PY 0.11436 -0.19123 0.00069 0.00046 -0.08215 5 2PZ 0.06211 -0.09336 0.01747 -0.01614 0.08542 6 3S 0.01834 -0.06650 0.07765 -0.05453 0.01056 7 3PX 0.00345 -0.03125 0.03147 -0.02535 -0.03996 8 3PY 0.03863 -0.05037 0.01267 -0.00306 -0.03213 9 3PZ 0.02361 -0.02975 0.01973 -0.01900 0.04539 10 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 11 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 12 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 13 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 14 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 15 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 16 2 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 17 2S 0.02443 -0.04016 -0.02195 0.00836 0.01106 18 2PX 0.02173 -0.07887 -0.05002 0.02594 -0.06475 19 2PY -0.11437 0.19124 0.00069 0.00045 0.08214 20 2PZ 0.06209 -0.09333 -0.01746 0.01614 0.08544 21 3S 0.01834 -0.06650 -0.07765 0.05453 0.01056 22 3PX 0.00345 -0.03125 -0.03147 0.02535 -0.03996 23 3PY -0.03864 0.05037 0.01268 -0.00307 0.03213 24 3PZ 0.02361 -0.02974 -0.01973 0.01900 0.04540 25 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 26 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 27 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 28 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 29 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 30 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 31 3 C 1S -0.00338 -0.00256 0.00623 -0.00443 -0.00778 32 2S 0.00582 0.00655 -0.01853 0.01276 0.01954 33 2PX -0.00251 0.01301 -0.05236 0.01323 -0.09596 34 2PY 0.01290 -0.05039 0.13675 -0.05874 -0.02133 35 2PZ 0.01550 0.03912 0.03082 -0.01262 0.06733 36 3S 0.01606 0.01081 0.01223 -0.01657 0.01465 37 3PX -0.00158 -0.01051 -0.05379 0.02957 -0.05666 38 3PY 0.00480 -0.00966 0.01682 -0.00962 -0.00986 39 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 40 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 41 4YY 0.00197 -0.00346 0.00662 -0.00265 -0.00410 42 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 43 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 44 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 45 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 46 4 C 1S 0.00306 -0.02069 0.00248 -0.00130 -0.00272 47 2S -0.00755 0.04516 0.00036 0.00386 0.00793 48 2PX 0.08122 -0.04527 -0.15595 0.08167 0.08062 49 2PY 0.07396 -0.21890 0.01045 -0.00256 0.04209 50 2PZ 0.00721 -0.16430 0.09245 -0.04279 -0.06564 51 3S -0.00372 0.08486 -0.04621 -0.00035 -0.00102 52 3PX 0.03275 -0.01866 -0.06140 0.02252 0.03263 53 3PY 0.03468 -0.09032 0.04180 -0.01346 0.01866 54 3PZ 0.01609 -0.08315 0.06036 -0.02689 -0.02495 55 4XX 0.00435 -0.01048 -0.00122 0.00088 0.00329 56 4YY -0.00171 0.00682 0.00236 -0.00079 -0.00059 57 4ZZ -0.00110 -0.00220 0.00012 -0.00014 -0.00286 58 4XY 0.00073 -0.00052 -0.01121 0.00586 0.00004 59 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 60 4YZ -0.00023 -0.00023 0.00379 -0.00186 -0.00002 61 5 C 1S 0.00306 -0.02069 -0.00248 0.00130 -0.00272 62 2S -0.00755 0.04516 -0.00036 -0.00386 0.00793 63 2PX 0.08122 -0.04526 0.15595 -0.08167 0.08062 64 2PY -0.07396 0.21893 0.01046 -0.00257 -0.04208 65 2PZ 0.00720 -0.16427 -0.09245 0.04279 -0.06564 66 3S -0.00372 0.08486 0.04621 0.00035 -0.00102 67 3PX 0.03275 -0.01866 0.06140 -0.02252 0.03263 68 3PY -0.03468 0.09034 0.04181 -0.01346 -0.01866 69 3PZ 0.01609 -0.08314 -0.06035 0.02689 -0.02495 70 4XX 0.00435 -0.01048 0.00122 -0.00088 0.00329 71 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 72 4ZZ -0.00110 -0.00220 -0.00012 0.00014 -0.00286 73 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 74 4XZ 0.00447 0.00227 0.00668 -0.00433 0.00978 75 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 76 6 C 1S -0.00338 -0.00256 -0.00623 0.00443 -0.00778 77 2S 0.00582 0.00655 0.01853 -0.01276 0.01954 78 2PX -0.00251 0.01301 0.05236 -0.01323 -0.09596 79 2PY -0.01290 0.05038 0.13676 -0.05874 0.02132 80 2PZ 0.01549 0.03913 -0.03080 0.01261 0.06734 81 3S 0.01606 0.01081 -0.01223 0.01656 0.01465 82 3PX -0.00158 -0.01051 0.05379 -0.02956 -0.05666 83 3PY -0.00480 0.00966 0.01682 -0.00962 0.00985 84 3PZ 0.00693 -0.01470 -0.01455 0.00025 0.04226 85 4XX -0.00094 0.00035 0.00514 -0.00165 0.00137 86 4YY 0.00197 -0.00346 -0.00662 0.00265 -0.00410 87 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 88 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 89 4XZ 0.00133 0.00138 0.00401 -0.00235 0.00624 90 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00250 91 7 H 1S -0.06114 0.11467 -0.01200 0.01065 0.01681 92 2S -0.05781 0.11959 -0.00973 0.00874 0.01666 93 8 H 1S -0.06114 0.11467 0.01200 -0.01065 0.01681 94 2S -0.05781 0.11959 0.00973 -0.00874 0.01666 95 9 H 1S 0.01387 -0.03208 0.07863 -0.03237 -0.02009 96 2S 0.01012 -0.03590 0.08717 -0.02909 -0.02221 97 10 H 1S 0.06090 -0.08551 -0.08472 0.04665 0.05425 98 2S 0.04165 -0.08607 -0.09766 0.06874 0.05668 99 11 H 1S 0.06090 -0.08551 0.08472 -0.04665 0.05425 100 2S 0.04165 -0.08607 0.09766 -0.06874 0.05668 101 12 H 1S 0.01387 -0.03208 -0.07863 0.03237 -0.02009 102 2S 0.01012 -0.03590 -0.08717 0.02909 -0.02221 103 13 H 1S -0.02004 -0.07973 -0.11099 0.05668 -0.05822 104 2S -0.02532 -0.07535 -0.09567 0.05380 -0.06182 105 14 H 1S -0.02004 -0.07973 0.11099 -0.05668 -0.05822 106 2S -0.02532 -0.07535 0.09567 -0.05380 -0.06182 107 15 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 108 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 109 2PX 0.11955 0.02817 -0.05552 0.07432 0.12387 110 2PY -0.23107 -0.11832 -0.00836 0.00354 0.18252 111 2PZ -0.09963 -0.03293 0.08252 0.04468 -0.12769 112 3S -0.05887 -0.02341 0.07144 0.10610 0.00159 113 3PX 0.05942 0.01762 -0.05556 -0.00859 0.08671 114 3PY -0.05968 -0.02882 0.01931 0.05217 0.05865 115 3PZ -0.04603 -0.00577 0.03759 -0.01251 -0.08090 116 4XX 0.01016 0.00359 -0.00612 0.00543 0.00039 117 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 118 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 119 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 120 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 121 4YZ 0.00407 0.00262 -0.00412 0.00351 -0.00620 122 16 C 1S 0.01689 0.00694 0.01729 0.03094 -0.00027 123 2S -0.03769 -0.01690 -0.03518 -0.07034 0.00351 124 2PX 0.11955 0.02817 0.05552 -0.07432 0.12387 125 2PY 0.23109 0.11833 -0.00835 0.00355 -0.18250 126 2PZ -0.09960 -0.03291 -0.08252 -0.04467 -0.12772 127 3S -0.05887 -0.02341 -0.07144 -0.10610 0.00158 128 3PX 0.05942 0.01762 0.05556 0.00859 0.08671 129 3PY 0.05969 0.02882 0.01932 0.05216 -0.05864 130 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 131 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 132 4YY -0.00909 -0.00439 0.00395 0.01151 0.00543 133 4ZZ 0.00693 0.00473 -0.00789 -0.00274 -0.00897 134 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 135 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 136 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 137 17 C 1S -0.03130 -0.01593 0.00000 0.00000 0.02086 138 2S 0.07640 0.03965 0.00000 0.00000 -0.05254 139 2PX -0.15448 -0.07159 0.00000 0.00000 -0.06521 140 2PY 0.00000 0.00000 -0.06919 -0.17971 -0.00002 141 2PZ -0.01810 0.00012 -0.00001 -0.00002 0.17945 142 3S 0.08254 0.04564 0.00000 0.00000 -0.06787 143 3PX -0.06702 -0.03035 0.00000 0.00000 -0.00660 144 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 145 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 146 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 147 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 148 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 149 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 150 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 151 4YZ 0.00000 0.00000 -0.00761 0.01714 0.00000 152 18 H 1S 0.10332 0.05197 0.00695 -0.00528 -0.04078 153 2S 0.09582 0.05555 0.01356 0.00958 -0.05590 154 19 H 1S 0.05619 0.02390 0.00000 0.00000 0.12007 155 2S 0.05455 0.01111 0.00000 0.00000 0.15196 156 20 H 1S 0.10332 0.05197 -0.00695 0.00528 -0.04078 157 2S 0.09582 0.05555 -0.01356 -0.00958 -0.05590 158 21 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 159 2S -0.07462 -0.02608 -0.03965 -0.07270 0.03595 160 2PX -0.04359 -0.02396 -0.17543 -0.06750 0.13863 161 2PY 0.20893 0.08342 0.09716 0.41166 -0.10603 162 2PZ -0.11689 -0.03177 0.20954 -0.03325 -0.09788 163 3S -0.17860 -0.07433 -0.06345 -0.13343 0.08452 164 3PX -0.02994 -0.01451 -0.12787 -0.04961 0.09597 165 3PY 0.12845 0.05037 0.06188 0.27481 -0.06919 166 3PZ -0.07704 -0.02162 0.13953 -0.02378 -0.06028 167 4XX -0.00403 -0.00040 0.00514 -0.00060 -0.01004 168 4YY 0.01542 0.00641 0.00348 0.02028 -0.00698 169 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 170 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 171 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 172 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 173 22 O 1S 0.03751 0.01425 -0.01761 -0.03612 -0.01841 174 2S -0.07462 -0.02608 0.03965 0.07270 0.03595 175 2PX -0.04359 -0.02396 0.17543 0.06750 0.13863 176 2PY -0.20891 -0.08342 0.09720 0.41166 0.10605 177 2PZ -0.11693 -0.03178 -0.20952 0.03332 -0.09786 178 3S -0.17860 -0.07433 0.06345 0.13343 0.08452 179 3PX -0.02994 -0.01451 0.12787 0.04961 0.09597 180 3PY -0.12844 -0.05036 0.06191 0.27480 0.06921 181 3PZ -0.07706 -0.02163 -0.13952 0.02382 -0.06027 182 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 183 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 184 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 185 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00211 186 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 187 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 188 23 H 1S -0.05864 -0.02633 0.00000 0.00000 -0.10328 189 2S -0.06677 -0.02973 0.00000 0.00000 -0.09892 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.00476 0.00272 0.00196 -0.01120 -0.00590 2 2S 0.00545 -0.01588 -0.00791 0.02347 0.01966 3 2PX -0.04989 -0.14856 -0.00088 -0.19345 -0.11968 4 2PY 0.00448 0.01667 -0.21061 0.00888 -0.02878 5 2PZ -0.05528 -0.12129 0.02498 0.20517 0.15114 6 3S 0.04961 0.07021 0.00324 0.05552 -0.04888 7 3PX -0.00354 -0.02662 0.00318 -0.12751 -0.12084 8 3PY 0.02035 0.04055 -0.07792 -0.00528 -0.07360 9 3PZ -0.00506 -0.00321 0.02231 0.13574 0.09142 10 4XX 0.00022 -0.00152 0.00351 -0.00665 -0.01019 11 4YY -0.00207 -0.00041 -0.00856 0.00362 0.00345 12 4ZZ 0.00243 0.00732 0.00764 0.00066 0.00537 13 4XY 0.00501 0.01190 0.00292 -0.00789 0.00667 14 4XZ 0.00311 0.00451 0.00649 -0.00105 -0.00071 15 4YZ 0.00530 0.00993 0.00311 0.00356 -0.01174 16 2 C 1S 0.00476 -0.00272 0.00196 -0.01120 0.00590 17 2S -0.00545 0.01588 -0.00791 0.02347 -0.01966 18 2PX 0.04989 0.14856 -0.00088 -0.19345 0.11967 19 2PY 0.00447 0.01665 0.21061 -0.00891 -0.02875 20 2PZ 0.05528 0.12129 0.02501 0.20517 -0.15114 21 3S -0.04961 -0.07021 0.00324 0.05552 0.04888 22 3PX 0.00354 0.02662 0.00318 -0.12751 0.12084 23 3PY 0.02035 0.04055 0.07792 0.00526 -0.07359 24 3PZ 0.00507 0.00322 0.02232 0.13574 -0.09143 25 4XX -0.00022 0.00152 0.00351 -0.00665 0.01019 26 4YY 0.00207 0.00040 -0.00856 0.00363 -0.00345 27 4ZZ -0.00243 -0.00732 0.00764 0.00066 -0.00537 28 4XY 0.00501 0.01190 -0.00292 0.00789 0.00667 29 4XZ -0.00311 -0.00451 0.00649 -0.00104 0.00071 30 4YZ 0.00530 0.00993 -0.00311 -0.00356 -0.01174 31 3 C 1S 0.01043 -0.00118 -0.00072 0.01248 -0.01316 32 2S -0.02696 -0.00313 0.00765 -0.02322 0.02809 33 2PX -0.08860 -0.10026 -0.06197 -0.12502 0.25642 34 2PY 0.05356 0.02350 -0.18182 0.07742 -0.08080 35 2PZ -0.10171 -0.23178 0.05579 0.04046 -0.15998 36 3S -0.02196 0.05077 -0.02049 -0.06289 0.04142 37 3PX -0.04268 -0.04288 -0.02755 -0.07269 0.19394 38 3PY 0.01134 -0.02971 -0.04897 0.05952 -0.02271 39 3PZ -0.03861 -0.09630 0.02302 0.03570 -0.14703 40 4XX 0.00064 0.00142 0.00777 0.01107 -0.00723 41 4YY 0.00225 0.00267 -0.02072 0.00379 -0.00184 42 4ZZ -0.00156 -0.00579 0.00930 -0.01078 0.00813 43 4XY 0.00278 0.00455 -0.00177 0.00378 -0.00203 44 4XZ -0.00614 0.00381 0.00470 -0.00194 -0.00293 45 4YZ 0.00326 0.00689 0.00267 -0.00447 0.00138 46 4 C 1S 0.00999 0.00302 0.00649 0.00204 -0.00752 47 2S -0.02397 -0.00984 -0.01910 -0.00731 0.00933 48 2PX -0.14177 0.16971 0.00755 0.05504 -0.07888 49 2PY -0.01371 -0.01039 0.27372 -0.09270 -0.01321 50 2PZ 0.17315 0.18133 -0.03437 0.01721 0.03513 51 3S -0.05248 -0.02786 -0.00792 -0.01556 0.09907 52 3PX -0.07492 0.08644 0.00320 0.01734 -0.04012 53 3PY -0.01213 0.00215 0.13289 -0.06110 -0.01255 54 3PZ 0.06067 0.11415 -0.03283 -0.01014 0.01887 55 4XX 0.00130 0.00941 0.00760 0.00246 -0.00620 56 4YY 0.00038 -0.00084 -0.01218 0.00278 -0.00399 57 4ZZ 0.00066 -0.00559 0.00679 -0.00717 0.00915 58 4XY -0.00981 0.01125 0.00067 -0.00033 -0.00312 59 4XZ -0.00982 0.00252 0.00308 0.00570 -0.01276 60 4YZ 0.01005 0.01132 0.00382 -0.00204 0.00325 61 5 C 1S -0.00999 -0.00302 0.00649 0.00204 0.00752 62 2S 0.02397 0.00984 -0.01910 -0.00731 -0.00933 63 2PX 0.14177 -0.16971 0.00755 0.05504 0.07888 64 2PY -0.01368 -0.01036 -0.27371 0.09270 -0.01321 65 2PZ -0.17315 -0.18133 -0.03442 0.01723 -0.03513 66 3S 0.05248 0.02786 -0.00792 -0.01556 -0.09907 67 3PX 0.07492 -0.08644 0.00320 0.01734 0.04012 68 3PY -0.01212 0.00217 -0.13289 0.06110 -0.01254 69 3PZ -0.06067 -0.11415 -0.03285 -0.01013 -0.01887 70 4XX -0.00130 -0.00941 0.00760 0.00246 0.00620 71 4YY -0.00038 0.00084 -0.01218 0.00278 0.00399 72 4ZZ -0.00065 0.00559 0.00678 -0.00717 -0.00915 73 4XY -0.00981 0.01125 -0.00067 0.00033 -0.00312 74 4XZ 0.00982 -0.00252 0.00308 0.00570 0.01276 75 4YZ 0.01005 0.01132 -0.00382 0.00204 0.00326 76 6 C 1S -0.01043 0.00118 -0.00072 0.01248 0.01316 77 2S 0.02696 0.00313 0.00765 -0.02322 -0.02809 78 2PX 0.08860 0.10026 -0.06197 -0.12502 -0.25642 79 2PY 0.05354 0.02346 0.18181 -0.07743 -0.08083 80 2PZ 0.10171 0.23178 0.05582 0.04045 0.15997 81 3S 0.02196 -0.05077 -0.02049 -0.06289 -0.04141 82 3PX 0.04268 0.04288 -0.02755 -0.07269 -0.19394 83 3PY 0.01134 -0.02972 0.04897 -0.05953 -0.02273 84 3PZ 0.03861 0.09630 0.02303 0.03569 0.14703 85 4XX -0.00064 -0.00142 0.00777 0.01107 0.00723 86 4YY -0.00225 -0.00268 -0.02072 0.00379 0.00184 87 4ZZ 0.00156 0.00579 0.00930 -0.01078 -0.00813 88 4XY 0.00278 0.00456 0.00177 -0.00378 -0.00203 89 4XZ 0.00614 -0.00381 0.00470 -0.00194 0.00293 90 4YZ 0.00326 0.00689 -0.00267 0.00447 0.00138 91 7 H 1S 0.05627 0.12072 0.06929 -0.02891 -0.02584 92 2S 0.06641 0.15113 0.08112 -0.03231 -0.05062 93 8 H 1S -0.05627 -0.12072 0.06929 -0.02891 0.02584 94 2S -0.06641 -0.15113 0.08112 -0.03231 0.05062 95 9 H 1S 0.02692 0.02561 -0.15225 0.03721 -0.02188 96 2S 0.04164 0.03571 -0.16879 0.04308 -0.05193 97 10 H 1S -0.06151 0.13918 0.06452 0.01833 -0.06722 98 2S -0.01784 0.12495 0.06740 0.04702 -0.11833 99 11 H 1S 0.06151 -0.13918 0.06452 0.01833 0.06722 100 2S 0.01784 -0.12495 0.06740 0.04702 0.11833 101 12 H 1S -0.02692 -0.02561 -0.15224 0.03721 0.02188 102 2S -0.04164 -0.03571 -0.16879 0.04308 0.05193 103 13 H 1S -0.14061 -0.00339 0.03761 -0.04876 -0.08656 104 2S -0.14961 0.00227 0.04294 -0.04233 -0.10180 105 14 H 1S 0.14061 0.00339 0.03761 -0.04876 0.08657 106 2S 0.14961 -0.00227 0.04294 -0.04233 0.10180 107 15 C 1S 0.00393 -0.00532 -0.00346 -0.01309 -0.00047 108 2S -0.01436 0.00844 0.00540 0.03296 0.00361 109 2PX 0.06828 -0.04151 -0.04074 -0.03638 0.07531 110 2PY 0.02132 -0.01540 -0.07046 -0.02276 -0.01352 111 2PZ -0.03286 0.00483 0.01753 -0.00901 -0.10138 112 3S 0.03894 0.03292 0.01008 0.03756 0.00178 113 3PX 0.06157 -0.01581 -0.02908 -0.01482 0.08052 114 3PY 0.04199 -0.00392 -0.02061 -0.01829 0.01803 115 3PZ -0.00485 0.02486 0.01762 0.00808 -0.07061 116 4XX 0.01180 -0.00671 -0.00323 -0.01368 -0.00967 117 4YY -0.00250 0.00149 -0.00236 0.00225 0.00210 118 4ZZ -0.00724 0.00410 0.00537 0.00947 0.00514 119 4XY -0.00318 0.00175 -0.00108 0.00084 -0.00517 120 4XZ -0.00161 -0.00018 0.00258 0.00409 0.00505 121 4YZ 0.00352 -0.00072 0.00251 0.00145 0.00741 122 16 C 1S -0.00393 0.00532 -0.00346 -0.01309 0.00047 123 2S 0.01436 -0.00844 0.00540 0.03296 -0.00361 124 2PX -0.06828 0.04151 -0.04074 -0.03638 -0.07532 125 2PY 0.02131 -0.01540 0.07046 0.02276 -0.01353 126 2PZ 0.03287 -0.00484 0.01754 -0.00900 0.10139 127 3S -0.03894 -0.03292 0.01008 0.03756 -0.00177 128 3PX -0.06157 0.01581 -0.02908 -0.01482 -0.08053 129 3PY 0.04199 -0.00391 0.02061 0.01828 0.01802 130 3PZ 0.00485 -0.02486 0.01762 0.00808 0.07062 131 4XX -0.01180 0.00671 -0.00323 -0.01368 0.00967 132 4YY 0.00250 -0.00149 -0.00236 0.00225 -0.00210 133 4ZZ 0.00724 -0.00410 0.00537 0.00947 -0.00514 134 4XY -0.00318 0.00175 0.00108 -0.00084 -0.00516 135 4XZ 0.00161 0.00018 0.00258 0.00409 -0.00505 136 4YZ 0.00352 -0.00072 -0.00251 -0.00145 0.00741 137 17 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 138 2S 0.00000 0.00000 0.01383 0.00372 0.00000 139 2PX 0.00000 0.00000 0.03289 0.07150 0.00000 140 2PY -0.01509 -0.00163 0.00001 0.00001 -0.00731 141 2PZ 0.00000 0.00000 -0.08194 -0.11323 0.00000 142 3S 0.00000 0.00000 0.01435 0.00062 0.00000 143 3PX 0.00000 0.00000 0.00510 0.00276 0.00000 144 3PY 0.01075 -0.00629 0.00000 0.00000 -0.01242 145 3PZ 0.00000 0.00000 -0.02067 -0.01324 0.00000 146 4XX 0.00000 0.00000 0.00861 0.01578 0.00000 147 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 148 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00000 149 4XY -0.00912 0.00346 0.00000 0.00000 0.00582 150 4XZ 0.00000 0.00000 0.00054 -0.00057 0.00000 151 4YZ 0.01719 -0.00728 0.00000 0.00000 -0.00599 152 18 H 1S 0.01308 -0.01728 0.03246 0.04364 -0.06508 153 2S 0.00241 -0.01914 0.03077 0.03395 -0.06999 154 19 H 1S 0.00000 0.00000 -0.05915 -0.10844 0.00000 155 2S 0.00000 0.00000 -0.07280 -0.14170 0.00000 156 20 H 1S -0.01308 0.01728 0.03246 0.04364 0.06508 157 2S -0.00241 0.01914 0.03077 0.03395 0.06999 158 21 O 1S 0.00440 -0.00152 0.00621 0.00387 0.00233 159 2S -0.00432 0.00463 -0.01234 -0.00699 -0.00184 160 2PX 0.17415 -0.06324 -0.06114 -0.10720 -0.07182 161 2PY 0.09844 -0.05456 0.03246 0.00040 -0.00159 162 2PZ -0.24696 0.11973 0.06058 0.16847 0.07459 163 3S -0.03610 -0.00559 -0.02749 -0.02268 -0.02602 164 3PX 0.13312 -0.04309 -0.04360 -0.07748 -0.06051 165 3PY 0.06165 -0.03945 0.02184 -0.00023 -0.00653 166 3PZ -0.16747 0.08424 0.04203 0.12560 0.06611 167 4XX -0.00451 0.00313 0.00401 0.00662 -0.00115 168 4YY 0.00627 -0.00197 0.00166 0.00057 0.00071 169 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 0.00435 170 4XY 0.00615 -0.00148 -0.00085 -0.00285 -0.00244 171 4XZ 0.00110 -0.00037 -0.00081 -0.00131 0.00043 172 4YZ -0.01005 0.00528 0.00312 0.00633 0.00287 173 22 O 1S -0.00440 0.00152 0.00621 0.00387 -0.00233 174 2S 0.00432 -0.00463 -0.01234 -0.00699 0.00184 175 2PX -0.17415 0.06324 -0.06114 -0.10720 0.07183 176 2PY 0.09840 -0.05454 -0.03247 -0.00043 -0.00158 177 2PZ 0.24698 -0.11974 0.06058 0.16847 -0.07460 178 3S 0.03610 0.00559 -0.02749 -0.02268 0.02602 179 3PX -0.13312 0.04309 -0.04360 -0.07748 0.06052 180 3PY 0.06162 -0.03944 -0.02185 0.00021 -0.00652 181 3PZ 0.16748 -0.08424 0.04202 0.12560 -0.06611 182 4XX 0.00451 -0.00313 0.00401 0.00662 0.00115 183 4YY -0.00626 0.00197 0.00166 0.00057 -0.00071 184 4ZZ -0.00321 0.00022 -0.00221 -0.00374 -0.00435 185 4XY 0.00615 -0.00148 0.00085 0.00285 -0.00244 186 4XZ -0.00110 0.00037 -0.00081 -0.00131 -0.00043 187 4YZ -0.01005 0.00528 -0.00312 -0.00633 0.00287 188 23 H 1S 0.00000 0.00000 0.04716 0.08539 0.00000 189 2S 0.00000 0.00000 0.05042 0.11069 0.00000 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08378 0.11232 1 1 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02044 2 2S 0.00985 -0.00465 -0.01376 -0.05095 0.02313 3 2PX 0.15347 -0.12043 0.20343 0.03994 -0.07620 4 2PY 0.02330 -0.03533 0.00587 0.03603 -0.05710 5 2PZ -0.11252 0.10313 -0.15777 0.02657 -0.09757 6 3S 0.02459 -0.03351 0.00389 -0.24361 0.42064 7 3PX 0.12908 -0.17272 0.30031 0.08830 -0.15505 8 3PY 0.00711 -0.02149 0.06008 0.06201 -0.11730 9 3PZ -0.08402 0.14990 -0.17049 0.09426 -0.19305 10 4XX -0.00252 0.01610 0.00010 -0.00056 0.00123 11 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 12 4ZZ 0.00269 -0.00941 0.00076 0.00528 -0.00295 13 4XY 0.00496 -0.00830 -0.01074 0.00493 -0.00731 14 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 15 4YZ -0.00559 0.01374 0.00904 0.00596 -0.00807 16 2 C 1S -0.00195 0.00460 -0.00662 0.02285 -0.02044 17 2S 0.00985 -0.00465 0.01376 -0.05095 0.02313 18 2PX 0.15348 -0.12043 -0.20343 0.03994 -0.07620 19 2PY -0.02328 0.03531 0.00584 -0.03603 0.05712 20 2PZ -0.11253 0.10314 0.15777 0.02656 -0.09756 21 3S 0.02460 -0.03351 -0.00389 -0.24361 0.42064 22 3PX 0.12909 -0.17273 -0.30030 0.08830 -0.15505 23 3PY -0.00709 0.02147 0.06005 -0.06203 0.11733 24 3PZ -0.08403 0.14991 0.17049 0.09425 -0.19303 25 4XX -0.00252 0.01610 -0.00010 -0.00056 0.00123 26 4YY 0.00188 -0.00377 -0.00175 -0.00387 -0.00098 27 4ZZ 0.00269 -0.00941 -0.00076 0.00528 -0.00295 28 4XY -0.00496 0.00830 -0.01074 -0.00493 0.00731 29 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 30 4YZ 0.00558 -0.01374 0.00904 -0.00596 0.00807 31 3 C 1S -0.00472 -0.02868 0.00880 0.02362 -0.04188 32 2S 0.02221 0.05167 -0.04382 -0.04894 0.06230 33 2PX -0.03706 0.29285 -0.00771 -0.00129 0.03379 34 2PY 0.00638 -0.09311 0.01678 -0.07480 0.08531 35 2PZ 0.02563 -0.18156 0.01168 0.00261 -0.01081 36 3S -0.04326 0.21347 0.08589 -0.26265 0.59799 37 3PX -0.01518 0.37272 -0.00127 0.00398 0.12812 38 3PY 0.03918 -0.10309 -0.02706 -0.16936 0.23973 39 3PZ 0.04473 -0.21539 0.03729 0.04881 0.06931 40 4XX -0.01126 0.00018 0.01993 -0.00062 -0.00327 41 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00911 42 4ZZ 0.00571 -0.00746 -0.01353 -0.00332 0.00293 43 4XY 0.00115 0.00500 -0.00004 0.00252 -0.00055 44 4XZ 0.00523 0.00385 -0.00879 -0.00656 -0.00084 45 4YZ 0.00006 -0.00467 0.00027 -0.00384 -0.00171 46 4 C 1S -0.01157 0.01411 0.01542 0.05242 0.00921 47 2S 0.02705 -0.02558 -0.03231 -0.07738 -0.00303 48 2PX -0.00739 0.01030 0.02050 -0.09419 -0.10188 49 2PY -0.00756 0.01790 -0.02726 -0.05153 -0.02532 50 2PZ -0.04302 0.02629 0.05413 -0.08097 0.00525 51 3S 0.03916 -0.12991 -0.14379 -0.73829 -0.26488 52 3PX -0.01335 0.01224 0.05388 -0.18144 -0.21140 53 3PY -0.00260 -0.01352 -0.04797 -0.19719 -0.15840 54 3PZ -0.03373 0.01985 0.04196 -0.16103 0.07281 55 4XX -0.00183 -0.00650 0.00244 0.01073 0.00045 56 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 57 4ZZ -0.00267 0.01495 -0.00075 0.00228 -0.00187 58 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 59 4XZ 0.00393 -0.01388 -0.00244 0.00026 0.00083 60 4YZ -0.00100 0.00202 0.00226 0.00681 -0.00837 61 5 C 1S -0.01157 0.01411 -0.01542 0.05242 0.00921 62 2S 0.02705 -0.02558 0.03231 -0.07738 -0.00303 63 2PX -0.00738 0.01029 -0.02050 -0.09419 -0.10188 64 2PY 0.00756 -0.01790 -0.02725 0.05154 0.02532 65 2PZ -0.04302 0.02628 -0.05413 -0.08096 0.00526 66 3S 0.03916 -0.12990 0.14380 -0.73829 -0.26489 67 3PX -0.01335 0.01223 -0.05388 -0.18144 -0.21140 68 3PY 0.00261 0.01352 -0.04797 0.19721 0.15839 69 3PZ -0.03373 0.01985 -0.04196 -0.16100 0.07284 70 4XX -0.00183 -0.00650 -0.00244 0.01073 0.00045 71 4YY 0.00255 -0.00565 0.00081 -0.00369 -0.00067 72 4ZZ -0.00267 0.01495 0.00075 0.00228 -0.00187 73 4XY -0.00040 -0.00587 0.00101 -0.00322 -0.00055 74 4XZ 0.00393 -0.01388 0.00244 0.00026 0.00083 75 4YZ 0.00100 -0.00203 0.00226 -0.00682 0.00837 76 6 C 1S -0.00472 -0.02868 -0.00880 0.02362 -0.04188 77 2S 0.02221 0.05167 0.04382 -0.04894 0.06230 78 2PX -0.03707 0.29285 0.00770 -0.00129 0.03380 79 2PY -0.00639 0.09314 0.01678 0.07480 -0.08531 80 2PZ 0.02564 -0.18155 -0.01167 0.00263 -0.01082 81 3S -0.04326 0.21347 -0.08590 -0.26264 0.59799 82 3PX -0.01518 0.37272 0.00125 0.00398 0.12813 83 3PY -0.03919 0.10312 -0.02706 0.16935 -0.23974 84 3PZ 0.04473 -0.21538 -0.03728 0.04884 0.06927 85 4XX -0.01126 0.00018 -0.01993 -0.00062 -0.00327 86 4YY 0.00295 -0.00195 0.00423 0.00824 -0.00911 87 4ZZ 0.00571 -0.00746 0.01353 -0.00332 0.00293 88 4XY -0.00115 -0.00501 -0.00005 -0.00251 0.00055 89 4XZ 0.00523 0.00385 0.00879 -0.00656 -0.00084 90 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 91 7 H 1S -0.00340 0.02130 0.01092 0.02993 -0.02733 92 2S -0.00397 0.06247 0.06752 0.37818 -0.61045 93 8 H 1S -0.00340 0.02130 -0.01092 0.02993 -0.02733 94 2S -0.00397 0.06246 -0.06752 0.37818 -0.61045 95 9 H 1S 0.01303 -0.01334 -0.01335 0.02888 -0.02885 96 2S 0.00689 -0.05555 -0.01293 0.42889 -0.62078 97 10 H 1S 0.00223 -0.02835 0.00550 0.03639 0.00739 98 2S 0.02552 -0.04313 0.00650 0.67004 0.35021 99 11 H 1S 0.00223 -0.02835 -0.00549 0.03639 0.00739 100 2S 0.02552 -0.04313 -0.00650 0.67004 0.35021 101 12 H 1S 0.01303 -0.01334 0.01335 0.02888 -0.02885 102 2S 0.00690 -0.05554 0.01293 0.42889 -0.62078 103 13 H 1S -0.01965 0.06087 -0.01284 0.01247 -0.01631 104 2S -0.04990 0.20038 -0.09828 0.34460 -0.17658 105 14 H 1S -0.01965 0.06087 0.01284 0.01247 -0.01631 106 2S -0.04990 0.20038 0.09827 0.34460 -0.17658 107 15 C 1S 0.01561 0.01166 0.05212 0.01390 -0.00960 108 2S -0.02636 -0.03784 -0.11165 -0.04164 0.00097 109 2PX 0.22000 0.15868 0.23731 0.01567 -0.06760 110 2PY 0.08635 0.03385 0.07432 0.03085 -0.05607 111 2PZ -0.17709 -0.09908 -0.20977 0.03481 -0.11985 112 3S -0.11584 0.00283 -0.27489 -0.14093 0.29372 113 3PX 0.14336 0.20305 0.31509 0.07927 -0.14864 114 3PY 0.07613 0.00777 0.23625 0.04994 -0.12632 115 3PZ -0.13606 -0.08002 -0.11705 0.10463 -0.27848 116 4XX -0.00838 0.00551 0.00422 0.00188 0.00358 117 4YY 0.00092 -0.00096 0.00407 -0.00079 -0.00558 118 4ZZ 0.01023 0.00183 0.00642 0.00347 -0.00128 119 4XY 0.01162 0.01368 -0.01144 0.00154 -0.00287 120 4XZ 0.00281 -0.01141 0.00575 -0.00155 0.00412 121 4YZ -0.01258 -0.01066 0.00816 0.00258 -0.01277 122 16 C 1S 0.01561 0.01166 -0.05213 0.01390 -0.00960 123 2S -0.02636 -0.03783 0.11166 -0.04164 0.00097 124 2PX 0.22000 0.15867 -0.23731 0.01567 -0.06760 125 2PY -0.08632 -0.03383 0.07428 -0.03086 0.05609 126 2PZ -0.17710 -0.09908 0.20978 0.03480 -0.11984 127 3S -0.11584 0.00283 0.27489 -0.14093 0.29372 128 3PX 0.14336 0.20304 -0.31510 0.07927 -0.14865 129 3PY -0.07611 -0.00775 0.23624 -0.04996 0.12637 130 3PZ -0.13607 -0.08002 0.11710 0.10462 -0.27846 131 4XX -0.00838 0.00551 -0.00422 0.00188 0.00358 132 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 133 4ZZ 0.01024 0.00183 -0.00641 0.00347 -0.00128 134 4XY -0.01162 -0.01368 -0.01144 -0.00154 0.00287 135 4XZ 0.00281 -0.01141 -0.00575 -0.00155 0.00413 136 4YZ 0.01258 0.01066 0.00816 -0.00259 0.01277 137 17 C 1S 0.00839 -0.00001 0.00000 0.05870 0.04879 138 2S -0.02048 -0.00328 0.00000 -0.10857 -0.07178 139 2PX 0.07239 0.00106 0.00000 -0.05292 -0.05267 140 2PY 0.00000 0.00000 0.06576 0.00002 0.00001 141 2PZ -0.02596 0.02195 0.00001 -0.19215 -0.16881 142 3S -0.04373 0.02257 0.00000 -0.80831 -0.80857 143 3PX 0.01174 0.01859 0.00000 -0.17738 -0.14500 144 3PY -0.00001 0.00000 0.11933 0.00004 0.00003 145 3PZ 0.05639 0.04091 0.00001 -0.48220 -0.43517 146 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 147 4YY 0.00231 0.00338 0.00000 0.00118 -0.00217 148 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 149 4XY 0.00000 0.00000 0.01363 0.00000 0.00000 150 4XZ 0.00047 0.00053 0.00000 -0.00823 -0.00557 151 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 152 18 H 1S 0.00984 -0.02415 -0.06324 0.00918 -0.03359 153 2S 0.04017 -0.05985 -0.35373 0.28070 -0.60422 154 19 H 1S -0.08859 -0.01615 0.00000 0.02914 0.04104 155 2S -0.16277 -0.08594 0.00000 0.84935 0.84396 156 20 H 1S 0.00984 -0.02415 0.06324 0.00918 -0.03359 157 2S 0.04017 -0.05984 0.35373 0.28070 -0.60422 158 21 O 1S -0.00598 0.00574 -0.01755 0.01154 -0.00908 159 2S 0.00548 -0.00824 0.04327 -0.03193 0.00992 160 2PX -0.18582 -0.01614 -0.12507 0.01592 -0.06026 161 2PY -0.02667 -0.01483 0.01589 -0.01248 0.02723 162 2PZ 0.21709 0.08072 0.08196 0.00359 -0.00483 163 3S 0.06523 -0.07378 0.11190 -0.11294 0.12145 164 3PX -0.15619 -0.00520 -0.10863 0.03681 -0.07010 165 3PY -0.01189 -0.02619 0.00818 -0.07042 0.05140 166 3PZ 0.17793 0.09788 0.09527 0.04666 0.02238 167 4XX -0.00410 -0.00187 -0.01483 -0.00271 -0.00460 168 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00383 169 4ZZ -0.00104 0.00593 0.00725 -0.00047 -0.00323 170 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 171 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 172 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 173 22 O 1S -0.00598 0.00574 0.01755 0.01154 -0.00908 174 2S 0.00548 -0.00824 -0.04327 -0.03193 0.00992 175 2PX -0.18581 -0.01613 0.12508 0.01592 -0.06026 176 2PY 0.02663 0.01481 0.01591 0.01248 -0.02723 177 2PZ 0.21710 0.08072 -0.08196 0.00359 -0.00483 178 3S 0.06524 -0.07379 -0.11189 -0.11294 0.12146 179 3PX -0.15619 -0.00520 0.10863 0.03681 -0.07010 180 3PY 0.01186 0.02618 0.00819 0.07041 -0.05140 181 3PZ 0.17793 0.09788 -0.09527 0.04667 0.02237 182 4XX -0.00410 -0.00187 0.01483 -0.00271 -0.00460 183 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 184 4ZZ -0.00104 0.00593 -0.00725 -0.00047 -0.00323 185 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00354 186 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 187 4YZ -0.00294 0.00122 0.00246 0.00326 0.00296 188 23 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 189 2S 0.14832 0.00357 0.00000 0.46144 0.42988 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12246 0.12316 0.13517 0.14424 1 1 C 1S -0.01472 0.01343 -0.03545 -0.01152 0.01725 2 2S 0.02930 -0.03708 0.05297 0.02271 -0.04594 3 2PX -0.20626 0.06448 -0.03816 -0.04251 -0.01094 4 2PY 0.01532 -0.01217 -0.04983 -0.01765 0.02897 5 2PZ 0.17835 -0.06583 -0.10322 0.00496 0.07776 6 3S 0.08409 -0.07653 0.54932 0.13733 -0.28577 7 3PX -0.36939 0.17337 -0.09596 -0.06050 0.04038 8 3PY -0.00938 0.03595 -0.19845 -0.03520 0.12838 9 3PZ 0.25885 -0.09451 -0.21210 -0.02202 0.10552 10 4XX 0.00910 -0.00564 -0.00671 -0.00170 0.00609 11 4YY -0.00704 0.00491 0.00454 0.00139 -0.00422 12 4ZZ -0.00669 0.00219 -0.00542 -0.00081 -0.00409 13 4XY 0.00974 -0.00311 -0.00605 -0.00813 0.00192 14 4XZ 0.00165 -0.00401 -0.00391 -0.00211 -0.00251 15 4YZ -0.00497 0.00068 -0.00978 0.00140 0.00319 16 2 C 1S 0.01472 -0.01344 -0.03545 -0.01152 0.01725 17 2S -0.02930 0.03709 0.05296 0.02271 -0.04594 18 2PX 0.20626 -0.06449 -0.03814 -0.04252 -0.01094 19 2PY 0.01535 -0.01217 0.04985 0.01765 -0.02898 20 2PZ -0.17835 0.06581 -0.10323 0.00496 0.07776 21 3S -0.08410 0.07661 0.54930 0.13733 -0.28579 22 3PX 0.36939 -0.17339 -0.09592 -0.06050 0.04039 23 3PY -0.00934 0.03596 0.19848 0.03520 -0.12840 24 3PZ -0.25885 0.09449 -0.21209 -0.02201 0.10551 25 4XX -0.00910 0.00564 -0.00671 -0.00170 0.00609 26 4YY 0.00704 -0.00491 0.00453 0.00139 -0.00422 27 4ZZ 0.00669 -0.00219 -0.00542 -0.00081 -0.00409 28 4XY 0.00974 -0.00311 0.00605 0.00814 -0.00192 29 4XZ -0.00165 0.00401 -0.00391 -0.00211 -0.00251 30 4YZ -0.00497 0.00068 0.00978 -0.00140 -0.00319 31 3 C 1S 0.01241 -0.01043 0.00405 -0.00801 -0.01006 32 2S -0.02187 0.01822 -0.01702 0.02439 0.01470 33 2PX -0.20669 0.13155 -0.04459 0.02642 0.03317 34 2PY 0.06484 -0.07508 0.06378 0.02524 -0.00245 35 2PZ 0.09824 -0.06752 -0.02117 -0.02584 0.01731 36 3S -0.13120 0.09174 -0.00531 0.04218 0.14325 37 3PX -0.26575 0.25690 -0.07840 0.11188 -0.05449 38 3PY 0.13975 -0.21344 0.13782 0.09397 0.01965 39 3PZ 0.14776 -0.00956 0.04882 -0.18963 -0.00187 40 4XX -0.00751 0.00131 0.00520 -0.00037 -0.00387 41 4YY -0.00257 0.00273 -0.00864 -0.00710 0.00507 42 4ZZ 0.01374 -0.00790 0.00157 0.00657 -0.00244 43 4XY -0.00786 0.00716 -0.01057 0.00574 -0.00282 44 4XZ -0.00242 0.00426 0.00486 0.00070 0.00048 45 4YZ 0.00725 -0.00381 -0.00075 -0.00433 0.00346 46 4 C 1S 0.00825 0.02081 0.01870 -0.03954 -0.00565 47 2S -0.00744 -0.00494 -0.01716 0.04340 0.00173 48 2PX -0.04527 -0.02642 0.11927 -0.11347 0.09430 49 2PY 0.05816 -0.05295 -0.02587 0.06765 0.01919 50 2PZ -0.02603 -0.01174 -0.14053 0.08816 0.01756 51 3S -0.13068 -0.44722 -0.40095 0.70585 0.14616 52 3PX -0.14921 -0.08562 0.34160 -0.30785 0.28076 53 3PY 0.15454 -0.10065 -0.13715 0.19197 0.03920 54 3PZ -0.04691 0.01253 -0.36406 0.20463 0.03936 55 4XX 0.00360 0.00004 0.00593 -0.00341 -0.00483 56 4YY 0.00718 -0.00134 0.00094 -0.00205 -0.00170 57 4ZZ -0.00924 0.00875 -0.00219 -0.00287 0.00399 58 4XY -0.00508 0.00122 -0.01139 0.00253 -0.00577 59 4XZ 0.00816 -0.00741 -0.01280 -0.00043 0.00028 60 4YZ -0.00191 0.00064 0.00399 -0.00403 -0.00053 61 5 C 1S -0.00825 -0.02081 0.01871 -0.03954 -0.00565 62 2S 0.00744 0.00494 -0.01716 0.04340 0.00173 63 2PX 0.04527 0.02644 0.11927 -0.11347 0.09430 64 2PY 0.05815 -0.05295 0.02590 -0.06766 -0.01920 65 2PZ 0.02605 0.01171 -0.14053 0.08815 0.01756 66 3S 0.13070 0.44717 -0.40101 0.70584 0.14618 67 3PX 0.14920 0.08567 0.34159 -0.30785 0.28076 68 3PY 0.15452 -0.10063 0.13723 -0.19201 -0.03920 69 3PZ 0.04695 -0.01260 -0.36404 0.20460 0.03936 70 4XX -0.00360 -0.00004 0.00593 -0.00341 -0.00483 71 4YY -0.00718 0.00134 0.00094 -0.00205 -0.00170 72 4ZZ 0.00924 -0.00875 -0.00219 -0.00287 0.00399 73 4XY -0.00508 0.00122 0.01139 -0.00253 0.00577 74 4XZ -0.00816 0.00741 -0.01280 -0.00043 0.00028 75 4YZ -0.00192 0.00064 -0.00399 0.00403 0.00053 76 6 C 1S -0.01241 0.01043 0.00405 -0.00801 -0.01006 77 2S 0.02187 -0.01822 -0.01702 0.02439 0.01471 78 2PX 0.20669 -0.13155 -0.04457 0.02642 0.03317 79 2PY 0.06486 -0.07510 -0.06376 -0.02523 0.00243 80 2PZ -0.09823 0.06750 -0.02119 -0.02584 0.01731 81 3S 0.13119 -0.09173 -0.00530 0.04218 0.14329 82 3PX 0.26575 -0.25691 -0.07836 0.11187 -0.05449 83 3PY 0.13978 -0.21346 -0.13780 -0.09394 -0.01968 84 3PZ -0.14774 0.00953 0.04879 -0.18964 -0.00187 85 4XX 0.00751 -0.00131 0.00520 -0.00037 -0.00387 86 4YY 0.00257 -0.00273 -0.00864 -0.00710 0.00507 87 4ZZ -0.01373 0.00790 0.00157 0.00657 -0.00245 88 4XY -0.00786 0.00716 0.01057 -0.00574 0.00282 89 4XZ 0.00242 -0.00426 0.00487 0.00070 0.00048 90 4YZ 0.00725 -0.00381 0.00074 0.00433 -0.00346 91 7 H 1S -0.01556 -0.00640 -0.05052 -0.02522 0.00284 92 2S -0.04240 0.04716 -0.70994 -0.19455 0.35527 93 8 H 1S 0.01556 0.00639 -0.05052 -0.02522 0.00284 94 2S 0.04243 -0.04726 -0.70993 -0.19455 0.35530 95 9 H 1S -0.01968 0.01721 -0.02651 -0.02468 0.01510 96 2S -0.09657 0.19924 -0.19806 -0.22098 -0.05302 97 10 H 1S 0.02404 -0.01409 -0.03251 0.00355 -0.02959 98 2S 0.18896 0.24194 -0.18541 -0.04943 -0.45198 99 11 H 1S -0.02404 0.01408 -0.03251 0.00355 -0.02959 100 2S -0.18896 -0.24196 -0.18538 -0.04943 -0.45199 101 12 H 1S 0.01968 -0.01721 -0.02651 -0.02468 0.01510 102 2S 0.09658 -0.19928 -0.19803 -0.22098 -0.05308 103 13 H 1S 0.04440 -0.03859 0.06347 -0.02405 0.01624 104 2S 0.19347 -0.20924 0.88267 -0.81914 0.17492 105 14 H 1S -0.04440 0.03860 0.06346 -0.02405 0.01624 106 2S -0.19350 0.20936 0.88263 -0.81913 0.17493 107 15 C 1S 0.04794 -0.00479 0.00435 0.02435 0.04021 108 2S -0.10827 0.00048 -0.02722 -0.02954 -0.08335 109 2PX 0.06053 -0.25258 0.06300 0.06636 -0.11905 110 2PY 0.09223 0.04988 0.00973 0.09771 0.05145 111 2PZ -0.10918 0.05714 0.08008 0.17974 -0.10592 112 3S -0.37773 0.13580 -0.07332 -0.54018 -0.46697 113 3PX 0.18604 -0.44209 0.14765 0.22749 -0.28787 114 3PY 0.15627 0.23151 0.04384 0.24359 0.21889 115 3PZ 0.02106 0.07079 0.19157 0.38937 -0.20634 116 4XX 0.00752 -0.00244 -0.00621 0.00002 0.00834 117 4YY -0.00149 -0.00781 -0.00050 0.00530 -0.01141 118 4ZZ 0.00679 0.00148 0.00663 0.00097 0.00472 119 4XY 0.00013 0.01185 0.00432 0.01083 -0.01372 120 4XZ 0.00120 0.00907 -0.00759 0.00081 0.01365 121 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 122 16 C 1S -0.04794 0.00479 0.00434 0.02435 0.04022 123 2S 0.10827 -0.00048 -0.02722 -0.02954 -0.08335 124 2PX -0.06053 0.25259 0.06296 0.06636 -0.11905 125 2PY 0.09221 0.04989 -0.00975 -0.09774 -0.05144 126 2PZ 0.10920 -0.05712 0.08009 0.17973 -0.10593 127 3S 0.37773 -0.13581 -0.07329 -0.54018 -0.46700 128 3PX -0.18605 0.44211 0.14758 0.22749 -0.28787 129 3PY 0.15627 0.23152 -0.04390 -0.24366 -0.21885 130 3PZ -0.02103 -0.07073 0.19158 0.38933 -0.20635 131 4XX -0.00752 0.00244 -0.00621 0.00002 0.00834 132 4YY 0.00149 0.00781 -0.00050 0.00530 -0.01141 133 4ZZ -0.00679 -0.00148 0.00663 0.00097 0.00473 134 4XY 0.00013 0.01185 -0.00432 -0.01083 0.01372 135 4XZ -0.00120 -0.00907 -0.00759 0.00081 0.01366 136 4YZ 0.00254 -0.00011 -0.01331 -0.01507 0.01041 137 17 C 1S 0.00000 0.00000 0.00922 0.05793 0.06459 138 2S 0.00000 0.00000 -0.04200 -0.09731 -0.09102 139 2PX 0.00000 -0.00001 -0.09026 -0.07814 -0.24185 140 2PY 0.22815 0.34653 -0.00002 0.00000 -0.00001 141 2PZ 0.00002 0.00003 0.03440 0.03544 0.13722 142 3S 0.00000 -0.00001 -0.08865 -0.79186 -0.99103 143 3PX 0.00000 -0.00002 -0.33436 -0.13290 -0.61815 144 3PY 0.62472 0.89006 -0.00006 -0.00001 -0.00003 145 3PZ 0.00005 0.00008 0.07127 0.07096 0.31583 146 4XX 0.00000 0.00000 0.00475 0.00394 0.01355 147 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 148 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 149 4XY 0.01713 0.01392 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 -0.00444 0.00494 0.00598 151 4YZ 0.01048 0.02310 0.00000 0.00000 0.00000 152 18 H 1S -0.04685 -0.03231 0.03819 0.05617 -0.00896 153 2S -0.41312 -0.11797 0.35409 0.94718 0.08384 154 19 H 1S 0.00000 0.00000 -0.01377 0.00902 0.02088 155 2S 0.00000 -0.00001 -0.15933 0.24446 -0.09554 156 20 H 1S 0.04685 0.03232 0.03819 0.05617 -0.00896 157 2S 0.41312 0.11801 0.35409 0.94718 0.08381 158 21 O 1S -0.04226 -0.06536 0.01860 0.00218 -0.04984 159 2S 0.06944 0.08841 -0.03273 -0.01870 0.07547 160 2PX 0.00185 0.09456 0.07721 0.07939 -0.09374 161 2PY 0.07136 0.08563 -0.04931 0.00007 0.07174 162 2PZ 0.07572 0.04196 0.01107 0.03753 -0.10706 163 3S 0.44627 0.81416 -0.23673 -0.00227 0.59809 164 3PX 0.05134 0.13202 0.12564 0.14091 -0.12568 165 3PY 0.13406 0.21680 -0.10622 -0.02041 0.15247 166 3PZ 0.13528 0.06380 0.01441 0.05125 -0.19970 167 4XX -0.02419 -0.02281 0.00578 -0.00588 -0.02160 168 4YY -0.00312 -0.01306 -0.00001 -0.00294 -0.01109 169 4ZZ -0.01339 -0.03606 0.00575 -0.00764 -0.01768 170 4XY 0.00078 -0.00036 -0.00395 -0.00725 -0.00875 171 4XZ -0.00908 -0.00782 -0.00539 -0.00310 -0.00243 172 4YZ 0.00293 0.00179 0.00258 -0.00064 0.00283 173 22 O 1S 0.04225 0.06536 0.01859 0.00218 -0.04984 174 2S -0.06944 -0.08841 -0.03272 -0.01870 0.07547 175 2PX -0.00186 -0.09454 0.07723 0.07939 -0.09374 176 2PY 0.07137 0.08564 0.04930 -0.00007 -0.07172 177 2PZ -0.07571 -0.04194 0.01109 0.03753 -0.10707 178 3S -0.44626 -0.81419 -0.23663 -0.00226 0.59809 179 3PX -0.05135 -0.13200 0.12565 0.14091 -0.12568 180 3PY 0.13408 0.21683 0.10619 0.02040 -0.15244 181 3PZ -0.13526 -0.06376 0.01443 0.05125 -0.19973 182 4XX 0.02419 0.02282 0.00578 -0.00588 -0.02160 183 4YY 0.00311 0.01306 -0.00001 -0.00295 -0.01109 184 4ZZ 0.01339 0.03606 0.00574 -0.00764 -0.01768 185 4XY 0.00078 -0.00037 0.00395 0.00725 0.00875 186 4XZ 0.00908 0.00782 -0.00539 -0.00310 -0.00242 187 4YZ 0.00293 0.00178 -0.00258 0.00064 -0.00283 188 23 H 1S 0.00000 0.00000 0.01443 0.00763 0.07892 189 2S 0.00000 0.00003 0.46073 0.59995 1.41908 51 52 53 54 55 V V V V V Eigenvalues -- 0.14525 0.16394 0.17144 0.17764 0.19270 1 1 C 1S -0.02425 0.01342 0.03540 0.04225 0.05795 2 2S 0.03790 0.03153 -0.03291 -0.06380 -0.07419 3 2PX -0.06623 0.07772 0.04042 -0.02960 0.07377 4 2PY -0.06666 0.04462 0.08608 -0.01234 0.06308 5 2PZ -0.06128 0.00047 0.03382 0.05977 0.06878 6 3S 0.58882 -0.40579 -0.73675 -0.58851 -0.87173 7 3PX -0.25313 0.05587 0.05154 0.06332 0.24374 8 3PY 0.06283 0.14059 0.35770 0.05287 0.20158 9 3PZ -0.23345 0.02446 0.02645 0.27864 0.43100 10 4XX -0.00007 -0.00263 -0.00019 -0.00112 0.00857 11 4YY 0.00806 0.00632 -0.00049 0.01160 0.00477 12 4ZZ -0.00483 0.00783 0.00683 -0.00001 0.00218 13 4XY 0.00076 0.00554 0.00138 0.00028 -0.00198 14 4XZ 0.00005 0.00677 0.00325 -0.00108 0.00454 15 4YZ 0.00102 -0.00218 -0.00822 -0.00325 -0.00261 16 2 C 1S 0.02425 0.01342 0.03540 -0.04225 -0.05795 17 2S -0.03790 0.03153 -0.03291 0.06380 0.07419 18 2PX 0.06623 0.07772 0.04042 0.02960 -0.07377 19 2PY -0.06667 -0.04462 -0.08609 -0.01234 0.06309 20 2PZ 0.06126 0.00046 0.03380 -0.05977 -0.06877 21 3S -0.58881 -0.40579 -0.73675 0.58851 0.87173 22 3PX 0.25313 0.05587 0.05154 -0.06332 -0.24374 23 3PY 0.06279 -0.14060 -0.35770 0.05292 0.20165 24 3PZ 0.23345 0.02444 0.02638 -0.27863 -0.43096 25 4XX 0.00007 -0.00263 -0.00019 0.00112 -0.00857 26 4YY -0.00806 0.00632 -0.00049 -0.01160 -0.00477 27 4ZZ 0.00483 0.00783 0.00684 0.00000 -0.00218 28 4XY 0.00076 -0.00554 -0.00138 0.00028 -0.00198 29 4XZ -0.00005 0.00677 0.00325 0.00108 -0.00454 30 4YZ 0.00102 0.00218 0.00822 -0.00325 -0.00261 31 3 C 1S 0.04503 -0.01274 -0.08277 0.00567 0.01577 32 2S -0.06344 0.01535 0.09999 -0.03023 -0.05213 33 2PX -0.07403 -0.05077 -0.02173 0.03492 -0.00216 34 2PY -0.20027 0.00293 0.07368 -0.05769 0.07589 35 2PZ 0.04236 0.03333 0.10837 0.03265 0.03257 36 3S -0.86603 0.25148 1.44152 0.00780 0.00384 37 3PX -0.12918 -0.09746 -0.09350 0.07812 0.09260 38 3PY -0.60181 -0.06295 0.25379 -0.33132 0.02696 39 3PZ 0.00885 0.04850 0.22289 0.36978 0.04453 40 4XX 0.00488 0.00114 -0.00527 -0.00106 0.00506 41 4YY 0.00187 0.00042 -0.00066 -0.00267 -0.01113 42 4ZZ 0.00170 -0.00449 -0.01047 0.00257 0.00737 43 4XY 0.00122 0.00341 -0.00076 0.00455 0.00474 44 4XZ -0.00652 -0.00018 -0.00084 0.00032 0.00377 45 4YZ -0.00442 0.00439 0.00510 0.01351 0.00338 46 4 C 1S 0.00352 -0.00213 0.03762 0.11465 0.00882 47 2S 0.02170 -0.01216 -0.03722 -0.09204 0.00021 48 2PX -0.03254 -0.01432 0.09149 -0.00513 -0.01488 49 2PY -0.07349 0.00881 -0.04080 0.04690 0.09718 50 2PZ -0.05408 0.08230 0.06546 -0.10604 -0.01340 51 3S -0.25080 0.12599 -0.62768 -2.23055 -0.21053 52 3PX -0.11662 0.05139 0.31201 0.07395 -0.16639 53 3PY 0.05574 0.03147 -0.28549 0.46145 0.31938 54 3PZ -0.09318 0.16446 0.27479 -0.21917 0.05668 55 4XX 0.00716 0.00076 -0.00269 0.00209 -0.00103 56 4YY -0.00723 -0.00271 -0.00300 0.01887 0.00931 57 4ZZ 0.00476 -0.00095 0.01230 0.00191 -0.00650 58 4XY -0.00052 -0.00303 -0.01179 0.00046 -0.00074 59 4XZ 0.00385 -0.00085 0.00567 -0.00039 -0.00394 60 4YZ 0.00037 -0.00453 -0.01440 -0.00167 -0.00248 61 5 C 1S -0.00352 -0.00213 0.03762 -0.11465 -0.00882 62 2S -0.02170 -0.01216 -0.03722 0.09204 -0.00021 63 2PX 0.03254 -0.01432 0.09149 0.00513 0.01488 64 2PY -0.07350 -0.00883 0.04079 0.04688 0.09718 65 2PZ 0.05406 0.08230 0.06547 0.10605 0.01341 66 3S 0.25080 0.12599 -0.62768 2.23056 0.21054 67 3PX 0.11661 0.05139 0.31201 -0.07395 0.16639 68 3PY 0.05573 -0.03150 0.28545 0.46141 0.31939 69 3PZ 0.09319 0.16446 0.27484 0.21925 -0.05663 70 4XX -0.00716 0.00076 -0.00269 -0.00209 0.00103 71 4YY 0.00723 -0.00271 -0.00300 -0.01886 -0.00931 72 4ZZ -0.00476 -0.00095 0.01230 -0.00191 0.00650 73 4XY -0.00052 0.00303 0.01179 0.00046 -0.00074 74 4XZ -0.00385 -0.00085 0.00567 0.00039 0.00394 75 4YZ 0.00037 0.00453 0.01439 -0.00167 -0.00249 76 6 C 1S -0.04503 -0.01274 -0.08277 -0.00567 -0.01577 77 2S 0.06344 0.01535 0.09999 0.03023 0.05213 78 2PX 0.07403 -0.05077 -0.02173 -0.03492 0.00216 79 2PY -0.20027 -0.00294 -0.07370 -0.05768 0.07589 80 2PZ -0.04239 0.03333 0.10836 -0.03266 -0.03256 81 3S 0.86602 0.25148 1.44152 -0.00780 -0.00384 82 3PX 0.12918 -0.09745 -0.09350 -0.07812 -0.09260 83 3PY -0.60180 0.06294 -0.25383 -0.33125 0.02697 84 3PZ -0.00895 0.04851 0.22285 -0.36984 -0.04453 85 4XX -0.00488 0.00114 -0.00527 0.00106 -0.00506 86 4YY -0.00187 0.00042 -0.00065 0.00267 0.01113 87 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 -0.00737 88 4XY 0.00121 -0.00341 0.00076 0.00455 0.00474 89 4XZ 0.00652 -0.00018 -0.00084 -0.00032 -0.00377 90 4YZ -0.00442 -0.00439 -0.00510 0.01351 0.00338 91 7 H 1S -0.00644 0.03754 0.01574 0.00140 0.04622 92 2S -0.59136 0.33135 0.60681 0.47282 1.01053 93 8 H 1S 0.00644 0.03754 0.01574 -0.00140 -0.04622 94 2S 0.59134 0.33135 0.60681 -0.47282 -1.01053 95 9 H 1S 0.02117 0.00172 -0.02367 -0.01788 -0.04066 96 2S 1.13255 -0.02829 -0.85870 0.32447 -0.14195 97 10 H 1S 0.02072 -0.01306 -0.03990 0.00289 -0.00957 98 2S 0.26003 -0.16324 -0.16958 0.67484 -0.00794 99 11 H 1S -0.02072 -0.01306 -0.03990 -0.00289 0.00957 100 2S -0.26001 -0.16324 -0.16958 -0.67485 0.00793 101 12 H 1S -0.02117 0.00172 -0.02367 0.01788 0.04066 102 2S -1.13255 -0.02829 -0.85870 -0.32447 0.14195 103 13 H 1S 0.00951 -0.00344 -0.00525 -0.00688 0.01237 104 2S -0.07287 -0.20797 0.31208 -0.87871 0.19383 105 14 H 1S -0.00951 -0.00344 -0.00525 0.00688 -0.01237 106 2S 0.07286 -0.20797 0.31208 0.87871 -0.19383 107 15 C 1S -0.03254 -0.05606 -0.00411 0.01465 -0.06492 108 2S 0.03711 0.09082 0.01993 -0.01499 0.09273 109 2PX 0.05904 0.06274 0.05491 0.02288 0.02879 110 2PY -0.01604 -0.12471 -0.02485 -0.03175 -0.01151 111 2PZ -0.13292 0.01298 0.08417 0.07702 -0.20250 112 3S 0.64246 0.90719 -0.10965 -0.25876 1.08645 113 3PX -0.00642 0.24252 0.12469 0.14352 -0.17591 114 3PY 0.04393 -0.44256 0.09533 0.02056 -0.01103 115 3PZ -0.45762 0.03543 0.16420 0.30114 -0.68653 116 4XX -0.00607 -0.00893 -0.00391 0.00026 -0.00874 117 4YY -0.00410 0.00892 -0.00009 0.01066 -0.01365 118 4ZZ 0.00078 -0.00113 0.00303 -0.00264 0.00178 119 4XY -0.00230 0.00448 0.00853 -0.00277 -0.00029 120 4XZ -0.00459 -0.01416 -0.00530 0.00129 -0.00699 121 4YZ 0.00612 0.01154 0.00978 -0.00383 0.01064 122 16 C 1S 0.03254 -0.05606 -0.00411 -0.01465 0.06492 123 2S -0.03711 0.09082 0.01993 0.01499 -0.09273 124 2PX -0.05903 0.06274 0.05491 -0.02287 -0.02879 125 2PY -0.01606 0.12471 0.02484 -0.03174 -0.01154 126 2PZ 0.13292 0.01300 0.08417 -0.07702 0.20250 127 3S -0.64244 0.90719 -0.10965 0.25877 -1.08645 128 3PX 0.00643 0.24252 0.12469 -0.14351 0.17591 129 3PY 0.04386 0.44255 -0.09536 0.02061 -0.01115 130 3PZ 0.45763 0.03550 0.16419 -0.30113 0.68653 131 4XX 0.00607 -0.00893 -0.00391 -0.00026 0.00874 132 4YY 0.00410 0.00892 -0.00009 -0.01066 0.01365 133 4ZZ -0.00078 -0.00113 0.00303 0.00264 -0.00178 134 4XY -0.00230 -0.00448 -0.00853 -0.00277 -0.00029 135 4XZ 0.00458 -0.01416 -0.00531 -0.00129 0.00699 136 4YZ 0.00612 -0.01154 -0.00978 -0.00384 0.01065 137 17 C 1S 0.00000 -0.01528 0.03925 0.00000 0.00000 138 2S 0.00000 0.02414 -0.06070 0.00000 0.00000 139 2PX 0.00001 -0.32141 0.16689 0.00000 0.00000 140 2PY 0.00271 0.00000 0.00000 -0.14840 0.09949 141 2PZ 0.00000 0.03833 -0.04018 -0.00001 0.00001 142 3S 0.00002 -0.02681 -0.49151 0.00000 -0.00001 143 3PX 0.00001 -0.87053 0.49214 0.00000 0.00000 144 3PY 0.00467 0.00000 0.00000 -0.27942 0.20322 145 3PZ -0.00001 0.03006 -0.04321 -0.00002 0.00002 146 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 147 4YY 0.00000 0.00357 0.01187 0.00000 0.00000 148 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 149 4XY -0.00082 0.00000 0.00000 -0.01056 0.00499 150 4XZ 0.00000 -0.01428 0.00540 0.00000 0.00000 151 4YZ -0.00493 0.00000 0.00000 -0.00687 -0.00108 152 18 H 1S -0.00141 -0.00535 0.04189 0.00119 0.01945 153 2S 0.65975 -0.66008 0.32104 -0.36208 1.14813 154 19 H 1S 0.00000 -0.02508 -0.00109 0.00000 0.00000 155 2S 0.00000 -0.41251 0.49974 0.00000 0.00000 156 20 H 1S 0.00141 -0.00535 0.04189 -0.00119 -0.01945 157 2S -0.65975 -0.66009 0.32104 0.36208 -1.14813 158 21 O 1S -0.00159 0.05755 -0.00666 0.01644 -0.01098 159 2S -0.00091 -0.07982 0.00193 -0.00468 0.00175 160 2PX -0.01520 0.12680 0.05153 -0.04746 0.02945 161 2PY -0.03312 -0.10930 0.03792 -0.04562 -0.01502 162 2PZ 0.05337 0.05957 0.08771 -0.00971 0.07351 163 3S 0.05081 -0.76977 0.12921 -0.29204 0.22676 164 3PX -0.04414 0.28568 0.07353 -0.02559 -0.00315 165 3PY -0.00796 -0.23066 0.10400 -0.08179 0.04546 166 3PZ 0.07022 0.10987 0.13189 -0.04115 0.11090 167 4XX -0.00041 0.01876 0.00121 0.01400 -0.00845 168 4YY -0.00369 0.01340 -0.00496 0.00846 -0.00865 169 4ZZ 0.00378 0.02486 -0.00496 0.00872 0.00014 170 4XY -0.00258 0.00367 -0.00285 0.00136 -0.00432 171 4XZ 0.00418 -0.00495 0.00568 0.00709 0.00278 172 4YZ 0.00053 0.00850 -0.00259 0.00567 -0.00325 173 22 O 1S 0.00159 0.05755 -0.00666 -0.01644 0.01098 174 2S 0.00091 -0.07982 0.00193 0.00468 -0.00175 175 2PX 0.01520 0.12680 0.05153 0.04746 -0.02944 176 2PY -0.03311 0.10929 -0.03794 -0.04562 -0.01501 177 2PZ -0.05337 0.05959 0.08770 0.00971 -0.07351 178 3S -0.05084 -0.76977 0.12921 0.29203 -0.22676 179 3PX 0.04414 0.28568 0.07353 0.02559 0.00315 180 3PY -0.00794 0.23064 -0.10402 -0.08179 0.04548 181 3PZ -0.07021 0.10991 0.13187 0.04114 -0.11089 182 4XX 0.00041 0.01876 0.00121 -0.01400 0.00845 183 4YY 0.00369 0.01341 -0.00496 -0.00846 0.00865 184 4ZZ -0.00378 0.02486 -0.00496 -0.00872 -0.00014 185 4XY -0.00258 -0.00366 0.00285 0.00136 -0.00432 186 4XZ -0.00418 -0.00495 0.00568 -0.00709 -0.00278 187 4YZ 0.00054 -0.00851 0.00259 0.00567 -0.00325 188 23 H 1S 0.00000 0.01457 -0.03335 0.00000 0.00000 189 2S -0.00003 1.06608 -0.40328 0.00000 0.00000 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22888 0.23611 0.24272 1 1 C 1S 0.00898 0.05859 -0.01515 0.01034 0.00707 2 2S -0.03619 -0.13601 0.05891 -0.00292 0.00098 3 2PX -0.01192 0.02093 0.00005 0.04968 0.06868 4 2PY 0.01274 0.01849 -0.02989 -0.05794 0.09804 5 2PZ 0.02813 0.07637 0.02509 -0.02012 0.09176 6 3S -0.05631 -0.42281 0.21087 -0.49174 -0.42262 7 3PX 0.04412 0.39514 -0.03036 0.03041 0.24380 8 3PY 0.08881 0.33959 -0.20727 -0.27307 0.33855 9 3PZ 0.06028 0.60412 -0.09382 -0.10216 0.42503 10 4XX 0.00059 -0.00135 0.00295 -0.00345 -0.00450 11 4YY -0.00388 0.01273 0.00463 0.00661 0.01301 12 4ZZ 0.00042 -0.00281 -0.00173 -0.00600 -0.00900 13 4XY -0.00419 -0.00326 0.00700 -0.00146 -0.00905 14 4XZ -0.00138 -0.00016 0.00314 -0.00588 -0.01242 15 4YZ -0.00224 -0.00691 0.00326 0.00123 0.00233 16 2 C 1S 0.00898 -0.05859 -0.01515 -0.01034 0.00707 17 2S -0.03618 0.13601 0.05891 0.00292 0.00098 18 2PX -0.01192 -0.02093 0.00005 -0.04968 0.06867 19 2PY -0.01274 0.01850 0.02989 -0.05794 -0.09805 20 2PZ 0.02813 -0.07637 0.02509 0.02011 0.09175 21 3S -0.05630 0.42281 0.21086 0.49175 -0.42262 22 3PX 0.04411 -0.39514 -0.03036 -0.03041 0.24379 23 3PY -0.08882 0.33969 0.20729 -0.27308 -0.33862 24 3PZ 0.06025 -0.60406 -0.09379 0.10211 0.42497 25 4XX 0.00059 0.00135 0.00295 0.00345 -0.00450 26 4YY -0.00388 -0.01273 0.00463 -0.00661 0.01301 27 4ZZ 0.00042 0.00280 -0.00173 0.00600 -0.00900 28 4XY 0.00419 -0.00326 -0.00700 -0.00146 0.00905 29 4XZ -0.00138 0.00016 0.00314 0.00588 -0.01241 30 4YZ 0.00224 -0.00691 -0.00326 0.00123 -0.00232 31 3 C 1S -0.03046 0.05349 0.01361 -0.01868 0.04418 32 2S 0.04315 -0.08635 -0.01749 0.04378 -0.05056 33 2PX 0.01100 -0.00093 0.00263 0.02470 -0.03683 34 2PY 0.05151 -0.10985 -0.09754 -0.00660 0.18661 35 2PZ 0.01420 -0.00156 0.07718 0.00958 -0.19015 36 3S 0.45747 -0.53125 -0.24706 0.23448 -0.78783 37 3PX 0.11776 -0.07109 0.00446 0.38213 -0.21733 38 3PY 0.24762 -0.72527 -0.46856 0.09192 0.92167 39 3PZ 0.08113 0.08539 0.25180 0.03437 -0.84004 40 4XX -0.00320 -0.00112 0.00294 -0.00542 0.00220 41 4YY -0.00205 0.00461 -0.00280 0.00545 -0.00023 42 4ZZ -0.00167 0.00894 0.00262 -0.00161 0.00442 43 4XY 0.00206 0.00611 -0.00355 0.01081 -0.00141 44 4XZ -0.00275 0.00724 0.00845 -0.01199 0.00161 45 4YZ -0.00097 0.00099 0.00728 -0.00211 -0.00509 46 4 C 1S 0.01303 -0.06054 -0.03013 0.01377 -0.06151 47 2S -0.02079 0.09495 0.05545 -0.02944 0.05136 48 2PX -0.03120 -0.01282 0.10572 -0.29932 0.01857 49 2PY -0.00831 0.00091 0.06479 -0.01534 0.07098 50 2PZ 0.03355 0.03290 0.07420 0.13087 -0.09932 51 3S -0.24258 0.66902 0.47336 -0.12126 1.28495 52 3PX -0.06011 0.05726 0.48435 -1.18883 -0.08942 53 3PY -0.14211 0.13809 0.19267 -0.13310 0.33114 54 3PZ 0.06355 0.24735 0.33332 0.49764 -0.81828 55 4XX 0.00236 -0.00183 -0.01521 -0.00176 0.01028 56 4YY -0.00335 -0.01049 0.00250 0.00078 0.00190 57 4ZZ 0.00078 -0.00519 0.00889 0.00322 -0.02399 58 4XY -0.00133 0.00160 -0.01774 -0.00760 -0.00053 59 4XZ 0.00081 -0.00284 -0.00776 0.00144 -0.01388 60 4YZ -0.00610 0.00323 -0.00290 0.00410 0.01218 61 5 C 1S 0.01303 0.06054 -0.03013 -0.01377 -0.06151 62 2S -0.02079 -0.09495 0.05545 0.02944 0.05135 63 2PX -0.03120 0.01282 0.10572 0.29932 0.01857 64 2PY 0.00830 0.00092 -0.06480 -0.01532 -0.07096 65 2PZ 0.03355 -0.03290 0.07419 -0.13087 -0.09934 66 3S -0.24259 -0.66901 0.47336 0.12124 1.28494 67 3PX -0.06011 -0.05726 0.48435 1.18883 -0.08941 68 3PY 0.14211 0.13813 -0.19273 -0.13301 -0.33101 69 3PZ 0.06357 -0.24733 0.33328 -0.49766 -0.81833 70 4XX 0.00236 0.00183 -0.01521 0.00176 0.01028 71 4YY -0.00335 0.01049 0.00250 -0.00078 0.00190 72 4ZZ 0.00078 0.00519 0.00889 -0.00321 -0.02399 73 4XY 0.00133 0.00160 0.01774 -0.00760 0.00053 74 4XZ 0.00081 0.00284 -0.00775 -0.00144 -0.01388 75 4YZ 0.00610 0.00323 0.00290 0.00410 -0.01217 76 6 C 1S -0.03046 -0.05349 0.01361 0.01868 0.04418 77 2S 0.04316 0.08635 -0.01749 -0.04377 -0.05056 78 2PX 0.01100 0.00093 0.00263 -0.02470 -0.03683 79 2PY -0.05151 -0.10985 0.09753 -0.00660 -0.18658 80 2PZ 0.01419 0.00154 0.07719 -0.00958 -0.19018 81 3S 0.45748 0.53124 -0.24706 -0.23447 -0.78783 82 3PX 0.11776 0.07109 0.00446 -0.38213 -0.21734 83 3PY -0.24765 -0.72525 0.46852 0.09194 -0.92152 84 3PZ 0.08109 -0.08551 0.25188 -0.03434 -0.84019 85 4XX -0.00320 0.00112 0.00294 0.00542 0.00220 86 4YY -0.00205 -0.00461 -0.00279 -0.00545 -0.00023 87 4ZZ -0.00167 -0.00894 0.00262 0.00161 0.00442 88 4XY -0.00206 0.00611 0.00355 0.01081 0.00141 89 4XZ -0.00275 -0.00723 0.00845 0.01199 0.00161 90 4YZ 0.00097 0.00099 -0.00728 -0.00211 0.00509 91 7 H 1S -0.00958 0.01867 0.01229 -0.02153 -0.03805 92 2S 0.17254 1.03846 -0.22792 -0.06086 0.72432 93 8 H 1S -0.00958 -0.01867 0.01229 0.02153 -0.03805 94 2S 0.17251 -1.03846 -0.22792 0.06085 0.72432 95 9 H 1S -0.01807 0.06789 0.00171 0.02131 -0.00966 96 2S -0.47583 1.09002 0.63469 -0.17176 -0.74437 97 10 H 1S -0.00007 -0.02509 -0.12090 0.03223 0.02491 98 2S 0.16818 -0.45025 -1.02971 1.22633 -0.29097 99 11 H 1S -0.00007 0.02509 -0.12090 -0.03223 0.02491 100 2S 0.16819 0.45025 -1.02971 -1.22633 -0.29099 101 12 H 1S -0.01807 -0.06789 0.00171 -0.02131 -0.00966 102 2S -0.47585 -1.09001 0.63469 0.17177 -0.74437 103 13 H 1S -0.00472 0.01118 0.03959 0.02671 0.06590 104 2S -0.02489 0.52550 -0.10400 1.20372 0.08346 105 14 H 1S -0.00472 -0.01118 0.03959 -0.02671 0.06590 106 2S -0.02490 -0.52550 -0.10400 -1.20372 0.08345 107 15 C 1S 0.04178 0.03037 -0.00031 -0.00395 -0.01075 108 2S -0.08464 -0.07266 -0.02232 0.00833 0.01290 109 2PX -0.05172 -0.00311 -0.02244 0.02252 -0.00385 110 2PY 0.12664 0.03615 0.00699 -0.02660 -0.02176 111 2PZ -0.00529 0.08506 -0.00849 0.03452 -0.02704 112 3S -0.53917 -0.21766 0.07224 -0.01571 0.18148 113 3PX -0.08827 0.10867 0.04747 -0.00894 -0.02846 114 3PY 0.20051 0.38270 -0.05288 -0.08081 -0.06315 115 3PZ -0.03351 0.37432 0.00280 0.06914 -0.00096 116 4XX 0.00132 0.00559 -0.00473 -0.00671 -0.00382 117 4YY 0.00335 0.00683 0.00172 0.00170 0.00111 118 4ZZ 0.00173 -0.00097 0.00022 0.00121 0.00002 119 4XY -0.01155 0.00104 -0.00284 -0.00373 0.00425 120 4XZ -0.00065 0.00172 -0.00252 -0.00325 0.00117 121 4YZ -0.01108 -0.00490 -0.00438 -0.00103 -0.00162 122 16 C 1S 0.04178 -0.03037 -0.00031 0.00395 -0.01075 123 2S -0.08464 0.07266 -0.02232 -0.00833 0.01290 124 2PX -0.05172 0.00311 -0.02244 -0.02252 -0.00385 125 2PY -0.12664 0.03617 -0.00699 -0.02659 0.02176 126 2PZ -0.00531 -0.08505 -0.00849 -0.03453 -0.02703 127 3S -0.53917 0.21767 0.07224 0.01570 0.18148 128 3PX -0.08827 -0.10867 0.04747 0.00894 -0.02846 129 3PY -0.20050 0.38276 0.05288 -0.08080 0.06315 130 3PZ -0.03354 -0.37426 0.00281 -0.06915 -0.00095 131 4XX 0.00132 -0.00559 -0.00473 0.00671 -0.00382 132 4YY 0.00334 -0.00683 0.00172 -0.00170 0.00111 133 4ZZ 0.00173 0.00097 0.00022 -0.00121 0.00003 134 4XY 0.01155 0.00104 0.00284 -0.00373 -0.00425 135 4XZ -0.00065 -0.00172 -0.00252 0.00325 0.00117 136 4YZ 0.01108 -0.00490 0.00438 -0.00103 0.00162 137 17 C 1S -0.13287 0.00000 0.00659 0.00000 0.01037 138 2S 0.21013 0.00000 0.02144 0.00000 -0.03317 139 2PX -0.15656 0.00000 -0.02944 0.00000 0.03801 140 2PY 0.00001 0.00207 0.00003 -0.12175 0.00001 141 2PZ -0.15356 0.00000 -0.33518 -0.00001 -0.14489 142 3S 1.81184 -0.00001 -0.42574 0.00000 -0.21399 143 3PX -0.64691 0.00000 0.08759 0.00000 0.07370 144 3PY 0.00005 -0.15174 0.00008 -0.09342 0.00003 145 3PZ -0.60758 -0.00001 -0.96031 -0.00001 -0.35294 146 4XX 0.01719 0.00000 -0.00420 0.00000 -0.00520 147 4YY -0.03106 0.00000 -0.00884 0.00000 -0.00538 148 4ZZ 0.00853 0.00000 0.02074 0.00000 0.00606 149 4XY 0.00000 0.00318 0.00000 -0.01285 0.00000 150 4XZ -0.02413 0.00000 -0.00910 0.00000 -0.00454 151 4YZ 0.00000 0.00101 0.00000 -0.00586 0.00000 152 18 H 1S -0.03843 -0.01577 -0.00971 0.00110 0.00208 153 2S 0.39786 -0.72270 -0.02309 -0.03229 -0.19433 154 19 H 1S 0.02872 0.00000 0.11739 0.00000 0.04447 155 2S -0.41063 0.00000 1.47336 -0.00001 0.62684 156 20 H 1S -0.03843 0.01577 -0.00971 -0.00110 0.00208 157 2S 0.39787 0.72269 -0.02308 0.03229 -0.19432 158 21 O 1S 0.03754 0.00430 0.01617 0.00885 0.00527 159 2S -0.03956 0.00495 -0.01840 -0.01049 -0.01019 160 2PX -0.15564 -0.01289 -0.08246 -0.02231 -0.00965 161 2PY -0.22886 0.01102 -0.09686 -0.05040 -0.03001 162 2PZ -0.14122 -0.05271 0.06621 0.01945 0.02167 163 3S -0.57423 -0.12537 -0.25921 -0.10884 -0.07851 164 3PX -0.29284 -0.01056 -0.10254 -0.00064 -0.01005 165 3PY -0.49005 -0.05530 -0.16626 -0.03401 -0.03138 166 3PZ -0.27047 -0.08392 0.09307 -0.00127 0.04713 167 4XX 0.01433 0.00336 0.00696 0.01039 0.00302 168 4YY 0.01413 0.00250 0.01073 0.00269 0.00063 169 4ZZ 0.01612 0.00484 -0.00058 0.00183 -0.00040 170 4XY 0.00569 0.00008 0.00763 0.00085 0.00252 171 4XZ -0.01376 -0.00552 -0.00621 0.00775 -0.00281 172 4YZ 0.00570 -0.00204 0.00121 0.00676 -0.00218 173 22 O 1S 0.03754 -0.00430 0.01617 -0.00885 0.00527 174 2S -0.03956 -0.00495 -0.01840 0.01049 -0.01019 175 2PX -0.15564 0.01289 -0.08246 0.02231 -0.00965 176 2PY 0.22889 0.01101 0.09685 -0.05040 0.03001 177 2PZ -0.14118 0.05271 0.06622 -0.01946 0.02168 178 3S -0.57423 0.12538 -0.25921 0.10884 -0.07851 179 3PX -0.29284 0.01056 -0.10254 0.00063 -0.01005 180 3PY 0.49010 -0.05532 0.16624 -0.03401 0.03137 181 3PZ -0.27038 0.08392 0.09310 0.00126 0.04714 182 4XX 0.01433 -0.00336 0.00695 -0.01039 0.00302 183 4YY 0.01413 -0.00250 0.01073 -0.00270 0.00063 184 4ZZ 0.01612 -0.00485 -0.00058 -0.00183 -0.00039 185 4XY -0.00568 0.00008 -0.00763 0.00085 -0.00252 186 4XZ -0.01376 0.00552 -0.00621 -0.00775 -0.00281 187 4YZ -0.00570 -0.00204 -0.00121 0.00675 0.00218 188 23 H 1S 0.05445 0.00000 -0.02906 0.00000 -0.01541 189 2S -0.30248 0.00000 -0.22065 0.00000 -0.13184 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S 0.00769 0.04918 -0.06115 -0.00227 -0.00128 2 2S -0.01974 -0.05121 0.03526 -0.00790 0.02212 3 2PX -0.06482 -0.02938 0.10791 -0.06932 0.02059 4 2PY -0.01800 -0.19977 -0.04489 0.03378 -0.03084 5 2PZ -0.15615 0.04039 0.10439 0.05971 0.00494 6 3S -0.13973 -1.39768 1.97743 -0.08222 -0.13809 7 3PX -0.35997 0.00150 0.90328 -0.13319 0.04294 8 3PY -0.17703 -1.37838 -0.73215 -0.09863 -0.22936 9 3PZ -0.57675 0.29815 0.79015 -0.00010 -0.03204 10 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 11 4YY 0.00104 0.02470 0.00742 -0.01043 0.00338 12 4ZZ 0.00483 -0.01758 -0.00116 -0.00623 0.00019 13 4XY 0.00241 -0.00353 0.02269 0.00382 0.00019 14 4XZ -0.00234 -0.01440 -0.01145 -0.00795 0.00113 15 4YZ 0.00641 0.00072 0.02428 -0.00019 -0.00158 16 2 C 1S -0.00769 -0.04918 -0.06115 0.00227 0.00128 17 2S 0.01974 0.05121 0.03526 0.00790 -0.02212 18 2PX 0.06482 0.02938 0.10791 0.06932 -0.02059 19 2PY -0.01803 -0.19976 0.04487 0.03379 -0.03084 20 2PZ 0.15614 -0.04043 0.10440 -0.05970 -0.00494 21 3S 0.13972 1.39770 1.97743 0.08222 0.13809 22 3PX 0.35997 -0.00150 0.90328 0.13319 -0.04294 23 3PY -0.17714 -1.37832 0.73203 -0.09863 -0.22936 24 3PZ 0.57672 -0.29837 0.79027 0.00008 0.03200 25 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 26 4YY -0.00104 -0.02470 0.00743 0.01043 -0.00338 27 4ZZ -0.00482 0.01758 -0.00117 0.00623 -0.00019 28 4XY 0.00241 -0.00353 -0.02269 0.00382 0.00020 29 4XZ 0.00234 0.01440 -0.01145 0.00795 -0.00113 30 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 31 3 C 1S 0.00502 -0.05458 0.04993 -0.01183 0.00112 32 2S 0.01910 0.06382 -0.05071 0.01457 0.03162 33 2PX 0.03121 -0.03930 0.16617 -0.08599 0.01370 34 2PY -0.04681 -0.04807 0.13031 0.02965 -0.00220 35 2PZ -0.03008 0.15529 0.17505 0.02967 -0.00024 36 3S -0.41606 1.37438 -1.44223 0.20221 -0.12326 37 3PX 0.26619 -0.06225 1.06988 0.07215 -0.13162 38 3PY -0.13593 -0.13868 0.85981 0.07398 0.14651 39 3PZ 0.13965 0.67790 1.01358 0.10933 -0.14440 40 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00617 41 4YY -0.00719 0.02212 -0.00263 -0.00404 0.00162 42 4ZZ 0.00575 -0.01851 -0.00222 -0.00470 0.00847 43 4XY 0.01179 0.01093 0.01300 0.00593 0.00777 44 4XZ 0.00619 -0.01088 0.00236 0.00062 -0.00587 45 4YZ 0.01996 0.01501 0.01318 -0.00466 -0.00688 46 4 C 1S 0.04247 0.02516 0.01175 0.00099 -0.00753 47 2S -0.04861 -0.02439 -0.00762 -0.00883 -0.00490 48 2PX 0.03238 0.14626 0.02916 -0.00402 0.00999 49 2PY 0.32590 -0.14215 -0.07103 -0.06989 -0.01890 50 2PZ 0.12552 0.20178 0.02882 0.00684 -0.05847 51 3S -0.69552 -0.42733 -0.49267 -0.01370 0.20470 52 3PX 0.14533 0.58979 -0.15245 -0.00259 0.00974 53 3PY 1.37287 -0.47710 -0.29474 -0.28805 -0.14399 54 3PZ 0.45328 0.90090 0.04831 0.03161 -0.24743 55 4XX -0.01494 0.00164 -0.00573 0.00479 -0.00054 56 4YY 0.02628 -0.00810 0.01241 -0.00497 -0.00126 57 4ZZ -0.00596 0.01032 -0.00591 -0.00218 -0.00275 58 4XY 0.00264 0.00240 0.00662 0.00051 0.00135 59 4XZ -0.00093 0.01344 -0.00627 0.00208 0.01221 60 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 61 5 C 1S -0.04247 -0.02516 0.01175 -0.00099 0.00753 62 2S 0.04861 0.02439 -0.00762 0.00883 0.00490 63 2PX -0.03238 -0.14627 0.02917 0.00402 -0.00999 64 2PY 0.32592 -0.14211 0.07102 -0.06989 -0.01891 65 2PZ -0.12547 -0.20181 0.02884 -0.00686 0.05846 66 3S 0.69553 0.42732 -0.49268 0.01370 -0.20470 67 3PX -0.14533 -0.58979 -0.15244 0.00259 -0.00974 68 3PY 1.37295 -0.47694 0.29474 -0.28804 -0.14403 69 3PZ -0.45306 -0.90098 0.04837 -0.03166 0.24741 70 4XX 0.01494 -0.00164 -0.00573 -0.00479 0.00054 71 4YY -0.02628 0.00810 0.01240 0.00498 0.00126 72 4ZZ 0.00596 -0.01032 -0.00590 0.00218 0.00275 73 4XY 0.00264 0.00240 -0.00662 0.00051 0.00136 74 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 75 4YZ 0.00508 0.00512 0.02348 -0.00169 -0.00198 76 6 C 1S -0.00502 0.05458 0.04993 0.01183 -0.00112 77 2S -0.01910 -0.06382 -0.05071 -0.01457 -0.03162 78 2PX -0.03121 0.03930 0.16617 0.08599 -0.01370 79 2PY -0.04681 -0.04805 -0.13034 0.02966 -0.00220 80 2PZ 0.03007 -0.15529 0.17503 -0.02967 0.00024 81 3S 0.41606 -1.37439 -1.44222 -0.20221 0.12326 82 3PX -0.26619 0.06226 1.06987 -0.07215 0.13163 83 3PY -0.13591 -0.13857 -0.85998 0.07400 0.14648 84 3PZ -0.13968 -0.67792 1.01344 -0.10932 0.14442 85 4XX -0.00287 0.00928 0.01015 -0.00493 0.00617 86 4YY 0.00719 -0.02213 -0.00263 0.00404 -0.00162 87 4ZZ -0.00575 0.01851 -0.00223 0.00470 -0.00847 88 4XY 0.01179 0.01093 -0.01300 0.00593 0.00777 89 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 90 4YZ 0.01997 0.01500 -0.01318 -0.00466 -0.00688 91 7 H 1S -0.00070 -0.06447 0.08431 -0.04222 0.00085 92 2S -0.70174 -0.13193 0.19510 -0.06215 -0.05947 93 8 H 1S 0.00070 0.06447 0.08431 0.04222 -0.00085 94 2S 0.70174 0.13193 0.19510 0.06215 0.05947 95 9 H 1S -0.04858 0.09263 -0.02683 -0.01844 -0.00913 96 2S 0.14694 -0.07472 -0.43579 -0.18359 -0.11046 97 10 H 1S -0.05918 0.00898 -0.03395 0.01518 0.03026 98 2S -0.65899 -0.47089 0.15168 0.11689 0.11295 99 11 H 1S 0.05918 -0.00898 -0.03395 -0.01518 -0.03026 100 2S 0.65899 0.47089 0.15168 -0.11689 -0.11295 101 12 H 1S 0.04858 -0.09263 -0.02683 0.01844 0.00913 102 2S -0.14694 0.07471 -0.43579 0.18359 0.11046 103 13 H 1S 0.03645 0.01799 -0.04194 -0.00550 0.02145 104 2S 0.53284 -0.09843 0.07689 -0.09632 -0.19821 105 14 H 1S -0.03645 -0.01799 -0.04194 0.00550 -0.02145 106 2S -0.53284 0.09843 0.07689 0.09632 0.19821 107 15 C 1S -0.00707 -0.00782 -0.00108 -0.02272 -0.11316 108 2S -0.00514 0.00678 -0.00359 -0.00747 0.12507 109 2PX -0.02774 0.03855 -0.00298 -0.12826 0.15943 110 2PY 0.04318 -0.00895 0.00520 0.24084 0.14949 111 2PZ 0.00627 -0.05664 0.01930 -0.08468 0.22709 112 3S 0.28474 0.09040 -0.02080 1.25384 2.60207 113 3PX -0.05063 0.02082 -0.03795 -0.70811 1.07755 114 3PY 0.29441 -0.17658 0.02074 1.79276 1.77010 115 3PZ 0.02145 -0.08867 -0.02233 -0.29481 0.98300 116 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 117 4YY -0.00600 -0.00273 0.00030 -0.02512 -0.02342 118 4ZZ 0.00244 -0.00104 0.00005 0.00402 0.01367 119 4XY 0.00176 0.00144 0.00388 0.00482 0.00227 120 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 121 4YZ 0.00090 0.00266 -0.00372 -0.00093 -0.00424 122 16 C 1S 0.00707 0.00782 -0.00108 0.02272 0.11316 123 2S 0.00513 -0.00678 -0.00359 0.00747 -0.12507 124 2PX 0.02774 -0.03855 -0.00297 0.12827 -0.15943 125 2PY 0.04318 -0.00895 -0.00520 0.24082 0.14952 126 2PZ -0.00627 0.05664 0.01930 0.08472 -0.22706 127 3S -0.28474 -0.09040 -0.02080 -1.25384 -2.60207 128 3PX 0.05063 -0.02082 -0.03795 0.70810 -1.07755 129 3PY 0.29442 -0.17660 -0.02074 1.79271 1.77026 130 3PZ -0.02140 0.08864 -0.02234 0.29511 -0.98270 131 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 132 4YY 0.00600 0.00273 0.00030 0.02512 0.02342 133 4ZZ -0.00244 0.00104 0.00005 -0.00402 -0.01367 134 4XY 0.00177 0.00144 -0.00388 0.00482 0.00227 135 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 136 4YZ 0.00090 0.00266 0.00372 -0.00092 -0.00423 137 17 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 138 2S 0.00000 0.00000 -0.02252 0.00000 0.00000 139 2PX 0.00000 0.00000 -0.00888 0.00000 0.00000 140 2PY 0.09125 0.07179 0.00000 -0.03526 0.31611 141 2PZ 0.00001 0.00001 0.02874 0.00000 0.00003 142 3S 0.00000 0.00000 -0.05185 0.00000 0.00000 143 3PX 0.00000 0.00000 0.03585 0.00000 0.00000 144 3PY -0.07852 0.09355 -0.00001 -0.95929 -0.10081 145 3PZ -0.00001 0.00001 0.05967 -0.00008 -0.00001 146 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 149 4XY 0.00726 0.00631 0.00000 -0.00644 0.01097 150 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 151 4YZ 0.00156 0.00332 0.00000 -0.00987 0.01510 152 18 H 1S -0.00774 0.01323 -0.01278 -0.02444 0.06638 153 2S -0.09422 0.28186 0.02669 -0.34192 -0.96147 154 19 H 1S 0.00000 0.00000 0.00723 0.00000 0.00000 155 2S 0.00000 0.00000 -0.06127 0.00000 0.00000 156 20 H 1S 0.00774 -0.01323 -0.01278 0.02444 -0.06638 157 2S 0.09422 -0.28186 0.02670 0.34192 0.96147 158 21 O 1S -0.00214 0.00067 -0.00131 -0.01840 0.04211 159 2S 0.00236 -0.01328 -0.02280 0.05335 -0.03818 160 2PX 0.01728 0.03930 0.03685 -0.18590 0.17936 161 2PY 0.00799 0.02597 0.03326 -0.08116 -0.01777 162 2PZ -0.03256 0.00828 -0.01284 -0.15782 0.16682 163 3S 0.00740 0.01948 0.09574 0.17069 -0.92177 164 3PX -0.01097 0.04493 0.00254 -0.44733 0.39734 165 3PY -0.01787 0.03110 0.03094 -0.21307 -0.29192 166 3PZ -0.04119 0.04894 -0.00676 -0.41047 0.27631 167 4XX -0.00244 -0.00765 -0.00359 0.00468 0.02430 168 4YY -0.00397 -0.00386 -0.00885 -0.00901 -0.00077 169 4ZZ 0.00187 0.00047 -0.01008 0.00491 0.01832 170 4XY -0.00586 0.00003 0.00149 -0.02044 -0.02167 171 4XZ -0.00771 -0.00505 -0.00142 0.00122 -0.01204 172 4YZ -0.00537 -0.00457 -0.00267 -0.01789 -0.01720 173 22 O 1S 0.00214 -0.00067 -0.00131 0.01840 -0.04211 174 2S -0.00236 0.01328 -0.02280 -0.05335 0.03818 175 2PX -0.01728 -0.03930 0.03685 0.18590 -0.17936 176 2PY 0.00799 0.02597 -0.03326 -0.08118 -0.01774 177 2PZ 0.03256 -0.00828 -0.01285 0.15780 -0.16682 178 3S -0.00740 -0.01948 0.09574 -0.17069 0.92177 179 3PX 0.01097 -0.04493 0.00254 0.44733 -0.39734 180 3PY -0.01788 0.03111 -0.03094 -0.21314 -0.29187 181 3PZ 0.04118 -0.04893 -0.00676 0.41044 -0.27636 182 4XX 0.00244 0.00765 -0.00359 -0.00468 -0.02430 183 4YY 0.00397 0.00386 -0.00885 0.00902 0.00078 184 4ZZ -0.00188 -0.00047 -0.01008 -0.00492 -0.01833 185 4XY -0.00587 0.00003 -0.00149 -0.02044 -0.02167 186 4XZ 0.00771 0.00505 -0.00142 -0.00122 0.01204 187 4YZ -0.00537 -0.00457 0.00267 -0.01789 -0.01720 188 23 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 189 2S 0.00000 0.00000 0.04273 0.00000 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50830 1 1 C 1S -0.09297 -0.00201 0.03357 -0.00378 -0.00424 2 2S 0.03027 -0.05807 -0.01630 0.06496 -0.33227 3 2PX 0.04080 -0.09832 -0.16368 0.12707 -0.08379 4 2PY 0.15074 -0.04980 0.22078 -0.24791 -0.03594 5 2PZ 0.11609 0.12613 -0.11091 0.13660 -0.06440 6 3S 3.56246 0.19086 -1.45067 -0.00098 0.36895 7 3PX 1.02295 0.08340 -1.81193 -0.14165 0.06500 8 3PY 2.25607 -0.03302 1.70956 0.36907 0.01924 9 3PZ 1.26285 -0.11803 -1.45101 -0.15617 0.07953 10 4XX 0.00255 0.00697 0.01396 0.01030 -0.00993 11 4YY -0.00686 -0.00883 -0.02035 -0.02338 -0.04662 12 4ZZ 0.00742 -0.00205 -0.00210 0.01747 -0.01514 13 4XY -0.00892 0.00697 0.00316 -0.01909 0.00376 14 4XZ 0.00498 -0.00169 0.00251 0.01943 -0.03192 15 4YZ -0.00824 0.00591 0.00460 -0.01976 0.00080 16 2 C 1S 0.09297 -0.00201 -0.03357 -0.00378 -0.00424 17 2S -0.03027 -0.05807 0.01630 0.06496 -0.33227 18 2PX -0.04080 -0.09831 0.16368 0.12707 -0.08379 19 2PY 0.15076 0.04979 0.22076 0.24789 0.03595 20 2PZ -0.11606 0.12614 0.11094 0.13664 -0.06440 21 3S -3.56246 0.19092 1.45066 -0.00097 0.36895 22 3PX -1.02294 0.08346 1.81194 -0.14165 0.06500 23 3PY 2.25629 0.03309 1.70930 -0.36905 -0.01926 24 3PZ -1.26248 -0.11797 1.45130 -0.15623 0.07953 25 4XX -0.00255 0.00697 -0.01396 0.01030 -0.00993 26 4YY 0.00686 -0.00882 0.02035 -0.02339 -0.04662 27 4ZZ -0.00742 -0.00206 0.00210 0.01748 -0.01514 28 4XY -0.00892 -0.00696 0.00316 0.01909 -0.00376 29 4XZ -0.00498 -0.00169 -0.00251 0.01944 -0.03192 30 4YZ -0.00824 -0.00592 0.00461 0.01975 -0.00081 31 3 C 1S -0.08006 0.00722 0.04116 -0.00014 -0.00066 32 2S 0.05679 -0.09493 0.01175 0.02361 -0.13254 33 2PX 0.11023 -0.04990 0.05357 -0.24898 0.09737 34 2PY -0.12927 0.06155 0.05970 0.00809 0.00595 35 2PZ 0.14487 -0.02279 0.19039 -0.19371 0.07367 36 3S 2.35127 0.00819 -2.13750 0.14983 -0.00473 37 3PX -0.28430 0.03970 1.64567 0.47751 -0.05962 38 3PY -1.87574 -0.04098 0.91901 0.00707 0.10325 39 3PZ 0.57147 0.19470 1.79581 0.34749 -0.17708 40 4XX -0.00039 -0.00234 0.02196 0.01143 -0.00869 41 4YY -0.00201 0.01230 -0.00825 -0.00915 -0.00644 42 4ZZ 0.00843 -0.02264 -0.01412 -0.01042 -0.00570 43 4XY -0.01699 -0.01243 0.00694 0.02815 -0.01018 44 4XZ 0.01030 -0.00885 0.01369 0.01366 -0.02765 45 4YZ -0.00523 0.01337 0.01282 0.02802 -0.00001 46 4 C 1S 0.05781 -0.00519 -0.00860 0.00041 0.00109 47 2S 0.02158 -0.06907 0.00009 0.06024 0.00094 48 2PX -0.01439 -0.16205 0.01035 0.07792 0.21391 49 2PY -0.02798 0.05303 -0.18918 -0.29529 -0.02150 50 2PZ 0.08587 0.16455 0.15361 0.04032 -0.00802 51 3S -1.82654 0.05271 0.03545 -0.21165 0.08723 52 3PX 0.50898 0.23945 -0.06437 -0.13889 -0.28036 53 3PY 0.40592 -0.05058 -1.14340 0.30662 0.05959 54 3PZ 1.62435 -0.14298 0.40049 -0.03669 -0.01693 55 4XX -0.01907 -0.00219 -0.00425 -0.01283 0.00774 56 4YY -0.00215 -0.01655 -0.00721 0.06120 0.00628 57 4ZZ 0.02746 -0.00827 0.01039 -0.03537 -0.00314 58 4XY -0.00208 -0.02134 0.00247 0.01223 0.02780 59 4XZ 0.01029 -0.02765 -0.02007 -0.00821 0.04329 60 4YZ 0.00175 0.01509 -0.00795 0.01223 -0.00195 61 5 C 1S -0.05781 -0.00519 0.00860 0.00041 0.00109 62 2S -0.02158 -0.06907 -0.00009 0.06024 0.00094 63 2PX 0.01439 -0.16205 -0.01035 0.07792 0.21391 64 2PY -0.02797 -0.05306 -0.18915 0.29529 0.02150 65 2PZ -0.08587 0.16454 -0.15364 0.04037 -0.00801 66 3S 1.82654 0.05271 -0.03545 -0.21165 0.08723 67 3PX -0.50898 0.23945 0.06436 -0.13889 -0.28036 68 3PY 0.40620 0.05056 -1.14333 -0.30661 -0.05959 69 3PZ -1.62428 -0.14298 -0.40067 -0.03674 -0.01694 70 4XX 0.01907 -0.00219 0.00425 -0.01283 0.00774 71 4YY 0.00215 -0.01654 0.00721 0.06121 0.00628 72 4ZZ -0.02746 -0.00827 -0.01039 -0.03538 -0.00314 73 4XY -0.00208 0.02135 0.00247 -0.01223 -0.02780 74 4XZ -0.01029 -0.02765 0.02007 -0.00821 0.04329 75 4YZ 0.00175 -0.01509 -0.00794 -0.01221 0.00195 76 6 C 1S 0.08006 0.00722 -0.04116 -0.00014 -0.00066 77 2S -0.05679 -0.09493 -0.01175 0.02361 -0.13254 78 2PX -0.11023 -0.04991 -0.05357 -0.24898 0.09737 79 2PY -0.12925 -0.06154 0.05974 -0.00806 -0.00596 80 2PZ -0.14489 -0.02281 -0.19038 -0.19371 0.07367 81 3S -2.35127 0.00826 2.13750 0.14983 -0.00473 82 3PX 0.28429 0.03964 -1.64567 0.47751 -0.05963 83 3PY -1.87565 0.04098 0.91932 -0.00713 -0.10322 84 3PZ -0.57178 0.19465 -1.79567 0.34750 -0.17710 85 4XX 0.00039 -0.00235 -0.02196 0.01143 -0.00869 86 4YY 0.00201 0.01230 0.00825 -0.00914 -0.00644 87 4ZZ -0.00843 -0.02264 0.01413 -0.01043 -0.00570 88 4XY -0.01699 0.01243 0.00694 -0.02815 0.01019 89 4XZ -0.01030 -0.00885 -0.01369 0.01365 -0.02765 90 4YZ -0.00523 -0.01336 0.01282 -0.02802 0.00001 91 7 H 1S -0.04078 0.00360 0.03607 -0.01154 -0.07765 92 2S 1.03640 -0.07839 -0.42445 0.04205 -0.04264 93 8 H 1S 0.04078 0.00360 -0.03607 -0.01154 -0.07765 94 2S -1.03639 -0.07837 0.42445 0.04205 -0.04264 95 9 H 1S -0.08373 0.07551 -0.03348 -0.01005 -0.02086 96 2S 0.74068 0.00037 -0.21711 -0.02504 -0.07773 97 10 H 1S -0.05309 -0.08392 -0.07743 -0.02363 0.14629 98 2S -0.17286 -0.08893 0.11364 0.07984 0.02159 99 11 H 1S 0.05309 -0.08391 0.07743 -0.02363 0.14629 100 2S 0.17286 -0.08894 -0.11364 0.07984 0.02159 101 12 H 1S 0.08373 0.07551 0.03348 -0.01005 -0.02086 102 2S -0.74069 0.00038 0.21711 -0.02504 -0.07773 103 13 H 1S 0.05923 0.13984 -0.06618 -0.02977 -0.17007 104 2S 0.28289 -0.06699 0.03726 0.04889 0.06074 105 14 H 1S -0.05923 0.13985 0.06617 -0.02977 -0.17007 106 2S -0.28289 -0.06699 -0.03726 0.04889 0.06074 107 15 C 1S -0.00851 -0.00398 -0.00859 0.00102 -0.02782 108 2S 0.00020 -0.21680 0.06365 -0.08097 -0.01551 109 2PX 0.01228 0.05395 0.10261 -0.19445 0.16422 110 2PY 0.01548 -0.31632 -0.06959 0.02027 -0.20528 111 2PZ -0.02133 0.10349 0.11323 0.10946 0.29643 112 3S 0.24230 0.06161 -0.06708 0.02899 0.07285 113 3PX -0.06028 -0.04799 0.10796 0.22596 -0.16291 114 3PY 0.09739 0.42496 -0.15073 0.02393 0.19061 115 3PZ 0.03028 -0.22591 0.09965 -0.13176 -0.32421 116 4XX 0.00106 0.00757 0.00261 -0.00457 0.00939 117 4YY -0.00314 -0.07466 0.00906 -0.00698 -0.01799 118 4ZZ 0.00220 0.02591 -0.00882 -0.00177 -0.03214 119 4XY 0.00293 -0.00272 -0.00245 -0.01435 0.02750 120 4XZ 0.00122 -0.02770 -0.00470 -0.00534 -0.02621 121 4YZ 0.00143 -0.00265 0.00129 -0.02036 -0.00775 122 16 C 1S 0.00851 -0.00398 0.00859 0.00102 -0.02782 123 2S -0.00020 -0.21680 -0.06364 -0.08097 -0.01551 124 2PX -0.01228 0.05395 -0.10261 -0.19445 0.16422 125 2PY 0.01548 0.31630 -0.06958 -0.02029 0.20523 126 2PZ 0.02134 0.10354 -0.11324 0.10946 0.29647 127 3S -0.24230 0.06161 0.06707 0.02898 0.07285 128 3PX 0.06028 -0.04799 -0.10796 0.22596 -0.16291 129 3PY 0.09739 -0.42492 -0.15070 -0.02390 -0.19056 130 3PZ -0.03027 -0.22598 -0.09967 -0.13177 -0.32424 131 4XX -0.00106 0.00757 -0.00261 -0.00457 0.00939 132 4YY 0.00313 -0.07466 -0.00905 -0.00699 -0.01799 133 4ZZ -0.00220 0.02591 0.00882 -0.00177 -0.03214 134 4XY 0.00293 0.00273 -0.00245 0.01435 -0.02750 135 4XZ -0.00122 -0.02770 0.00470 -0.00534 -0.02621 136 4YZ 0.00143 0.00263 0.00128 0.02036 0.00775 137 17 C 1S 0.00000 0.01004 0.00000 0.00756 -0.01609 138 2S 0.00000 -0.36575 0.00001 -0.00673 0.09793 139 2PX 0.00000 0.37671 -0.00001 -0.13864 -0.29035 140 2PY 0.10843 -0.00003 0.00495 -0.00001 0.00000 141 2PZ 0.00001 0.31870 -0.00001 0.05627 0.03597 142 3S 0.00000 0.91964 -0.00002 -0.07167 -0.12244 143 3PX 0.00000 -0.79804 0.00002 0.39768 0.43635 144 3PY -0.12639 0.00006 0.10561 0.00001 0.00003 145 3PZ -0.00001 -0.71020 0.00002 -0.12293 -0.34443 146 4XX 0.00000 -0.01088 0.00000 -0.02611 -0.03732 147 4YY 0.00000 0.03632 0.00000 0.00514 0.00493 148 4ZZ 0.00000 -0.01435 0.00000 0.02865 0.01858 149 4XY 0.00484 0.00000 -0.00375 0.00000 0.00000 150 4XZ 0.00000 -0.01529 0.00000 0.01364 -0.00822 151 4YZ 0.00822 0.00000 -0.00877 0.00000 0.00000 152 18 H 1S 0.00191 -0.07819 0.02194 -0.08484 -0.19783 153 2S 0.07238 -0.02443 -0.03000 0.08760 -0.04188 154 19 H 1S 0.00000 0.03702 0.00000 0.07919 0.08964 155 2S 0.00000 0.00407 0.00000 0.07708 0.24458 156 20 H 1S -0.00191 -0.07820 -0.02194 -0.08484 -0.19783 157 2S -0.07238 -0.02443 0.03000 0.08761 -0.04188 158 21 O 1S 0.00186 0.01080 0.00849 -0.00174 0.01452 159 2S -0.02440 0.05184 0.01339 -0.03066 -0.13482 160 2PX 0.04319 0.06607 0.01177 -0.02348 -0.00452 161 2PY 0.02800 0.08564 -0.04253 0.07266 -0.11358 162 2PZ -0.01783 0.04854 0.07972 0.00510 0.13819 163 3S -0.02136 -0.49419 -0.13229 0.07026 0.26418 164 3PX -0.00347 -0.04423 0.11388 -0.07298 -0.06762 165 3PY -0.01733 -0.33907 0.01452 -0.01389 0.01204 166 3PZ -0.00914 -0.00444 0.06746 0.07318 0.03810 167 4XX -0.00512 0.05358 0.01305 -0.00815 -0.01021 168 4YY -0.01149 -0.05525 0.01115 -0.01384 -0.02059 169 4ZZ -0.00653 0.04798 0.01701 -0.02074 -0.02284 170 4XY -0.00422 -0.02184 -0.00797 0.01260 -0.00405 171 4XZ -0.00977 -0.01921 0.01774 -0.01579 0.03916 172 4YZ -0.00900 -0.02335 0.00248 0.00084 -0.00754 173 22 O 1S -0.00186 0.01080 -0.00849 -0.00174 0.01452 174 2S 0.02440 0.05184 -0.01340 -0.03067 -0.13482 175 2PX -0.04319 0.06607 -0.01177 -0.02348 -0.00452 176 2PY 0.02800 -0.08565 -0.04251 -0.07266 0.11356 177 2PZ 0.01783 0.04852 -0.07973 0.00508 0.13821 178 3S 0.02136 -0.49419 0.13230 0.07026 0.26418 179 3PX 0.00347 -0.04424 -0.11388 -0.07298 -0.06763 180 3PY -0.01733 0.33907 0.01452 0.01388 -0.01205 181 3PZ 0.00913 -0.00438 -0.06746 0.07318 0.03809 182 4XX 0.00512 0.05358 -0.01305 -0.00815 -0.01021 183 4YY 0.01150 -0.05525 -0.01115 -0.01384 -0.02059 184 4ZZ 0.00653 0.04799 -0.01701 -0.02074 -0.02284 185 4XY -0.00422 0.02184 -0.00796 -0.01260 0.00404 186 4XZ 0.00977 -0.01920 -0.01774 -0.01579 0.03916 187 4YZ -0.00900 0.02333 0.00248 -0.00084 0.00755 188 23 H 1S 0.00000 0.05634 0.00000 -0.11197 -0.15010 189 2S 0.00000 0.05052 0.00000 -0.09423 -0.07488 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54653 0.54787 0.54867 0.56891 1 1 C 1S -0.00606 -0.00087 0.00970 -0.00162 -0.04594 2 2S -0.17991 0.02065 0.09715 0.18999 -0.09134 3 2PX 0.01262 -0.01977 0.01764 -0.19936 0.01974 4 2PY -0.18846 -0.05074 -0.00118 0.09629 0.23843 5 2PZ 0.04496 0.03794 -0.16548 0.26822 -0.07350 6 3S 0.37946 0.05698 -0.15468 -0.27868 0.97573 7 3PX 0.09677 0.01579 -0.00233 0.05830 0.66281 8 3PY 0.22958 0.14576 -0.03781 -0.19677 -0.32660 9 3PZ -0.04087 0.00552 0.14510 -0.27129 0.61402 10 4XX 0.01531 -0.00515 -0.00696 0.00157 0.01362 11 4YY -0.04916 0.01491 0.01351 0.04496 -0.06037 12 4ZZ 0.00329 -0.00252 0.02890 -0.01507 -0.00266 13 4XY 0.00936 -0.00418 0.03011 -0.01831 0.00516 14 4XZ -0.00370 0.00465 0.04123 -0.00959 -0.03635 15 4YZ 0.00032 -0.00401 0.03193 0.00177 0.00601 16 2 C 1S -0.00606 0.00087 0.00970 -0.00162 0.04594 17 2S -0.17991 -0.02064 0.09715 0.18999 0.09134 18 2PX 0.01262 0.01977 0.01764 -0.19936 -0.01975 19 2PY 0.18845 -0.05074 0.00121 -0.09633 0.23841 20 2PZ 0.04499 -0.03793 -0.16548 0.26821 0.07354 21 3S 0.37945 -0.05698 -0.15468 -0.27867 -0.97573 22 3PX 0.09677 -0.01579 -0.00234 0.05831 -0.66281 23 3PY -0.22957 0.14576 0.03778 0.19681 -0.32649 24 3PZ -0.04091 -0.00551 0.14510 -0.27126 -0.61408 25 4XX 0.01531 0.00515 -0.00696 0.00157 -0.01362 26 4YY -0.04916 -0.01491 0.01352 0.04496 0.06037 27 4ZZ 0.00329 0.00251 0.02889 -0.01507 0.00266 28 4XY -0.00936 -0.00417 -0.03012 0.01831 0.00515 29 4XZ -0.00370 -0.00465 0.04122 -0.00959 0.03635 30 4YZ -0.00033 -0.00401 -0.03194 -0.00176 0.00602 31 3 C 1S 0.00900 -0.00573 -0.00059 0.00295 -0.01425 32 2S -0.00222 0.04220 -0.05167 -0.00451 0.08408 33 2PX 0.10644 0.08836 -0.06910 -0.10157 -0.31257 34 2PY -0.03798 -0.07515 0.15445 0.08879 0.03791 35 2PZ -0.12385 0.08029 -0.04274 0.04520 -0.10966 36 3S -0.34157 -0.12849 0.16744 0.27600 1.12945 37 3PX -0.14056 -0.16517 0.18601 0.04849 0.10003 38 3PY 0.32856 0.13194 -0.27380 -0.41120 -0.75570 39 3PZ 0.35719 0.01522 0.02021 -0.03818 -0.21570 40 4XX 0.01346 0.00386 -0.02919 0.00063 -0.00196 41 4YY 0.01940 -0.00485 0.05566 -0.00786 0.01824 42 4ZZ -0.02599 0.00239 -0.03662 0.01730 0.00644 43 4XY 0.00180 0.00195 0.00007 -0.01283 0.00478 44 4XZ -0.01481 -0.00896 -0.00274 0.02603 0.04072 45 4YZ 0.03559 0.01209 -0.01248 -0.01925 -0.02385 46 4 C 1S 0.00316 0.00388 0.00068 0.00096 -0.00265 47 2S -0.11648 -0.04276 -0.06186 0.09981 0.11667 48 2PX 0.01444 0.10522 0.06428 -0.23210 -0.04357 49 2PY -0.07442 0.07389 0.19290 -0.06802 0.05802 50 2PZ 0.27277 0.11205 0.09827 -0.27092 -0.16940 51 3S 0.15267 0.28498 -0.17601 -0.21722 -0.56040 52 3PX 0.00047 0.04622 -0.11771 0.26118 0.31136 53 3PY 0.04457 -0.15975 -0.25146 0.12015 0.31014 54 3PZ -0.32959 -0.08424 -0.05941 0.35104 0.42712 55 4XX 0.00287 -0.00995 0.02643 -0.03047 -0.00338 56 4YY -0.00477 0.00935 -0.04677 0.02871 0.00367 57 4ZZ -0.01540 0.00898 -0.00717 0.01714 -0.00004 58 4XY -0.00626 -0.00236 0.02245 -0.01529 -0.00001 59 4XZ -0.02149 0.00649 0.00206 -0.01423 -0.01262 60 4YZ 0.00579 -0.00419 0.03313 0.01481 0.00833 61 5 C 1S 0.00316 -0.00388 0.00068 0.00096 0.00265 62 2S -0.11648 0.04277 -0.06186 0.09981 -0.11667 63 2PX 0.01445 -0.10523 0.06428 -0.23210 0.04357 64 2PY 0.07438 0.07391 -0.19291 0.06807 0.05800 65 2PZ 0.27278 -0.11205 0.09824 -0.27090 0.16942 66 3S 0.15267 -0.28498 -0.17602 -0.21721 0.56041 67 3PX 0.00047 -0.04621 -0.11771 0.26119 -0.31136 68 3PY -0.04452 -0.15978 0.25147 -0.12020 0.31020 69 3PZ -0.32960 0.08423 -0.05936 0.35102 -0.42707 70 4XX 0.00287 0.00994 0.02643 -0.03048 0.00338 71 4YY -0.00476 -0.00935 -0.04676 0.02871 -0.00367 72 4ZZ -0.01540 -0.00898 -0.00718 0.01714 0.00004 73 4XY 0.00627 -0.00236 -0.02245 0.01529 -0.00001 74 4XZ -0.02149 -0.00649 0.00206 -0.01423 0.01262 75 4YZ -0.00579 -0.00419 -0.03314 -0.01480 0.00833 76 6 C 1S 0.00900 0.00573 -0.00059 0.00295 0.01425 77 2S -0.00222 -0.04220 -0.05167 -0.00451 -0.08408 78 2PX 0.10644 -0.08837 -0.06910 -0.10157 0.31257 79 2PY 0.03800 -0.07513 -0.15444 -0.08880 0.03789 80 2PZ -0.12384 -0.08030 -0.04277 0.04519 0.10967 81 3S -0.34157 0.12849 0.16743 0.27600 -1.12945 82 3PX -0.14056 0.16517 0.18601 0.04849 -0.10004 83 3PY -0.32862 0.13195 0.27380 0.41120 -0.75574 84 3PZ 0.35713 -0.01520 0.02026 -0.03811 0.21557 85 4XX 0.01346 -0.00386 -0.02919 0.00063 0.00196 86 4YY 0.01941 0.00485 0.05565 -0.00787 -0.01823 87 4ZZ -0.02600 -0.00239 -0.03662 0.01730 -0.00645 88 4XY -0.00179 0.00195 -0.00007 0.01283 0.00479 89 4XZ -0.01481 0.00896 -0.00274 0.02603 -0.04072 90 4YZ -0.03558 0.01210 0.01250 0.01925 -0.02385 91 7 H 1S -0.01074 0.01984 0.26219 -0.05718 -0.16823 92 2S -0.04800 0.06549 -0.11991 0.01411 0.20197 93 8 H 1S -0.01074 -0.01985 0.26219 -0.05718 0.16823 94 2S -0.04800 -0.06548 -0.11991 0.01411 -0.20197 95 9 H 1S 0.04054 -0.05754 0.26301 -0.01772 0.11270 96 2S -0.13430 -0.00639 -0.08709 0.20366 0.24333 97 10 H 1S -0.00184 -0.01441 0.15749 -0.13232 -0.08359 98 2S -0.01814 -0.15945 0.00892 0.10856 -0.22198 99 11 H 1S -0.00184 0.01441 0.15749 -0.13232 0.08358 100 2S -0.01814 0.15945 0.00892 0.10855 0.22198 101 12 H 1S 0.04054 0.05753 0.26301 -0.01772 -0.11271 102 2S -0.13430 0.00640 -0.08709 0.20366 -0.24333 103 13 H 1S 0.06271 0.00692 0.06192 0.05795 -0.06038 104 2S -0.05191 -0.04576 -0.01776 -0.02802 -0.01689 105 14 H 1S 0.06271 -0.00692 0.06192 0.05795 0.06038 106 2S -0.05191 0.04576 -0.01776 -0.02803 0.01689 107 15 C 1S -0.00944 -0.04597 -0.00661 -0.02133 -0.01978 108 2S 0.01700 0.04464 -0.16620 0.00689 0.08455 109 2PX 0.33505 -0.14721 -0.29037 0.00119 0.43675 110 2PY -0.06249 0.18018 -0.13176 -0.18634 -0.07034 111 2PZ -0.13090 0.03245 0.02834 0.07925 0.05742 112 3S -0.14340 1.08407 0.00831 -0.13920 0.12616 113 3PX -0.40212 0.68418 0.54104 0.14204 -0.89787 114 3PY 0.19255 0.72425 0.38037 0.35562 0.13514 115 3PZ 0.17637 0.27195 0.15225 -0.03099 -0.07754 116 4XX -0.02496 0.00942 -0.00439 0.00147 -0.01655 117 4YY 0.00107 -0.02169 -0.03088 -0.00931 0.00731 118 4ZZ 0.00253 0.00996 0.01537 -0.00806 -0.02194 119 4XY 0.02333 -0.01326 -0.04771 -0.00788 -0.00656 120 4XZ -0.01118 -0.01144 -0.01525 -0.02017 -0.02834 121 4YZ 0.02613 -0.01531 -0.00189 -0.00882 0.00055 122 16 C 1S -0.00944 0.04597 -0.00661 -0.02133 0.01978 123 2S 0.01700 -0.04464 -0.16620 0.00689 -0.08456 124 2PX 0.33505 0.14722 -0.29037 0.00118 -0.43676 125 2PY 0.06251 0.18018 0.13176 0.18632 -0.07033 126 2PZ -0.13089 -0.03242 0.02836 0.07928 -0.05743 127 3S -0.14340 -1.08407 0.00827 -0.13916 -0.12615 128 3PX -0.40213 -0.68419 0.54102 0.14206 0.89788 129 3PY -0.19258 0.72430 -0.38037 -0.35563 0.13513 130 3PZ 0.17634 -0.27183 0.15218 -0.03104 0.07756 131 4XX -0.02496 -0.00942 -0.00439 0.00147 0.01655 132 4YY 0.00107 0.02170 -0.03088 -0.00931 -0.00731 133 4ZZ 0.00252 -0.00997 0.01537 -0.00806 0.02194 134 4XY -0.02333 -0.01326 0.04772 0.00788 -0.00656 135 4XZ -0.01118 0.01143 -0.01525 -0.02017 0.02834 136 4YZ -0.02613 -0.01530 0.00188 0.00882 0.00054 137 17 C 1S -0.01514 0.00000 -0.00363 -0.02239 0.00000 138 2S 0.14615 0.00000 0.13375 0.25146 0.00000 139 2PX -0.06754 0.00000 -0.17583 -0.28112 0.00000 140 2PY 0.00004 -0.85348 0.00000 0.00004 -0.25765 141 2PZ -0.45846 -0.00007 -0.22650 -0.30817 -0.00002 142 3S -0.30178 0.00000 -0.23283 -0.34894 0.00000 143 3PX 0.11479 0.00000 0.63416 0.66044 0.00000 144 3PY -0.00008 1.46684 -0.00004 -0.00010 0.53811 145 3PZ 0.94780 0.00013 0.72885 0.94604 0.00005 146 4XX 0.02772 0.00000 0.00798 0.01270 0.00000 147 4YY -0.03416 0.00001 -0.02558 -0.01960 0.00000 148 4ZZ -0.03183 -0.00001 0.00555 -0.02083 0.00000 149 4XY 0.00000 -0.04312 0.00000 0.00000 -0.03034 150 4XZ 0.00054 0.00000 0.03059 0.01646 0.00000 151 4YZ 0.00000 -0.05049 0.00000 0.00000 -0.02434 152 18 H 1S 0.09121 0.08755 0.00242 -0.12373 0.04089 153 2S 0.08667 -0.39141 0.31274 0.18559 0.03408 154 19 H 1S -0.16536 0.00000 -0.13073 -0.22985 0.00000 155 2S -0.22762 0.00000 -0.20071 -0.31329 0.00000 156 20 H 1S 0.09121 -0.08755 0.00242 -0.12373 -0.04090 157 2S 0.08668 0.39140 0.31276 0.18558 -0.03408 158 21 O 1S -0.00214 0.00737 0.00120 0.00434 0.00342 159 2S -0.13984 -0.09617 -0.01295 -0.15654 -0.07782 160 2PX 0.10179 -0.02723 -0.07679 0.02814 0.10068 161 2PY -0.15662 -0.21102 -0.03977 -0.11662 -0.14946 162 2PZ -0.08793 -0.05692 -0.03775 -0.04651 0.04622 163 3S 0.61701 0.27751 0.08037 0.56871 0.54585 164 3PX 0.00952 0.21854 0.05018 -0.01001 0.04144 165 3PY 0.19744 0.01608 0.02208 0.15442 0.09890 166 3PZ -0.12205 0.25868 0.06392 0.01249 -0.02108 167 4XX -0.04010 -0.02058 -0.01285 -0.03972 0.00342 168 4YY 0.00213 0.00017 0.02098 -0.00641 -0.01381 169 4ZZ -0.04400 -0.01479 -0.01039 -0.04210 0.00359 170 4XY -0.00353 0.05391 0.01830 0.01254 0.00364 171 4XZ 0.03596 0.01610 -0.01296 0.02836 0.05647 172 4YZ 0.00380 0.05931 0.02259 0.01780 -0.00426 173 22 O 1S -0.00214 -0.00737 0.00120 0.00434 -0.00342 174 2S -0.13984 0.09617 -0.01294 -0.15654 0.07782 175 2PX 0.10179 0.02723 -0.07679 0.02814 -0.10068 176 2PY 0.15664 -0.21102 0.03977 0.11663 -0.14945 177 2PZ -0.08790 0.05688 -0.03774 -0.04649 -0.04624 178 3S 0.61701 -0.27750 0.08036 0.56872 -0.54585 179 3PX 0.00952 -0.21854 0.05018 -0.01000 -0.04144 180 3PY -0.19742 0.01612 -0.02209 -0.15442 0.09889 181 3PZ -0.12208 -0.25868 0.06391 0.01247 0.02109 182 4XX -0.04010 0.02058 -0.01285 -0.03972 -0.00342 183 4YY 0.00213 -0.00019 0.02099 -0.00640 0.01381 184 4ZZ -0.04400 0.01481 -0.01039 -0.04211 -0.00359 185 4XY 0.00352 0.05392 -0.01830 -0.01254 0.00365 186 4XZ 0.03596 -0.01609 -0.01296 0.02836 -0.05647 187 4YZ -0.00379 0.05931 -0.02258 -0.01779 -0.00426 188 23 H 1S 0.06054 0.00000 -0.09371 -0.06885 0.00000 189 2S 0.03874 0.00000 -0.19609 -0.13655 0.00000 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S 0.02297 -0.01987 0.00852 -0.02372 0.02650 2 2S -0.06308 0.14436 0.12640 -0.22301 -0.02181 3 2PX -0.22302 -0.05258 -0.48239 0.08583 0.26954 4 2PY 0.28144 -0.11550 -0.06864 -0.17284 -0.07862 5 2PZ -0.12520 0.25480 0.26128 0.06420 -0.15252 6 3S -0.04686 -0.00759 -0.11504 0.67908 -0.29968 7 3PX 0.19927 0.31610 0.61772 0.09400 -0.61327 8 3PY -0.30222 -0.24881 0.23421 0.19763 -0.08378 9 3PZ 0.02636 0.02207 -0.09246 0.11239 -0.09996 10 4XX -0.01058 -0.00316 -0.01415 -0.02515 0.02656 11 4YY 0.02672 0.01809 0.00209 -0.04657 0.01844 12 4ZZ 0.00416 -0.00134 0.06271 0.00919 -0.02956 13 4XY -0.01575 0.00192 -0.02490 -0.01468 -0.01089 14 4XZ 0.01698 -0.01540 0.04334 -0.03473 0.01491 15 4YZ -0.02143 0.00097 0.02861 -0.02742 0.00042 16 2 C 1S 0.02297 0.01987 0.00852 -0.02372 -0.02650 17 2S -0.06308 -0.14435 0.12639 -0.22301 0.02181 18 2PX -0.22302 0.05259 -0.48239 0.08584 -0.26954 19 2PY -0.28143 -0.11547 0.06860 0.17282 -0.07864 20 2PZ -0.12525 -0.25483 0.26129 0.06421 0.15251 21 3S -0.04684 0.00756 -0.11504 0.67908 0.29969 22 3PX 0.19929 -0.31612 0.61772 0.09398 0.61327 23 3PY 0.30223 -0.24879 -0.23420 -0.19766 -0.08379 24 3PZ 0.02643 -0.02212 -0.09250 0.11235 0.09995 25 4XX -0.01057 0.00316 -0.01415 -0.02515 -0.02656 26 4YY 0.02671 -0.01809 0.00210 -0.04658 -0.01844 27 4ZZ 0.00416 0.00134 0.06270 0.00919 0.02956 28 4XY 0.01575 0.00192 0.02489 0.01469 -0.01089 29 4XZ 0.01698 0.01540 0.04334 -0.03473 -0.01491 30 4YZ 0.02143 0.00097 -0.02862 0.02741 0.00041 31 3 C 1S -0.04632 -0.03205 0.00299 0.02864 -0.00125 32 2S 0.00217 -0.03533 0.14763 -0.06679 0.05547 33 2PX 0.02266 0.01881 -0.15826 -0.19101 -0.12212 34 2PY -0.11245 -0.11476 -0.06945 -0.08339 0.01315 35 2PZ 0.00280 -0.12855 0.05821 0.22818 0.47156 36 3S -0.11876 -0.08068 -0.47104 -0.23631 -0.47045 37 3PX -0.30232 -0.45288 0.09814 0.42903 0.18797 38 3PY 0.07635 0.24747 0.41808 0.77737 0.26982 39 3PZ -0.12631 -0.32265 -0.05046 -0.09673 -0.60595 40 4XX 0.02318 0.01962 0.01649 0.03104 0.01821 41 4YY -0.03221 -0.03854 0.02960 -0.03257 -0.01886 42 4ZZ -0.04532 -0.03157 -0.02862 0.01866 0.00444 43 4XY -0.03577 -0.02177 0.02096 0.01419 0.02065 44 4XZ -0.06397 -0.05133 -0.02245 0.00526 -0.01099 45 4YZ 0.01035 0.03618 -0.02630 -0.01176 -0.01810 46 4 C 1S 0.01475 0.00271 0.00444 -0.00859 0.02528 47 2S -0.12540 -0.14552 -0.01706 -0.01993 -0.23406 48 2PX 0.00937 0.09582 0.16360 0.06160 0.07822 49 2PY -0.24634 0.04724 0.05457 0.33688 0.31951 50 2PZ 0.33537 0.38614 0.05338 0.02700 -0.01526 51 3S 0.33035 0.51277 0.01858 -0.10272 1.00038 52 3PX 0.05092 -0.20295 -0.29580 -0.19856 -0.18670 53 3PY 0.35149 0.01254 -0.17818 -0.64582 -0.75649 54 3PZ -0.39515 -1.03853 -0.28618 -0.19750 -0.11165 55 4XX -0.00545 0.01705 0.02315 0.03489 -0.03157 56 4YY 0.01432 -0.00224 -0.02671 -0.06353 0.03133 57 4ZZ -0.00033 -0.02032 0.00270 0.00943 0.00900 58 4XY -0.01813 -0.00334 0.01066 -0.00902 -0.00516 59 4XZ -0.00125 -0.00808 0.00998 -0.01345 0.02600 60 4YZ -0.00832 0.00058 0.00253 -0.04211 -0.01762 61 5 C 1S 0.01475 -0.00271 0.00444 -0.00859 -0.02528 62 2S -0.12541 0.14552 -0.01705 -0.01993 0.23406 63 2PX 0.00938 -0.09583 0.16360 0.06159 -0.07823 64 2PY 0.24628 0.04732 -0.05457 -0.33689 0.31950 65 2PZ 0.33541 -0.38613 0.05336 0.02692 0.01532 66 3S 0.33035 -0.51276 0.01856 -0.10274 -1.00038 67 3PX 0.05093 0.20297 -0.29579 -0.19855 0.18670 68 3PY -0.35143 0.01233 0.17822 0.64586 -0.75650 69 3PZ -0.39521 1.03854 -0.28613 -0.19734 0.11152 70 4XX -0.00545 -0.01705 0.02315 0.03489 0.03157 71 4YY 0.01432 0.00224 -0.02670 -0.06354 -0.03133 72 4ZZ -0.00033 0.02032 0.00270 0.00944 -0.00900 73 4XY 0.01813 -0.00334 -0.01066 0.00903 -0.00516 74 4XZ -0.00125 0.00808 0.00997 -0.01345 -0.02600 75 4YZ 0.00832 0.00058 -0.00254 0.04209 -0.01762 76 6 C 1S -0.04632 0.03205 0.00299 0.02864 0.00125 77 2S 0.00217 0.03533 0.14763 -0.06679 -0.05547 78 2PX 0.02266 -0.01880 -0.15826 -0.19102 0.12212 79 2PY 0.11245 -0.11478 0.06944 0.08334 0.01323 80 2PZ 0.00282 0.12852 0.05822 0.22820 -0.47155 81 3S -0.11873 0.08070 -0.47103 -0.23631 0.47045 82 3PX -0.30233 0.45285 0.09815 0.42905 -0.18797 83 3PY -0.07631 0.24745 -0.41806 -0.77734 0.26972 84 3PZ -0.12634 0.32270 -0.05052 -0.09685 0.60599 85 4XX 0.02318 -0.01962 0.01649 0.03104 -0.01820 86 4YY -0.03221 0.03853 0.02960 -0.03257 0.01887 87 4ZZ -0.04533 0.03158 -0.02861 0.01867 -0.00444 88 4XY 0.03578 -0.02178 -0.02096 -0.01419 0.02065 89 4XZ -0.06397 0.05133 -0.02246 0.00526 0.01099 90 4YZ -0.01035 0.03618 0.02631 0.01176 -0.01810 91 7 H 1S 0.01110 -0.04074 0.20332 -0.23023 0.06942 92 2S 0.00019 0.13972 0.08623 0.12277 -0.16897 93 8 H 1S 0.01109 0.04074 0.20332 -0.23023 -0.06942 94 2S 0.00020 -0.13972 0.08623 0.12276 0.16897 95 9 H 1S -0.23796 -0.16237 0.10862 -0.05961 -0.02499 96 2S 0.00854 -0.03247 -0.24776 -0.31271 -0.05903 97 10 H 1S -0.01265 0.06813 0.15691 0.00619 0.03312 98 2S -0.01758 0.01853 0.09268 0.12521 0.13494 99 11 H 1S -0.01266 -0.06813 0.15691 0.00619 -0.03312 100 2S -0.01759 -0.01854 0.09268 0.12521 -0.13494 101 12 H 1S -0.23796 0.16237 0.10862 -0.05960 0.02498 102 2S 0.00854 0.03249 -0.24776 -0.31271 0.05903 103 13 H 1S 0.02453 -0.02254 0.06166 0.03830 -0.04349 104 2S 0.03053 -0.10393 0.06992 0.06538 -0.16980 105 14 H 1S 0.02453 0.02254 0.06166 0.03830 0.04349 106 2S 0.03053 0.10393 0.06993 0.06538 0.16980 107 15 C 1S -0.00533 0.01846 0.01199 -0.00897 0.01499 108 2S -0.34790 0.22840 0.13637 -0.21675 -0.14387 109 2PX -0.10735 0.17634 0.12778 -0.03990 0.01433 110 2PY 0.06061 -0.33692 0.16183 0.06952 -0.23757 111 2PZ -0.12502 0.23661 -0.04715 -0.12707 0.11711 112 3S 0.64564 -0.66049 0.03055 0.46161 0.68294 113 3PX 0.26523 -0.53544 -0.14766 0.14144 -0.17576 114 3PY -0.16204 0.33528 -0.39303 -0.20992 0.76950 115 3PZ 0.19560 -0.51816 -0.00426 0.06523 0.15677 116 4XX 0.01625 -0.02777 0.02564 0.00534 -0.05020 117 4YY -0.03595 0.06435 0.03863 -0.01182 0.04352 118 4ZZ -0.01962 -0.00801 -0.02286 -0.02912 -0.00401 119 4XY -0.01725 0.00329 0.01259 -0.01358 -0.00558 120 4XZ -0.01730 -0.00245 0.01811 -0.01521 0.00563 121 4YZ -0.04666 0.00509 0.00047 -0.05779 0.00840 122 16 C 1S -0.00533 -0.01846 0.01199 -0.00897 -0.01499 123 2S -0.34790 -0.22840 0.13636 -0.21676 0.14386 124 2PX -0.10734 -0.17634 0.12777 -0.03991 -0.01434 125 2PY -0.06059 -0.33687 -0.16183 -0.06951 -0.23755 126 2PZ -0.12503 -0.23666 -0.04718 -0.12708 -0.11715 127 3S 0.64564 0.66048 0.03056 0.46166 -0.68293 128 3PX 0.26521 0.53544 -0.14764 0.14147 0.17577 129 3PY 0.16200 0.33518 0.39305 0.20991 0.76953 130 3PZ 0.19563 0.51821 -0.00419 0.06529 -0.15664 131 4XX 0.01625 0.02777 0.02565 0.00534 0.05020 132 4YY -0.03596 -0.06435 0.03863 -0.01184 -0.04352 133 4ZZ -0.01961 0.00802 -0.02286 -0.02910 0.00401 134 4XY 0.01725 0.00329 -0.01259 0.01358 -0.00558 135 4XZ -0.01730 0.00245 0.01811 -0.01520 -0.00563 136 4YZ 0.04666 0.00508 -0.00045 0.05780 0.00839 137 17 C 1S 0.00672 0.00000 0.00311 0.00174 0.00000 138 2S -0.03542 0.00000 -0.00718 -0.03273 0.00000 139 2PX -0.08769 0.00000 0.02110 0.02759 0.00000 140 2PY 0.00001 0.04604 -0.00001 0.00001 0.00713 141 2PZ -0.04551 0.00001 0.08460 -0.12307 0.00000 142 3S -0.01864 0.00000 -0.07418 0.07526 0.00000 143 3PX 0.46549 0.00000 -0.14449 0.05273 0.00000 144 3PY -0.00003 -0.09956 0.00003 -0.00005 -0.07582 145 3PZ 0.29339 -0.00002 -0.34189 0.51990 0.00000 146 4XX 0.00060 0.00000 -0.01688 0.00841 0.00000 147 4YY -0.00665 0.00000 0.01210 0.01986 0.00000 148 4ZZ 0.00259 0.00000 0.01034 -0.02784 0.00000 149 4XY 0.00000 -0.02055 0.00000 0.00000 -0.01142 150 4XZ 0.03118 0.00000 -0.01176 0.03020 0.00000 151 4YZ 0.00000 -0.00655 0.00000 0.00000 0.00525 152 18 H 1S -0.17118 -0.09522 0.00263 -0.28336 -0.20249 153 2S 0.04863 0.04654 -0.18007 0.01021 -0.24492 154 19 H 1S -0.08734 0.00000 0.10551 -0.19891 0.00000 155 2S -0.05846 0.00000 0.14882 -0.19904 0.00000 156 20 H 1S -0.17118 0.09523 0.00264 -0.28336 0.20249 157 2S 0.04863 -0.04654 -0.18007 0.01021 0.24492 158 21 O 1S 0.00312 -0.00518 0.00036 0.00267 -0.00252 159 2S -0.02575 0.02868 0.01996 -0.06318 0.05441 160 2PX -0.05919 0.07569 -0.00534 0.03002 0.01939 161 2PY 0.10318 -0.09279 0.03116 0.13873 -0.02635 162 2PZ -0.03142 0.05434 0.04678 -0.04790 -0.04087 163 3S -0.12434 0.39300 -0.09158 0.00189 -0.03974 164 3PX 0.10640 -0.16421 0.02295 0.05357 -0.02376 165 3PY -0.01757 0.07622 0.03010 -0.02714 -0.03783 166 3PZ 0.10300 -0.11047 0.00078 0.02975 -0.03688 167 4XX -0.03161 0.04999 -0.00150 -0.03264 0.03822 168 4YY -0.00103 -0.00502 0.00501 -0.02291 0.00362 169 4ZZ -0.00323 0.00951 0.00513 -0.01440 0.00613 170 4XY 0.01987 -0.01736 0.00224 0.02095 0.00113 171 4XZ -0.03223 0.05519 0.00745 -0.01456 0.01013 172 4YZ 0.00810 -0.01179 -0.00721 0.00976 0.00319 173 22 O 1S 0.00312 0.00518 0.00036 0.00267 0.00252 174 2S -0.02575 -0.02867 0.01996 -0.06318 -0.05441 175 2PX -0.05918 -0.07569 -0.00534 0.03001 -0.01939 176 2PY -0.10318 -0.09278 -0.03117 -0.13872 -0.02635 177 2PZ -0.03144 -0.05435 0.04677 -0.04793 0.04086 178 3S -0.12432 -0.39300 -0.09159 0.00187 0.03974 179 3PX 0.10640 0.16420 0.02295 0.05357 0.02377 180 3PY 0.01755 0.07620 -0.03010 0.02714 -0.03783 181 3PZ 0.10300 0.11048 0.00078 0.02976 0.03687 182 4XX -0.03161 -0.04999 -0.00150 -0.03264 -0.03822 183 4YY -0.00103 0.00503 0.00501 -0.02291 -0.00362 184 4ZZ -0.00324 -0.00952 0.00513 -0.01441 -0.00613 185 4XY -0.01986 -0.01735 -0.00224 -0.02095 0.00114 186 4XZ -0.03223 -0.05520 0.00745 -0.01457 -0.01013 187 4YZ -0.00810 -0.01179 0.00721 -0.00977 0.00319 188 23 H 1S -0.08722 0.00000 -0.00111 -0.02243 0.00000 189 2S -0.20517 0.00000 0.09487 -0.00104 0.00000 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S -0.04388 0.04067 -0.02179 -0.00066 -0.02249 2 2S 0.18409 0.01598 -0.19130 0.03950 0.11325 3 2PX 0.42792 0.01924 -0.02952 -0.14865 -0.36930 4 2PY 0.24117 -0.19983 -0.19005 0.00904 0.10195 5 2PZ -0.16976 0.06714 0.12716 0.11302 0.23455 6 3S -0.68019 0.05610 -0.49770 0.33061 -0.36037 7 3PX -0.68472 -0.01981 -0.17982 0.43529 0.95771 8 3PY -0.61402 -0.00945 0.28709 -0.07999 -0.15889 9 3PZ 0.27649 -0.18085 -0.44491 -0.17988 -0.40899 10 4XX 0.01811 0.00021 -0.01718 -0.00204 0.00082 11 4YY -0.05570 0.03386 -0.03660 0.00921 -0.01785 12 4ZZ -0.00472 0.01635 -0.01255 0.00318 0.01676 13 4XY 0.00623 0.00961 0.05108 -0.03837 0.00901 14 4XZ -0.04063 0.04481 -0.05956 0.00282 -0.01294 15 4YZ 0.01271 0.00701 0.03755 -0.01357 0.00663 16 2 C 1S 0.04388 -0.04067 -0.02179 -0.00066 0.02249 17 2S -0.18409 -0.01599 -0.19129 0.03950 -0.11324 18 2PX -0.42792 -0.01924 -0.02952 -0.14865 0.36930 19 2PY 0.24114 -0.19981 0.19003 -0.00906 0.10200 20 2PZ 0.16980 -0.06718 0.12720 0.11301 -0.23452 21 3S 0.68019 -0.05610 -0.49770 0.33061 0.36035 22 3PX 0.68473 0.01981 -0.17982 0.43527 -0.95772 23 3PY -0.61398 -0.00948 -0.28701 0.08002 -0.15897 24 3PZ -0.27659 0.18084 -0.44495 -0.17986 0.40895 25 4XX -0.01811 -0.00021 -0.01718 -0.00204 -0.00082 26 4YY 0.05569 -0.03386 -0.03659 0.00921 0.01785 27 4ZZ 0.00472 -0.01635 -0.01256 0.00319 -0.01676 28 4XY 0.00623 0.00961 -0.05107 0.03837 0.00900 29 4XZ 0.04063 -0.04481 -0.05957 0.00283 0.01294 30 4YZ 0.01272 0.00701 -0.03756 0.01357 0.00663 31 3 C 1S -0.01596 -0.00039 0.01539 0.00177 0.01016 32 2S 0.13197 -0.19974 -0.31506 -0.15357 0.06522 33 2PX -0.20699 0.02791 0.22042 0.27940 -0.33084 34 2PY -0.09174 0.22000 0.38880 -0.10194 0.03100 35 2PZ -0.16105 0.02606 0.03770 -0.57864 0.07853 36 3S -0.52194 0.56574 0.75165 0.51805 0.17620 37 3PX -0.05442 -0.06070 -0.79417 -0.18682 0.62109 38 3PY 0.31355 -0.59588 -0.95240 0.28763 -0.04449 39 3PZ 0.20152 -0.12259 -0.14169 1.37133 -0.13368 40 4XX 0.03423 -0.01574 -0.00044 0.00462 -0.00739 41 4YY -0.02155 -0.01495 0.02482 -0.04485 -0.00826 42 4ZZ -0.01795 0.02117 -0.01898 0.02188 0.03448 43 4XY -0.01044 -0.01117 -0.00613 -0.01329 0.01578 44 4XZ -0.03370 -0.00780 0.01102 0.00163 0.00902 45 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00453 46 4 C 1S -0.01275 -0.02763 0.00405 -0.02146 -0.00407 47 2S 0.06145 0.31579 -0.10742 0.11659 0.02068 48 2PX 0.07094 0.01414 -0.09426 -0.04718 0.06432 49 2PY -0.29712 -0.45349 -0.08288 0.29162 0.06677 50 2PZ 0.11984 -0.24328 -0.14120 -0.10989 -0.12069 51 3S -0.24950 -1.09484 0.30105 -0.91074 0.10598 52 3PX -0.11575 0.11575 0.30568 0.18953 -0.20497 53 3PY 0.62686 1.47124 0.38938 -0.66663 -0.24688 54 3PZ -0.33517 0.97885 0.40940 0.37645 0.37407 55 4XX 0.01801 0.00982 -0.02296 0.03434 -0.00570 56 4YY -0.02989 -0.03741 0.01019 -0.01433 0.00687 57 4ZZ 0.00503 0.02596 0.00647 -0.04539 -0.00191 58 4XY -0.00144 -0.00092 -0.01801 0.02752 0.00017 59 4XZ -0.00003 0.01834 -0.01213 -0.00581 0.00855 60 4YZ 0.00861 0.00200 0.06661 -0.00363 -0.00240 61 5 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00407 62 2S -0.06145 -0.31579 -0.10742 0.11659 -0.02068 63 2PX -0.07094 -0.01414 -0.09426 -0.04718 -0.06432 64 2PY -0.29710 -0.45353 0.08290 -0.29160 0.06676 65 2PZ -0.11989 0.24320 -0.14119 -0.10993 0.12071 66 3S 0.24949 1.09484 0.30104 -0.91074 -0.10596 67 3PX 0.11575 -0.11575 0.30569 0.18953 0.20497 68 3PY 0.62680 1.47141 -0.38945 0.66657 -0.24683 69 3PZ 0.33527 -0.97860 0.40934 0.37656 -0.37415 70 4XX -0.01801 -0.00982 -0.02296 0.03434 0.00570 71 4YY 0.02989 0.03741 0.01021 -0.01434 -0.00687 72 4ZZ -0.00502 -0.02596 0.00645 -0.04539 0.00191 73 4XY -0.00144 -0.00092 0.01801 -0.02752 0.00017 74 4XZ 0.00003 -0.01834 -0.01213 -0.00582 -0.00855 75 4YZ 0.00862 0.00201 -0.06661 0.00364 -0.00240 76 6 C 1S 0.01596 0.00039 0.01539 0.00177 -0.01016 77 2S -0.13196 0.19974 -0.31506 -0.15357 -0.06521 78 2PX 0.20700 -0.02791 0.22041 0.27941 0.33085 79 2PY -0.09176 0.22001 -0.38880 0.10203 0.03102 80 2PZ 0.16104 -0.02603 0.03763 -0.57863 -0.07851 81 3S 0.52193 -0.56575 0.75166 0.51805 -0.17622 82 3PX 0.05441 0.06070 -0.79417 -0.18682 -0.62112 83 3PY 0.31357 -0.59590 0.95243 -0.28786 -0.04452 84 3PZ -0.20146 0.12249 -0.14153 1.37128 0.13362 85 4XX -0.03423 0.01574 -0.00044 0.00462 0.00739 86 4YY 0.02156 0.01496 0.02483 -0.04486 0.00827 87 4ZZ 0.01794 -0.02117 -0.01898 0.02188 -0.03448 88 4XY -0.01045 -0.01117 0.00613 0.01329 0.01578 89 4XZ 0.03370 0.00780 0.01102 0.00163 -0.00902 90 4YZ -0.02063 -0.02492 -0.01127 0.01102 -0.00452 91 7 H 1S -0.15104 0.17450 -0.03546 -0.04069 -0.03721 92 2S -0.04250 -0.24949 -0.17671 0.10211 0.11779 93 8 H 1S 0.15104 -0.17450 -0.03546 -0.04069 0.03720 94 2S 0.04250 0.24949 -0.17670 0.10211 -0.11779 95 9 H 1S -0.14274 -0.13516 0.05768 -0.09197 -0.02553 96 2S 0.00297 0.13458 0.31161 -0.05808 0.02091 97 10 H 1S -0.02428 -0.14085 -0.07612 0.01295 -0.05509 98 2S -0.07960 -0.35715 -0.19637 -0.08561 0.07312 99 11 H 1S 0.02428 0.14085 -0.07612 0.01296 0.05509 100 2S 0.07960 0.35715 -0.19638 -0.08561 -0.07311 101 12 H 1S 0.14274 0.13516 0.05768 -0.09197 0.02553 102 2S -0.00298 -0.13458 0.31161 -0.05808 -0.02092 103 13 H 1S 0.02150 0.19715 0.07256 -0.18927 -0.00228 104 2S 0.05709 0.36652 -0.28896 0.09130 0.09155 105 14 H 1S -0.02150 -0.19715 0.07256 -0.18927 0.00229 106 2S -0.05709 -0.36652 -0.28896 0.09130 -0.09153 107 15 C 1S 0.00159 0.01345 0.00636 -0.01662 -0.00627 108 2S -0.09429 -0.02709 -0.16149 -0.11922 -0.33761 109 2PX -0.29347 0.08911 0.01239 -0.09403 -0.31931 110 2PY -0.09449 -0.20691 0.16816 0.02574 -0.38109 111 2PZ 0.10987 0.05380 -0.22055 0.06931 -0.00959 112 3S 0.51543 0.34678 0.49818 0.50493 1.87008 113 3PX 0.68339 -0.25199 0.15936 0.02826 1.00546 114 3PY 0.32299 0.69189 -0.37796 -0.19784 1.04112 115 3PZ -0.05501 0.03166 0.45949 0.00726 0.60732 116 4XX -0.01615 -0.03512 0.03097 -0.02273 -0.01323 117 4YY 0.01973 0.03974 0.00460 -0.01106 0.05511 118 4ZZ 0.00312 0.00451 -0.03594 0.00305 -0.02735 119 4XY -0.00430 -0.00343 -0.03107 -0.02836 -0.01761 120 4XZ 0.00650 -0.00723 0.00863 -0.00056 0.00376 121 4YZ -0.00048 0.00722 0.00739 -0.00892 -0.00474 122 16 C 1S -0.00159 -0.01345 0.00636 -0.01662 0.00627 123 2S 0.09429 0.02709 -0.16149 -0.11922 0.33761 124 2PX 0.29347 -0.08911 0.01238 -0.09402 0.31929 125 2PY -0.09447 -0.20690 -0.16813 -0.02575 -0.38109 126 2PZ -0.10989 -0.05384 -0.22058 0.06930 0.00953 127 3S -0.51542 -0.34678 0.49817 0.50493 -1.87008 128 3PX -0.68339 0.25199 0.15936 0.02825 -1.00545 129 3PY 0.32299 0.69189 0.37789 0.19784 1.04122 130 3PZ 0.05506 -0.03155 0.45955 0.00730 -0.60715 131 4XX 0.01615 0.03512 0.03097 -0.02273 0.01323 132 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05510 133 4ZZ -0.00312 -0.00450 -0.03595 0.00306 0.02735 134 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01761 135 4XZ -0.00650 0.00722 0.00863 -0.00055 -0.00376 136 4YZ -0.00048 0.00722 -0.00738 0.00892 -0.00475 137 17 C 1S 0.00000 0.00000 -0.00782 -0.00062 0.00000 138 2S 0.00000 0.00000 -0.02791 0.03203 0.00000 139 2PX 0.00000 0.00000 -0.14211 0.04270 0.00000 140 2PY -0.00690 -0.11718 -0.00002 0.00000 0.00318 141 2PZ 0.00000 -0.00001 0.19919 -0.00971 0.00000 142 3S 0.00000 0.00000 0.07493 -0.03200 0.00001 143 3PX 0.00000 0.00000 0.55984 -0.11932 0.00000 144 3PY 0.02808 0.23172 0.00003 -0.00001 0.09579 145 3PZ 0.00000 0.00002 -0.30149 0.09413 0.00001 146 4XX 0.00000 0.00000 -0.01675 0.00899 0.00000 147 4YY 0.00000 0.00000 0.00982 0.02204 0.00000 148 4ZZ 0.00000 0.00000 0.00294 -0.01697 0.00000 149 4XY 0.01311 -0.01827 0.00000 0.00000 0.02576 150 4XZ 0.00000 0.00000 0.03374 0.01119 0.00000 151 4YZ 0.00173 -0.01544 0.00000 0.00000 0.01047 152 18 H 1S -0.02606 -0.17400 0.04814 -0.06173 0.07846 153 2S -0.06710 -0.13584 0.01432 -0.06302 -0.39541 154 19 H 1S 0.00000 0.00000 -0.08968 -0.09415 0.00000 155 2S 0.00000 0.00000 0.25221 0.00829 0.00000 156 20 H 1S 0.02606 0.17400 0.04814 -0.06173 -0.07846 157 2S 0.06710 0.13584 0.01432 -0.06302 0.39540 158 21 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 159 2S 0.03358 0.00152 -0.02277 0.00866 0.04023 160 2PX -0.05318 0.09552 -0.18945 -0.02535 -0.09268 161 2PY 0.02602 -0.10268 0.10303 0.06966 0.07016 162 2PZ 0.00894 -0.10323 0.08251 0.01071 0.05270 163 3S -0.25039 0.25315 -0.28643 -0.18804 -0.61527 164 3PX 0.04273 -0.08568 0.22129 0.10744 0.24801 165 3PY -0.05043 0.05917 -0.07821 -0.06090 -0.16549 166 3PZ 0.06206 0.02945 0.03328 0.01417 0.09694 167 4XX 0.00802 0.02370 -0.04356 0.00605 0.00328 168 4YY 0.00428 -0.01188 -0.00048 -0.00066 -0.00727 169 4ZZ 0.00240 0.00409 0.00701 0.00571 0.02206 170 4XY 0.00576 0.00622 0.00990 0.00274 0.02694 171 4XZ -0.01986 0.01618 -0.02283 -0.00369 -0.03066 172 4YZ 0.02323 0.00583 0.00950 0.01710 0.04015 173 22 O 1S -0.00051 0.00501 0.00675 0.00640 -0.00806 174 2S -0.03358 -0.00152 -0.02277 0.00866 -0.04023 175 2PX 0.05318 -0.09552 -0.18945 -0.02535 0.09267 176 2PY 0.02601 -0.10269 -0.10305 -0.06966 0.07017 177 2PZ -0.00894 0.10321 0.08249 0.01070 -0.05269 178 3S 0.25038 -0.25315 -0.28643 -0.18803 0.61527 179 3PX -0.04273 0.08568 0.22129 0.10744 -0.24800 180 3PY -0.05042 0.05918 0.07820 0.06090 -0.16548 181 3PZ -0.06207 -0.02943 0.03330 0.01418 -0.09696 182 4XX -0.00802 -0.02370 -0.04356 0.00605 -0.00328 183 4YY -0.00429 0.01188 -0.00048 -0.00065 0.00725 184 4ZZ -0.00239 -0.00409 0.00701 0.00570 -0.02205 185 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02694 186 4XZ 0.01986 -0.01618 -0.02284 -0.00369 0.03067 187 4YZ 0.02322 0.00584 -0.00950 -0.01711 0.04016 188 23 H 1S 0.00000 0.00000 -0.21831 -0.02974 0.00000 189 2S 0.00000 0.00000 -0.28164 0.08683 0.00000 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79574 0.79877 0.81071 1 1 C 1S 0.02616 0.00436 0.01006 0.00283 0.00895 2 2S -0.18320 -0.00523 0.02152 0.10199 -0.01147 3 2PX 0.00046 -0.01297 0.15216 0.00873 0.07123 4 2PY 0.17752 0.09381 0.07404 0.41298 0.05478 5 2PZ -0.20907 -0.05866 -0.01438 -0.05190 0.00640 6 3S 0.63270 0.79554 -0.00509 -1.19713 0.04455 7 3PX 0.02018 0.23338 -0.20505 -0.73922 -0.09469 8 3PY -0.45082 -0.33679 -0.08838 -0.93606 -0.05499 9 3PZ 0.28726 0.28207 -0.06424 -0.46171 -0.08856 10 4XX 0.01613 0.00731 0.01224 0.02296 -0.00285 11 4YY 0.00610 0.01564 -0.00026 -0.05608 -0.00166 12 4ZZ -0.01693 -0.00735 -0.00271 0.02453 0.01069 13 4XY 0.00134 -0.03610 0.02547 -0.00658 0.01308 14 4XZ 0.03203 0.01443 0.02363 0.01563 0.01707 15 4YZ -0.01577 -0.05232 0.02053 -0.01726 0.01246 16 2 C 1S 0.02616 0.00436 0.01006 -0.00283 0.00895 17 2S -0.18321 -0.00523 0.02152 -0.10198 -0.01147 18 2PX 0.00047 -0.01297 0.15216 -0.00872 0.07123 19 2PY -0.17747 -0.09381 -0.07405 0.41297 -0.05478 20 2PZ -0.20911 -0.05868 -0.01439 0.05197 0.00639 21 3S 0.63273 0.79555 -0.00513 1.19713 0.04455 22 3PX 0.02016 0.23338 -0.20507 0.73921 -0.09470 23 3PY 0.45075 0.33675 0.08842 -0.93614 0.05500 24 3PZ 0.28736 0.28213 -0.06425 0.46155 -0.08854 25 4XX 0.01613 0.00731 0.01224 -0.02296 -0.00285 26 4YY 0.00610 0.01562 -0.00026 0.05608 -0.00166 27 4ZZ -0.01693 -0.00734 -0.00271 -0.02453 0.01069 28 4XY -0.00135 0.03610 -0.02547 -0.00657 -0.01309 29 4XZ 0.03203 0.01443 0.02362 -0.01563 0.01706 30 4YZ 0.01577 0.05232 -0.02053 -0.01725 -0.01246 31 3 C 1S -0.00365 0.00521 -0.00441 0.01244 -0.00370 32 2S -0.17610 0.08622 0.11668 -0.14773 -0.00298 33 2PX -0.41640 -0.21901 0.10504 0.33530 0.05451 34 2PY 0.22953 -0.15289 -0.07233 -0.01574 -0.06702 35 2PZ -0.27851 -0.08733 -0.02445 -0.12342 -0.05971 36 3S 0.19692 -0.49476 0.00106 -0.06488 0.16034 37 3PX 0.69245 0.69066 -0.20520 -0.06783 -0.08312 38 3PY -0.47352 0.59500 -0.02733 0.41735 0.08708 39 3PZ 0.77542 0.49084 0.10573 0.62848 0.13180 40 4XX -0.02387 0.01241 -0.01283 -0.01377 0.00265 41 4YY -0.00045 -0.00932 0.02460 -0.03469 0.00566 42 4ZZ -0.00089 -0.00542 -0.00010 0.03135 -0.01210 43 4XY -0.03314 -0.02530 0.01055 0.02774 -0.00227 44 4XZ -0.03611 0.00903 0.00063 -0.01366 0.00640 45 4YZ -0.01606 -0.00938 0.00112 0.00121 0.00263 46 4 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 47 2S -0.07859 -0.05336 0.08783 0.05463 0.13045 48 2PX 0.00152 0.01255 -0.00148 0.02168 0.23539 49 2PY 0.08160 0.14041 -0.03157 0.15122 0.02876 50 2PZ -0.19748 -0.00078 0.01151 -0.04065 -0.00154 51 3S -0.21576 -0.31086 -0.24838 0.06215 -0.33454 52 3PX 0.06513 -0.22157 0.12722 -0.26960 -0.25671 53 3PY -0.03256 -0.42754 -0.07810 -0.90934 -0.14261 54 3PZ 0.70986 0.01463 -0.13318 0.16204 -0.05214 55 4XX -0.00972 0.01234 0.01486 0.03258 -0.00051 56 4YY -0.00113 -0.03899 -0.00645 0.01822 0.00514 57 4ZZ -0.02405 0.00856 0.01125 -0.04477 0.01804 58 4XY -0.00158 0.01418 -0.05776 0.01104 -0.06494 59 4XZ -0.01089 -0.03287 -0.02160 0.05817 -0.03927 60 4YZ 0.06528 -0.02028 0.01702 -0.00414 0.01558 61 5 C 1S -0.01431 -0.00145 0.01023 0.00338 0.00161 62 2S -0.07859 -0.05336 0.08783 -0.05462 0.13045 63 2PX 0.00151 0.01255 -0.00148 -0.02168 0.23539 64 2PY -0.08157 -0.14041 0.03157 0.15121 -0.02877 65 2PZ -0.19749 -0.00080 0.01151 0.04067 -0.00155 66 3S -0.21577 -0.31086 -0.24837 -0.06217 -0.33454 67 3PX 0.06516 -0.22157 0.12721 0.26961 -0.25670 68 3PY 0.03243 0.42754 0.07815 -0.90930 0.14264 69 3PZ 0.70986 0.01470 -0.13317 -0.16220 -0.05211 70 4XX -0.00972 0.01234 0.01486 -0.03258 -0.00051 71 4YY -0.00111 -0.03900 -0.00645 -0.01822 0.00515 72 4ZZ -0.02407 0.00856 0.01125 0.04477 0.01804 73 4XY 0.00158 -0.01417 0.05777 0.01105 0.06495 74 4XZ -0.01089 -0.03288 -0.02159 -0.05817 -0.03926 75 4YZ -0.06527 0.02027 -0.01702 -0.00415 -0.01558 76 6 C 1S -0.00365 0.00521 -0.00441 -0.01244 -0.00370 77 2S -0.17610 0.08622 0.11668 0.14774 -0.00298 78 2PX -0.41639 -0.21901 0.10505 -0.33530 0.05451 79 2PY -0.22948 0.15290 0.07234 -0.01575 0.06703 80 2PZ -0.27856 -0.08731 -0.02445 0.12341 -0.05970 81 3S 0.19693 -0.49476 0.00105 0.06488 0.16035 82 3PX 0.69242 0.69065 -0.20520 0.06782 -0.08312 83 3PY 0.47340 -0.59509 0.02730 0.41745 -0.08710 84 3PZ 0.77551 0.49074 0.10575 -0.62840 0.13180 85 4XX -0.02387 0.01241 -0.01283 0.01377 0.00265 86 4YY -0.00046 -0.00932 0.02460 0.03469 0.00566 87 4ZZ -0.00088 -0.00541 -0.00009 -0.03135 -0.01210 88 4XY 0.03315 0.02530 -0.01055 0.02774 0.00227 89 4XZ -0.03610 0.00903 0.00063 0.01367 0.00640 90 4YZ 0.01606 0.00938 -0.00111 0.00122 -0.00263 91 7 H 1S 0.18825 -0.11639 0.15091 -0.07365 0.09846 92 2S -0.12497 0.15301 -0.24620 -0.49968 -0.18190 93 8 H 1S 0.18826 -0.11639 0.15091 0.07365 0.09846 94 2S -0.12497 0.15301 -0.24621 0.49968 -0.18190 95 9 H 1S -0.07059 -0.02058 0.08796 0.06263 0.03392 96 2S 0.19748 -0.22028 -0.03812 -0.13042 -0.09563 97 10 H 1S -0.13397 -0.00809 -0.02897 0.24520 -0.17432 98 2S -0.19848 0.24924 0.11655 0.14626 0.40895 99 11 H 1S -0.13397 -0.00809 -0.02897 -0.24520 -0.17432 100 2S -0.19849 0.24924 0.11655 -0.14626 0.40894 101 12 H 1S -0.07059 -0.02058 0.08796 -0.06262 0.03392 102 2S 0.19748 -0.22028 -0.03813 0.13041 -0.09563 103 13 H 1S -0.04967 0.00852 0.28231 0.21552 0.26245 104 2S -0.31910 -0.06022 -0.05673 -0.23109 -0.26256 105 14 H 1S -0.04967 0.00852 0.28231 -0.21551 0.26245 106 2S -0.31910 -0.06022 -0.05673 0.23109 -0.26256 107 15 C 1S 0.00559 0.01482 0.00121 0.00873 -0.00526 108 2S -0.00652 -0.01716 0.27398 -0.08448 0.14427 109 2PX 0.28094 0.13342 0.14392 0.02135 0.03750 110 2PY 0.05703 -0.10271 0.08560 -0.32554 -0.01261 111 2PZ -0.11522 -0.16825 0.21079 -0.30752 0.05134 112 3S -0.21034 -0.44552 -0.11559 0.86626 -0.18032 113 3PX -0.33026 -0.19937 -0.32621 0.36680 -0.11972 114 3PY -0.05342 0.51313 -0.27735 1.44323 0.02879 115 3PZ -0.00366 0.29682 -0.38705 0.97837 -0.01425 116 4XX 0.00319 0.00246 -0.01607 -0.01520 0.01443 117 4YY 0.00802 -0.02456 0.04110 0.05819 0.01680 118 4ZZ -0.02586 0.03922 -0.00116 -0.00836 -0.02627 119 4XY 0.01244 0.03727 -0.04761 -0.00417 -0.00168 120 4XZ -0.03422 0.04487 0.02648 -0.01005 0.01016 121 4YZ -0.04436 0.01520 -0.05743 -0.00393 -0.01678 122 16 C 1S 0.00559 0.01482 0.00121 -0.00873 -0.00526 123 2S -0.00650 -0.01716 0.27397 0.08448 0.14427 124 2PX 0.28095 0.13342 0.14392 -0.02135 0.03750 125 2PY -0.05704 0.10274 -0.08562 -0.32559 0.01260 126 2PZ -0.11522 -0.16823 0.21076 0.30748 0.05134 127 3S -0.21044 -0.44554 -0.11555 -0.86626 -0.18032 128 3PX -0.33031 -0.19938 -0.32619 -0.36681 -0.11972 129 3PY 0.05349 -0.51317 0.27737 1.44340 -0.02879 130 3PZ -0.00369 0.29673 -0.38697 -0.97814 -0.01426 131 4XX 0.00319 0.00246 -0.01607 0.01520 0.01443 132 4YY 0.00801 -0.02456 0.04109 -0.05818 0.01680 133 4ZZ -0.02585 0.03921 -0.00115 0.00836 -0.02627 134 4XY -0.01244 -0.03728 0.04760 -0.00417 0.00168 135 4XZ -0.03422 0.04486 0.02648 0.01006 0.01016 136 4YZ 0.04436 -0.01522 0.05744 -0.00394 0.01679 137 17 C 1S 0.01846 -0.04871 -0.04321 0.00000 -0.00668 138 2S 0.14077 -0.18593 0.30357 0.00000 0.08023 139 2PX -0.00282 -0.23809 0.30687 0.00000 -0.52062 140 2PY 0.00000 -0.00003 0.00001 -0.03512 -0.00005 141 2PZ -0.03260 0.29846 -0.13186 0.00000 0.54409 142 3S -0.29020 0.54546 -0.33315 -0.00001 -0.08139 143 3PX -0.17796 1.11621 -0.90256 -0.00001 0.97903 144 3PY 0.00002 0.00005 -0.00001 0.07330 0.00010 145 3PZ -0.18594 -0.59062 0.07613 0.00001 -1.15779 146 4XX -0.00503 -0.09614 -0.12721 0.00000 0.12257 147 4YY 0.04203 -0.04458 0.11340 0.00000 0.02799 148 4ZZ 0.01960 0.04281 0.01560 0.00000 -0.14221 149 4XY 0.00000 0.00000 0.00000 0.00191 0.00000 150 4XZ -0.01850 0.03491 -0.02843 0.00000 -0.01309 151 4YZ 0.00000 -0.00001 0.00001 -0.00208 0.00002 152 18 H 1S -0.17332 0.27518 -0.17709 0.01099 -0.05898 153 2S 0.20576 0.17700 -0.06810 -0.86376 0.13322 154 19 H 1S 0.17114 -0.09015 -0.07281 0.00000 -0.56959 155 2S 0.10694 0.21438 -0.18146 0.00000 1.38319 156 20 H 1S -0.17333 0.27518 -0.17709 -0.01100 -0.05898 157 2S 0.20578 0.17701 -0.06813 0.86376 0.13322 158 21 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00368 159 2S 0.03329 -0.20400 -0.12842 -0.00831 -0.03427 160 2PX 0.11621 -0.16474 -0.11460 0.09442 0.05647 161 2PY 0.05487 -0.07712 0.16282 -0.01582 0.03952 162 2PZ 0.04614 -0.10425 -0.05923 -0.13498 -0.09399 163 3S 0.08747 0.47808 0.21388 -0.13069 0.07251 164 3PX -0.14076 -0.04391 0.13156 -0.04623 -0.14504 165 3PY -0.01055 0.00141 -0.14884 -0.08606 -0.04981 166 3PZ -0.08617 0.10602 0.00517 0.07980 0.17218 167 4XX 0.02038 -0.04573 0.02149 -0.00029 -0.03047 168 4YY -0.00069 -0.05651 -0.09100 -0.03292 -0.02238 169 4ZZ 0.01124 -0.08586 -0.03367 0.01159 0.03294 170 4XY 0.01726 -0.00915 0.03645 0.03033 -0.03029 171 4XZ 0.02293 -0.01172 0.05257 -0.01332 0.01923 172 4YZ -0.00363 -0.03768 0.00778 0.00411 0.03298 173 22 O 1S -0.00228 -0.00474 0.01091 0.00258 0.00368 174 2S 0.03329 -0.20401 -0.12842 0.00831 -0.03426 175 2PX 0.11621 -0.16474 -0.11460 -0.09443 0.05647 176 2PY -0.05488 0.07714 -0.16281 -0.01584 -0.03950 177 2PZ 0.04613 -0.10424 -0.05926 0.13497 -0.09400 178 3S 0.08750 0.47809 0.21387 0.13069 0.07251 179 3PX -0.14077 -0.04392 0.13156 0.04624 -0.14504 180 3PY 0.01056 -0.00143 0.14884 -0.08604 0.04978 181 3PZ -0.08617 0.10602 0.00520 -0.07982 0.17219 182 4XX 0.02038 -0.04573 0.02149 0.00030 -0.03047 183 4YY -0.00070 -0.05653 -0.09099 0.03292 -0.02237 184 4ZZ 0.01124 -0.08585 -0.03367 -0.01159 0.03293 185 4XY -0.01726 0.00915 -0.03646 0.03032 0.03028 186 4XZ 0.02293 -0.01171 0.05257 0.01333 0.01924 187 4YZ 0.00363 0.03768 -0.00780 0.00412 -0.03299 188 23 H 1S 0.10116 -0.57529 -0.60233 -0.00001 0.47704 189 2S 0.15677 -0.46901 1.17531 0.00002 -1.23453 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84210 0.85443 0.86451 0.88060 1 1 C 1S -0.01251 0.00743 -0.02295 0.00878 -0.01514 2 2S 0.12978 -0.05240 0.05662 -0.18448 0.32588 3 2PX -0.04674 -0.08924 -0.20725 0.12049 -0.21610 4 2PY 0.15765 -0.05226 -0.41078 -0.00781 -0.21221 5 2PZ 0.15130 -0.08414 -0.50885 0.14682 -0.31995 6 3S -0.51808 -0.45091 1.39789 0.44346 -0.68971 7 3PX 0.14522 0.06092 1.00451 -0.16129 0.50376 8 3PY -0.33200 0.38331 1.91081 -0.43838 0.43512 9 3PZ -0.87745 0.24501 1.78159 -0.55101 0.66169 10 4XX 0.01216 0.01699 -0.00079 -0.01958 0.00477 11 4YY -0.01565 -0.02275 0.07393 -0.00897 0.02093 12 4ZZ -0.00371 -0.00330 -0.02507 -0.00450 0.02013 13 4XY -0.00724 -0.01075 -0.02289 0.00058 -0.06034 14 4XZ -0.01641 0.01267 -0.02858 -0.00401 -0.02714 15 4YZ -0.01604 0.04154 -0.02385 0.00125 -0.04446 16 2 C 1S 0.01251 0.00743 0.02295 -0.00878 -0.01514 17 2S -0.12978 -0.05240 -0.05662 0.18448 0.32588 18 2PX 0.04674 -0.08924 0.20725 -0.12049 -0.21610 19 2PY 0.15767 0.05227 -0.41087 -0.00778 0.21226 20 2PZ -0.15127 -0.08413 0.50879 -0.14681 -0.31992 21 3S 0.51809 -0.45092 -1.39789 -0.44346 -0.68969 22 3PX -0.14521 0.06091 -1.00450 0.16128 0.50377 23 3PY -0.33215 -0.38336 1.91112 -0.43846 -0.43523 24 3PZ 0.87740 0.24494 -1.78127 0.55092 0.66164 25 4XX -0.01216 0.01699 0.00079 0.01958 0.00477 26 4YY 0.01565 -0.02274 -0.07392 0.00897 0.02091 27 4ZZ 0.00370 -0.00331 0.02507 0.00450 0.02015 28 4XY -0.00724 0.01075 -0.02290 0.00058 0.06035 29 4XZ 0.01641 0.01267 0.02857 0.00401 -0.02713 30 4YZ -0.01604 -0.04154 -0.02387 0.00125 0.04446 31 3 C 1S -0.00195 0.00720 0.00750 -0.00083 0.00290 32 2S 0.10212 0.10685 -0.08918 0.16346 0.10419 33 2PX -0.12934 -0.06491 0.00980 -0.08898 0.07353 34 2PY -0.17558 0.05024 -0.00849 -0.09101 -0.05731 35 2PZ 0.30208 0.03919 -0.01409 0.21701 -0.02451 36 3S -1.31977 -0.35501 0.73770 -0.80236 -0.42176 37 3PX 0.67113 -0.13443 -0.15284 -0.31735 0.01957 38 3PY 0.65052 -0.02324 -0.58094 0.31091 0.33026 39 3PZ -1.45845 -0.65510 0.10371 -0.98697 -0.13557 40 4XX -0.02344 -0.03788 -0.02421 -0.01861 -0.00872 41 4YY 0.02317 0.00520 0.06658 0.02641 0.01664 42 4ZZ -0.02705 0.05429 -0.03688 0.00012 -0.00775 43 4XY 0.02866 0.01257 0.03634 0.01204 -0.01120 44 4XZ -0.02591 -0.01193 0.00300 -0.00971 0.01888 45 4YZ 0.00490 0.00139 0.02490 -0.01343 -0.01344 46 4 C 1S 0.00423 -0.02740 -0.01106 -0.00278 0.00149 47 2S -0.03663 0.15840 0.09056 0.01924 -0.21342 48 2PX 0.44425 0.14807 0.10360 -0.52803 0.14491 49 2PY -0.27032 0.00849 -0.08188 -0.16916 -0.08278 50 2PZ 0.19328 -0.03846 0.05196 0.28767 -0.07682 51 3S 0.28391 0.53396 -0.55449 0.23708 0.68665 52 3PX -1.76156 -0.16809 -0.19830 1.46082 -0.23045 53 3PY 1.12588 0.41196 0.23523 0.90740 0.27289 54 3PZ -1.14767 0.00274 -0.22320 -1.25990 0.15464 55 4XX 0.01210 -0.05665 -0.00739 0.00069 -0.03145 56 4YY -0.02300 0.07265 -0.00057 -0.01252 -0.01314 57 4ZZ 0.01968 0.00385 -0.00271 0.01610 0.02265 58 4XY -0.00129 -0.00803 -0.00340 0.01743 -0.00910 59 4XZ 0.03415 0.05673 -0.02080 0.05666 0.00050 60 4YZ -0.00516 -0.03142 0.00385 -0.00882 0.02757 61 5 C 1S -0.00423 -0.02740 0.01106 0.00278 0.00149 62 2S 0.03663 0.15840 -0.09056 -0.01924 -0.21342 63 2PX -0.44425 0.14808 -0.10360 0.52802 0.14492 64 2PY -0.27028 -0.00849 -0.08187 -0.16912 0.08279 65 2PZ -0.19333 -0.03847 -0.05197 -0.28770 -0.07680 66 3S -0.28391 0.53396 0.55449 -0.23709 0.68664 67 3PX 1.76157 -0.16810 0.19830 -1.46081 -0.23047 68 3PY 1.12568 -0.41195 0.23519 0.90719 -0.27291 69 3PZ 1.14785 0.00269 0.22323 1.26005 0.15459 70 4XX -0.01210 -0.05665 0.00739 -0.00069 -0.03145 71 4YY 0.02300 0.07264 0.00057 0.01253 -0.01314 72 4ZZ -0.01969 0.00386 0.00271 -0.01610 0.02264 73 4XY -0.00128 0.00802 -0.00340 0.01744 0.00910 74 4XZ -0.03415 0.05673 0.02080 -0.05666 0.00050 75 4YZ -0.00515 0.03143 0.00385 -0.00881 -0.02758 76 6 C 1S 0.00195 0.00720 -0.00750 0.00083 0.00290 77 2S -0.10212 0.10685 0.08917 -0.16346 0.10420 78 2PX 0.12934 -0.06492 -0.00980 0.08898 0.07353 79 2PY -0.17552 -0.05025 -0.00849 -0.09097 0.05730 80 2PZ -0.30211 0.03917 0.01409 -0.21703 -0.02450 81 3S 1.31977 -0.35500 -0.73769 0.80238 -0.42177 82 3PX -0.67112 -0.13442 0.15284 0.31735 0.01956 83 3PY 0.65026 0.02335 -0.58092 0.31076 -0.33019 84 3PZ 1.45856 -0.65507 -0.10380 0.98702 -0.13563 85 4XX 0.02344 -0.03788 0.02421 0.01861 -0.00872 86 4YY -0.02317 0.00520 -0.06659 -0.02640 0.01663 87 4ZZ 0.02705 0.05429 0.03689 -0.00012 -0.00774 88 4XY 0.02865 -0.01257 0.03634 0.01204 0.01120 89 4XZ 0.02592 -0.01193 -0.00299 0.00971 0.01889 90 4YZ 0.00489 -0.00140 0.02488 -0.01343 0.01344 91 7 H 1S -0.02198 0.18748 -0.33068 0.12651 -0.30965 92 2S -0.20985 0.14411 1.68739 -0.54997 1.02872 93 8 H 1S 0.02198 0.18748 0.33068 -0.12651 -0.30965 94 2S 0.20985 0.14411 -1.68739 0.54995 1.02873 95 9 H 1S 0.12857 -0.00648 0.09359 0.03796 0.09064 96 2S -0.41168 0.07200 -0.04032 -0.16129 -0.21894 97 10 H 1S 0.04818 -0.26726 -0.07576 0.13743 -0.10324 98 2S 0.75552 -0.00790 0.29974 -0.96007 0.01258 99 11 H 1S -0.04818 -0.26726 0.07576 -0.13743 -0.10324 100 2S -0.75553 -0.00789 -0.29974 0.96007 0.01260 101 12 H 1S -0.12857 -0.00648 -0.09359 -0.03796 0.09063 102 2S 0.41166 0.07201 0.04032 0.16130 -0.21889 103 13 H 1S -0.04181 -0.34973 -0.07776 0.18908 0.05092 104 2S 0.37846 0.12309 0.04885 -1.11150 -0.40924 105 14 H 1S 0.04181 -0.34973 0.07776 -0.18908 0.05092 106 2S -0.37845 0.12311 -0.04885 1.11151 -0.40923 107 15 C 1S -0.00555 0.01307 -0.00609 -0.01815 -0.01109 108 2S 0.01063 -0.08951 0.07042 0.16381 0.50895 109 2PX 0.16012 0.04955 -0.02520 -0.00043 -0.05706 110 2PY 0.21291 0.00315 -0.25659 -0.16924 -0.25843 111 2PZ -0.22358 0.06606 -0.29150 -0.28228 -0.26228 112 3S -0.49638 0.22656 0.51321 0.15114 -1.11542 113 3PX -0.46912 -0.01272 0.26976 0.03935 0.20849 114 3PY -0.67150 -0.03883 1.14467 0.74905 0.63951 115 3PZ 0.70236 -0.11030 1.05187 0.96405 0.66050 116 4XX -0.00820 0.04416 0.01359 0.03290 0.03619 117 4YY -0.03561 -0.02122 0.04282 0.02817 0.02243 118 4ZZ 0.02529 0.01327 -0.01394 -0.03296 0.01204 119 4XY -0.00251 -0.00437 -0.00559 -0.00749 -0.06122 120 4XZ 0.00361 0.06527 -0.00795 -0.00123 -0.00484 121 4YZ 0.01166 0.03941 -0.01748 -0.02244 -0.06396 122 16 C 1S 0.00555 0.01307 0.00609 0.01815 -0.01109 123 2S -0.01063 -0.08951 -0.07042 -0.16381 0.50895 124 2PX -0.16012 0.04955 0.02520 0.00043 -0.05706 125 2PY 0.21287 -0.00316 -0.25664 -0.16929 0.25847 126 2PZ 0.22362 0.06607 0.29146 0.28225 -0.26224 127 3S 0.49638 0.22656 -0.51320 -0.15114 -1.11541 128 3PX 0.46912 -0.01272 -0.26976 -0.03934 0.20848 129 3PY -0.67139 0.03886 1.14485 0.74922 -0.63962 130 3PZ -0.70248 -0.11031 -1.05168 -0.96392 0.66039 131 4XX 0.00820 0.04416 -0.01359 -0.03290 0.03619 132 4YY 0.03560 -0.02121 -0.04281 -0.02817 0.02242 133 4ZZ -0.02529 0.01326 0.01393 0.03295 0.01206 134 4XY -0.00251 0.00436 -0.00559 -0.00750 0.06122 135 4XZ -0.00362 0.06527 0.00795 0.00123 -0.00483 136 4YZ 0.01168 -0.03942 -0.01749 -0.02245 0.06396 137 17 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 138 2S 0.00000 -0.59689 0.00000 0.00000 -0.09430 139 2PX 0.00000 0.17547 0.00000 0.00000 -0.01069 140 2PY 0.01727 0.00002 0.01735 -0.05023 0.00001 141 2PZ 0.00000 -0.18814 0.00000 0.00000 -0.07998 142 3S 0.00000 1.37942 -0.00001 -0.00001 0.36075 143 3PX 0.00000 -0.66900 0.00000 0.00001 -0.14453 144 3PY -0.02805 -0.00003 -0.07676 0.08532 0.00001 145 3PZ 0.00000 0.38094 -0.00001 0.00000 -0.06961 146 4XX 0.00000 0.03393 0.00000 0.00000 0.00608 147 4YY 0.00000 -0.03071 0.00000 0.00000 0.02724 148 4ZZ 0.00000 -0.08760 0.00000 0.00000 -0.00015 149 4XY -0.00196 0.00000 -0.00514 0.02282 0.00000 150 4XZ 0.00000 0.00033 0.00000 0.00000 -0.04137 151 4YZ 0.01319 0.00001 0.00650 0.01570 0.00000 152 18 H 1S -0.08090 0.10598 0.17412 0.29646 -0.25887 153 2S -0.10135 -0.29768 -1.03404 -1.01008 1.13661 154 19 H 1S 0.00000 -0.26640 0.00000 0.00000 0.15199 155 2S -0.00001 -0.39439 0.00000 0.00001 -0.15689 156 20 H 1S 0.08090 0.10598 -0.17412 -0.29646 -0.25887 157 2S 0.10135 -0.29767 1.03404 1.01008 1.13661 158 21 O 1S 0.00236 0.00789 0.00258 0.00554 0.01246 159 2S -0.06277 -0.25679 0.07324 0.04121 0.02688 160 2PX 0.06071 -0.11460 -0.02358 -0.03451 -0.04238 161 2PY 0.04014 0.16503 -0.01473 0.06043 0.12145 162 2PZ -0.06623 -0.17194 0.01511 0.05708 0.02553 163 3S 0.00311 0.07251 -0.34701 -0.21150 -0.26353 164 3PX 0.04193 0.21798 0.09158 0.12894 0.10914 165 3PY -0.00230 -0.33389 -0.07966 -0.14761 -0.35101 166 3PZ -0.01079 0.08130 -0.06612 -0.10992 -0.06772 167 4XX -0.02113 -0.09697 0.02555 -0.00552 0.02678 168 4YY -0.00190 -0.08520 0.00192 0.01517 -0.03012 169 4ZZ -0.02919 -0.06050 0.03116 0.02672 0.02923 170 4XY -0.00179 -0.04625 0.02085 0.02517 0.00424 171 4XZ -0.01734 -0.02515 0.00443 0.02154 0.01476 172 4YZ -0.00595 -0.01657 0.00429 0.00000 0.01255 173 22 O 1S -0.00236 0.00789 -0.00258 -0.00554 0.01246 174 2S 0.06277 -0.25679 -0.07324 -0.04121 0.02688 175 2PX -0.06071 -0.11460 0.02358 0.03452 -0.04238 176 2PY 0.04014 -0.16500 -0.01472 0.06044 -0.12145 177 2PZ 0.06624 -0.17197 -0.01511 -0.05707 0.02552 178 3S -0.00310 0.07252 0.34701 0.21150 -0.26353 179 3PX -0.04193 0.21798 -0.09158 -0.12895 0.10914 180 3PY -0.00231 0.33387 -0.07967 -0.14764 0.35102 181 3PZ 0.01079 0.08135 0.06611 0.10989 -0.06766 182 4XX 0.02113 -0.09697 -0.02555 0.00553 0.02678 183 4YY 0.00191 -0.08520 -0.00192 -0.01517 -0.03011 184 4ZZ 0.02918 -0.06049 -0.03116 -0.02672 0.02922 185 4XY -0.00180 0.04625 0.02085 0.02518 -0.00424 186 4XZ 0.01734 -0.02514 -0.00442 -0.02154 0.01476 187 4YZ -0.00595 0.01657 0.00430 0.00000 -0.01257 188 23 H 1S 0.00000 0.03575 0.00000 0.00000 0.07715 189 2S 0.00001 -0.04219 0.00000 0.00000 -0.07141 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S -0.01246 -0.00115 0.00703 -0.00839 -0.00500 2 2S -0.10050 0.10243 -0.11913 0.22247 -0.10246 3 2PX -0.22049 0.18623 0.33438 -0.08950 0.06200 4 2PY -0.10664 -0.10929 -0.16591 -0.19089 0.06352 5 2PZ -0.25773 0.20280 0.27851 -0.25475 -0.00494 6 3S 0.10822 -1.06323 0.04566 -0.90042 0.46185 7 3PX 0.58523 -1.30085 -1.38359 0.31163 0.05061 8 3PY 0.27980 0.62040 1.08448 0.73550 -0.14693 9 3PZ 0.63874 -1.23300 -1.13689 0.67328 0.08963 10 4XX -0.00075 -0.02077 -0.02333 0.04777 0.01913 11 4YY -0.02572 0.02136 0.01024 -0.00918 -0.01481 12 4ZZ 0.02259 -0.02081 -0.01907 -0.00777 -0.02187 13 4XY -0.03478 -0.00796 0.03024 -0.00217 0.02178 14 4XZ -0.02786 -0.03835 -0.00104 -0.00086 0.00503 15 4YZ -0.03860 -0.00378 0.02881 0.00365 -0.01501 16 2 C 1S -0.01246 0.00115 -0.00703 -0.00839 -0.00500 17 2S -0.10046 -0.10248 0.11913 0.22247 -0.10246 18 2PX -0.22040 -0.18632 -0.33439 -0.08951 0.06201 19 2PY 0.10674 -0.10922 -0.16585 0.19093 -0.06352 20 2PZ -0.25761 -0.20292 -0.27856 -0.25472 -0.00495 21 3S 0.10778 1.06330 -0.04566 -0.90042 0.46186 22 3PX 0.58461 1.30108 1.38363 0.31165 0.05061 23 3PY -0.28022 0.62009 1.08426 -0.73560 0.14693 24 3PZ 0.63812 1.23333 1.13711 0.67317 0.08965 25 4XX -0.00076 0.02077 0.02333 0.04777 0.01913 26 4YY -0.02572 -0.02137 -0.01025 -0.00918 -0.01482 27 4ZZ 0.02259 0.02082 0.01908 -0.00777 -0.02186 28 4XY 0.03479 -0.00796 0.03024 0.00217 -0.02178 29 4XZ -0.02787 0.03834 0.00104 -0.00086 0.00503 30 4YZ 0.03859 -0.00378 0.02881 -0.00365 0.01501 31 3 C 1S 0.00206 0.02135 -0.02361 0.01639 0.00615 32 2S -0.17391 -0.37343 0.21051 -0.23065 -0.11129 33 2PX -0.05500 -0.12772 -0.11755 -0.05373 0.01994 34 2PY -0.20860 -0.61760 0.14226 -0.23607 -0.26364 35 2PZ -0.04363 -0.12017 -0.21374 0.06380 -0.02680 36 3S -0.05983 -0.01000 -1.22511 0.36655 0.31455 37 3PX 0.17913 0.88181 0.94843 -0.23002 0.03646 38 3PY 0.71185 1.86299 -0.13677 0.79226 0.44635 39 3PZ 0.05864 0.93815 1.13509 -0.41118 0.33614 40 4XX -0.02043 -0.06445 0.01697 -0.05983 -0.03332 41 4YY 0.00910 0.07702 -0.04753 0.01931 0.04422 42 4ZZ -0.02909 -0.06044 0.02158 0.01071 -0.02962 43 4XY -0.00814 -0.03106 -0.04839 0.01337 -0.00579 44 4XZ -0.02290 -0.02799 -0.00813 -0.03227 -0.00730 45 4YZ -0.03282 -0.05421 -0.02206 0.00045 -0.01769 46 4 C 1S -0.00449 0.00103 -0.00613 -0.00794 0.01277 47 2S -0.25366 -0.11027 0.07381 0.11592 0.04831 48 2PX 0.16332 -0.01699 0.31221 -0.45792 -0.26019 49 2PY -0.05510 0.04204 0.17690 -0.02627 -0.05498 50 2PZ -0.21158 -0.24048 -0.06635 0.10708 -0.08727 51 3S 0.66165 0.52301 -0.30488 0.28221 -0.28358 52 3PX -0.12410 0.05497 -0.62314 0.85901 0.44120 53 3PY 0.09570 -0.60879 -0.91147 0.16132 -0.14831 54 3PZ 0.23865 0.89480 0.51278 -0.35126 0.06876 55 4XX -0.02814 -0.01882 -0.02323 0.00424 0.02409 56 4YY -0.04046 -0.00675 0.01680 0.03688 -0.02474 57 4ZZ 0.01963 0.02097 0.00675 -0.01727 0.01588 58 4XY -0.06970 0.01141 -0.01403 0.01027 0.01561 59 4XZ -0.01369 0.01004 -0.03610 0.07607 0.01082 60 4YZ 0.05891 0.04882 -0.00004 0.00325 0.02985 61 5 C 1S -0.00449 -0.00103 0.00613 -0.00794 0.01277 62 2S -0.25370 0.11017 -0.07382 0.11592 0.04831 63 2PX 0.16333 0.01706 -0.31220 -0.45792 -0.26018 64 2PY 0.05511 0.04202 0.17689 0.02625 0.05499 65 2PZ -0.21167 0.24040 0.06636 0.10709 -0.08726 66 3S 0.66185 -0.52275 0.30493 0.28221 -0.28358 67 3PX -0.12413 -0.05503 0.62313 0.85900 0.44119 68 3PY -0.09543 -0.60867 -0.91140 -0.16127 0.14829 69 3PZ 0.23903 -0.89480 -0.51292 -0.35131 0.06878 70 4XX -0.02815 0.01881 0.02323 0.00424 0.02409 71 4YY -0.04045 0.00672 -0.01680 0.03688 -0.02473 72 4ZZ 0.01962 -0.02095 -0.00674 -0.01728 0.01588 73 4XY 0.06970 0.01144 -0.01404 -0.01028 -0.01561 74 4XZ -0.01368 -0.01004 0.03610 0.07607 0.01082 75 4YZ -0.05894 0.04880 -0.00005 -0.00324 -0.02986 76 6 C 1S 0.00207 -0.02135 0.02361 0.01639 0.00615 77 2S -0.17405 0.37336 -0.21052 -0.23064 -0.11129 78 2PX -0.05506 0.12769 0.11755 -0.05373 0.01994 79 2PY 0.20885 -0.61754 0.14224 0.23605 0.26364 80 2PZ -0.04365 0.12004 0.21376 0.06384 -0.02676 81 3S -0.05991 0.00998 1.22511 0.36655 0.31455 82 3PX 0.17955 -0.88173 -0.94843 -0.23003 0.03645 83 3PY -0.71262 1.86289 -0.13662 -0.79217 -0.44641 84 3PZ 0.05897 -0.93780 -1.13512 -0.41134 0.33605 85 4XX -0.02045 0.06445 -0.01697 -0.05983 -0.03332 86 4YY 0.00912 -0.07700 0.04753 0.01931 0.04421 87 4ZZ -0.02911 0.06041 -0.02159 0.01071 -0.02962 88 4XY 0.00816 -0.03106 -0.04839 -0.01337 0.00579 89 4XZ -0.02291 0.02798 0.00813 -0.03228 -0.00730 90 4YZ 0.03285 -0.05422 -0.02204 -0.00045 0.01770 91 7 H 1S -0.17061 0.02097 0.15785 0.01110 0.02030 92 2S 0.72514 -0.47307 -0.73560 0.78914 -0.07413 93 8 H 1S -0.17059 -0.02103 -0.15787 0.01110 0.02031 94 2S 0.72490 0.47333 0.73565 0.78915 -0.07414 95 9 H 1S 0.13037 0.39999 -0.18835 0.23014 0.27825 96 2S -0.57817 -1.60550 0.50227 -0.77218 -0.58643 97 10 H 1S -0.21857 -0.04638 -0.24285 0.08353 0.20424 98 2S 0.08732 -0.21213 0.70971 -0.71842 -0.26864 99 11 H 1S -0.21860 0.04629 0.24284 0.08353 0.20423 100 2S 0.08730 0.21217 -0.70970 -0.71842 -0.26863 101 12 H 1S 0.13052 -0.39994 0.18836 0.23014 0.27825 102 2S -0.57880 1.60528 -0.50231 -0.77216 -0.58643 103 13 H 1S 0.31817 -0.01577 -0.13437 -0.28655 0.11514 104 2S -0.63581 0.36929 0.35595 0.78223 0.15322 105 14 H 1S 0.31815 0.01590 0.13439 -0.28655 0.11514 106 2S -0.63562 -0.36955 -0.35599 0.78223 0.15323 107 15 C 1S 0.00219 0.00502 -0.00752 0.00499 0.00011 108 2S -0.38608 0.08273 0.25011 -0.04365 -0.02172 109 2PX -0.07943 -0.03177 0.00784 0.06988 0.09928 110 2PY 0.17631 -0.06634 -0.09105 0.09677 0.06931 111 2PZ 0.28380 0.02276 -0.37528 -0.00115 0.07430 112 3S 0.95106 -0.40492 -0.66145 0.07900 0.08802 113 3PX 0.03045 0.06369 0.00006 -0.17656 -0.23620 114 3PY -0.45440 -0.18178 0.25447 -0.22486 -0.08136 115 3PZ -0.50567 -0.12302 1.04783 -0.11535 -0.15152 116 4XX -0.02976 0.00458 0.03131 -0.00712 -0.01459 117 4YY -0.01575 0.00211 0.01787 0.01744 0.00752 118 4ZZ -0.01386 -0.00098 -0.01031 -0.02251 0.00087 119 4XY 0.04674 -0.00608 -0.00208 0.00817 0.01543 120 4XZ 0.02047 -0.00503 -0.01020 -0.02420 0.03472 121 4YZ 0.06428 0.00491 -0.02106 -0.02715 -0.00865 122 16 C 1S 0.00220 -0.00502 0.00752 0.00499 0.00011 123 2S -0.38603 -0.08290 -0.25012 -0.04365 -0.02172 124 2PX -0.07945 0.03174 -0.00784 0.06989 0.09928 125 2PY -0.17633 -0.06641 -0.09112 -0.09677 -0.06932 126 2PZ 0.28376 -0.02265 0.37528 -0.00117 0.07429 127 3S 0.95085 0.40534 0.66150 0.07900 0.08802 128 3PX 0.03048 -0.06368 -0.00005 -0.17656 -0.23620 129 3PY 0.45454 -0.18160 0.25467 0.22488 0.08138 130 3PZ -0.50559 0.12277 -1.04781 -0.11530 -0.15151 131 4XX -0.02976 -0.00459 -0.03131 -0.00712 -0.01459 132 4YY -0.01573 -0.00212 -0.01786 0.01743 0.00752 133 4ZZ -0.01388 0.00098 0.01030 -0.02251 0.00088 134 4XY -0.04674 -0.00610 -0.00208 -0.00816 -0.01544 135 4XZ 0.02046 0.00504 0.01020 -0.02420 0.03472 136 4YZ -0.06429 0.00488 -0.02107 0.02716 0.00865 137 17 C 1S -0.00137 0.00000 0.00000 -0.01681 0.00577 138 2S 0.11503 0.00002 0.00000 0.34442 -0.95893 139 2PX 0.15854 0.00003 0.00000 -0.02500 -0.45035 140 2PY 0.00000 0.01368 0.05813 -0.00003 0.00002 141 2PZ -0.09567 -0.00002 0.00000 0.31330 -0.25015 142 3S -0.37858 -0.00008 0.00000 -0.90193 2.60469 143 3PX -0.29852 -0.00006 -0.00001 0.21151 0.67190 144 3PY -0.00004 0.00317 -0.18112 0.00005 -0.00001 145 3PZ 0.50221 0.00011 0.00000 -0.63952 0.15571 146 4XX 0.00013 0.00000 0.00000 0.01002 -0.01699 147 4YY -0.02863 0.00000 0.00000 0.05319 -0.06143 148 4ZZ 0.02662 0.00000 0.00000 -0.06109 0.01458 149 4XY 0.00000 0.00196 -0.01273 0.00000 0.00000 150 4XZ 0.04069 0.00001 0.00000 0.00322 -0.00553 151 4YZ 0.00000 -0.01885 0.01641 0.00001 -0.00001 152 18 H 1S 0.24844 0.00898 0.27865 -0.07545 -0.00253 153 2S -0.91983 0.04253 -0.95951 -0.06876 -0.14604 154 19 H 1S -0.00466 0.00000 0.00000 -0.39981 0.39559 155 2S -0.32204 -0.00007 -0.00001 1.09909 -0.93597 156 20 H 1S 0.24846 -0.00887 -0.27864 -0.07545 -0.00253 157 2S -0.91986 -0.04294 0.95946 -0.06876 -0.14604 158 21 O 1S -0.00683 -0.00094 0.00074 -0.00210 -0.00073 159 2S 0.00168 0.05292 0.03019 0.01557 -0.14973 160 2PX 0.03414 0.01029 -0.04328 0.03438 0.00863 161 2PY -0.08588 -0.05061 0.00107 -0.07889 0.21774 162 2PZ -0.00084 -0.01228 0.07995 0.00868 0.02339 163 3S 0.09085 -0.03890 -0.20300 0.10010 0.12751 164 3PX 0.00570 -0.02931 0.07826 -0.10978 -0.15100 165 3PY 0.23131 0.08954 -0.01151 0.19057 -0.31803 166 3PZ 0.02335 0.02389 -0.18138 0.02400 -0.09462 167 4XX -0.01635 0.00976 0.01004 0.01979 -0.04623 168 4YY 0.04395 0.01019 -0.00336 -0.01387 -0.03787 169 4ZZ -0.02346 0.02936 0.01242 0.02530 -0.07806 170 4XY -0.00022 -0.00688 0.01240 0.01127 -0.02717 171 4XZ -0.01924 0.00929 0.00564 0.01334 -0.01234 172 4YZ -0.01461 0.00506 0.00058 0.02857 -0.02710 173 22 O 1S -0.00683 0.00094 -0.00074 -0.00210 -0.00073 174 2S 0.00170 -0.05292 -0.03019 0.01557 -0.14973 175 2PX 0.03414 -0.01028 0.04328 0.03438 0.00863 176 2PY 0.08590 -0.05057 0.00108 0.07889 -0.21774 177 2PZ -0.00083 0.01227 -0.07996 0.00869 0.02335 178 3S 0.09082 0.03894 0.20300 0.10010 0.12751 179 3PX 0.00569 0.02931 -0.07826 -0.10978 -0.15101 180 3PY -0.23135 0.08944 -0.01154 -0.19057 0.31804 181 3PZ 0.02331 -0.02386 0.18137 0.02397 -0.09457 182 4XX -0.01634 -0.00977 -0.01004 0.01979 -0.04623 183 4YY 0.04395 -0.01017 0.00336 -0.01387 -0.03787 184 4ZZ -0.02344 -0.02937 -0.01242 0.02529 -0.07805 185 4XY 0.00022 -0.00688 0.01241 -0.01127 0.02717 186 4XZ -0.01924 -0.00930 -0.00564 0.01334 -0.01234 187 4YZ 0.01462 0.00507 0.00059 -0.02858 0.02711 188 23 H 1S -0.05167 -0.00001 0.00000 -0.12113 0.34703 189 2S 0.41077 0.00008 0.00001 0.03815 -1.26434 101 102 103 104 105 V V V V V Eigenvalues -- 0.93716 0.94030 0.95123 1.00793 1.01440 1 1 C 1S 0.00093 0.00626 -0.00337 -0.01326 -0.01530 2 2S -0.33659 -0.25520 0.25452 -0.46598 -0.49414 3 2PX 0.00598 0.10588 0.04303 0.12728 -0.10291 4 2PY 0.06951 0.08044 -0.27274 -0.27571 0.19422 5 2PZ 0.04207 0.18672 0.06743 0.14919 0.07546 6 3S 1.22565 0.00969 -0.85500 1.85089 1.66995 7 3PX 0.12589 -0.23181 -0.91470 -1.13485 0.08691 8 3PY -0.46920 0.26402 2.07331 2.34366 -0.98540 9 3PZ 0.05995 -0.30541 -0.84464 -1.23807 -0.24933 10 4XX -0.00622 -0.01928 -0.00076 -0.02105 -0.01981 11 4YY -0.01670 -0.04812 0.03743 0.02622 -0.02319 12 4ZZ -0.02343 0.03338 -0.01377 -0.06152 -0.02410 13 4XY -0.01124 0.02313 0.01310 -0.00546 0.00861 14 4XZ 0.00245 0.03608 -0.03191 -0.06790 -0.02812 15 4YZ -0.00737 0.08448 0.01241 -0.03103 -0.05309 16 2 C 1S -0.00093 0.00626 0.00337 0.01326 -0.01530 17 2S 0.33659 -0.25520 -0.25453 0.46600 -0.49413 18 2PX -0.00597 0.10588 -0.04303 -0.12728 -0.10291 19 2PY 0.06951 -0.08047 -0.27273 -0.27568 -0.19423 20 2PZ -0.04206 0.18671 -0.06747 -0.14923 0.07543 21 3S -1.22565 0.00971 0.85500 -1.85093 1.66993 22 3PX -0.12590 -0.23182 0.91471 1.13486 0.08690 23 3PY -0.46919 -0.26400 2.07316 2.34344 0.98542 24 3PZ -0.06003 -0.30547 0.84498 1.23845 -0.24918 25 4XX 0.00622 -0.01928 0.00076 0.02105 -0.01981 26 4YY 0.01670 -0.04809 -0.03744 -0.02621 -0.02321 27 4ZZ 0.02343 0.03336 0.01378 0.06151 -0.02408 28 4XY -0.01124 -0.02313 0.01310 -0.00547 -0.00860 29 4XZ -0.00245 0.03608 0.03192 0.06789 -0.02812 30 4YZ -0.00737 -0.08450 0.01240 -0.03105 0.05309 31 3 C 1S 0.00660 -0.00251 -0.01119 0.00773 0.00070 32 2S 0.19126 -0.44876 0.08950 0.43179 -0.03880 33 2PX 0.19680 0.04229 -0.30456 0.04065 -0.10220 34 2PY 0.04375 -0.38618 0.15198 0.08628 -0.05157 35 2PZ 0.10030 0.01489 -0.18351 -0.09760 -0.04420 36 3S -0.45000 1.17940 -1.33046 -2.11467 -0.29278 37 3PX -0.90173 -0.28340 1.62841 0.82997 0.60059 38 3PY -0.21404 0.81397 -0.13509 -0.22270 -0.44538 39 3PZ -0.83539 -0.55061 1.55448 0.50010 0.59667 40 4XX 0.03643 -0.04931 0.00151 -0.04644 -0.04190 41 4YY 0.04184 0.00234 -0.02674 0.08330 0.09365 42 4ZZ -0.04564 -0.02311 0.00242 -0.00309 -0.06586 43 4XY -0.00981 0.02777 0.01680 0.05919 -0.03021 44 4XZ 0.02713 -0.01992 -0.07267 -0.00968 0.02953 45 4YZ 0.01717 0.00139 -0.01103 -0.04280 -0.04312 46 4 C 1S 0.02677 -0.02132 0.01204 0.00231 0.00030 47 2S -0.57973 -0.17167 -0.32960 0.23143 0.47162 48 2PX 0.06464 0.12029 -0.18190 0.07884 0.05700 49 2PY -0.27476 -0.03065 0.00182 0.01396 0.05810 50 2PZ -0.22353 -0.13513 -0.13700 0.09018 0.24374 51 3S 1.42023 0.73745 0.29110 -0.85140 -1.37876 52 3PX -0.13418 -0.30732 0.09430 -0.66661 -0.11438 53 3PY 1.15242 0.16438 -0.81321 0.22175 -0.15014 54 3PZ -0.07723 0.05221 0.71970 -0.15261 -0.08903 55 4XX 0.00366 -0.03287 0.06415 0.02520 -0.07386 56 4YY -0.04817 0.00036 -0.01243 0.00869 0.07129 57 4ZZ -0.00400 -0.01708 -0.09213 -0.00719 0.07071 58 4XY -0.00637 -0.05402 0.03011 0.02347 0.03531 59 4XZ -0.06432 -0.00479 0.02229 0.07107 0.00546 60 4YZ 0.01592 -0.01512 0.00660 -0.00040 0.03390 61 5 C 1S -0.02677 -0.02131 -0.01204 -0.00231 0.00030 62 2S 0.57972 -0.17168 0.32961 -0.23142 0.47162 63 2PX -0.06464 0.12030 0.18190 -0.07883 0.05701 64 2PY -0.27479 0.03067 0.00180 0.01398 -0.05814 65 2PZ 0.22348 -0.13513 0.13700 -0.09018 0.24372 66 3S -1.42021 0.73748 -0.29109 0.85138 -1.37876 67 3PX 0.13418 -0.30733 -0.09431 0.66661 -0.11437 68 3PY 1.15240 -0.16441 -0.81309 0.22173 0.15016 69 3PZ 0.07742 0.05218 -0.71983 0.15264 -0.08899 70 4XX -0.00366 -0.03287 -0.06415 -0.02520 -0.07386 71 4YY 0.04816 0.00036 0.01243 -0.00869 0.07130 72 4ZZ 0.00400 -0.01708 0.09214 0.00719 0.07069 73 4XY -0.00638 0.05402 0.03011 0.02348 -0.03531 74 4XZ 0.06432 -0.00478 -0.02229 -0.07107 0.00546 75 4YZ 0.01593 0.01512 0.00659 -0.00040 -0.03390 76 6 C 1S -0.00660 -0.00251 0.01119 -0.00773 0.00070 77 2S -0.19127 -0.44875 -0.08950 -0.43180 -0.03880 78 2PX -0.19680 0.04229 0.30456 -0.04065 -0.10220 79 2PY 0.04378 0.38617 0.15195 0.08627 0.05158 80 2PZ -0.10029 0.01496 0.18354 0.09762 -0.04419 81 3S 0.45003 1.17936 1.33047 2.11471 -0.29280 82 3PX 0.90172 -0.28339 -1.62841 -0.82999 0.60060 83 3PY -0.21421 -0.81386 -0.13483 -0.22261 0.44527 84 3PZ 0.83535 -0.55075 -1.55451 -0.50015 0.59677 85 4XX -0.03644 -0.04931 -0.00151 0.04644 -0.04190 86 4YY -0.04184 0.00234 0.02674 -0.08328 0.09364 87 4ZZ 0.04564 -0.02311 -0.00242 0.00308 -0.06585 88 4XY -0.00981 -0.02776 0.01678 0.05919 0.03021 89 4XZ -0.02713 -0.01993 0.07267 0.00969 0.02953 90 4YZ 0.01716 -0.00138 -0.01103 -0.04282 0.04316 91 7 H 1S 0.03555 0.32954 -0.13422 -0.22530 -0.25391 92 2S -0.32556 -0.57765 0.29793 -0.22918 -0.46372 93 8 H 1S -0.03554 0.32954 0.13423 0.22530 -0.25391 94 2S 0.32555 -0.57765 -0.29794 0.22918 -0.46372 95 9 H 1S 0.02889 0.19362 -0.14243 0.13036 0.39256 96 2S 0.14805 -0.96788 0.38186 0.15617 -0.14085 97 10 H 1S 0.22158 -0.23252 0.43751 0.12797 -0.24176 98 2S -0.50204 0.26417 -0.59464 0.23965 0.60259 99 11 H 1S -0.22158 -0.23251 -0.43752 -0.12797 -0.24176 100 2S 0.50205 0.26416 0.59465 -0.23963 0.60258 101 12 H 1S -0.02888 0.19362 0.14243 -0.13036 0.39256 102 2S -0.14808 -0.96787 -0.38187 -0.15618 -0.14085 103 13 H 1S -0.50825 -0.05331 -0.05890 0.23800 -0.19776 104 2S 1.05453 -0.35865 0.10128 -0.24326 0.44802 105 14 H 1S 0.50825 -0.05333 0.05890 -0.23801 -0.19776 106 2S -1.05454 -0.35862 -0.10128 0.24326 0.44802 107 15 C 1S 0.00269 -0.01083 -0.00758 -0.01582 0.00961 108 2S -0.10730 0.13798 0.13133 -0.81394 0.22035 109 2PX -0.06104 -0.16646 0.02462 0.07810 -0.09886 110 2PY -0.19487 -0.15638 0.10341 -0.03336 0.02831 111 2PZ 0.04508 -0.26767 -0.05779 0.15583 -0.01251 112 3S 0.20998 -0.52822 -0.06298 2.52076 -0.44922 113 3PX -0.08626 0.23859 0.23134 -0.17173 0.29549 114 3PY 0.48059 0.37848 -0.16714 0.52526 0.13324 115 3PZ -0.86802 0.52108 0.70187 -0.65604 0.06546 116 4XX 0.00886 0.02848 0.01586 -0.03441 -0.02806 117 4YY 0.01794 0.00035 -0.00433 -0.01008 0.03106 118 4ZZ -0.04428 -0.01219 0.01947 -0.05309 0.02126 119 4XY -0.00086 0.05105 0.00013 -0.00126 -0.05775 120 4XZ -0.05261 -0.01033 0.03495 -0.04567 -0.03850 121 4YZ -0.02782 -0.04387 0.02378 -0.00557 0.03674 122 16 C 1S -0.00269 -0.01083 0.00758 0.01582 0.00961 123 2S 0.10730 0.13798 -0.13132 0.81394 0.22035 124 2PX 0.06104 -0.16646 -0.02462 -0.07810 -0.09886 125 2PY -0.19486 0.15643 0.10340 -0.03333 -0.02831 126 2PZ -0.04512 -0.26765 0.05780 -0.15584 -0.01252 127 3S -0.20998 -0.52822 0.06297 -2.52076 -0.44921 128 3PX 0.08626 0.23858 -0.23133 0.17173 0.29549 129 3PY 0.48044 -0.37857 -0.16703 0.52515 -0.13326 130 3PZ 0.86811 0.52101 -0.70189 0.65613 0.06545 131 4XX -0.00886 0.02849 -0.01586 0.03441 -0.02806 132 4YY -0.01793 0.00033 0.00432 0.01009 0.03107 133 4ZZ 0.04427 -0.01218 -0.01946 0.05309 0.02125 134 4XY -0.00087 -0.05105 0.00014 -0.00127 0.05776 135 4XZ 0.05261 -0.01034 -0.03496 0.04567 -0.03849 136 4YZ -0.02783 0.04387 0.02378 -0.00558 -0.03674 137 17 C 1S 0.00000 0.00221 0.00000 0.00000 0.03072 138 2S 0.00000 -0.06401 0.00001 0.00000 0.54744 139 2PX 0.00000 0.13800 0.00000 0.00000 0.00645 140 2PY 0.01829 0.00000 -0.11486 0.01182 0.00000 141 2PZ 0.00000 0.00182 -0.00001 0.00000 -0.00339 142 3S 0.00001 -0.06990 -0.00002 0.00001 -1.11885 143 3PX 0.00000 0.08391 0.00000 0.00001 0.03352 144 3PY -0.12183 -0.00003 0.44937 0.05079 0.00000 145 3PZ -0.00001 0.31993 0.00004 0.00001 -0.07538 146 4XX 0.00000 -0.01130 0.00000 0.00000 -0.00462 147 4YY 0.00000 -0.05704 0.00000 0.00000 0.05955 148 4ZZ 0.00000 0.04847 0.00000 0.00000 0.04993 149 4XY 0.04030 0.00000 0.04890 0.01249 0.00000 150 4XZ 0.00000 0.02221 0.00000 0.00000 -0.00606 151 4YZ -0.02862 -0.00001 -0.01799 -0.01849 0.00000 152 18 H 1S 0.27735 -0.18566 -0.14088 0.02193 0.14023 153 2S 0.01093 0.70129 -0.15927 0.71346 0.12570 154 19 H 1S 0.00000 0.09060 0.00000 0.00000 0.13885 155 2S -0.00001 -0.37480 0.00000 -0.00001 0.10993 156 20 H 1S -0.27735 -0.18566 0.14087 -0.02193 0.14022 157 2S -0.01091 0.70129 0.15928 -0.71346 0.12570 158 21 O 1S -0.00954 -0.00331 0.00861 -0.00800 -0.00260 159 2S -0.01610 0.02248 -0.14146 -0.09462 0.01580 160 2PX 0.13685 0.00523 0.10107 -0.01816 0.06755 161 2PY -0.01932 -0.14675 0.11237 -0.05901 0.12797 162 2PZ -0.04490 0.05077 -0.21536 0.06368 -0.01974 163 3S 0.33805 -0.02731 0.04998 0.15620 0.13120 164 3PX -0.38663 0.03446 0.11441 0.00540 -0.11018 165 3PY 0.05715 0.16086 -0.18454 0.08446 -0.12163 166 3PZ -0.00674 -0.08076 0.32893 -0.00429 0.05007 167 4XX -0.01960 0.00598 -0.07369 -0.04059 0.00254 168 4YY -0.03567 0.02169 -0.00346 -0.06418 -0.00327 169 4ZZ 0.03847 0.00233 -0.02748 0.00579 0.00205 170 4XY 0.01737 0.00599 -0.00552 0.01221 0.04040 171 4XZ 0.00830 -0.02935 -0.01717 -0.04140 0.00382 172 4YZ 0.00035 -0.02008 -0.00113 0.02117 0.01867 173 22 O 1S 0.00954 -0.00331 -0.00861 0.00800 -0.00260 174 2S 0.01610 0.02248 0.14146 0.09462 0.01579 175 2PX -0.13685 0.00524 -0.10106 0.01816 0.06755 176 2PY -0.01933 0.14674 0.11234 -0.05900 -0.12797 177 2PZ 0.04489 0.05079 0.21538 -0.06369 -0.01976 178 3S -0.33805 -0.02730 -0.04998 -0.15621 0.13121 179 3PX 0.38663 0.03445 -0.11442 -0.00540 -0.11017 180 3PY 0.05715 -0.16085 -0.18449 0.08446 0.12163 181 3PZ 0.00674 -0.08079 -0.32896 0.00431 0.05009 182 4XX 0.01960 0.00598 0.07369 0.04059 0.00254 183 4YY 0.03567 0.02168 0.00346 0.06418 -0.00327 184 4ZZ -0.03847 0.00234 0.02748 -0.00578 0.00204 185 4XY 0.01737 -0.00599 -0.00552 0.01220 -0.04040 186 4XZ -0.00830 -0.02935 0.01717 0.04140 0.00382 187 4YZ 0.00036 0.02008 -0.00114 0.02118 -0.01867 188 23 H 1S 0.00000 -0.15620 0.00000 0.00000 0.00056 189 2S 0.00000 0.14021 0.00001 0.00000 0.32616 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02724 1.09208 1.09920 1.11414 1 1 C 1S -0.00452 -0.01307 0.00843 0.01558 -0.01726 2 2S -0.29745 -0.43715 0.29755 0.56416 -0.48747 3 2PX 0.02352 0.00573 0.01866 0.08141 -0.10456 4 2PY -0.00011 0.15832 0.03452 0.01729 -0.00853 5 2PZ -0.01076 0.05174 0.01713 0.12160 0.00931 6 3S 1.19559 1.78104 -0.82311 -1.78012 0.98289 7 3PX 0.09729 0.20107 -0.10619 -0.69626 0.27272 8 3PY -0.21669 -0.73862 0.17768 0.14331 -0.16483 9 3PZ 0.23044 0.11085 -0.03050 -0.70165 0.04901 10 4XX 0.00146 0.00944 -0.00590 -0.00591 -0.04629 11 4YY -0.00557 -0.04088 0.00469 0.09246 -0.05716 12 4ZZ -0.02816 -0.03223 0.03391 -0.01840 0.05683 13 4XY -0.00585 -0.01964 0.00347 0.08273 -0.01810 14 4XZ -0.00394 -0.00935 0.01783 0.01968 -0.02808 15 4YZ -0.01053 -0.04164 0.00545 -0.01701 0.01906 16 2 C 1S 0.00452 -0.01307 -0.00843 0.01558 -0.01726 17 2S 0.29746 -0.43713 -0.29752 0.56416 -0.48746 18 2PX -0.02352 0.00573 -0.01866 0.08141 -0.10456 19 2PY -0.00011 -0.15834 0.03452 -0.01731 0.00853 20 2PZ 0.01076 0.05171 -0.01712 0.12160 0.00931 21 3S -1.19563 1.78098 0.82303 -1.78010 0.98287 22 3PX -0.09729 0.20110 0.10615 -0.69628 0.27272 23 3PY -0.21666 0.73864 0.17768 -0.14322 0.16481 24 3PZ -0.23049 0.11099 0.03050 -0.70169 0.04904 25 4XX -0.00146 0.00944 0.00590 -0.00591 -0.04629 26 4YY 0.00557 -0.04089 -0.00469 0.09245 -0.05716 27 4ZZ 0.02816 -0.03221 -0.03391 -0.01840 0.05682 28 4XY -0.00585 0.01964 0.00347 -0.08273 0.01810 29 4XZ 0.00394 -0.00935 -0.01783 0.01966 -0.02808 30 4YZ -0.01054 0.04164 0.00545 0.01704 -0.01909 31 3 C 1S -0.01109 0.00052 -0.01213 -0.02075 -0.01139 32 2S -0.20575 0.22186 0.11794 -0.82667 0.05678 33 2PX 0.13601 -0.11949 0.05080 0.03392 -0.00566 34 2PY -0.06597 -0.10436 0.05027 -0.03938 0.11170 35 2PZ -0.01930 -0.06912 -0.05425 0.10215 -0.05819 36 3S 0.97145 -1.03280 -0.34555 2.75150 -0.53093 37 3PX -0.49680 0.72867 0.16019 -0.40499 0.17690 38 3PY 0.01535 0.02754 -0.36816 -0.61474 -0.13554 39 3PZ -0.26054 0.58458 0.38295 -0.35695 0.16075 40 4XX 0.00484 -0.01554 -0.03850 0.02452 -0.01701 41 4YY -0.01069 0.04122 0.02372 -0.02318 0.02737 42 4ZZ -0.02254 -0.01535 0.00591 -0.09207 -0.01679 43 4XY 0.00820 0.00154 -0.00934 -0.02557 0.03091 44 4XZ 0.01037 -0.01610 -0.02318 0.01906 -0.03531 45 4YZ 0.00529 -0.00432 0.00485 0.02568 -0.05503 46 4 C 1S -0.00742 0.00466 0.01167 0.00040 -0.01168 47 2S -0.10487 -0.35511 -0.24800 -0.10972 -0.32102 48 2PX 0.06236 -0.01801 -0.07797 0.16479 -0.13877 49 2PY -0.06495 -0.23727 -0.11576 -0.08627 -0.02999 50 2PZ -0.05831 -0.26279 -0.10662 -0.06447 -0.03513 51 3S 0.35423 0.97378 0.33764 0.07212 0.77668 52 3PX 0.04624 0.02517 0.45748 -0.24332 0.42643 53 3PY 0.19433 0.39308 0.34359 0.18781 0.19189 54 3PZ 0.15293 0.59319 0.32316 0.51764 0.12851 55 4XX -0.01652 0.01517 0.02902 -0.01048 -0.01836 56 4YY -0.00418 -0.03536 -0.02047 -0.00065 -0.04197 57 4ZZ -0.00477 -0.02501 -0.03151 -0.00570 0.00573 58 4XY -0.01184 0.11388 0.01238 0.09028 0.03025 59 4XZ -0.01821 0.01734 0.02201 -0.02384 0.05804 60 4YZ 0.00533 0.01916 0.02011 0.04158 0.05641 61 5 C 1S 0.00742 0.00466 -0.01167 0.00040 -0.01168 62 2S 0.10488 -0.35511 0.24801 -0.10974 -0.32102 63 2PX -0.06236 -0.01801 0.07798 0.16479 -0.13877 64 2PY -0.06497 0.23732 -0.11577 0.08629 0.03000 65 2PZ 0.05831 -0.26274 0.10660 -0.06446 -0.03512 66 3S -0.35428 0.97378 -0.33766 0.07214 0.77665 67 3PX -0.04624 0.02519 -0.45749 -0.24330 0.42644 68 3PY 0.19437 -0.39316 0.34364 -0.18792 -0.19191 69 3PZ -0.15291 0.59312 -0.32308 0.51763 0.12847 70 4XX 0.01652 0.01517 -0.02902 -0.01048 -0.01836 71 4YY 0.00418 -0.03535 0.02046 -0.00064 -0.04195 72 4ZZ 0.00477 -0.02501 0.03152 -0.00571 0.00571 73 4XY -0.01184 -0.11389 0.01238 -0.09027 -0.03026 74 4XZ 0.01821 0.01732 -0.02201 -0.02385 0.05803 75 4YZ 0.00533 -0.01916 0.02011 -0.04158 -0.05642 76 6 C 1S 0.01109 0.00052 0.01213 -0.02075 -0.01139 77 2S 0.20575 0.22186 -0.11798 -0.82666 0.05679 78 2PX -0.13600 -0.11949 -0.05079 0.03392 -0.00566 79 2PY -0.06597 0.10438 0.05026 0.03936 -0.11168 80 2PZ 0.01929 -0.06910 0.05426 0.10215 -0.05821 81 3S -0.97142 -1.03279 0.34568 2.75147 -0.53094 82 3PX 0.49679 0.72866 -0.16020 -0.40498 0.17690 83 3PY 0.01532 -0.02765 -0.36807 0.61484 0.13551 84 3PZ 0.26053 0.58458 -0.38302 -0.35683 0.16078 85 4XX -0.00484 -0.01554 0.03850 0.02451 -0.01701 86 4YY 0.01068 0.04122 -0.02373 -0.02317 0.02736 87 4ZZ 0.02254 -0.01535 -0.00591 -0.09208 -0.01677 88 4XY 0.00821 -0.00154 -0.00934 0.02557 -0.03090 89 4XZ -0.01037 -0.01610 0.02318 0.01906 -0.03531 90 4YZ 0.00529 0.00433 0.00484 -0.02566 0.05504 91 7 H 1S -0.03480 -0.04339 0.08732 -0.10263 -0.02508 92 2S -0.14770 -0.35014 0.09979 -0.10682 -0.16502 93 8 H 1S 0.03480 -0.04339 -0.08733 -0.10263 -0.02508 94 2S 0.14771 -0.35013 -0.09979 -0.10683 -0.16502 95 9 H 1S -0.03656 0.12770 0.05125 0.10784 -0.09519 96 2S -0.20899 0.00666 0.25282 -0.29642 0.19271 97 10 H 1S -0.07031 0.43234 0.29347 0.14167 0.09253 98 2S -0.09407 -1.12722 -0.88191 -0.22935 -0.75496 99 11 H 1S 0.07030 0.43234 -0.29347 0.14168 0.09253 100 2S 0.09411 -1.12722 0.88191 -0.22940 -0.75495 101 12 H 1S 0.03656 0.12770 -0.05124 0.10784 -0.09519 102 2S 0.20899 0.00666 -0.25283 -0.29641 0.19271 103 13 H 1S -0.06510 0.07295 -0.17694 -0.05066 -0.00833 104 2S 0.28557 -0.46905 0.23002 -0.38041 -0.01449 105 14 H 1S 0.06509 0.07295 0.17694 -0.05067 -0.00834 106 2S -0.28555 -0.46906 -0.23003 -0.38039 -0.01450 107 15 C 1S 0.01055 -0.00075 0.00464 0.00903 0.01456 108 2S -0.10624 0.04447 -0.08644 -0.21100 0.32885 109 2PX 0.18610 -0.06361 0.06182 0.13919 -0.16816 110 2PY -0.18765 -0.06820 0.01287 -0.00796 0.05672 111 2PZ 0.04731 -0.09599 -0.13367 0.01315 0.05951 112 3S 1.28403 -0.24478 0.37748 0.44935 -0.04586 113 3PX -0.36660 0.04005 0.16549 0.21843 0.43587 114 3PY 1.23307 0.18473 0.21586 0.03854 -0.33712 115 3PZ 0.10737 0.17248 1.10042 0.11938 -0.13297 116 4XX 0.01129 0.00967 -0.04105 0.05139 -0.02851 117 4YY 0.01929 -0.00773 0.00394 -0.05471 0.04721 118 4ZZ 0.02236 0.00411 0.05028 0.04400 0.02867 119 4XY 0.00689 -0.01587 0.01312 0.01726 -0.01438 120 4XZ 0.07234 0.01511 0.01461 -0.01270 0.00874 121 4YZ 0.00020 0.04935 0.00215 -0.05334 -0.08907 122 16 C 1S -0.01055 -0.00075 -0.00464 0.00903 0.01455 123 2S 0.10624 0.04448 0.08643 -0.21100 0.32884 124 2PX -0.18610 -0.06362 -0.06182 0.13919 -0.16816 125 2PY -0.18764 0.06821 0.01285 0.00795 -0.05673 126 2PZ -0.04733 -0.09598 0.13368 0.01314 0.05950 127 3S -1.28403 -0.24485 -0.37747 0.44935 -0.04582 128 3PX 0.36660 0.04006 -0.16548 0.21843 0.43588 129 3PY 1.23309 -0.18472 0.21604 -0.03856 0.33712 130 3PZ -0.10717 0.17246 -1.10038 0.11941 -0.13291 131 4XX -0.01129 0.00967 0.04105 0.05139 -0.02851 132 4YY -0.01929 -0.00772 -0.00394 -0.05473 0.04718 133 4ZZ -0.02236 0.00410 -0.05028 0.04402 0.02869 134 4XY 0.00690 0.01587 0.01312 -0.01726 0.01438 135 4XZ -0.07234 0.01511 -0.01461 -0.01270 0.00874 136 4YZ 0.00020 -0.04935 0.00216 0.05332 0.08908 137 17 C 1S 0.00000 -0.00092 0.00000 0.02842 -0.03479 138 2S 0.00000 0.28488 0.00001 0.55397 -0.49368 139 2PX 0.00000 0.33915 0.00000 0.10081 -0.03317 140 2PY -0.25328 -0.00001 0.00513 0.00000 0.00000 141 2PZ -0.00002 0.09403 0.00000 -0.02669 0.02144 142 3S 0.00000 -0.94799 -0.00004 -1.65162 0.76637 143 3PX 0.00001 -1.00432 -0.00001 -0.29845 0.20766 144 3PY 0.75515 0.00003 0.36897 0.00002 0.00004 145 3PZ 0.00007 -0.17276 0.00003 -0.32313 -0.47149 146 4XX 0.00000 0.12183 0.00000 0.01971 -0.10749 147 4YY -0.00002 0.04730 -0.00001 0.02849 0.00338 148 4ZZ 0.00002 -0.11852 0.00001 0.01457 -0.03351 149 4XY 0.00344 0.00000 -0.14951 0.00001 0.00001 150 4XZ 0.00000 0.04083 -0.00001 -0.05198 -0.15567 151 4YZ 0.10160 0.00002 0.05825 0.00000 0.00000 152 18 H 1S -0.07751 -0.00129 -0.24503 0.08690 -0.02620 153 2S -0.14392 0.16900 -0.29770 -0.04612 -0.02372 154 19 H 1S 0.00001 -0.47958 0.00000 0.10583 -0.03824 155 2S -0.00001 1.02164 0.00001 0.55935 0.19922 156 20 H 1S 0.07752 -0.00129 0.24504 0.08689 -0.02620 157 2S 0.14391 0.16900 0.29770 -0.04613 -0.02373 158 21 O 1S -0.00630 -0.00082 -0.00159 0.00674 0.01302 159 2S -0.45995 -0.12935 0.00510 0.07666 0.21741 160 2PX -0.26734 -0.05530 -0.34318 -0.03168 0.07813 161 2PY 0.37356 0.06692 -0.25223 0.11474 -0.13219 162 2PZ 0.03926 0.06651 0.26340 -0.31445 -0.41607 163 3S 1.13271 0.11726 -0.18450 -0.24528 -0.75808 164 3PX 0.45549 0.15907 0.71568 0.24807 -0.11855 165 3PY -0.65944 -0.21086 0.38831 -0.20318 0.16313 166 3PZ -0.00456 -0.18379 -0.30368 0.61916 0.73049 167 4XX -0.12945 -0.07383 0.09944 0.01251 0.14772 168 4YY -0.09193 -0.03567 -0.04624 0.03108 -0.03212 169 4ZZ -0.21128 -0.01685 -0.04745 0.00726 0.08800 170 4XY -0.01516 -0.05139 0.01393 0.00630 0.04811 171 4XZ -0.00424 -0.00417 -0.06624 0.02076 0.00928 172 4YZ -0.01378 0.04621 0.00123 -0.01450 -0.02439 173 22 O 1S 0.00630 -0.00082 0.00159 0.00674 0.01302 174 2S 0.45995 -0.12934 -0.00510 0.07665 0.21741 175 2PX 0.26734 -0.05529 0.34317 -0.03169 0.07813 176 2PY 0.37357 -0.06692 -0.25219 -0.11468 0.13226 177 2PZ -0.03920 0.06650 -0.26345 -0.31446 -0.41606 178 3S -1.13271 0.11722 0.18449 -0.24528 -0.75809 179 3PX -0.45550 0.15906 -0.71566 0.24810 -0.11855 180 3PY -0.65944 0.21087 0.38827 0.20306 -0.16325 181 3PZ 0.00445 -0.18376 0.30377 0.61918 0.73048 182 4XX 0.12946 -0.07383 -0.09944 0.01252 0.14772 183 4YY 0.09194 -0.03565 0.04624 0.03108 -0.03213 184 4ZZ 0.21128 -0.01686 0.04745 0.00726 0.08801 185 4XY -0.01516 0.05139 0.01392 -0.00631 -0.04811 186 4XZ 0.00424 -0.00416 0.06624 0.02076 0.00927 187 4YZ -0.01380 -0.04621 0.00123 0.01451 0.02437 188 23 H 1S 0.00000 0.03441 0.00000 0.10102 -0.05016 189 2S -0.00001 0.62714 0.00001 0.47170 -0.32669 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15187 1.18946 1.20406 1.25129 1 1 C 1S -0.00257 -0.00064 -0.00168 -0.00951 -0.04030 2 2S -0.01234 -0.04095 -0.18484 -0.35371 -0.90580 3 2PX -0.00660 0.01633 0.00058 -0.08112 -0.03392 4 2PY -0.05891 0.07535 -0.04402 -0.07625 -0.00015 5 2PZ -0.05687 0.02486 0.05181 -0.11863 0.15854 6 3S -0.39187 0.43624 0.02566 -0.07392 3.44750 7 3PX 0.62437 -0.04843 0.10610 0.45836 -0.04316 8 3PY 0.22524 -0.32241 0.42596 -0.85453 0.19747 9 3PZ 1.03985 -0.08457 0.14547 0.27894 -0.77036 10 4XX -0.05803 -0.02318 -0.00626 -0.02533 -0.04051 11 4YY 0.00411 0.00953 -0.02824 -0.01240 -0.01613 12 4ZZ 0.06673 0.00581 0.02308 -0.00044 -0.03168 13 4XY 0.03514 0.01173 -0.11165 0.02841 -0.06143 14 4XZ -0.01242 0.00407 0.00681 -0.05165 -0.07665 15 4YZ 0.05348 -0.04260 0.12676 -0.00010 -0.01153 16 2 C 1S 0.00257 -0.00064 -0.00168 0.00951 0.04030 17 2S 0.01233 -0.04097 -0.18485 0.35371 0.90580 18 2PX 0.00660 0.01632 0.00058 0.08112 0.03392 19 2PY -0.05893 -0.07535 0.04401 -0.07627 -0.00012 20 2PZ 0.05686 0.02484 0.05181 0.11862 -0.15854 21 3S 0.39193 0.43623 0.02564 0.07392 -3.44749 22 3PX -0.62436 -0.04836 0.10611 -0.45836 0.04317 23 3PY 0.22545 0.32244 -0.42595 -0.85449 0.19734 24 3PZ -1.03982 -0.08443 0.14541 -0.27909 0.77039 25 4XX 0.05803 -0.02319 -0.00626 0.02532 0.04051 26 4YY -0.00413 0.00952 -0.02820 0.01240 0.01613 27 4ZZ -0.06671 0.00582 0.02305 0.00044 0.03167 28 4XY 0.03513 -0.01173 0.11165 0.02840 -0.06145 29 4XZ 0.01243 0.00407 0.00683 0.05166 0.07663 30 4YZ 0.05350 0.04260 -0.12677 -0.00010 -0.01153 31 3 C 1S -0.00786 -0.00318 0.00508 -0.02079 -0.00099 32 2S 0.40019 -0.27259 0.07670 -0.20123 -0.26943 33 2PX -0.03894 -0.16541 -0.02926 -0.02836 0.02098 34 2PY -0.29282 -0.05612 -0.10076 -0.33599 0.05173 35 2PZ -0.14140 -0.01242 0.08613 0.02014 0.06981 36 3S 0.28246 0.38115 -0.77926 1.58188 0.88746 37 3PX -0.01205 0.43413 -0.17041 0.24590 -0.56067 38 3PY 0.60806 0.03718 0.87172 1.77649 -0.14155 39 3PZ 0.63092 0.26680 -0.95539 -0.38335 -0.33211 40 4XX -0.02630 0.03273 -0.05385 0.00352 0.04307 41 4YY 0.02241 -0.01588 -0.01818 -0.13684 0.00393 42 4ZZ 0.02469 -0.04201 0.06166 0.08050 -0.04664 43 4XY -0.04113 0.01492 0.01869 0.05779 -0.05128 44 4XZ 0.10571 -0.00351 0.00813 0.01908 0.02178 45 4YZ 0.03878 0.01701 0.00907 0.02208 0.07804 46 4 C 1S 0.02841 -0.00262 -0.03867 -0.01356 0.01251 47 2S 0.38609 -0.05502 -0.80681 -0.18769 0.28717 48 2PX -0.08575 -0.01462 -0.11806 0.00197 -0.15112 49 2PY 0.01175 0.04197 0.04724 -0.04690 0.01425 50 2PZ 0.12782 0.10682 0.03618 -0.16542 0.03507 51 3S -1.27763 -0.35220 2.26076 1.55353 -0.91969 52 3PX 0.42653 -0.06763 0.04988 -0.38289 0.81662 53 3PY -0.53908 -0.16574 0.30004 -1.06521 0.24210 54 3PZ -0.56738 -0.04986 -0.52375 0.43532 -0.39218 55 4XX -0.01105 0.00147 0.00532 0.00944 -0.00450 56 4YY 0.01728 0.01412 -0.07309 0.01427 0.01316 57 4ZZ 0.05093 -0.02492 -0.05727 -0.03762 0.02264 58 4XY -0.00172 0.00970 -0.06090 -0.00515 -0.00754 59 4XZ -0.06508 -0.04526 -0.00091 0.04329 -0.09959 60 4YZ -0.03501 0.00097 -0.08693 -0.06297 -0.00481 61 5 C 1S -0.02841 -0.00262 -0.03867 0.01356 -0.01251 62 2S -0.38610 -0.05500 -0.80682 0.18766 -0.28716 63 2PX 0.08574 -0.01462 -0.11806 -0.00197 0.15112 64 2PY 0.01177 -0.04199 -0.04725 -0.04693 0.01426 65 2PZ -0.12782 0.10682 0.03617 0.16541 -0.03507 66 3S 1.27761 -0.35226 2.26082 -1.55344 0.91963 67 3PX -0.42652 -0.06760 0.04986 0.38289 -0.81661 68 3PY -0.53917 0.16579 -0.29991 -1.06515 0.24205 69 3PZ 0.56729 -0.04986 -0.52379 -0.43552 0.39223 70 4XX 0.01105 0.00147 0.00532 -0.00944 0.00450 71 4YY -0.01727 0.01412 -0.07311 -0.01426 -0.01316 72 4ZZ -0.05094 -0.02492 -0.05725 0.03760 -0.02264 73 4XY -0.00173 -0.00969 0.06090 -0.00514 -0.00756 74 4XZ 0.06508 -0.04526 -0.00089 -0.04329 0.09959 75 4YZ -0.03500 -0.00095 0.08693 -0.06298 -0.00481 76 6 C 1S 0.00786 -0.00318 0.00508 0.02079 0.00099 77 2S -0.40020 -0.27257 0.07670 0.20123 0.26942 78 2PX 0.03893 -0.16541 -0.02926 0.02836 -0.02098 79 2PY -0.29284 0.05615 0.10076 -0.33598 0.05174 80 2PZ 0.14135 -0.01242 0.08615 -0.02019 -0.06980 81 3S -0.28246 0.38121 -0.77921 -1.58191 -0.88742 82 3PX 0.01209 0.43411 -0.17040 -0.24590 0.56068 83 3PY 0.60817 -0.03730 -0.87163 1.77640 -0.14160 84 3PZ -0.63079 0.26681 -0.95555 0.38361 0.33211 85 4XX 0.02630 0.03273 -0.05385 -0.00352 -0.04307 86 4YY -0.02242 -0.01588 -0.01819 0.13683 -0.00395 87 4ZZ -0.02468 -0.04201 0.06166 -0.08049 0.04667 88 4XY -0.04111 -0.01492 -0.01869 0.05779 -0.05128 89 4XZ -0.10571 -0.00350 0.00813 -0.01907 -0.02179 90 4YZ 0.03878 -0.01701 -0.00909 0.02212 0.07803 91 7 H 1S 0.39924 -0.07303 0.14159 -0.05174 -0.37782 92 2S 0.39251 -0.13782 -0.02448 0.02725 -0.65756 93 8 H 1S -0.39925 -0.07300 0.14159 0.05175 0.37782 94 2S -0.39252 -0.13779 -0.02447 -0.02726 0.65757 95 9 H 1S -0.09839 0.04709 -0.13581 -0.54263 -0.05619 96 2S -0.29797 -0.20123 -0.30649 -0.82784 -0.06706 97 10 H 1S -0.00116 -0.08632 -0.10653 0.14367 -0.08679 98 2S 0.46205 0.24039 -0.36888 -0.08299 0.02836 99 11 H 1S 0.00116 -0.08632 -0.10653 -0.14368 0.08680 100 2S -0.46204 0.24042 -0.36888 0.08298 -0.02836 101 12 H 1S 0.09839 0.04707 -0.13583 0.54263 0.05619 102 2S 0.29796 -0.20126 -0.30652 0.82783 0.06706 103 13 H 1S -0.25515 -0.04425 -0.13640 0.08317 -0.18549 104 2S -0.49802 0.06688 -0.13533 0.21021 -0.35724 105 14 H 1S 0.25515 -0.04426 -0.13640 -0.08318 0.18550 106 2S 0.49802 0.06685 -0.13532 -0.21022 0.35725 107 15 C 1S -0.00048 0.02009 -0.00439 -0.00221 0.00740 108 2S -0.58325 0.13796 0.00676 -0.10221 0.25520 109 2PX 0.10248 0.04495 0.03917 0.09911 -0.16312 110 2PY -0.09994 0.07451 -0.06239 0.13996 0.04376 111 2PZ -0.10563 0.14718 0.11880 -0.07881 -0.13906 112 3S 2.40142 0.24813 0.10706 -0.94594 -0.57682 113 3PX 0.78355 0.10140 0.27616 -0.81592 1.00069 114 3PY 1.00189 -0.31987 0.36096 -0.65102 -0.10693 115 3PZ 0.95097 -0.09011 0.12060 -0.13878 1.11266 116 4XX 0.01185 0.09077 -0.08423 -0.02725 -0.08943 117 4YY 0.00068 0.00651 -0.02579 -0.00738 0.00790 118 4ZZ 0.01228 -0.04732 0.10287 -0.02354 0.11842 119 4XY 0.00287 -0.10458 -0.12490 -0.01383 -0.00737 120 4XZ -0.01115 -0.03154 -0.02073 -0.05655 0.02438 121 4YZ 0.00624 0.00932 0.02986 0.01878 0.03739 122 16 C 1S 0.00048 0.02009 -0.00439 0.00221 -0.00740 123 2S 0.58327 0.13792 0.00675 0.10221 -0.25519 124 2PX -0.10248 0.04496 0.03918 -0.09911 0.16312 125 2PY -0.09997 -0.07453 0.06236 0.13995 0.04374 126 2PZ 0.10563 0.14716 0.11881 0.07884 0.13906 127 3S -2.40141 0.24827 0.10703 0.94595 0.57681 128 3PX -0.78354 0.10143 0.27613 0.81593 -1.00068 129 3PY 1.00208 0.31983 -0.36095 -0.65105 -0.10675 130 3PZ -0.95081 -0.09000 0.12052 0.13867 -1.11267 131 4XX -0.01185 0.09077 -0.08423 0.02725 0.08944 132 4YY -0.00068 0.00651 -0.02578 0.00737 -0.00791 133 4ZZ -0.01228 -0.04732 0.10286 0.02355 -0.11841 134 4XY 0.00288 0.10459 0.12490 -0.01384 -0.00737 135 4XZ 0.01115 -0.03152 -0.02071 0.05655 -0.02438 136 4YZ 0.00624 -0.00931 -0.02989 0.01878 0.03741 137 17 C 1S 0.00000 -0.02222 0.04281 0.00000 0.00000 138 2S -0.00002 -0.30591 0.74471 0.00001 0.00001 139 2PX 0.00000 -0.06288 -0.29019 -0.00001 0.00000 140 2PY 0.03742 0.00001 0.00000 0.00608 0.05645 141 2PZ 0.00000 -0.17970 -0.02055 0.00000 0.00000 142 3S 0.00003 0.52478 -1.16671 -0.00001 -0.00003 143 3PX -0.00001 -0.47165 0.39212 0.00000 0.00000 144 3PY 0.44389 -0.00007 0.00005 -0.60856 0.11056 145 3PZ 0.00006 0.72124 -0.41103 -0.00005 0.00001 146 4XX 0.00000 -0.00503 -0.00723 0.00000 0.00000 147 4YY 0.00001 0.04369 0.11024 -0.00001 0.00000 148 4ZZ -0.00002 -0.15104 0.01037 0.00001 0.00000 149 4XY -0.00361 0.00002 0.00000 0.01961 -0.07458 150 4XZ -0.00001 -0.20510 0.00422 0.00000 -0.00001 151 4YZ -0.07041 0.00002 0.00001 0.06270 0.01597 152 18 H 1S -0.19136 0.04903 0.24748 0.01472 -0.33499 153 2S -0.19977 -0.18494 -0.10069 0.16691 -0.34001 154 19 H 1S 0.00000 -0.03250 0.16193 0.00000 0.00000 155 2S -0.00002 -0.59696 0.58170 0.00000 0.00000 156 20 H 1S 0.19136 0.04902 0.24748 -0.01471 0.33499 157 2S 0.19976 -0.18495 -0.10069 -0.16692 0.34001 158 21 O 1S 0.00269 0.01389 0.01444 -0.00266 0.00396 159 2S -0.06934 0.27714 0.18831 -0.02841 0.01543 160 2PX -0.01717 -0.42867 -0.05314 0.14104 0.02065 161 2PY -0.03288 -0.16094 0.23465 -0.02805 -0.10515 162 2PZ -0.25404 0.11317 0.00026 0.24990 -0.09655 163 3S -0.37846 -0.66793 -0.37367 0.15499 -0.48048 164 3PX 0.38048 0.80385 0.10590 -0.46113 0.17372 165 3PY -0.01435 0.27312 -0.48025 0.08508 0.17059 166 3PZ 0.59735 -0.13616 0.11902 -0.65418 0.22174 167 4XX -0.03597 0.09333 0.09070 0.00384 0.08651 168 4YY -0.04313 -0.04860 0.04922 -0.00813 -0.01467 169 4ZZ 0.01532 0.20006 0.00758 -0.00427 -0.05320 170 4XY 0.00151 -0.01899 0.01811 0.03716 0.00458 171 4XZ -0.05751 0.05031 0.05262 -0.02286 -0.06195 172 4YZ -0.00740 0.05373 0.06411 0.03456 0.00272 173 22 O 1S -0.00269 0.01389 0.01444 0.00266 -0.00396 174 2S 0.06936 0.27713 0.18831 0.02842 -0.01543 175 2PX 0.01714 -0.42867 -0.05314 -0.14105 -0.02065 176 2PY -0.03291 0.16093 -0.23465 -0.02801 -0.10517 177 2PZ 0.25404 0.11318 0.00023 -0.24990 0.09653 178 3S 0.37841 -0.66795 -0.37367 -0.15501 0.48050 179 3PX -0.38043 0.80387 0.10588 0.46115 -0.17371 180 3PY -0.01427 -0.27310 0.48023 0.08498 0.17062 181 3PZ -0.59736 -0.13618 0.11908 0.65419 -0.22170 182 4XX 0.03598 0.09333 0.09070 -0.00384 -0.08651 183 4YY 0.04313 -0.04859 0.04924 0.00812 0.01468 184 4ZZ -0.01531 0.20004 0.00756 0.00428 0.05320 185 4XY 0.00150 0.01898 -0.01812 0.03715 0.00457 186 4XZ 0.05751 0.05031 0.05262 0.02287 0.06195 187 4YZ -0.00739 -0.05378 -0.06410 0.03455 0.00272 188 23 H 1S 0.00001 0.23488 0.17262 0.00000 0.00000 189 2S 0.00000 -0.03988 -0.11354 0.00000 0.00001 116 117 118 119 120 V V V V V Eigenvalues -- 1.26438 1.36726 1.37046 1.39832 1.42703 1 1 C 1S 0.01227 0.00327 0.02934 -0.00468 0.01971 2 2S 0.34843 0.08644 0.56179 -0.12318 0.40197 3 2PX 0.10634 0.06344 0.03727 0.02798 0.00539 4 2PY 0.08208 0.00686 -0.01954 -0.06954 -0.02613 5 2PZ 0.10521 0.03889 0.07486 -0.05099 0.09509 6 3S -0.62709 -0.21193 -1.90852 0.03511 -2.71359 7 3PX -0.43453 -0.22860 -0.59653 0.29046 -0.89815 8 3PY -0.20118 -0.02398 -0.41214 0.41383 -1.27114 9 3PZ -0.40485 -0.17279 -0.25752 0.39863 -1.29783 10 4XX -0.00587 -0.15178 0.12142 -0.19839 0.08177 11 4YY 0.06995 0.04890 0.00223 -0.04166 -0.00143 12 4ZZ -0.05186 0.09874 -0.07754 0.22899 -0.07056 13 4XY -0.00325 0.04170 -0.00472 0.02389 0.01590 14 4XZ 0.04866 0.05834 0.05477 -0.06702 -0.00705 15 4YZ -0.01379 -0.05323 0.02857 -0.11102 -0.01237 16 2 C 1S 0.01227 0.00327 -0.02934 -0.00468 -0.01971 17 2S 0.34845 0.08646 -0.56178 -0.12318 -0.40197 18 2PX 0.10634 0.06344 -0.03727 0.02798 -0.00539 19 2PY -0.08210 -0.00687 -0.01953 0.06955 -0.02612 20 2PZ 0.10520 0.03889 -0.07486 -0.05098 -0.09509 21 3S -0.62718 -0.21199 1.90852 0.03509 2.71361 22 3PX -0.43453 -0.22861 0.59651 0.29045 0.89815 23 3PY 0.20126 0.02402 -0.41217 -0.41388 -1.27134 24 3PZ -0.40480 -0.17278 0.25743 0.39854 1.29760 25 4XX -0.00587 -0.15177 -0.12143 -0.19839 -0.08176 26 4YY 0.06995 0.04889 -0.00224 -0.04169 0.00143 27 4ZZ -0.05185 0.09875 0.07755 0.22902 0.07055 28 4XY 0.00324 -0.04171 -0.00471 -0.02388 0.01590 29 4XZ 0.04866 0.05833 -0.05477 -0.06702 0.00705 30 4YZ 0.01382 0.05321 0.02856 0.11097 -0.01239 31 3 C 1S 0.02392 -0.00358 -0.00680 0.03049 0.00199 32 2S 0.22078 -0.04076 -0.01121 0.38682 0.13134 33 2PX 0.09516 0.00153 0.04873 0.08862 0.04657 34 2PY 0.00774 0.08481 0.06383 -0.07741 -0.07143 35 2PZ 0.03998 0.00428 -0.04316 0.00875 0.01689 36 3S -0.72300 -0.19883 -0.47765 -1.03675 -1.48667 37 3PX -0.49242 -0.09124 -0.14371 -0.30318 0.17448 38 3PY -0.42626 -0.06682 -0.29144 0.47583 1.33037 39 3PZ -0.58844 -0.42143 0.46350 -0.25028 -0.27816 40 4XX -0.00536 0.08798 0.09580 0.19334 0.03485 41 4YY 0.06300 0.05498 0.02953 -0.05788 -0.06507 42 4ZZ -0.04324 -0.15720 -0.12102 -0.07243 -0.00195 43 4XY -0.00115 0.05293 -0.03346 0.04489 0.05938 44 4XZ 0.07337 0.05166 0.01904 -0.00070 0.01862 45 4YZ -0.00018 -0.09273 -0.07980 -0.16044 -0.08187 46 4 C 1S -0.04202 -0.03924 0.02434 0.00601 -0.02050 47 2S -0.63840 -0.61955 0.27398 0.37918 -0.22957 48 2PX 0.18527 -0.11429 -0.14704 -0.00641 -0.08325 49 2PY -0.01363 0.10161 0.05219 -0.06501 -0.01095 50 2PZ 0.00056 0.20120 0.08272 -0.15538 -0.03369 51 3S 1.87479 1.34537 -1.31495 0.00661 1.58445 52 3PX -0.37820 0.22827 0.85201 -0.05289 0.28350 53 3PY 0.53886 0.18632 0.30571 0.18201 -0.32677 54 3PZ -0.11625 -0.40836 -0.29580 -0.02065 -0.36249 55 4XX -0.07911 -0.08721 -0.02649 -0.07008 -0.05194 56 4YY -0.04829 -0.05727 -0.01105 0.00785 0.00258 57 4ZZ 0.01805 0.07240 0.07500 0.09488 0.03742 58 4XY 0.09059 0.07409 0.04411 0.07259 0.02521 59 4XZ -0.00970 -0.00424 -0.08844 0.00113 -0.00857 60 4YZ -0.01383 0.13571 0.04110 0.00569 -0.02386 61 5 C 1S -0.04202 -0.03924 -0.02434 0.00601 0.02050 62 2S -0.63841 -0.61954 -0.27402 0.37917 0.22956 63 2PX 0.18527 -0.11429 0.14704 -0.00640 0.08325 64 2PY 0.01363 -0.10165 0.05219 0.06504 -0.01095 65 2PZ 0.00056 0.20119 -0.08270 -0.15537 0.03369 66 3S 1.87483 1.34530 1.31502 0.00666 -1.58446 67 3PX -0.37822 0.22831 -0.85200 -0.05290 -0.28351 68 3PY -0.53883 -0.18626 0.30566 -0.18200 -0.32683 69 3PZ -0.11633 -0.40839 0.29584 -0.02068 0.36244 70 4XX -0.07911 -0.08721 0.02649 -0.07008 0.05195 71 4YY -0.04830 -0.05723 0.01103 0.00785 -0.00258 72 4ZZ 0.01806 0.07236 -0.07499 0.09488 -0.03743 73 4XY -0.09059 -0.07409 0.04410 -0.07259 0.02522 74 4XZ -0.00971 -0.00426 0.08845 0.00112 0.00857 75 4YZ 0.01382 -0.13573 0.04111 -0.00571 -0.02386 76 6 C 1S 0.02392 -0.00358 0.00680 0.03049 -0.00199 77 2S 0.22079 -0.04077 0.01120 0.38682 -0.13134 78 2PX 0.09516 0.00153 -0.04874 0.08862 -0.04657 79 2PY -0.00774 -0.08481 0.06382 0.07741 -0.07143 80 2PZ 0.03997 0.00426 0.04316 0.00876 -0.01690 81 3S -0.72302 -0.19881 0.47764 -1.03677 1.48666 82 3PX -0.49240 -0.09125 0.14372 -0.30318 -0.17447 83 3PY 0.42634 0.06692 -0.29135 -0.47581 1.33034 84 3PZ -0.58836 -0.42139 -0.46356 -0.25037 0.27840 85 4XX -0.00536 0.08798 -0.09580 0.19334 -0.03485 86 4YY 0.06299 0.05495 -0.02951 -0.05793 0.06510 87 4ZZ -0.04324 -0.15718 0.12099 -0.07238 0.00193 88 4XY 0.00114 -0.05294 -0.03346 -0.04489 0.05938 89 4XZ 0.07337 0.05165 -0.01905 -0.00070 -0.01861 90 4YZ 0.00020 0.09277 -0.07983 0.16045 -0.08186 91 7 H 1S -0.06928 -0.04134 0.01236 0.19130 -0.23532 92 2S -0.22115 -0.14767 -0.04671 0.24158 -0.43630 93 8 H 1S -0.06927 -0.04133 -0.01237 0.19129 0.23532 94 2S -0.22113 -0.14767 0.04669 0.24157 0.43629 95 9 H 1S 0.24039 -0.07986 0.12279 0.04810 -0.16431 96 2S 0.14701 0.05386 0.12045 -0.05598 -0.33933 97 10 H 1S -0.15627 -0.17612 -0.07100 -0.03534 -0.13018 98 2S -0.12896 -0.30982 -0.06198 0.14642 -0.17673 99 11 H 1S -0.15626 -0.17612 0.07099 -0.03534 0.13018 100 2S -0.12896 -0.30982 0.06196 0.14642 0.17673 101 12 H 1S 0.24038 -0.07986 -0.12280 0.04809 0.16431 102 2S 0.14700 0.05386 -0.12044 -0.05599 0.33934 103 13 H 1S -0.17103 -0.21642 -0.17262 0.02049 0.00124 104 2S -0.47087 0.11149 -0.39324 0.00469 -0.05608 105 14 H 1S -0.17102 -0.21642 0.17261 0.02049 -0.00124 106 2S -0.47086 0.11148 0.39325 0.00470 0.05608 107 15 C 1S -0.01131 0.01609 -0.02503 -0.02890 -0.00973 108 2S -0.31841 0.38220 -0.34932 -0.50951 -0.36848 109 2PX 0.13207 -0.07670 0.03631 0.15009 0.07914 110 2PY 0.11107 0.03982 -0.00258 -0.04252 0.06978 111 2PZ 0.01300 0.17797 -0.08799 -0.10661 0.00336 112 3S 0.36096 -0.57839 1.52649 1.15112 1.28483 113 3PX -0.44560 -0.20674 -0.42035 0.05036 0.35537 114 3PY -0.23832 -0.11250 1.91650 -0.10738 -0.33830 115 3PZ -0.24852 -0.51310 0.14201 0.49904 -0.18249 116 4XX -0.14370 -0.02776 -0.15320 -0.13926 0.01106 117 4YY 0.02601 0.05754 0.01375 -0.09250 -0.00072 118 4ZZ 0.02872 -0.01609 0.08836 0.22954 0.00630 119 4XY -0.12678 0.24440 0.03358 -0.07519 -0.01117 120 4XZ -0.04360 0.17103 -0.07166 -0.01104 -0.02497 121 4YZ -0.00763 -0.10538 0.00055 -0.09715 -0.09739 122 16 C 1S -0.01131 0.01609 0.02503 -0.02890 0.00973 123 2S -0.31842 0.38218 0.34934 -0.50951 0.36848 124 2PX 0.13208 -0.07670 -0.03631 0.15010 -0.07914 125 2PY -0.11107 -0.03985 -0.00260 0.04254 0.06978 126 2PZ 0.01299 0.17796 0.08800 -0.10660 -0.00335 127 3S 0.36097 -0.57831 -1.52653 1.15111 -1.28483 128 3PX -0.44562 -0.20678 0.42034 0.05036 -0.35536 129 3PY 0.23837 0.11248 1.91653 0.10731 -0.33832 130 3PZ -0.24850 -0.51308 -0.14172 0.49906 0.18244 131 4XX -0.14369 -0.02777 0.15320 -0.13925 -0.01106 132 4YY 0.02601 0.05751 -0.01374 -0.09253 0.00075 133 4ZZ 0.02872 -0.01605 -0.08836 0.22957 -0.00633 134 4XY 0.12679 -0.24443 0.03355 0.07520 -0.01118 135 4XZ -0.04358 0.17099 0.07168 -0.01103 0.02497 136 4YZ 0.00763 0.10539 0.00057 0.09709 -0.09739 137 17 C 1S -0.05236 -0.00938 0.00000 0.02836 0.00000 138 2S -0.82045 0.04652 0.00000 0.32653 0.00000 139 2PX -0.05163 0.02870 0.00000 -0.04113 0.00000 140 2PY 0.00000 0.00000 -0.17746 0.00000 0.06158 141 2PZ 0.00186 0.03014 -0.00001 0.01052 0.00001 142 3S 2.59783 -0.03930 0.00000 -1.08389 -0.00001 143 3PX 0.02737 -0.30926 -0.00001 0.26542 0.00000 144 3PY 0.00003 0.00002 -0.98892 -0.00001 0.27154 145 3PZ -0.30549 0.12314 -0.00008 0.05740 0.00003 146 4XX -0.08368 0.07466 0.00000 0.08345 0.00000 147 4YY 0.10588 -0.07446 -0.00003 -0.00386 -0.00004 148 4ZZ -0.08516 -0.01009 0.00002 -0.05404 0.00004 149 4XY 0.00000 -0.00001 0.06799 0.00000 -0.36301 150 4XZ -0.07623 0.12743 0.00001 -0.04458 -0.00003 151 4YZ 0.00002 -0.00001 0.16856 0.00001 0.29105 152 18 H 1S -0.00536 -0.04458 -0.14582 -0.04191 0.15841 153 2S -0.37752 -0.19569 -0.29933 -0.02646 0.29771 154 19 H 1S -0.24468 -0.12874 0.00000 0.14238 0.00000 155 2S -0.15172 0.08191 0.00000 0.16888 0.00000 156 20 H 1S -0.00535 -0.04459 0.14582 -0.04191 -0.15841 157 2S -0.37751 -0.19570 0.29932 -0.02645 -0.29771 158 21 O 1S 0.01455 -0.01718 0.00038 0.01509 0.01366 159 2S 0.05297 -0.18686 -0.11897 0.14237 0.27636 160 2PX 0.21546 -0.03749 0.30921 -0.07767 -0.05403 161 2PY -0.04586 0.02606 0.10715 -0.03030 0.03015 162 2PZ 0.11008 0.11038 0.23823 -0.01673 -0.19734 163 3S -0.51428 0.73228 0.07774 -0.51186 -0.78420 164 3PX -0.58259 -0.02969 -0.94671 0.49716 0.27075 165 3PY -0.07590 0.04239 -0.50109 0.07285 -0.00227 166 3PZ -0.39602 -0.27905 -0.86018 0.18069 0.64923 167 4XX 0.11643 -0.05523 0.01920 0.19803 0.23075 168 4YY -0.11172 0.05172 0.03159 0.00871 0.05935 169 4ZZ 0.09475 -0.18561 -0.12792 -0.06364 -0.07491 170 4XY 0.06692 -0.08983 0.06571 -0.06216 0.20190 171 4XZ -0.02394 -0.00086 -0.10049 -0.04650 0.06398 172 4YZ 0.07710 -0.01147 0.05917 0.12313 -0.19153 173 22 O 1S 0.01455 -0.01718 -0.00038 0.01509 -0.01366 174 2S 0.05297 -0.18687 0.11896 0.14237 -0.27636 175 2PX 0.21546 -0.03747 -0.30921 -0.07767 0.05403 176 2PY 0.04584 -0.02608 0.10719 0.03030 0.03012 177 2PZ 0.11009 0.11039 -0.23821 -0.01672 0.19735 178 3S -0.51428 0.73230 -0.07770 -0.51187 0.78420 179 3PX -0.58259 -0.02975 0.94670 0.49717 -0.27073 180 3PY 0.07597 -0.04232 -0.50124 -0.07288 -0.00217 181 3PZ -0.39601 -0.27910 0.86008 0.18068 -0.64923 182 4XX 0.11643 -0.05523 -0.01920 0.19803 -0.23075 183 4YY -0.11170 0.05172 -0.03160 0.00875 -0.05929 184 4ZZ 0.09473 -0.18561 0.12793 -0.06367 0.07485 185 4XY -0.06692 0.08982 0.06569 0.06217 0.20191 186 4XZ -0.02395 -0.00085 0.10050 -0.04649 -0.06395 187 4YZ -0.07714 0.01152 0.05914 -0.12312 -0.19156 188 23 H 1S -0.23101 0.05449 0.00000 0.04442 0.00000 189 2S -0.48222 0.12573 0.00000 -0.00444 0.00000 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43859 1.47573 1.49204 1.52643 1 1 C 1S -0.00001 -0.03416 0.00420 0.00385 0.00339 2 2S -0.06270 -0.63087 -0.15345 0.09939 -0.13751 3 2PX 0.05033 -0.00827 -0.08895 0.03796 -0.19639 4 2PY -0.06090 -0.00128 -0.08887 0.00144 -0.07035 5 2PZ -0.08099 -0.14289 -0.10378 0.05481 -0.03983 6 3S -0.34781 4.16381 -0.46488 -1.29765 -0.48093 7 3PX 0.08190 1.46137 0.15016 -0.99537 0.17978 8 3PY 0.49780 2.49433 0.54010 0.16348 0.59548 9 3PZ 0.27503 2.11335 0.14302 -1.13911 0.31877 10 4XX -0.21123 -0.12329 0.07433 -0.14259 0.17050 11 4YY 0.00853 0.00994 0.00939 0.01634 -0.07030 12 4ZZ 0.16875 0.11278 -0.07828 0.12414 -0.07491 13 4XY -0.03955 -0.01267 -0.09507 -0.01622 0.42478 14 4XZ 0.00125 -0.00782 -0.00429 -0.04653 0.09823 15 4YZ -0.03352 0.02773 0.17963 -0.03405 -0.26609 16 2 C 1S -0.00001 0.03416 0.00420 -0.00385 0.00339 17 2S -0.06269 0.63087 -0.15346 -0.09939 -0.13751 18 2PX 0.05033 0.00826 -0.08895 -0.03796 -0.19639 19 2PY 0.06092 -0.00130 0.08889 0.00145 0.07036 20 2PZ -0.08098 0.14289 -0.10377 -0.05481 -0.03982 21 3S -0.34792 -4.16381 -0.46483 1.29762 -0.48091 22 3PX 0.08186 -1.46136 0.15017 0.99537 0.17978 23 3PY -0.49777 2.49470 -0.54018 0.16327 -0.59556 24 3PZ 0.27489 -2.11294 0.14295 1.13914 0.31867 25 4XX -0.21122 0.12330 0.07432 0.14260 0.17050 26 4YY 0.00852 -0.00995 0.00944 -0.01633 -0.07037 27 4ZZ 0.16876 -0.11278 -0.07832 -0.12415 -0.07483 28 4XY 0.03955 -0.01268 0.09507 -0.01623 -0.42479 29 4XZ 0.00126 0.00782 -0.00428 0.04653 0.09816 30 4YZ 0.03349 0.02775 -0.17961 -0.03403 0.26609 31 3 C 1S -0.00106 -0.00081 -0.03063 0.03114 -0.00607 32 2S 0.01600 -0.20901 -0.35371 0.64133 0.04275 33 2PX 0.05015 -0.19411 -0.06786 0.11834 -0.00947 34 2PY -0.07909 0.06704 -0.03649 -0.04191 -0.03941 35 2PZ -0.00581 -0.09660 0.03728 -0.03271 0.02640 36 3S -0.02197 2.13877 1.31295 -2.40624 -0.17834 37 3PX -0.27392 0.16722 -0.12628 0.12801 -0.23794 38 3PY 0.49500 -1.88728 0.33185 0.76041 0.54538 39 3PZ -0.38776 0.68911 0.03805 0.54799 -0.83984 40 4XX 0.14740 -0.03028 -0.03532 -0.20758 0.05016 41 4YY -0.04488 0.07788 0.03739 0.07440 0.00713 42 4ZZ -0.11627 -0.00339 -0.03369 0.14438 -0.06457 43 4XY -0.01053 -0.03766 -0.25411 -0.00261 -0.01535 44 4XZ 0.10690 -0.01953 0.18614 -0.00472 0.01448 45 4YZ -0.10253 0.14851 0.08578 0.09061 0.06503 46 4 C 1S -0.00878 0.01125 0.02547 0.00802 -0.01519 47 2S -0.07679 0.10902 0.31942 0.14603 -0.17855 48 2PX -0.11641 0.14119 -0.01977 -0.00557 -0.05065 49 2PY -0.01540 0.00988 -0.01877 -0.03489 0.04837 50 2PZ -0.02684 0.05508 0.00835 -0.10762 -0.09707 51 3S 0.60615 -1.66291 -0.92396 0.13045 0.98789 52 3PX 0.27273 -0.75647 0.15991 0.29081 0.03772 53 3PY 0.14026 0.05676 -0.25709 -0.06389 0.19495 54 3PZ -0.15553 0.73083 0.07793 -0.12548 -0.26382 55 4XX -0.08181 0.09646 -0.15999 -0.01250 0.03918 56 4YY -0.02740 0.00412 0.03120 0.01739 0.05399 57 4ZZ 0.09955 -0.10359 0.15502 0.01155 -0.09878 58 4XY 0.16104 -0.02405 0.28765 -0.04551 0.05583 59 4XZ -0.09813 0.01797 -0.20212 0.06224 -0.13137 60 4YZ -0.04304 0.01000 -0.06546 -0.02535 -0.19130 61 5 C 1S -0.00878 -0.01125 0.02547 -0.00802 -0.01519 62 2S -0.07679 -0.10902 0.31943 -0.14601 -0.17854 63 2PX -0.11641 -0.14119 -0.01976 0.00557 -0.05065 64 2PY 0.01540 0.00989 0.01877 -0.03490 -0.04835 65 2PZ -0.02684 -0.05507 0.00835 0.10761 -0.09708 66 3S 0.60619 1.66288 -0.92397 -0.13048 0.98788 67 3PX 0.27275 0.75646 0.15989 -0.29080 0.03772 68 3PY -0.14024 0.05689 0.25708 -0.06390 -0.19491 69 3PZ -0.15557 -0.73082 0.07799 0.12547 -0.26385 70 4XX -0.08181 -0.09646 -0.15999 0.01250 0.03918 71 4YY -0.02742 -0.00412 0.03118 -0.01738 0.05393 72 4ZZ 0.09957 0.10359 0.15504 -0.01155 -0.09872 73 4XY -0.16103 -0.02404 -0.28761 -0.04551 -0.05581 74 4XZ -0.09816 -0.01797 -0.20216 -0.06225 -0.13138 75 4YZ 0.04302 0.00997 0.06543 -0.02534 0.19133 76 6 C 1S -0.00106 0.00081 -0.03063 -0.03114 -0.00607 77 2S 0.01601 0.20899 -0.35370 -0.64134 0.04275 78 2PX 0.05016 0.19410 -0.06786 -0.11834 -0.00947 79 2PY 0.07910 0.06702 0.03648 -0.04192 0.03941 80 2PZ -0.00579 0.09661 0.03729 0.03270 0.02640 81 3S -0.02203 -2.13873 1.31293 2.40629 -0.17835 82 3PX -0.27393 -0.16721 -0.12627 -0.12801 -0.23794 83 3PY -0.49498 -1.88716 -0.33184 0.76050 -0.54523 84 3PZ -0.38786 -0.68941 0.03802 -0.54787 -0.83992 85 4XX 0.14740 0.03027 -0.03533 0.20758 0.05016 86 4YY -0.04492 -0.07792 0.03742 -0.07443 0.00715 87 4ZZ -0.11624 0.00344 -0.03371 -0.14435 -0.06459 88 4XY 0.01051 -0.03766 0.25408 -0.00261 0.01535 89 4XZ 0.10691 0.01952 0.18618 0.00472 0.01448 90 4YZ 0.10255 0.14849 -0.08577 0.09062 -0.06501 91 7 H 1S 0.17031 0.44255 0.09235 -0.12979 0.09592 92 2S 0.18616 0.85216 0.23702 -0.35059 0.29642 93 8 H 1S 0.17030 -0.44256 0.09235 0.12979 0.09592 94 2S 0.18613 -0.85217 0.23703 0.35060 0.29642 95 9 H 1S -0.06466 0.25066 -0.19617 0.00855 -0.13868 96 2S -0.22009 0.43219 -0.27305 -0.00670 -0.19650 97 10 H 1S -0.01750 0.18248 0.06175 0.03251 -0.07638 98 2S -0.28471 0.32813 0.15940 -0.17296 -0.09892 99 11 H 1S -0.01750 -0.18247 0.06175 -0.03251 -0.07638 100 2S -0.28472 -0.32811 0.15941 0.17296 -0.09892 101 12 H 1S -0.06466 -0.25066 -0.19616 -0.00856 -0.13868 102 2S -0.22010 -0.43219 -0.27305 0.00669 -0.19650 103 13 H 1S -0.01879 0.13076 0.14749 -0.17149 -0.01190 104 2S 0.07832 0.20086 0.12145 -0.03244 -0.03454 105 14 H 1S -0.01879 -0.13076 0.14749 0.17149 -0.01190 106 2S 0.07832 -0.20086 0.12146 0.03245 -0.03454 107 15 C 1S -0.00381 -0.01660 0.00716 0.02111 -0.00047 108 2S 0.00439 0.08828 0.14033 0.09086 0.17218 109 2PX 0.01503 -0.10459 -0.06916 0.00587 -0.07964 110 2PY -0.03599 -0.01779 0.00621 -0.03433 -0.05614 111 2PZ 0.01499 0.08279 0.02820 0.02016 0.02916 112 3S -0.11255 0.18951 -0.34454 0.74529 -0.30777 113 3PX -0.06453 0.01932 0.08187 0.98327 0.21227 114 3PY 0.12179 0.28259 0.09933 0.90154 0.22880 115 3PZ -0.07462 -0.57124 -0.02744 0.70295 0.03658 116 4XX 0.21502 -0.10738 -0.09949 0.02322 -0.07297 117 4YY -0.00057 -0.00398 0.03984 0.00395 0.03297 118 4ZZ -0.22862 0.06503 0.04314 0.06359 0.00140 119 4XY -0.14658 -0.01616 0.06084 -0.00408 -0.02554 120 4XZ -0.02638 0.04680 0.02054 -0.01962 0.01797 121 4YZ 0.19403 -0.04291 -0.07857 0.04873 0.01806 122 16 C 1S -0.00381 0.01660 0.00716 -0.02111 -0.00047 123 2S 0.00439 -0.08827 0.14034 -0.09085 0.17218 124 2PX 0.01503 0.10459 -0.06916 -0.00587 -0.07965 125 2PY 0.03599 -0.01778 -0.00622 -0.03433 0.05614 126 2PZ 0.01499 -0.08279 0.02821 -0.02016 0.02917 127 3S -0.11259 -0.18954 -0.34455 -0.74530 -0.30776 128 3PX -0.06454 -0.01932 0.08188 -0.98327 0.21228 129 3PY -0.12176 0.28250 -0.09932 0.90165 -0.22882 130 3PZ -0.07461 0.57128 -0.02745 -0.70279 0.03655 131 4XX 0.21502 0.10737 -0.09949 -0.02322 -0.07297 132 4YY -0.00052 0.00399 0.03981 -0.00397 0.03297 133 4ZZ -0.22868 -0.06504 0.04317 -0.06357 0.00140 134 4XY 0.14659 -0.01617 -0.06084 -0.00408 0.02554 135 4XZ -0.02636 -0.04680 0.02053 0.01962 0.01797 136 4YZ -0.19399 -0.04288 0.07857 0.04874 -0.01806 137 17 C 1S 0.00074 0.00000 -0.00743 0.00000 -0.00682 138 2S 0.01634 0.00000 -0.12548 0.00000 -0.07193 139 2PX -0.00488 0.00000 0.01573 0.00000 -0.06208 140 2PY 0.00000 -0.03485 0.00001 -0.22520 0.00000 141 2PZ 0.03081 0.00000 -0.04164 -0.00002 -0.01870 142 3S 0.03849 0.00001 0.46531 0.00002 0.66529 143 3PX 0.12278 -0.00001 -0.11298 0.00000 0.01771 144 3PY 0.00002 -0.28309 -0.00001 -0.72635 0.00002 145 3PZ -0.34182 -0.00001 0.18419 -0.00006 -0.18306 146 4XX -0.09718 0.00000 0.02632 0.00000 -0.03335 147 4YY 0.02025 -0.00004 0.02671 -0.00001 0.04150 148 4ZZ 0.08013 0.00004 -0.04832 0.00001 -0.00088 149 4XY -0.00001 -0.21199 0.00000 0.06641 0.00000 150 4XZ 0.03031 -0.00002 -0.04432 0.00001 0.03235 151 4YZ 0.00000 0.27131 0.00001 0.09134 0.00000 152 18 H 1S -0.01359 0.10258 0.05904 -0.24379 0.04609 153 2S 0.03318 0.14197 0.06968 -0.38025 0.11083 154 19 H 1S 0.01683 0.00000 -0.03692 0.00000 -0.03038 155 2S 0.19134 -0.00001 -0.23564 0.00000 -0.00640 156 20 H 1S -0.01359 -0.10258 0.05904 0.24379 0.04609 157 2S 0.03317 -0.14197 0.06968 0.38026 0.11083 158 21 O 1S -0.00041 0.00261 -0.00128 0.05076 0.01116 159 2S -0.04572 -0.00002 0.00732 0.82332 0.14873 160 2PX 0.08892 0.12812 0.00097 0.02277 0.03664 161 2PY 0.02576 0.04648 0.00151 0.19767 0.05598 162 2PZ -0.02727 0.03065 0.04204 0.07315 -0.00273 163 3S 0.09525 0.03239 -0.00497 -2.36689 -0.47568 164 3PX -0.27627 -0.39649 -0.05286 -0.04332 -0.15543 165 3PY -0.09984 -0.14710 -0.02811 -0.79108 -0.27395 166 3PZ 0.13894 -0.08189 -0.17961 -0.16067 -0.03698 167 4XX -0.22357 0.16256 0.08906 0.13915 0.05502 168 4YY 0.02324 0.01326 -0.04505 0.39742 0.04834 169 4ZZ 0.15850 -0.16976 -0.04356 0.10225 0.01049 170 4XY 0.08474 0.11689 -0.01309 -0.03642 0.01813 171 4XZ 0.08443 -0.00773 -0.03149 0.15583 0.03348 172 4YZ -0.12886 -0.05688 0.06727 0.03019 0.01965 173 22 O 1S -0.00041 -0.00261 -0.00128 -0.05076 0.01116 174 2S -0.04572 0.00002 0.00733 -0.82332 0.14874 175 2PX 0.08892 -0.12812 0.00097 -0.02277 0.03664 176 2PY -0.02575 0.04649 -0.00152 0.19768 -0.05598 177 2PZ -0.02727 -0.03064 0.04204 -0.07312 -0.00274 178 3S 0.09527 -0.03238 -0.00500 2.36688 -0.47570 179 3PX -0.27625 0.39649 -0.05286 0.04331 -0.15543 180 3PY 0.09981 -0.14711 0.02815 -0.79110 0.27397 181 3PZ 0.13895 0.08185 -0.17961 0.16053 -0.03693 182 4XX -0.22358 -0.16255 0.08906 -0.13915 0.05502 183 4YY 0.02320 -0.01324 -0.04502 -0.39743 0.04835 184 4ZZ 0.15855 0.16973 -0.04358 -0.10224 0.01049 185 4XY -0.08474 0.11690 0.01309 -0.03639 -0.01813 186 4XZ 0.08442 0.00775 -0.03148 -0.15584 0.03348 187 4YZ 0.12883 -0.05692 -0.06727 0.03013 -0.01964 188 23 H 1S -0.02911 0.00000 -0.03793 0.00000 -0.03858 189 2S -0.02218 0.00000 -0.00246 0.00000 -0.13443 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63999 1.66109 1.72044 1.72342 1 1 C 1S 0.00886 -0.01621 -0.01319 0.00180 0.00715 2 2S 0.08472 -0.44149 -0.29761 0.04316 0.01898 3 2PX -0.01935 -0.14540 -0.08119 0.00715 -0.00714 4 2PY -0.03675 -0.02995 0.00643 0.10089 0.03042 5 2PZ -0.01439 -0.03087 -0.01757 -0.01860 -0.04835 6 3S -0.58729 1.82284 1.23403 0.06926 -0.30089 7 3PX -0.22969 1.09016 0.48663 -0.06767 -0.19705 8 3PY 0.24824 0.85203 0.67208 -0.29125 -0.08740 9 3PZ -0.11418 1.25689 0.61036 -0.08916 -0.08378 10 4XX -0.04494 0.24397 0.08629 -0.01687 -0.17762 11 4YY 0.03285 -0.01244 0.00086 -0.09011 -0.00061 12 4ZZ 0.04305 -0.20707 -0.08504 0.11952 0.20297 13 4XY 0.07918 0.01586 -0.01734 -0.12175 -0.03226 14 4XZ 0.03926 -0.06681 -0.03817 -0.04703 -0.02561 15 4YZ 0.04071 0.09582 0.05269 0.01504 0.00590 16 2 C 1S 0.00886 0.01621 0.01319 0.00180 0.00715 17 2S 0.08472 0.44149 0.29761 0.04316 0.01898 18 2PX -0.01935 0.14540 0.08119 0.00715 -0.00714 19 2PY 0.03675 -0.02995 0.00643 -0.10089 -0.03041 20 2PZ -0.01438 0.03087 0.01757 -0.01862 -0.04836 21 3S -0.58729 -1.82283 -1.23403 0.06928 -0.30088 22 3PX -0.22971 -1.09015 -0.48662 -0.06767 -0.19704 23 3PY -0.24823 0.85224 0.67218 0.29127 0.08741 24 3PZ -0.11424 -1.25674 -0.61024 -0.08910 -0.08376 25 4XX -0.04495 -0.24397 -0.08629 -0.01686 -0.17762 26 4YY 0.03286 0.01241 -0.00088 -0.09011 -0.00061 27 4ZZ 0.04304 0.20709 0.08506 0.11951 0.20297 28 4XY -0.07918 0.01585 -0.01734 0.12176 0.03226 29 4XZ 0.03925 0.06681 0.03817 -0.04701 -0.02561 30 4YZ -0.04071 0.09578 0.05268 -0.01508 -0.00593 31 3 C 1S -0.06585 0.00885 0.02090 -0.00379 -0.00654 32 2S -0.86152 0.21282 0.24307 0.00594 -0.14045 33 2PX -0.12200 0.04610 0.02962 0.01770 0.00299 34 2PY -0.03386 -0.05602 -0.01735 -0.01745 0.04921 35 2PZ 0.06053 -0.11512 -0.03243 0.09041 -0.03195 36 3S 2.89480 0.70133 -0.02464 0.21338 0.44713 37 3PX 0.56277 -0.18131 -0.19363 0.07328 0.04846 38 3PY 0.24657 -0.40120 -0.29759 -0.31084 -0.56070 39 3PZ 0.09289 0.11819 0.17431 0.12386 -0.11852 40 4XX 0.01463 0.21310 0.09796 0.05636 0.09150 41 4YY -0.05877 -0.01230 0.03552 -0.02363 -0.08415 42 4ZZ -0.01470 -0.20045 -0.09827 -0.01147 0.00679 43 4XY 0.13105 0.18237 0.08478 0.04360 0.02080 44 4XZ -0.08624 0.04661 -0.01107 -0.09245 -0.04629 45 4YZ -0.10410 -0.21161 -0.09611 0.16259 -0.01166 46 4 C 1S 0.02591 0.00195 0.01450 0.01469 0.00472 47 2S 0.33623 0.04623 0.26317 0.19162 0.08344 48 2PX 0.02973 0.06849 0.04864 0.04069 0.00013 49 2PY 0.00506 -0.00560 0.01057 0.07060 -0.04896 50 2PZ 0.05336 -0.03427 -0.02592 -0.06373 -0.05725 51 3S -1.44969 -0.34981 -0.94866 -0.57965 -0.14172 52 3PX 0.02106 -0.41034 -0.21781 -0.11533 0.01412 53 3PY -0.48962 0.20973 0.30311 -0.13000 0.17191 54 3PZ 0.32279 0.20117 0.00176 0.24858 0.19681 55 4XX -0.03709 0.00066 -0.00060 -0.04812 0.08645 56 4YY 0.01473 -0.02183 -0.01095 0.20139 0.05178 57 4ZZ 0.03342 0.01297 0.01293 -0.13248 -0.14723 58 4XY -0.00072 0.05657 0.00545 0.04803 -0.05434 59 4XZ 0.12913 0.07515 0.04106 -0.07491 -0.04519 60 4YZ 0.21143 0.06638 0.06010 0.10802 -0.20435 61 5 C 1S 0.02591 -0.00195 -0.01450 0.01469 0.00472 62 2S 0.33623 -0.04623 -0.26317 0.19163 0.08341 63 2PX 0.02973 -0.06849 -0.04864 0.04069 0.00013 64 2PY -0.00507 -0.00561 0.01057 -0.07059 0.04897 65 2PZ 0.05335 0.03427 0.02592 -0.06374 -0.05724 66 3S -1.44972 0.34984 0.94866 -0.57969 -0.14161 67 3PX 0.02108 0.41034 0.21781 -0.11533 0.01412 68 3PY 0.48956 0.20976 0.30310 0.12995 -0.17193 69 3PZ 0.32288 -0.20114 -0.00171 0.24861 0.19677 70 4XX -0.03709 -0.00066 0.00060 -0.04812 0.08645 71 4YY 0.01480 0.02181 0.01094 0.20142 0.05172 72 4ZZ 0.03335 -0.01295 -0.01291 -0.13251 -0.14717 73 4XY 0.00070 0.05658 0.00546 -0.04802 0.05434 74 4XZ 0.12913 -0.07514 -0.04106 -0.07492 -0.04518 75 4YZ -0.21143 0.06639 0.06011 -0.10796 0.20439 76 6 C 1S -0.06585 -0.00884 -0.02090 -0.00379 -0.00654 77 2S -0.86152 -0.21281 -0.24306 0.00594 -0.14045 78 2PX -0.12200 -0.04610 -0.02962 0.01770 0.00299 79 2PY 0.03384 -0.05604 -0.01736 0.01743 -0.04921 80 2PZ 0.06054 0.11511 0.03243 0.09041 -0.03196 81 3S 2.89480 -0.70138 0.02463 0.21340 0.44711 82 3PX 0.56277 0.18130 0.19362 0.07328 0.04845 83 3PY -0.24657 -0.40119 -0.29757 0.31083 0.56072 84 3PZ 0.09286 -0.11826 -0.17436 0.12391 -0.11843 85 4XX 0.01462 -0.21309 -0.09796 0.05636 0.09150 86 4YY -0.05880 0.01237 -0.03549 -0.02358 -0.08415 87 4ZZ -0.01467 0.20039 0.09824 -0.01152 0.00680 88 4XY -0.13103 0.18238 0.08478 -0.04358 -0.02080 89 4XZ -0.08627 -0.04658 0.01108 -0.09246 -0.04629 90 4YZ 0.10409 -0.21165 -0.09614 -0.16260 0.01165 91 7 H 1S -0.02223 0.27178 0.14153 -0.03415 -0.03786 92 2S 0.01967 0.52926 0.24152 -0.09396 -0.04128 93 8 H 1S -0.02223 -0.27178 -0.14153 -0.03415 -0.03786 94 2S 0.01967 -0.52926 -0.24152 -0.09396 -0.04128 95 9 H 1S -0.40056 -0.01175 0.04642 0.09509 0.09165 96 2S -0.42924 0.12551 0.12479 0.08766 0.24746 97 10 H 1S 0.10228 0.11413 0.05493 0.01338 0.05452 98 2S 0.14284 0.01886 0.21783 0.17276 -0.08149 99 11 H 1S 0.10228 -0.11413 -0.05493 0.01339 0.05451 100 2S 0.14284 -0.01886 -0.21783 0.17277 -0.08150 101 12 H 1S -0.40056 0.01176 -0.04642 0.09509 0.09165 102 2S -0.42924 -0.12550 -0.12479 0.08767 0.24746 103 13 H 1S 0.13092 0.04098 -0.04359 0.00955 0.03394 104 2S 0.13306 0.18514 0.02261 -0.03751 -0.05585 105 14 H 1S 0.13092 -0.04098 0.04359 0.00954 0.03394 106 2S 0.13305 -0.18515 -0.02261 -0.03751 -0.05584 107 15 C 1S 0.04040 0.01152 0.02962 0.00002 0.02805 108 2S 0.60436 0.17830 0.43691 -0.07039 0.23451 109 2PX -0.05271 -0.03005 -0.15245 0.05061 -0.06211 110 2PY -0.06550 0.02312 -0.05147 -0.06818 -0.02266 111 2PZ 0.00405 -0.03319 0.03689 -0.00801 0.05290 112 3S -1.95161 -0.16178 -1.51077 0.29965 -1.27058 113 3PX -0.02016 0.73272 0.44814 0.16653 -0.10957 114 3PY 0.80079 -0.35691 0.20483 0.04241 0.70144 115 3PZ -0.31301 0.42158 0.50424 0.12449 0.00465 116 4XX -0.13151 -0.09402 0.25049 0.00256 0.10736 117 4YY 0.01154 0.00610 0.00870 0.02816 -0.02753 118 4ZZ 0.14565 0.11787 -0.23972 -0.03001 -0.03011 119 4XY -0.13906 -0.06846 0.04774 0.04181 0.33947 120 4XZ -0.05060 0.04511 -0.06150 0.05989 -0.19639 121 4YZ 0.14717 0.01670 0.15472 0.04144 -0.13419 122 16 C 1S 0.04040 -0.01152 -0.02962 0.00002 0.02805 123 2S 0.60435 -0.17831 -0.43691 -0.07039 0.23452 124 2PX -0.05271 0.03005 0.15245 0.05061 -0.06211 125 2PY 0.06550 0.02312 -0.05146 0.06818 0.02265 126 2PZ 0.00406 0.03319 -0.03690 -0.00800 0.05291 127 3S -1.95158 0.16182 1.51079 0.29966 -1.27060 128 3PX -0.02017 -0.73272 -0.44814 0.16653 -0.10957 129 3PY -0.80076 -0.35683 0.20492 -0.04243 -0.70145 130 3PZ -0.31315 -0.42164 -0.50420 0.12448 0.00455 131 4XX -0.13151 0.09402 -0.25049 0.00256 0.10736 132 4YY 0.01158 -0.00610 -0.00874 0.02818 -0.02757 133 4ZZ 0.14560 -0.11787 0.23977 -0.03002 -0.03007 134 4XY 0.13907 -0.06845 0.04773 -0.04182 -0.33944 135 4XZ -0.05057 -0.04512 0.06151 0.05988 -0.19645 136 4YZ -0.14720 0.01672 0.15468 -0.04143 0.13419 137 17 C 1S -0.04133 0.00000 0.00000 -0.05840 -0.02191 138 2S -0.49555 0.00000 0.00000 -0.84460 -0.20615 139 2PX 0.01204 0.00000 0.00000 -0.02711 -0.06461 140 2PY 0.00001 -0.01600 -0.08175 0.00001 0.00001 141 2PZ -0.09207 0.00000 -0.00001 -0.07415 -0.13709 142 3S 2.24358 -0.00002 0.00000 3.62504 1.60467 143 3PX -0.26797 0.00000 0.00000 -0.60154 -0.20793 144 3PY 0.00001 0.03154 -0.23330 0.00006 -0.00001 145 3PZ -0.11189 0.00000 -0.00002 -0.76187 0.10963 146 4XX 0.02130 0.00000 0.00000 -0.00157 -0.11156 147 4YY 0.05038 0.00001 -0.00002 0.14093 0.23144 148 4ZZ -0.03712 -0.00001 0.00002 -0.11788 -0.09506 149 4XY 0.00000 0.03201 -0.10568 -0.00002 0.00002 150 4XZ -0.01872 0.00000 -0.00001 0.19832 -0.22653 151 4YZ 0.00001 -0.04261 0.13029 0.00003 0.00003 152 18 H 1S 0.16765 -0.00466 -0.34682 -0.04739 0.33493 153 2S 0.33031 -0.10407 -0.44350 0.02258 0.31103 154 19 H 1S -0.18728 0.00000 0.00000 -0.12614 -0.17730 155 2S -0.33603 0.00000 0.00000 -0.33186 -0.27370 156 20 H 1S 0.16765 0.00466 0.34682 -0.04739 0.33492 157 2S 0.33031 0.10407 0.44350 0.02258 0.31102 158 21 O 1S -0.00354 0.02179 -0.00016 0.05705 -0.00339 159 2S -0.06708 0.45275 -0.05977 0.81997 0.01220 160 2PX 0.13681 -0.07074 0.01650 0.03075 0.04643 161 2PY 0.08828 0.05002 -0.02751 0.07790 0.15159 162 2PZ 0.12578 -0.05566 0.10645 -0.02446 0.07603 163 3S 0.23673 -1.24078 0.04594 -2.75058 0.08295 164 3PX -0.73374 0.35975 -0.25333 -0.19577 -0.55463 165 3PY -0.42522 -0.15275 -0.05190 -0.89460 -0.48591 166 3PZ -0.60160 0.22879 -0.24529 -0.12106 -0.58492 167 4XX 0.00872 0.20349 -0.27272 0.14539 0.00325 168 4YY -0.08099 0.11499 0.10901 0.38299 -0.10105 169 4ZZ 0.02454 -0.01750 0.14048 0.03595 0.11409 170 4XY -0.01822 -0.13344 0.15336 -0.04228 0.14747 171 4XZ -0.05819 0.10992 0.01003 0.24468 -0.08073 172 4YZ 0.08770 0.15773 -0.29335 0.07009 0.05625 173 22 O 1S -0.00354 -0.02179 0.00016 0.05705 -0.00339 174 2S -0.06708 -0.45275 0.05977 0.81997 0.01219 175 2PX 0.13681 0.07074 -0.01650 0.03075 0.04643 176 2PY -0.08830 0.05001 -0.02749 -0.07789 -0.15160 177 2PZ 0.12576 0.05566 -0.10645 -0.02447 0.07601 178 3S 0.23672 1.24077 -0.04595 -2.75058 0.08295 179 3PX -0.73374 -0.35974 0.25333 -0.19577 -0.55463 180 3PY 0.42532 -0.15272 -0.05194 0.89462 0.48600 181 3PZ -0.60153 -0.22881 0.24528 -0.12091 -0.58485 182 4XX 0.00872 -0.20349 0.27272 0.14539 0.00324 183 4YY -0.08097 -0.11504 -0.10893 0.38301 -0.10103 184 4ZZ 0.02452 0.01755 -0.14056 0.03593 0.11408 185 4XY 0.01823 -0.13342 0.15336 0.04224 -0.14745 186 4XZ -0.05819 -0.10994 -0.01000 0.24469 -0.08076 187 4YZ -0.08772 0.15771 -0.29335 -0.07002 -0.05629 188 23 H 1S -0.23758 0.00000 0.00000 -0.28516 -0.09812 189 2S -0.17540 0.00000 0.00000 -0.31561 -0.10313 131 132 133 134 135 V V V V V Eigenvalues -- 1.75844 1.77089 1.79419 1.86000 1.87778 1 1 C 1S 0.01122 0.00162 0.00062 -0.01333 0.01748 2 2S 0.12814 -0.04613 0.03932 0.04263 0.13394 3 2PX -0.01439 0.02878 0.06883 0.03668 0.04032 4 2PY 0.00468 -0.10434 -0.07960 0.10486 0.01537 5 2PZ -0.02006 0.05752 0.12896 0.06129 0.05688 6 3S -0.66199 0.03724 0.15218 1.12898 -0.50206 7 3PX -0.42165 -0.01482 0.38260 0.36596 -0.20970 8 3PY -0.18897 0.12014 0.49071 0.44234 0.04658 9 3PZ -0.38547 -0.05086 0.43236 0.50675 -0.14991 10 4XX -0.00192 -0.02478 0.17811 0.03265 0.00844 11 4YY -0.01884 0.17840 -0.02460 0.12605 0.01560 12 4ZZ -0.02469 -0.15695 -0.15864 -0.13246 0.04047 13 4XY -0.03993 0.08697 0.00663 -0.05160 0.00710 14 4XZ 0.11770 -0.10981 -0.22737 -0.01496 -0.29000 15 4YZ 0.01845 0.01905 -0.20112 0.00364 -0.00604 16 2 C 1S -0.01122 0.00162 0.00062 0.01333 0.01748 17 2S -0.12814 -0.04612 0.03932 -0.04263 0.13394 18 2PX 0.01439 0.02878 0.06883 -0.03668 0.04032 19 2PY 0.00468 0.10433 0.07958 0.10487 -0.01539 20 2PZ 0.02006 0.05754 0.12897 -0.06127 0.05688 21 3S 0.66200 0.03722 0.15220 -1.12898 -0.50204 22 3PX 0.42166 -0.01482 0.38260 -0.36596 -0.20969 23 3PY -0.18905 -0.12012 -0.49079 0.44242 -0.04656 24 3PZ 0.38545 -0.05089 0.43229 -0.50667 -0.14990 25 4XX 0.00193 -0.02478 0.17811 -0.03265 0.00844 26 4YY 0.01884 0.17840 -0.02465 -0.12605 0.01560 27 4ZZ 0.02469 -0.15695 -0.15858 0.13246 0.04047 28 4XY -0.03991 -0.08695 -0.00659 -0.05160 -0.00705 29 4XZ -0.11771 -0.10982 -0.22737 0.01494 -0.29001 30 4YZ 0.01845 -0.01899 0.20115 0.00359 0.00603 31 3 C 1S -0.02083 0.00894 0.01305 -0.01184 -0.00028 32 2S -0.21966 -0.15007 0.42521 0.02956 -0.08287 33 2PX 0.01555 -0.10628 0.05179 0.04973 -0.09436 34 2PY -0.08121 0.01625 -0.17804 -0.05543 -0.03124 35 2PZ 0.16313 -0.16018 0.07980 0.02017 -0.01126 36 3S 1.44400 0.16630 -1.04184 0.80911 0.31583 37 3PX 0.50938 0.19358 0.05047 -0.53069 0.05476 38 3PY -0.00285 -0.12669 1.24034 -0.64364 -0.40481 39 3PZ 0.64801 0.22907 -0.24882 0.03747 -0.19185 40 4XX 0.03788 0.00110 0.03389 0.00840 0.15841 41 4YY -0.00261 -0.04571 -0.07294 -0.12211 -0.12118 42 4ZZ 0.01895 0.08845 0.02361 0.11679 0.04442 43 4XY -0.13103 -0.12431 -0.15864 0.36435 -0.14601 44 4XZ -0.14278 0.03967 -0.01953 -0.33686 -0.15218 45 4YZ -0.03599 -0.24410 0.06019 0.09692 0.01488 46 4 C 1S 0.12518 -0.00035 -0.00846 0.00080 -0.00965 47 2S 1.56376 0.14148 -0.14165 0.27158 -0.08499 48 2PX 0.02245 0.05759 0.02208 -0.12186 0.03198 49 2PY 0.06204 -0.22715 0.09263 -0.00463 -0.05463 50 2PZ -0.12569 0.09399 0.00631 -0.05124 0.02298 51 3S -5.60514 -0.22440 0.61786 -0.87341 0.29313 52 3PX -0.03128 -0.14688 -0.25634 1.41133 -0.02940 53 3PY 0.91702 0.24905 -0.20177 0.29294 0.22997 54 3PZ 0.81741 0.02765 -0.31811 0.05408 0.08192 55 4XX 0.02089 0.10455 -0.10915 0.23054 0.11899 56 4YY -0.02763 -0.30975 -0.03438 0.03630 -0.07209 57 4ZZ 0.05486 0.19215 0.16311 -0.28340 -0.03570 58 4XY -0.00577 -0.11446 0.01439 -0.26259 0.02212 59 4XZ 0.08593 0.09073 0.10702 -0.01459 -0.06957 60 4YZ 0.13251 -0.16748 0.36422 -0.03472 -0.02341 61 5 C 1S -0.12518 -0.00035 -0.00846 -0.00080 -0.00965 62 2S -1.56376 0.14150 -0.14164 -0.27158 -0.08500 63 2PX -0.02244 0.05759 0.02208 0.12186 0.03198 64 2PY 0.06202 0.22713 -0.09263 -0.00464 0.05462 65 2PZ 0.12570 0.09403 0.00629 0.05124 0.02298 66 3S 5.60515 -0.22444 0.61780 0.87342 0.29314 67 3PX 0.03128 -0.14688 -0.25633 -1.41133 -0.02939 68 3PY 0.91716 -0.24907 0.20182 0.29295 -0.22998 69 3PZ -0.81726 0.02761 -0.31807 -0.05403 0.08189 70 4XX -0.02089 0.10455 -0.10915 -0.23054 0.11899 71 4YY 0.02759 -0.30980 -0.03427 -0.03629 -0.07210 72 4ZZ -0.05481 0.19220 0.16300 0.28340 -0.03570 73 4XY -0.00575 0.11445 -0.01440 -0.26259 -0.02211 74 4XZ -0.08593 0.09075 0.10701 0.01455 -0.06957 75 4YZ 0.13252 0.16738 -0.36426 -0.03479 0.02340 76 6 C 1S 0.02083 0.00894 0.01305 0.01184 -0.00029 77 2S 0.21966 -0.15007 0.42520 -0.02955 -0.08288 78 2PX -0.01555 -0.10628 0.05179 -0.04973 -0.09436 79 2PY -0.08118 -0.01622 0.17802 -0.05542 0.03124 80 2PZ -0.16314 -0.16018 0.07983 -0.02018 -0.01125 81 3S -1.44401 0.16630 -1.04180 -0.80912 0.31585 82 3PX -0.50938 0.19358 0.05046 0.53068 0.05476 83 3PY -0.00277 0.12665 -1.24029 -0.64365 0.40486 84 3PZ -0.64801 0.22910 -0.24902 -0.03758 -0.19178 85 4XX -0.03788 0.00110 0.03389 -0.00840 0.15841 86 4YY 0.00262 -0.04578 -0.07292 0.12208 -0.12117 87 4ZZ -0.01896 0.08852 0.02360 -0.11677 0.04442 88 4XY -0.13105 0.12431 0.15864 0.36430 0.14603 89 4XZ 0.14276 0.03969 -0.01951 0.33693 -0.15216 90 4YZ -0.03598 0.24407 -0.06021 0.09696 -0.01491 91 7 H 1S -0.12093 0.05675 0.39238 0.13903 0.12566 92 2S -0.17671 0.00011 0.22489 0.18607 -0.04272 93 8 H 1S 0.12094 0.05675 0.39238 -0.13903 0.12567 94 2S 0.17671 0.00011 0.22489 -0.18607 -0.04271 95 9 H 1S -0.13468 0.06205 -0.09442 0.13470 0.14745 96 2S -0.17793 -0.00715 -0.38269 0.15260 0.13374 97 10 H 1S 0.43475 0.00264 -0.03725 -0.28151 -0.05734 98 2S 0.33046 0.06394 0.15438 -0.34538 -0.13417 99 11 H 1S -0.43475 0.00265 -0.03725 0.28151 -0.05735 100 2S -0.33045 0.06394 0.15438 0.34538 -0.13417 101 12 H 1S 0.13468 0.06205 -0.09442 -0.13471 0.14745 102 2S 0.17791 -0.00715 -0.38269 -0.15261 0.13375 103 13 H 1S -0.40226 -0.04098 -0.08462 -0.20809 -0.09655 104 2S -0.24800 -0.03880 -0.03964 -0.39228 -0.06898 105 14 H 1S 0.40226 -0.04099 -0.08462 0.20809 -0.09655 106 2S 0.24800 -0.03880 -0.03965 0.39229 -0.06898 107 15 C 1S -0.00438 0.00093 -0.01068 -0.00721 0.01815 108 2S 0.02504 -0.01284 -0.11727 -0.15408 0.34222 109 2PX -0.00480 -0.01380 -0.05845 0.03455 0.09219 110 2PY 0.10177 -0.04660 -0.07240 -0.00403 -0.02097 111 2PZ 0.09579 -0.03146 -0.02691 -0.01809 0.19955 112 3S -0.55919 0.02083 -0.05551 0.62423 -0.43691 113 3PX -0.66906 0.11326 0.00062 0.02062 -0.01794 114 3PY -0.83869 0.08771 0.39884 0.30280 0.01143 115 3PZ -0.98678 0.07773 0.28729 0.09389 -0.18478 116 4XX 0.00615 0.01904 0.05969 -0.01990 -0.08685 117 4YY 0.01853 0.02047 -0.03286 0.00551 0.11510 118 4ZZ -0.08148 -0.05422 -0.03536 0.03315 -0.06617 119 4XY -0.10620 0.07392 0.16390 0.04422 -0.20439 120 4XZ 0.09135 0.07371 -0.11051 0.00133 -0.13704 121 4YZ -0.02603 0.05061 0.00499 -0.04265 -0.26330 122 16 C 1S 0.00438 0.00093 -0.01068 0.00721 0.01815 123 2S -0.02504 -0.01284 -0.11727 0.15408 0.34221 124 2PX 0.00480 -0.01380 -0.05845 -0.03455 0.09219 125 2PY 0.10179 0.04661 0.07241 -0.00403 0.02093 126 2PZ -0.09577 -0.03146 -0.02689 0.01809 0.19955 127 3S 0.55921 0.02082 -0.05553 -0.62423 -0.43689 128 3PX 0.66907 0.11326 0.00061 -0.02062 -0.01795 129 3PY -0.83885 -0.08772 -0.39888 0.30282 -0.01142 130 3PZ 0.98664 0.07771 0.28721 -0.09384 -0.18476 131 4XX -0.00615 0.01904 0.05968 0.01990 -0.08685 132 4YY -0.01852 0.02048 -0.03286 -0.00550 0.11503 133 4ZZ 0.08147 -0.05423 -0.03536 -0.03316 -0.06610 134 4XY -0.10618 -0.07393 -0.16388 0.04422 0.20442 135 4XZ -0.09136 0.07370 -0.11054 -0.00133 -0.13702 136 4YZ -0.02605 -0.05059 -0.00499 -0.04264 0.26334 137 17 C 1S 0.00000 -0.02977 0.01146 0.00000 -0.03006 138 2S 0.00000 -0.45854 0.14946 0.00000 -0.28464 139 2PX 0.00000 0.02921 -0.09250 0.00000 0.07303 140 2PY 0.10026 0.00001 0.00000 -0.01890 0.00000 141 2PZ 0.00001 -0.06272 -0.04586 0.00000 0.02805 142 3S 0.00001 1.87796 0.00906 0.00001 0.93831 143 3PX 0.00000 -0.31815 0.12496 0.00000 -0.72136 144 3PY 0.19509 0.00004 -0.00001 0.01325 -0.00001 145 3PZ 0.00001 -0.47318 0.13207 0.00000 0.04947 146 4XX 0.00000 0.03864 -0.15256 0.00000 0.15345 147 4YY 0.00000 0.15514 0.19580 0.00001 -0.39589 148 4ZZ 0.00000 -0.17950 -0.04513 -0.00001 0.27177 149 4XY -0.09810 0.00000 0.00001 0.03606 -0.00002 150 4XZ -0.00001 0.05056 -0.12548 0.00000 0.20775 151 4YZ 0.00606 0.00003 0.00002 -0.06808 -0.00006 152 18 H 1S 0.17729 -0.04775 0.09548 0.00917 0.26070 153 2S 0.60113 0.10195 0.21682 -0.01288 -0.08182 154 19 H 1S 0.00000 -0.00291 0.01403 0.00000 -0.36282 155 2S 0.00000 -0.09466 -0.09015 0.00000 -0.08663 156 20 H 1S -0.17729 -0.04775 0.09548 -0.00917 0.26070 157 2S -0.60114 0.10196 0.21682 0.01288 -0.08183 158 21 O 1S -0.01605 0.02679 0.00078 0.00054 0.00939 159 2S -0.12761 0.43369 0.07309 -0.01532 0.12946 160 2PX -0.01721 0.01196 -0.05324 0.01837 0.00220 161 2PY 0.04208 0.02618 0.06272 -0.00846 0.03898 162 2PZ 0.02560 -0.01220 0.00889 -0.00862 0.05846 163 3S 0.74958 -1.41934 -0.10833 -0.04144 -0.41780 164 3PX -0.02000 -0.14220 -0.02435 0.00795 0.09683 165 3PY 0.13136 -0.46513 -0.19548 -0.00535 -0.16548 166 3PZ 0.02626 -0.09736 -0.15992 0.01419 -0.09814 167 4XX 0.00922 0.05153 -0.01736 0.02090 0.00733 168 4YY -0.16029 0.18223 -0.03387 -0.01702 0.08558 169 4ZZ 0.01576 0.03331 0.09925 -0.00425 0.00947 170 4XY 0.02328 -0.06692 0.12529 0.00414 0.02802 171 4XZ 0.13656 0.16404 0.01430 -0.05732 -0.07928 172 4YZ 0.05580 0.10454 -0.00214 -0.01798 -0.15678 173 22 O 1S 0.01605 0.02679 0.00078 -0.00054 0.00939 174 2S 0.12762 0.43369 0.07309 0.01532 0.12947 175 2PX 0.01721 0.01196 -0.05324 -0.01837 0.00220 176 2PY 0.04208 -0.02618 -0.06272 -0.00847 -0.03899 177 2PZ -0.02559 -0.01221 0.00888 0.00862 0.05846 178 3S -0.74961 -1.41934 -0.10831 0.04143 -0.41780 179 3PX 0.02000 -0.14219 -0.02436 -0.00795 0.09683 180 3PY 0.13137 0.46515 0.19551 -0.00534 0.16550 181 3PZ -0.02623 -0.09728 -0.15989 -0.01420 -0.09811 182 4XX -0.00922 0.05153 -0.01736 -0.02090 0.00733 183 4YY 0.16028 0.18226 -0.03387 0.01703 0.08553 184 4ZZ -0.01574 0.03328 0.09925 0.00424 0.00953 185 4XY 0.02331 0.06690 -0.12530 0.00413 -0.02801 186 4XZ -0.13655 0.16405 0.01428 0.05732 -0.07928 187 4YZ 0.05583 -0.10451 0.00211 -0.01798 0.15680 188 23 H 1S 0.00000 -0.20713 0.07896 0.00000 -0.03277 189 2S 0.00000 -0.14019 -0.06815 0.00000 0.20165 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93561 1.95824 1.97652 1 1 C 1S -0.00129 -0.01173 0.00808 -0.00054 0.00031 2 2S 0.06133 -0.33204 -0.05921 -0.08530 0.04686 3 2PX 0.03101 -0.04515 0.02103 -0.05788 0.01283 4 2PY 0.04197 -0.10036 -0.08220 0.17759 0.07771 5 2PZ 0.02364 0.00541 0.01660 -0.05958 0.00765 6 3S 0.13802 0.61177 -0.13713 0.17759 -0.20488 7 3PX 0.05613 0.25410 -0.13884 0.34534 0.05868 8 3PY 0.15308 0.10513 0.10869 -0.33963 -0.04979 9 3PZ 0.19350 0.21517 -0.02354 0.46784 0.09407 10 4XX -0.01908 -0.15565 -0.20986 -0.10458 0.10928 11 4YY 0.03076 0.21575 0.20241 0.01482 -0.12284 12 4ZZ 0.00114 -0.14538 0.00754 0.05819 -0.00005 13 4XY -0.03810 -0.03266 0.01402 -0.09659 -0.19647 14 4XZ -0.06256 0.12713 -0.14356 -0.11623 0.04818 15 4YZ -0.01234 -0.14867 -0.00689 -0.15037 -0.20388 16 2 C 1S 0.00129 -0.01173 0.00808 0.00054 0.00031 17 2S -0.06133 -0.33204 -0.05921 0.08531 0.04685 18 2PX -0.03100 -0.04515 0.02104 0.05789 0.01283 19 2PY 0.04197 0.10037 0.08220 0.17757 -0.07770 20 2PZ -0.02363 0.00542 0.01662 0.05961 0.00763 21 3S -0.13804 0.61176 -0.13712 -0.17760 -0.20486 22 3PX -0.05614 0.25409 -0.13884 -0.34534 0.05868 23 3PY 0.15312 -0.10517 -0.10869 -0.33955 0.04974 24 3PZ -0.19348 0.21515 -0.02356 -0.46790 0.09408 25 4XX 0.01908 -0.15565 -0.20986 0.10458 0.10928 26 4YY -0.03075 0.21571 0.20241 -0.01478 -0.12291 27 4ZZ -0.00114 -0.14534 0.00754 -0.05823 0.00001 28 4XY -0.03811 0.03264 -0.01399 -0.09661 0.19645 29 4XZ 0.06254 0.12714 -0.14357 0.11621 0.04822 30 4YZ -0.01235 0.14874 0.00693 -0.15037 0.20386 31 3 C 1S -0.00093 0.00089 -0.00047 -0.02238 0.00855 32 2S 0.06233 -0.07421 -0.00400 -0.45063 -0.14059 33 2PX 0.02045 0.03813 -0.06485 -0.04127 0.10329 34 2PY 0.06497 -0.02102 -0.06627 0.15547 0.12426 35 2PZ -0.04863 -0.01931 0.02262 -0.05145 0.06907 36 3S -0.27082 -0.14514 0.11408 1.31280 -0.14605 37 3PX -0.18401 0.20348 0.21455 -0.07912 -0.23949 38 3PY -0.21507 0.34598 -0.24188 0.16943 -0.17848 39 3PZ -0.03385 0.25696 -0.17267 0.13916 -0.16025 40 4XX -0.03811 -0.09739 0.18831 -0.25772 -0.00278 41 4YY 0.10528 -0.03103 -0.08182 0.40741 0.00070 42 4ZZ -0.08162 0.07858 -0.04246 -0.09329 -0.03742 43 4XY 0.04946 -0.01425 -0.29698 0.13397 0.06837 44 4XZ 0.01284 0.25138 -0.01000 -0.11374 0.09541 45 4YZ 0.07511 -0.04737 0.10413 -0.15460 0.06264 46 4 C 1S -0.03184 0.03101 0.00552 0.00095 -0.01529 47 2S -0.31307 -0.12486 -0.24084 -0.14944 -0.04542 48 2PX -0.03000 0.00926 -0.06669 -0.02876 -0.05578 49 2PY 0.00274 0.08246 0.11088 0.10599 -0.05541 50 2PZ 0.01178 0.02294 0.01413 0.08721 0.03136 51 3S 1.12403 -0.29570 0.18971 0.13731 0.32638 52 3PX 0.19263 -0.10234 -0.10179 0.52028 0.16870 53 3PY -0.21090 -0.29188 -0.05764 -0.60678 0.18188 54 3PZ -0.16978 -0.03768 0.05790 -0.36523 -0.12839 55 4XX 0.01095 -0.29056 -0.00247 -0.07564 0.10336 56 4YY 0.02394 0.32145 0.22705 -0.05282 -0.18764 57 4ZZ -0.03323 -0.02363 -0.18631 0.16037 0.08922 58 4XY 0.01935 -0.13201 -0.24605 -0.05122 -0.00672 59 4XZ -0.06172 0.21212 -0.09438 0.16624 -0.05263 60 4YZ 0.00766 -0.04115 0.01598 0.30071 -0.03017 61 5 C 1S 0.03184 0.03101 0.00552 -0.00095 -0.01529 62 2S 0.31307 -0.12486 -0.24083 0.14944 -0.04543 63 2PX 0.03001 0.00926 -0.06669 0.02876 -0.05578 64 2PY 0.00274 -0.08246 -0.11088 0.10601 0.05541 65 2PZ -0.01178 0.02293 0.01411 -0.08719 0.03137 66 3S -1.12402 -0.29572 0.18969 -0.13731 0.32636 67 3PX -0.19262 -0.10233 -0.10180 -0.52028 0.16872 68 3PY -0.21094 0.29188 0.05763 -0.60684 -0.18188 69 3PZ 0.16975 -0.03763 0.05792 0.36513 -0.12844 70 4XX -0.01094 -0.29056 -0.00246 0.07564 0.10336 71 4YY -0.02395 0.32143 0.22705 0.05272 -0.18765 72 4ZZ 0.03323 -0.02362 -0.18631 -0.16028 0.08924 73 4XY 0.01934 0.13198 0.24606 -0.05120 0.00675 74 4XZ 0.06172 0.21214 -0.09435 -0.16625 -0.05262 75 4YZ 0.00765 0.04122 -0.01590 0.30075 0.03013 76 6 C 1S 0.00093 0.00089 -0.00047 0.02238 0.00855 77 2S -0.06233 -0.07420 -0.00401 0.45063 -0.14057 78 2PX -0.02045 0.03813 -0.06485 0.04127 0.10330 79 2PY 0.06496 0.02102 0.06627 0.15546 -0.12427 80 2PZ 0.04864 -0.01931 0.02263 0.05147 0.06904 81 3S 0.27083 -0.14516 0.11410 -1.31279 -0.14612 82 3PX 0.18401 0.20347 0.21455 0.07912 -0.23950 83 3PY -0.21506 -0.34603 0.24191 0.16945 0.17852 84 3PZ 0.03381 0.25691 -0.17263 -0.13913 -0.16020 85 4XX 0.03811 -0.09739 0.18832 0.25772 -0.00278 86 4YY -0.10530 -0.03104 -0.08180 -0.40736 0.00070 87 4ZZ 0.08164 0.07860 -0.04249 0.09325 -0.03742 88 4XY 0.04946 0.01421 0.29699 0.13395 -0.06839 89 4XZ -0.01284 0.25138 -0.00995 0.11376 0.09540 90 4YZ 0.07507 0.04735 -0.10415 -0.15470 -0.06262 91 7 H 1S 0.10295 0.10255 0.07322 0.19710 0.17368 92 2S 0.07097 0.01802 -0.02618 0.03617 0.02150 93 8 H 1S -0.10295 0.10255 0.07322 -0.19709 0.17367 94 2S -0.07097 0.01802 -0.02618 -0.03617 0.02151 95 9 H 1S -0.00725 -0.00959 0.16428 -0.51594 0.04247 96 2S 0.15106 -0.14774 0.07188 -0.05853 0.06092 97 10 H 1S -0.12386 0.25385 0.17365 -0.12590 -0.08076 98 2S -0.13144 -0.00156 -0.06386 0.03142 -0.07969 99 11 H 1S 0.12386 0.25385 0.17365 0.12589 -0.08076 100 2S 0.13144 -0.00156 -0.06386 -0.03142 -0.07970 101 12 H 1S 0.00726 -0.00959 0.16428 0.51594 0.04249 102 2S -0.15105 -0.14774 0.07188 0.05852 0.06093 103 13 H 1S 0.09043 0.22363 -0.12165 -0.12724 -0.08422 104 2S -0.01337 -0.03390 -0.02113 -0.28872 0.07772 105 14 H 1S -0.09043 0.22363 -0.12164 0.12724 -0.08423 106 2S 0.01337 -0.03390 -0.02112 0.28872 0.07772 107 15 C 1S 0.00835 0.01018 -0.00142 -0.01407 -0.00144 108 2S 0.12240 0.02901 0.13467 -0.13331 0.21261 109 2PX -0.01876 0.08764 -0.07046 0.06260 0.12017 110 2PY 0.18556 0.00127 -0.00900 0.04383 -0.02226 111 2PZ -0.02114 0.05422 -0.04893 -0.02414 0.07423 112 3S 0.22271 0.10013 -0.25630 0.61454 0.17066 113 3PX -0.07279 -0.01357 0.06503 0.08259 -0.17751 114 3PY 0.80627 -0.07327 -0.04017 -0.01433 -0.29350 115 3PZ 0.63144 0.06557 -0.25042 0.35355 -0.34386 116 4XX -0.00755 0.04178 -0.13782 -0.01658 -0.10778 117 4YY 0.04543 0.02476 0.08110 0.04658 0.10549 118 4ZZ -0.03298 -0.02753 0.00747 0.00817 -0.01176 119 4XY -0.27383 -0.03981 -0.00618 0.03154 0.09391 120 4XZ -0.17034 -0.17989 0.14914 -0.05889 -0.22166 121 4YZ -0.05621 -0.13134 0.22153 -0.02812 0.22534 122 16 C 1S -0.00835 0.01018 -0.00142 0.01407 -0.00144 123 2S -0.12240 0.02902 0.13466 0.13331 0.21265 124 2PX 0.01877 0.08764 -0.07046 -0.06260 0.12017 125 2PY 0.18556 -0.00128 0.00901 0.04382 0.02225 126 2PZ 0.02118 0.05422 -0.04893 0.02415 0.07424 127 3S -0.22271 0.10008 -0.25626 -0.61454 0.17056 128 3PX 0.07279 -0.01358 0.06503 -0.08259 -0.17750 129 3PY 0.80637 0.07328 0.04021 -0.01427 0.29357 130 3PZ -0.63130 0.06556 -0.25041 -0.35355 -0.34383 131 4XX 0.00755 0.04177 -0.13782 0.01658 -0.10779 132 4YY -0.04541 0.02472 0.08117 -0.04657 0.10556 133 4ZZ 0.03296 -0.02749 0.00741 -0.00818 -0.01183 134 4XY -0.27386 0.03984 0.00615 0.03153 -0.09386 135 4XZ 0.17029 -0.17988 0.14914 0.05889 -0.22168 136 4YZ -0.05622 0.13135 -0.22151 -0.02812 -0.22532 137 17 C 1S 0.00000 -0.01995 0.01314 0.00000 -0.02277 138 2S 0.00000 -0.21822 0.13214 0.00000 -0.06184 139 2PX 0.00000 0.01872 0.04900 0.00000 -0.00809 140 2PY 0.04617 0.00000 0.00000 0.10076 -0.00001 141 2PZ 0.00000 -0.00156 -0.00196 0.00001 -0.03358 142 3S 0.00000 0.83152 -0.80870 0.00000 0.47156 143 3PX -0.00001 -0.40629 0.51732 0.00000 0.37565 144 3PY 0.19170 0.00000 0.00001 -0.04592 0.00004 145 3PZ 0.00002 -0.04820 -0.11530 0.00000 -0.39530 146 4XX 0.00000 0.08994 0.10174 0.00000 0.28096 147 4YY 0.00001 -0.16363 -0.00984 -0.00001 -0.30439 148 4ZZ -0.00001 0.09570 -0.09593 0.00001 0.02639 149 4XY -0.05573 -0.00001 0.00001 0.16920 -0.00001 150 4XZ 0.00000 0.10486 -0.11034 0.00002 -0.07875 151 4YZ -0.10778 -0.00003 0.00001 0.09153 -0.00005 152 18 H 1S -0.36614 0.12226 -0.22676 0.01837 -0.25887 153 2S -0.35122 -0.04404 0.01586 -0.05892 -0.19293 154 19 H 1S 0.00000 -0.16466 0.21636 0.00000 0.02248 155 2S 0.00000 -0.10738 0.17348 0.00000 0.12473 156 20 H 1S 0.36614 0.12226 -0.22675 -0.01836 -0.25888 157 2S 0.35122 -0.04403 0.01586 0.05892 -0.19293 158 21 O 1S -0.01508 0.01041 -0.01791 0.01366 -0.01444 159 2S 0.01773 0.26987 -0.24374 -0.03219 0.28886 160 2PX -0.00856 -0.05242 0.06140 -0.03511 -0.05774 161 2PY 0.21166 0.03269 -0.02570 -0.07736 0.09293 162 2PZ 0.05546 -0.00188 -0.07244 -0.09213 -0.13615 163 3S 0.17658 -0.76156 0.83164 -0.28196 -0.27692 164 3PX 0.05455 0.15220 -0.20870 0.15321 -0.06852 165 3PY -0.29771 -0.19188 0.27845 0.07068 -0.02797 166 3PZ -0.14140 -0.01416 0.20859 0.18076 0.27655 167 4XX 0.07845 0.05579 -0.05238 0.00808 -0.03657 168 4YY -0.44205 0.11112 -0.10666 0.08119 0.07365 169 4ZZ 0.29943 -0.01673 0.01177 -0.03816 0.05507 170 4XY 0.24518 0.00656 -0.11402 0.05718 -0.15912 171 4XZ 0.17126 -0.00816 -0.07737 -0.04329 -0.21508 172 4YZ 0.12690 -0.06810 0.13193 0.02414 0.12391 173 22 O 1S 0.01508 0.01041 -0.01791 -0.01366 -0.01444 174 2S -0.01773 0.26986 -0.24373 0.03219 0.28884 175 2PX 0.00856 -0.05242 0.06140 0.03511 -0.05775 176 2PY 0.21167 -0.03269 0.02571 -0.07737 -0.09289 177 2PZ -0.05543 -0.00189 -0.07244 0.09211 -0.13618 178 3S -0.17658 -0.76153 0.83162 0.28196 -0.27687 179 3PX -0.05454 0.15219 -0.20870 -0.15321 -0.06852 180 3PY -0.29773 0.19188 -0.27848 0.07071 0.02791 181 3PZ 0.14135 -0.01413 0.20854 -0.18075 0.27657 182 4XX -0.07845 0.05579 -0.05238 -0.00808 -0.03657 183 4YY 0.44202 0.11110 -0.10662 -0.08119 0.07368 184 4ZZ -0.29939 -0.01672 0.01173 0.03816 0.05503 185 4XY 0.24521 -0.00655 0.11404 0.05717 0.15914 186 4XZ -0.17122 -0.00817 -0.07735 0.04330 -0.21505 187 4YZ 0.12705 0.06812 -0.13195 0.02412 -0.12391 188 23 H 1S 0.00000 -0.05475 -0.13266 0.00000 -0.38088 189 2S 0.00000 0.06046 -0.06755 0.00000 -0.19193 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98100 2.00053 2.01936 2.04161 1 1 C 1S 0.00028 0.00209 0.01314 -0.00284 0.01247 2 2S -0.16796 -0.20959 0.04724 -0.06063 0.08290 3 2PX -0.04690 -0.07248 -0.00712 -0.02301 0.00574 4 2PY -0.10003 -0.07529 0.11702 0.01904 0.06558 5 2PZ -0.04764 -0.07100 0.05055 0.02869 0.03876 6 3S 0.34267 0.16232 -0.65713 0.06075 -0.45306 7 3PX -0.01809 -0.05762 -0.13781 0.11145 -0.18135 8 3PY 0.37197 0.35497 -0.05235 0.05175 -0.10230 9 3PZ 0.00186 -0.00193 -0.09379 0.08008 -0.20340 10 4XX 0.05188 0.02196 0.08299 0.06099 0.03498 11 4YY -0.05918 -0.07523 -0.10636 -0.08430 -0.02090 12 4ZZ 0.01064 0.04646 0.05037 0.04571 0.01063 13 4XY 0.10889 0.11686 -0.24332 -0.02834 -0.07989 14 4XZ 0.10143 0.07895 -0.08638 0.00257 -0.14120 15 4YZ 0.01628 -0.05086 -0.32335 -0.08113 -0.12300 16 2 C 1S -0.00028 -0.00209 0.01314 -0.00284 0.01247 17 2S 0.16796 0.20959 0.04723 -0.06062 0.08290 18 2PX 0.04690 0.07248 -0.00712 -0.02301 0.00574 19 2PY -0.10005 -0.07530 -0.11703 -0.01904 -0.06558 20 2PZ 0.04762 0.07099 0.05053 0.02869 0.03875 21 3S -0.34269 -0.16232 -0.65710 0.06073 -0.45305 22 3PX 0.01810 0.05762 -0.13781 0.11144 -0.18134 23 3PY 0.37197 0.35498 0.05234 -0.05176 0.10233 24 3PZ -0.00179 0.00199 -0.09377 0.08006 -0.20338 25 4XX -0.05187 -0.02195 0.08299 0.06099 0.03498 26 4YY 0.05917 0.07524 -0.10646 -0.08432 -0.02093 27 4ZZ -0.01064 -0.04648 0.05046 0.04573 0.01067 28 4XY 0.10893 0.11688 0.24333 0.02834 0.07991 29 4XZ -0.10141 -0.07893 -0.08633 0.00258 -0.14118 30 4YZ 0.01632 -0.05082 0.32332 0.08110 0.12299 31 3 C 1S 0.02230 0.02595 -0.01443 -0.00221 -0.00016 32 2S 0.24269 0.16093 -0.71206 0.00290 -0.31262 33 2PX 0.03024 -0.00231 0.05457 0.04535 -0.01674 34 2PY -0.04141 0.00827 0.15628 0.01490 0.08938 35 2PZ -0.06703 -0.13082 0.08263 0.04349 -0.02947 36 3S -0.70943 -0.77050 1.44885 -0.11350 0.58145 37 3PX -0.14782 -0.12425 -0.01447 -0.00479 -0.12302 38 3PY -0.17860 0.01843 -0.63523 0.17837 -0.64184 39 3PZ 0.23346 0.47821 -0.12686 -0.17870 0.01686 40 4XX -0.02418 -0.15918 0.02136 -0.03446 0.00175 41 4YY -0.19616 -0.07381 -0.15622 0.05899 -0.07029 42 4ZZ 0.19989 0.23585 0.14204 -0.05446 0.11679 43 4XY -0.03895 0.02467 0.10303 -0.07687 -0.00344 44 4XZ 0.01650 0.02120 0.03525 0.07354 -0.00936 45 4YZ -0.14596 -0.26616 0.05087 0.06667 0.00895 46 4 C 1S 0.01808 0.02107 0.01875 -0.00579 0.00656 47 2S -0.03418 -0.17860 0.10120 -0.02131 -0.13109 48 2PX 0.02008 0.00593 0.00916 -0.03796 0.01767 49 2PY -0.03378 -0.02584 -0.06334 0.02080 -0.02105 50 2PZ 0.08579 0.14553 0.05701 -0.00170 0.07405 51 3S -0.33493 -0.09386 -0.61336 0.16367 -0.07778 52 3PX 0.13313 0.39253 0.03463 -0.06052 0.12365 53 3PY 0.28680 0.07744 0.01318 -0.01468 0.08599 54 3PZ -0.17643 -0.39890 0.17283 -0.07513 0.00365 55 4XX 0.01359 -0.06798 -0.03374 0.02154 -0.05661 56 4YY -0.04949 -0.06914 -0.00802 -0.03812 0.05105 57 4ZZ 0.04400 0.16864 0.06976 0.01608 0.03161 58 4XY -0.18351 -0.21497 -0.05195 -0.10339 0.03723 59 4XZ 0.09318 0.20591 0.01152 -0.03188 0.00577 60 4YZ -0.08439 0.00970 -0.10402 0.04267 -0.13144 61 5 C 1S -0.01808 -0.02107 0.01875 -0.00579 0.00656 62 2S 0.03418 0.17861 0.10119 -0.02130 -0.13109 63 2PX -0.02009 -0.00593 0.00916 -0.03796 0.01767 64 2PY -0.03376 -0.02581 0.06334 -0.02080 0.02104 65 2PZ -0.08579 -0.14554 0.05702 -0.00171 0.07405 66 3S 0.33495 0.09384 -0.61337 0.16367 -0.07778 67 3PX -0.13311 -0.39253 0.03464 -0.06053 0.12366 68 3PY 0.28675 0.07738 -0.01321 0.01469 -0.08599 69 3PZ 0.17647 0.39892 0.17281 -0.07512 0.00363 70 4XX -0.01359 0.06797 -0.03374 0.02154 -0.05661 71 4YY 0.04950 0.06914 -0.00806 -0.03811 0.05101 72 4ZZ -0.04401 -0.16863 0.06979 0.01607 0.03165 73 4XY -0.18350 -0.21494 0.05196 0.10339 -0.03723 74 4XZ -0.09321 -0.20594 0.01154 -0.03186 0.00577 75 4YZ -0.08437 0.00975 0.10401 -0.04268 0.13144 76 6 C 1S -0.02230 -0.02595 -0.01443 -0.00221 -0.00016 77 2S -0.24271 -0.16095 -0.71206 0.00290 -0.31262 78 2PX -0.03023 0.00231 0.05456 0.04535 -0.01674 79 2PY -0.04143 0.00824 -0.15630 -0.01491 -0.08937 80 2PZ 0.06703 0.13082 0.08259 0.04349 -0.02948 81 3S 0.70943 0.77051 1.44882 -0.11350 0.58145 82 3PX 0.14779 0.12424 -0.01447 -0.00478 -0.12302 83 3PY -0.17854 0.01852 0.63526 -0.17835 0.64185 84 3PZ -0.23350 -0.47820 -0.12673 -0.17874 0.01697 85 4XX 0.02417 0.15918 0.02136 -0.03446 0.00174 86 4YY 0.19621 0.07388 -0.15621 0.05901 -0.07029 87 4ZZ -0.19993 -0.23592 0.14203 -0.05448 0.11679 88 4XY -0.03896 0.02467 -0.10303 0.07686 0.00344 89 4XZ -0.01649 -0.02119 0.03523 0.07356 -0.00936 90 4YZ -0.14589 -0.26610 -0.05091 -0.06665 -0.00899 91 7 H 1S -0.09563 -0.05853 0.30284 0.06129 0.12977 92 2S 0.06149 0.04411 -0.07929 0.02733 -0.10686 93 8 H 1S 0.09565 0.05854 0.30284 0.06129 0.12977 94 2S -0.06149 -0.04411 -0.07929 0.02732 -0.10686 95 9 H 1S 0.26678 0.11509 0.07302 -0.05702 0.14408 96 2S 0.08904 0.06309 0.06739 -0.07640 0.16289 97 10 H 1S 0.00115 -0.01226 0.10613 0.03098 0.01853 98 2S 0.01108 -0.11441 0.02927 0.04752 -0.10342 99 11 H 1S -0.00115 0.01226 0.10613 0.03098 0.01853 100 2S -0.01109 0.11442 0.02927 0.04752 -0.10343 101 12 H 1S -0.26678 -0.11509 0.07303 -0.05702 0.14409 102 2S -0.08903 -0.06309 0.06740 -0.07640 0.16290 103 13 H 1S -0.08645 -0.16875 0.05733 -0.08965 0.07405 104 2S -0.02175 -0.12241 0.03645 0.02515 0.02165 105 14 H 1S 0.08645 0.16876 0.05733 -0.08965 0.07405 106 2S 0.02176 0.12241 0.03644 0.02515 0.02164 107 15 C 1S 0.01320 0.01668 0.00849 0.00491 0.00219 108 2S 0.43666 0.27311 -0.04405 0.16488 0.30805 109 2PX -0.00903 -0.12700 -0.12061 -0.04872 -0.03440 110 2PY 0.04932 -0.03932 -0.09402 0.20069 0.19561 111 2PZ 0.08659 -0.02032 -0.04853 0.05659 -0.01688 112 3S -1.15801 -1.15821 -0.52508 -0.20962 -0.08173 113 3PX 0.05030 0.25883 0.27728 0.15641 0.01626 114 3PY -0.20578 0.00754 0.39398 -0.09591 -0.43793 115 3PZ -0.30747 -0.17049 0.07132 0.09124 -0.23710 116 4XX -0.08868 -0.08124 -0.09518 0.33025 0.02764 117 4YY 0.07853 -0.05437 0.18180 -0.35608 -0.29925 118 4ZZ 0.00885 0.07442 -0.14909 0.05709 0.28468 119 4XY -0.12893 -0.00565 -0.07235 -0.12479 0.02145 120 4XZ -0.08488 0.09625 0.23356 0.06520 0.17924 121 4YZ 0.01991 0.02356 -0.11062 -0.25487 0.18334 122 16 C 1S -0.01320 -0.01668 0.00849 0.00491 0.00219 123 2S -0.43665 -0.27311 -0.04403 0.16488 0.30805 124 2PX 0.00904 0.12700 -0.12061 -0.04872 -0.03440 125 2PY 0.04934 -0.03932 0.09403 -0.20070 -0.19560 126 2PZ -0.08657 0.02031 -0.04851 0.05656 -0.01691 127 3S 1.15803 1.15822 -0.52512 -0.20963 -0.08172 128 3PX -0.05032 -0.25883 0.27729 0.15640 0.01627 129 3PY -0.20581 0.00751 -0.39400 0.09590 0.43796 130 3PZ 0.30741 0.17049 0.07126 0.09125 -0.23702 131 4XX 0.08867 0.08124 -0.09518 0.33025 0.02764 132 4YY -0.07852 0.05437 0.18177 -0.35616 -0.29919 133 4ZZ -0.00885 -0.07442 -0.14906 0.05716 0.28462 134 4XY -0.12895 -0.00563 0.07231 0.12478 -0.02148 135 4XZ 0.08484 -0.09626 0.23356 0.06522 0.17924 136 4YZ 0.01988 0.02359 0.11068 0.25479 -0.18345 137 17 C 1S 0.00000 0.00000 0.03154 -0.02235 -0.03146 138 2S 0.00000 0.00000 0.08919 0.02833 -0.02696 139 2PX 0.00000 0.00000 0.09463 -0.04566 -0.12538 140 2PY 0.29485 -0.17770 0.00000 0.00001 0.00000 141 2PZ 0.00002 -0.00001 0.03846 -0.15601 -0.01710 142 3S 0.00001 -0.00001 -0.97378 0.82066 0.86564 143 3PX 0.00001 0.00000 0.03278 0.54387 -0.39835 144 3PY -0.16776 0.13942 -0.00001 0.00004 -0.00004 145 3PZ -0.00003 0.00002 0.15116 -0.47335 0.46219 146 4XX 0.00001 0.00000 -0.04339 0.31216 -0.24932 147 4YY -0.00007 0.00004 0.15800 -0.06864 -0.06590 148 4ZZ 0.00006 -0.00004 -0.12886 -0.19921 0.34013 149 4XY 0.39407 -0.32188 -0.00001 0.00001 0.00003 150 4XZ 0.00003 -0.00003 0.10998 -0.11673 -0.35838 151 4YZ 0.41357 -0.29998 0.00003 0.00001 -0.00004 152 18 H 1S -0.09543 -0.07603 0.16448 0.28137 -0.27933 153 2S 0.05022 -0.07047 0.21022 -0.03578 -0.09316 154 19 H 1S 0.00000 0.00000 0.21904 0.19763 -0.60096 155 2S 0.00000 0.00000 0.00904 0.03175 -0.13657 156 20 H 1S 0.09541 0.07603 0.16447 0.28138 -0.27933 157 2S -0.05024 0.07047 0.21021 -0.03578 -0.09316 158 21 O 1S 0.00905 -0.01996 -0.00315 0.02233 0.00280 159 2S -0.28694 -0.06969 -0.39936 0.05197 0.17506 160 2PX -0.11841 0.16846 0.06284 0.24745 0.05469 161 2PY -0.16588 0.14771 -0.06931 0.00236 0.03518 162 2PZ -0.14198 0.09007 0.01789 0.08272 0.12263 163 3S 0.50313 0.48082 0.83424 -0.45857 -0.38147 164 3PX 0.01734 -0.37154 -0.07072 -0.42622 -0.07596 165 3PY 0.19427 -0.08755 0.17941 -0.20342 -0.08807 166 3PZ 0.14296 -0.15417 0.01047 -0.01466 -0.29302 167 4XX -0.05320 0.08541 0.01655 -0.09480 0.10441 168 4YY -0.00482 -0.19263 -0.13281 -0.01322 0.09069 169 4ZZ -0.03988 0.03374 -0.04855 0.18361 -0.14726 170 4XY 0.19200 -0.03901 0.06284 -0.26874 0.02667 171 4XZ 0.04015 -0.11373 0.08629 0.02810 -0.01746 172 4YZ 0.14800 -0.09429 0.06432 0.06511 -0.22753 173 22 O 1S -0.00905 0.01996 -0.00315 0.02233 0.00280 174 2S 0.28696 0.06969 -0.39936 0.05197 0.17506 175 2PX 0.11841 -0.16846 0.06284 0.24745 0.05469 176 2PY -0.16591 0.14772 0.06930 -0.00237 -0.03520 177 2PZ 0.14194 -0.09004 0.01791 0.08272 0.12262 178 3S -0.50314 -0.48082 0.83425 -0.45856 -0.38148 179 3PX -0.01734 0.37154 -0.07072 -0.42622 -0.07596 180 3PY 0.19430 -0.08758 -0.17941 0.20342 0.08812 181 3PZ -0.14290 0.15415 0.01043 -0.01462 -0.29300 182 4XX 0.05320 -0.08540 0.01655 -0.09480 0.10441 183 4YY 0.00478 0.19266 -0.13279 -0.01320 0.09062 184 4ZZ 0.03993 -0.03377 -0.04857 0.18359 -0.14719 185 4XY 0.19201 -0.03903 -0.06286 0.26874 -0.02666 186 4XZ -0.04013 0.11372 0.08628 0.02815 -0.01746 187 4YZ 0.14799 -0.09425 -0.06434 -0.06515 0.22758 188 23 H 1S -0.00001 0.00000 0.16955 -0.50492 0.10694 189 2S -0.00001 0.00000 0.13287 -0.24566 0.04505 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12023 2.14082 2.16018 2.23013 1 1 C 1S -0.02419 0.00766 0.00694 0.00305 -0.00496 2 2S -0.50742 0.37216 -0.10815 0.03795 0.03590 3 2PX -0.05221 0.14155 -0.00790 0.00349 -0.00815 4 2PY -0.16456 0.05262 -0.06211 0.02746 0.07309 5 2PZ -0.06288 0.11548 -0.02159 0.00765 -0.03321 6 3S 0.61327 -0.94823 -0.34991 -0.08708 -0.28720 7 3PX 0.36101 -0.37276 -0.04508 -0.05101 0.09296 8 3PY 0.22661 -0.32683 0.19177 -0.08947 -0.22227 9 3PZ 0.36928 -0.32234 -0.14564 0.00207 -0.13501 10 4XX -0.07833 0.04204 0.05232 -0.01360 0.09959 11 4YY 0.24077 0.11406 0.18201 -0.03691 0.03302 12 4ZZ -0.22866 -0.11388 -0.25461 0.06722 -0.18381 13 4XY -0.17201 0.08370 -0.04909 -0.05173 0.09620 14 4XZ 0.21381 -0.18804 -0.15467 0.01424 0.06082 15 4YZ -0.07713 -0.08034 0.00160 -0.06115 -0.18871 16 2 C 1S -0.02419 -0.00766 0.00694 0.00305 0.00496 17 2S -0.50743 -0.37216 -0.10815 0.03795 -0.03589 18 2PX -0.05221 -0.14155 -0.00790 0.00349 0.00815 19 2PY 0.16457 0.05264 0.06211 -0.02747 0.07308 20 2PZ -0.06285 -0.11548 -0.02158 0.00765 0.03322 21 3S 0.61331 0.94824 -0.34988 -0.08707 0.28720 22 3PX 0.36102 0.37276 -0.04507 -0.05100 -0.09296 23 3PY -0.22669 -0.32688 -0.19175 0.08947 -0.22229 24 3PZ 0.36926 0.32229 -0.14566 0.00209 0.13497 25 4XX -0.07833 -0.04203 0.05232 -0.01360 -0.09959 26 4YY 0.24075 -0.11404 0.18201 -0.03693 -0.03297 27 4ZZ -0.22864 0.11386 -0.25461 0.06724 0.18375 28 4XY 0.17198 0.08367 0.04912 0.05173 0.09621 29 4XZ 0.21384 0.18806 -0.15467 0.01424 -0.06080 30 4YZ 0.07722 -0.08039 -0.00151 0.06113 -0.18876 31 3 C 1S -0.00633 0.00565 -0.00622 0.00599 -0.00036 32 2S -0.02737 0.18578 0.02850 -0.13031 0.16852 33 2PX 0.11305 0.10394 0.02679 -0.00506 -0.01199 34 2PY -0.01547 0.04338 -0.03271 0.07843 -0.03850 35 2PZ 0.21725 0.01087 0.02862 -0.00450 0.02001 36 3S -0.13330 -0.69390 0.20419 -0.00853 -0.26060 37 3PX 0.16402 -0.42050 -0.44397 0.05236 0.04419 38 3PY 0.18452 0.14836 -0.35746 -0.25351 0.29814 39 3PZ -0.09347 0.06936 0.07504 -0.06430 -0.18475 40 4XX 0.19722 -0.22894 0.08155 0.02944 -0.14376 41 4YY -0.02412 0.09731 -0.17603 0.06597 0.14414 42 4ZZ -0.20288 0.06126 0.12669 -0.07184 -0.00862 43 4XY -0.04156 0.27306 0.16211 -0.11539 -0.07005 44 4XZ 0.10177 0.19423 -0.08319 0.06196 -0.02309 45 4YZ 0.09039 0.06870 -0.09293 0.05999 0.00261 46 4 C 1S -0.00783 0.01015 0.01554 -0.01200 -0.00445 47 2S 0.42787 0.26080 -0.19534 -0.04656 -0.11303 48 2PX -0.01440 -0.00896 0.02597 -0.02388 -0.03456 49 2PY -0.12057 -0.03422 0.08260 -0.03317 0.02767 50 2PZ -0.09783 -0.05371 0.09490 0.00015 0.00957 51 3S -0.16624 -0.44308 -0.12613 0.24004 0.51337 52 3PX 0.06199 0.09136 0.57240 -0.00769 0.04668 53 3PY 0.21696 0.15917 -0.09723 0.15056 -0.11296 54 3PZ 0.33244 0.00016 -0.17830 0.01219 -0.03833 55 4XX 0.41126 -0.14024 0.15278 0.01576 0.12126 56 4YY -0.21635 0.07218 0.17034 -0.06569 -0.01471 57 4ZZ -0.24209 0.02997 -0.24558 0.02989 -0.07164 58 4XY 0.00440 0.13829 0.42625 -0.10247 -0.10177 59 4XZ 0.03474 -0.05558 0.17094 -0.01767 -0.12124 60 4YZ 0.15236 -0.13879 -0.07749 -0.04709 0.00663 61 5 C 1S -0.00783 -0.01015 0.01554 -0.01200 0.00445 62 2S 0.42786 -0.26081 -0.19534 -0.04656 0.11303 63 2PX -0.01440 0.00896 0.02597 -0.02388 0.03456 64 2PY 0.12059 -0.03423 -0.08261 0.03317 0.02767 65 2PZ -0.09781 0.05371 0.09489 0.00015 -0.00956 66 3S -0.16624 0.44309 -0.12615 0.24003 -0.51337 67 3PX 0.06198 -0.09136 0.57240 -0.00768 -0.04668 68 3PY -0.21701 0.15917 0.09725 -0.15056 -0.11297 69 3PZ 0.33240 -0.00014 -0.17828 0.01217 0.03831 70 4XX 0.41126 0.14024 0.15278 0.01576 -0.12126 71 4YY -0.21631 -0.07214 0.17032 -0.06570 0.01471 72 4ZZ -0.24213 -0.03001 -0.24556 0.02991 0.07164 73 4XY -0.00440 0.13828 -0.42628 0.10248 -0.10178 74 4XZ 0.03474 0.05561 0.17087 -0.01765 0.12122 75 4YZ -0.15235 -0.13880 0.07757 0.04707 0.00662 76 6 C 1S -0.00633 -0.00565 -0.00622 0.00599 0.00036 77 2S -0.02737 -0.18577 0.02849 -0.13031 -0.16851 78 2PX 0.11304 -0.10394 0.02679 -0.00506 0.01199 79 2PY 0.01543 0.04338 0.03270 -0.07843 -0.03850 80 2PZ 0.21725 -0.01087 0.02862 -0.00451 -0.02002 81 3S -0.13327 0.69387 0.20422 -0.00852 0.26059 82 3PX 0.16403 0.42049 -0.44398 0.05236 -0.04419 83 3PY -0.18449 0.14836 0.35746 0.25352 0.29811 84 3PZ -0.09350 -0.06933 0.07510 -0.06426 0.18480 85 4XX 0.19722 0.22894 0.08155 0.02943 0.14376 86 4YY -0.02410 -0.09733 -0.17606 0.06599 -0.14414 87 4ZZ -0.20291 -0.06123 0.12672 -0.07185 0.00862 88 4XY 0.04155 0.27309 -0.16211 0.11538 -0.07005 89 4XZ 0.10177 -0.19418 -0.08322 0.06198 0.02308 90 4YZ -0.09036 0.06869 0.09287 -0.05996 0.00258 91 7 H 1S 0.09192 0.09760 0.14131 0.02320 0.04706 92 2S 0.12195 -0.14750 -0.03591 -0.01534 -0.05366 93 8 H 1S 0.09192 -0.09760 0.14131 0.02320 -0.04706 94 2S 0.12195 0.14750 -0.03590 -0.01534 0.05366 95 9 H 1S 0.01163 -0.04469 0.16797 0.02306 -0.12664 96 2S -0.10630 0.06173 0.15017 0.08949 -0.03823 97 10 H 1S -0.21129 0.04518 -0.40546 0.05435 -0.05613 98 2S -0.06025 0.05266 0.02611 -0.15342 -0.00851 99 11 H 1S -0.21129 -0.04518 -0.40546 0.05435 0.05613 100 2S -0.06025 -0.05266 0.02611 -0.15342 0.00851 101 12 H 1S 0.01164 0.04469 0.16798 0.02307 0.12664 102 2S -0.10629 -0.06173 0.15017 0.08949 0.03823 103 13 H 1S -0.10240 -0.12158 0.36350 -0.08165 0.12645 104 2S -0.02391 0.01787 0.17093 -0.01683 -0.05209 105 14 H 1S -0.10240 0.12158 0.36350 -0.08165 -0.12645 106 2S -0.02391 -0.01787 0.17093 -0.01683 0.05209 107 15 C 1S 0.00261 0.00050 0.00372 0.02931 0.00925 108 2S 0.02987 0.33174 0.22735 0.49890 0.01137 109 2PX -0.07175 -0.14979 -0.01852 0.01354 -0.02894 110 2PY -0.00540 0.00770 0.11569 0.20712 -0.07007 111 2PZ -0.04594 0.02247 0.03375 0.07227 -0.00201 112 3S -0.18256 -1.23177 -0.07185 -0.52655 -0.67158 113 3PX 0.23760 0.15639 -0.08351 -0.35554 -0.19275 114 3PY 0.15418 -0.12906 -0.30739 -0.47150 -0.42101 115 3PZ 0.20148 -0.63357 -0.20196 -0.40939 -0.26724 116 4XX 0.01389 -0.06105 0.04917 -0.15267 0.09910 117 4YY -0.04356 0.01536 -0.10325 -0.22265 -0.06346 118 4ZZ 0.02233 -0.09787 0.03675 0.42236 -0.03406 119 4XY -0.05158 -0.05830 0.05421 0.03061 -0.19491 120 4XZ 0.02503 0.41783 -0.01227 -0.16803 -0.07736 121 4YZ -0.04530 0.00709 0.01935 0.00805 0.34120 122 16 C 1S 0.00261 -0.00050 0.00372 0.02931 -0.00925 123 2S 0.02986 -0.33174 0.22735 0.49890 -0.01137 124 2PX -0.07174 0.14979 -0.01852 0.01354 0.02894 125 2PY 0.00541 0.00770 -0.11570 -0.20713 -0.07006 126 2PZ -0.04594 -0.02247 0.03373 0.07223 0.00199 127 3S -0.18253 1.23179 -0.07183 -0.52655 0.67158 128 3PX 0.23760 -0.15639 -0.08351 -0.35554 0.19275 129 3PY -0.15422 -0.12916 0.30741 0.47157 -0.42105 130 3PZ 0.20147 0.63355 -0.20190 -0.40932 0.26717 131 4XX 0.01389 0.06106 0.04917 -0.15267 -0.09910 132 4YY -0.04357 -0.01536 -0.10324 -0.22265 0.06336 133 4ZZ 0.02234 0.09787 0.03675 0.42235 0.03415 134 4XY 0.05157 -0.05823 -0.05420 -0.03058 -0.19492 135 4XZ 0.02504 -0.41784 -0.01228 -0.16803 0.07732 136 4YZ 0.04528 0.00707 -0.01938 -0.00817 0.34121 137 17 C 1S 0.00180 0.00000 -0.00353 -0.02379 0.00000 138 2S -0.06291 0.00000 0.11864 -0.54527 0.00000 139 2PX 0.01951 0.00000 -0.08053 0.08814 0.00000 140 2PY 0.00000 0.09743 0.00000 -0.00001 0.02690 141 2PZ 0.00598 0.00001 -0.03115 0.05961 0.00000 142 3S 0.19900 0.00000 -0.19468 0.89132 0.00000 143 3PX -0.36939 0.00001 0.56805 -0.79474 0.00000 144 3PY -0.00002 -0.07223 0.00003 0.00004 0.03458 145 3PZ 0.29285 -0.00001 -0.40706 -0.46843 0.00000 146 4XX -0.07066 0.00000 0.01215 -0.37023 0.00000 147 4YY 0.05355 -0.00002 0.04686 0.32818 -0.00006 148 4ZZ 0.04978 0.00002 -0.10218 0.04619 0.00006 149 4XY 0.00001 0.05180 -0.00002 -0.00005 -0.49487 150 4XZ -0.07278 0.00001 0.18020 0.59061 -0.00004 151 4YZ 0.00000 0.11397 0.00001 0.00003 0.43026 152 18 H 1S 0.09716 0.04064 -0.07802 -0.13448 0.14451 153 2S 0.15449 0.04301 -0.09119 -0.18503 0.08745 154 19 H 1S -0.18803 0.00000 0.31885 0.05092 0.00000 155 2S -0.11899 0.00000 0.06770 0.04131 0.00000 156 20 H 1S 0.09716 -0.04064 -0.07802 -0.13448 -0.14450 157 2S 0.15449 -0.04301 -0.09119 -0.18503 -0.08745 158 21 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00637 159 2S 0.02726 -0.40728 -0.09765 -0.16425 -0.09727 160 2PX 0.02098 0.12335 0.01850 -0.10026 0.04297 161 2PY 0.00427 -0.11675 -0.03762 -0.13013 -0.01733 162 2PZ 0.04386 0.05928 -0.05923 -0.07368 -0.06358 163 3S -0.25989 0.82599 0.30544 0.11057 0.36321 164 3PX 0.03710 -0.33796 -0.15691 -0.05100 -0.24579 165 3PY -0.11361 0.20460 0.14645 0.09936 0.13451 166 3PZ -0.12577 -0.09402 0.17303 -0.12517 0.17421 167 4XX 0.13470 -0.00351 -0.09131 -0.21679 -0.11197 168 4YY 0.02524 -0.08760 -0.06111 0.01738 -0.00477 169 4ZZ -0.12160 -0.04412 0.11965 0.19797 0.08562 170 4XY 0.09786 0.02209 -0.15995 0.00520 -0.29772 171 4XZ 0.04817 0.06931 -0.03875 0.05675 -0.05774 172 4YZ -0.09330 0.01359 0.10205 0.01134 0.24720 173 22 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 174 2S 0.02727 0.40728 -0.09765 -0.16425 0.09727 175 2PX 0.02098 -0.12335 0.01850 -0.10026 -0.04297 176 2PY -0.00428 -0.11674 0.03763 0.13014 -0.01734 177 2PZ 0.04385 -0.05931 -0.05922 -0.07365 0.06358 178 3S -0.25990 -0.82599 0.30544 0.11056 -0.36322 179 3PX 0.03711 0.33796 -0.15691 -0.05100 0.24579 180 3PY 0.11363 0.20458 -0.14647 -0.09933 0.13454 181 3PZ -0.12575 0.09406 0.17301 -0.12519 -0.17419 182 4XX 0.13470 0.00350 -0.09131 -0.21679 0.11196 183 4YY 0.02522 0.08760 -0.06108 0.01738 0.00470 184 4ZZ -0.12157 0.04413 0.11962 0.19797 -0.08555 185 4XY -0.09786 0.02210 0.15996 -0.00521 -0.29772 186 4XZ 0.04815 -0.06930 -0.03872 0.05675 0.05769 187 4YZ 0.09333 0.01360 -0.10209 -0.01137 0.24722 188 23 H 1S 0.11011 0.00000 -0.08746 0.37363 0.00000 189 2S 0.14949 0.00000 -0.26591 0.05210 0.00000 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26202 2.27992 2.29193 2.30960 1 1 C 1S 0.00533 -0.02239 0.00026 0.01258 -0.02773 2 2S 0.29613 -0.28954 -0.03804 0.16980 -0.54331 3 2PX 0.06238 0.02092 -0.01860 -0.03332 -0.11271 4 2PY 0.06912 0.02390 -0.03764 -0.04657 0.05123 5 2PZ 0.07945 -0.02842 0.01440 0.04469 -0.11645 6 3S -0.32325 3.02108 -0.05369 -1.28827 2.45111 7 3PX -0.23259 0.87991 -0.07259 -0.80659 1.07161 8 3PY -0.03557 1.01089 0.01019 -0.62309 0.85848 9 3PZ -0.03716 1.37676 -0.03868 -0.43868 0.91844 10 4XX -0.14067 -0.20806 -0.13595 -0.32770 0.16271 11 4YY -0.15657 0.06696 0.10493 -0.06426 -0.03671 12 4ZZ 0.28943 0.20346 0.00993 0.34039 -0.12973 13 4XY 0.02784 0.01992 0.03289 -0.34214 0.02194 14 4XZ -0.10422 0.02017 -0.02593 -0.00214 0.17963 15 4YZ -0.08144 -0.06064 -0.05744 0.30632 -0.22911 16 2 C 1S 0.00533 0.02239 0.00026 -0.01258 0.02773 17 2S 0.29616 0.28951 -0.03803 -0.16980 0.54329 18 2PX 0.06238 -0.02093 -0.01860 0.03332 0.11270 19 2PY -0.06913 0.02390 0.03764 -0.04656 0.05123 20 2PZ 0.07944 0.02841 0.01441 -0.04470 0.11646 21 3S -0.32348 -3.02106 -0.05373 1.28827 -2.45107 22 3PX -0.23266 -0.87989 -0.07262 0.80659 -1.07159 23 3PY 0.03565 1.01112 -0.01017 -0.62317 0.85863 24 3PZ -0.03726 -1.37659 -0.03869 0.43857 -0.91828 25 4XX -0.14065 0.20806 -0.13596 0.32769 -0.16275 26 4YY -0.15660 -0.06693 0.10491 0.06418 0.03679 27 4ZZ 0.28943 -0.20350 0.00996 -0.34030 0.12968 28 4XY -0.02783 0.01992 -0.03287 -0.34214 0.02196 29 4XZ -0.10423 -0.02016 -0.02594 0.00209 -0.17962 30 4YZ 0.08135 -0.06061 0.05745 0.30640 -0.22911 31 3 C 1S -0.00560 -0.03001 -0.00758 0.00579 -0.01776 32 2S -0.15856 -0.63355 -0.02569 0.14941 -0.21060 33 2PX -0.02934 -0.06888 0.00080 0.06012 -0.14273 34 2PY 0.01444 0.11309 -0.00626 0.00794 -0.01613 35 2PZ -0.04413 -0.04556 -0.00845 0.01416 -0.14962 36 3S 0.43818 2.75584 0.11673 -1.10512 1.60980 37 3PX 0.19210 -0.53714 0.00388 -0.18807 0.05142 38 3PY 0.15376 -1.82992 -0.18154 0.50772 -0.87223 39 3PZ -0.23939 0.43069 -0.01551 0.01506 0.25085 40 4XX -0.18969 0.06232 -0.12260 0.13262 -0.09678 41 4YY 0.33463 -0.21222 -0.07661 -0.03791 0.09350 42 4ZZ -0.11980 0.24617 0.19520 -0.14483 0.08894 43 4XY -0.27581 0.29435 0.03575 0.05679 -0.13913 44 4XZ 0.10741 -0.20834 -0.09796 0.04913 -0.20225 45 4YZ 0.11974 -0.14950 0.08355 -0.22454 -0.12031 46 4 C 1S -0.00902 0.04518 -0.00308 -0.00478 -0.00360 47 2S -0.01602 0.23769 -0.13679 -0.32483 -0.38956 48 2PX 0.04409 0.02990 -0.02810 -0.03937 -0.02855 49 2PY 0.02304 0.00244 -0.01279 0.05411 0.02504 50 2PZ -0.00964 0.12405 0.05871 0.04417 0.13813 51 3S 0.07793 -2.46506 0.15427 0.95037 0.09736 52 3PX -0.00321 0.42901 0.12915 0.40361 0.46772 53 3PY -0.03182 0.59299 0.02650 -0.00679 -0.10964 54 3PZ -0.13610 0.41327 -0.03977 -0.34845 0.10730 55 4XX 0.18299 -0.12502 -0.03177 0.22142 0.14613 56 4YY -0.02471 -0.09674 -0.04748 -0.13084 -0.09704 57 4ZZ -0.18516 0.22749 0.11087 -0.00522 0.02675 58 4XY 0.12619 0.41834 0.00506 -0.10462 0.03533 59 4XZ 0.45763 -0.18556 -0.21443 0.01849 -0.21787 60 4YZ -0.10122 -0.11238 0.04529 -0.03140 -0.12404 61 5 C 1S -0.00902 -0.04518 -0.00308 0.00478 0.00360 62 2S -0.01603 -0.23768 -0.13679 0.32482 0.38958 63 2PX 0.04409 -0.02990 -0.02810 0.03936 0.02855 64 2PY -0.02304 0.00246 0.01278 0.05412 0.02507 65 2PZ -0.00965 -0.12405 0.05871 -0.04416 -0.13813 66 3S 0.07811 2.46505 0.15429 -0.95037 -0.09736 67 3PX -0.00325 -0.42901 0.12916 -0.40360 -0.46772 68 3PY 0.03188 0.59306 -0.02649 -0.00685 -0.10962 69 3PZ -0.13613 -0.41316 -0.03978 0.34845 -0.10732 70 4XX 0.18300 0.12501 -0.03176 -0.22142 -0.14613 71 4YY -0.02473 0.09677 -0.04747 0.13084 0.09705 72 4ZZ -0.18514 -0.22751 0.11086 0.00521 -0.02677 73 4XY -0.12624 0.41832 -0.00502 -0.10462 0.03529 74 4XZ 0.45762 0.18560 -0.21443 -0.01851 0.21787 75 4YZ 0.10125 -0.11233 -0.04533 -0.03138 -0.12402 76 6 C 1S -0.00560 0.03001 -0.00758 -0.00579 0.01776 77 2S -0.15851 0.63356 -0.02569 -0.14941 0.21061 78 2PX -0.02933 0.06889 0.00081 -0.06012 0.14273 79 2PY -0.01443 0.11308 0.00626 0.00794 -0.01615 80 2PZ -0.04412 0.04559 -0.00845 -0.01416 0.14962 81 3S 0.43796 -2.75586 0.11670 1.10512 -1.60984 82 3PX 0.19214 0.53712 0.00387 0.18807 -0.05141 83 3PY -0.15386 -1.82983 0.18153 0.50773 -0.87221 84 3PZ -0.23945 -0.43098 -0.01547 -0.01497 -0.25100 85 4XX -0.18970 -0.06231 -0.12260 -0.13262 0.09675 86 4YY 0.33467 0.21224 -0.07658 0.03797 -0.09346 87 4ZZ -0.11986 -0.24620 0.19517 0.14477 -0.08894 88 4XY 0.27581 0.29429 -0.03574 0.05679 -0.13916 89 4XZ 0.10747 0.20838 -0.09796 -0.04913 0.20221 90 4YZ -0.11966 -0.14940 -0.08360 -0.22456 -0.12033 91 7 H 1S 0.03566 0.08597 0.01520 -0.16543 0.11656 92 2S -0.05433 0.44754 -0.03305 -0.25736 0.33530 93 8 H 1S 0.03565 -0.08597 0.01520 0.16543 -0.11656 94 2S -0.05436 -0.44754 -0.03306 0.25736 -0.33530 95 9 H 1S -0.24480 0.21673 0.06734 -0.00605 -0.01333 96 2S -0.10031 0.41336 0.06028 -0.08671 0.18091 97 10 H 1S -0.26137 0.06708 0.05951 -0.20437 -0.07132 98 2S 0.12499 -0.01812 -0.17049 -0.13591 -0.21278 99 11 H 1S -0.26137 -0.06707 0.05951 0.20438 0.07132 100 2S 0.12499 0.01811 -0.17049 0.13591 0.21279 101 12 H 1S -0.24482 -0.21671 0.06734 0.00605 0.01333 102 2S -0.10034 -0.41335 0.06027 0.08672 -0.18092 103 13 H 1S 0.26824 -0.19082 -0.11760 0.03167 0.08328 104 2S -0.02703 -0.06613 0.08278 -0.08558 -0.11631 105 14 H 1S 0.26826 0.19081 -0.11760 -0.03167 -0.08328 106 2S -0.02702 0.06613 0.08278 0.08558 0.11632 107 15 C 1S 0.00916 -0.00588 0.01448 -0.00442 -0.03591 108 2S 0.06240 -0.06756 0.41270 -0.33358 -0.81763 109 2PX 0.03246 0.02025 0.01620 -0.05094 -0.11567 110 2PY -0.01083 -0.02200 0.15948 0.00252 0.05855 111 2PZ 0.00215 0.04068 0.03540 -0.10903 -0.22813 112 3S -0.24774 0.58269 -0.42816 0.88925 3.33683 113 3PX -0.02454 -0.12272 -0.08102 0.32950 0.96834 114 3PY 0.10562 0.24429 -0.23379 0.65766 1.54161 115 3PZ -0.16566 0.03492 -0.40235 0.38022 1.83980 116 4XX 0.08582 0.02581 0.33007 0.17216 0.14939 117 4YY 0.02632 -0.01459 -0.20868 -0.01938 0.02538 118 4ZZ -0.10174 0.01312 -0.14995 -0.10858 -0.07803 119 4XY -0.03435 -0.03348 -0.04762 -0.01941 0.00139 120 4XZ 0.00419 -0.14629 -0.16194 0.20590 0.20433 121 4YZ 0.08959 0.07226 0.14668 0.02107 -0.06622 122 16 C 1S 0.00916 0.00588 0.01448 0.00442 0.03591 123 2S 0.06242 0.06755 0.41270 0.33359 0.81762 124 2PX 0.03246 -0.02025 0.01620 0.05094 0.11567 125 2PY 0.01083 -0.02199 -0.15949 0.00250 0.05852 126 2PZ 0.00216 -0.04068 0.03538 0.10903 0.22814 127 3S -0.24781 -0.58267 -0.42815 -0.88926 -3.33682 128 3PX -0.02454 0.12273 -0.08101 -0.32950 -0.96833 129 3PY -0.10556 0.24431 0.23384 0.65773 1.54192 130 3PZ -0.16570 -0.03487 -0.40230 -0.38011 -1.83953 131 4XX 0.08582 -0.02582 0.33007 -0.17216 -0.14940 132 4YY 0.02635 0.01457 -0.20864 0.01937 -0.02536 133 4ZZ -0.10177 -0.01309 -0.15000 0.10858 0.07802 134 4XY 0.03435 -0.03351 0.04765 -0.01937 0.00143 135 4XZ 0.00420 0.14628 -0.16193 -0.20590 -0.20433 136 4YZ -0.08956 0.07228 -0.14669 0.02105 -0.06623 137 17 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00000 138 2S -0.02632 0.00000 -0.22521 0.00000 0.00001 139 2PX -0.01466 0.00000 -0.00264 0.00000 0.00000 140 2PY 0.00000 -0.02985 0.00000 0.02849 -0.00330 141 2PZ -0.00714 0.00000 -0.00542 0.00000 0.00000 142 3S 0.14800 -0.00001 0.59236 0.00000 -0.00001 143 3PX -0.09920 0.00001 -0.38694 0.00000 0.00001 144 3PY 0.00000 0.00449 0.00002 -0.05830 -0.00058 145 3PZ 0.03681 0.00000 -0.23914 -0.00001 0.00000 146 4XX 0.05824 0.00000 0.22068 0.00000 -0.00001 147 4YY 0.02477 -0.00002 0.17278 -0.00003 0.00001 148 4ZZ -0.08571 0.00002 -0.39343 0.00003 -0.00001 149 4XY -0.00001 -0.12321 -0.00003 -0.11997 0.18073 150 4XZ 0.07827 -0.00001 0.33392 -0.00001 0.00001 151 4YZ 0.00002 0.11212 0.00005 0.20538 -0.11531 152 18 H 1S -0.00905 0.01742 -0.00115 -0.06409 -0.22743 153 2S -0.01737 0.05155 -0.15348 -0.23209 -0.60874 154 19 H 1S 0.04243 0.00000 0.21636 0.00000 0.00000 155 2S -0.10817 0.00000 -0.07886 0.00000 0.00000 156 20 H 1S -0.00905 -0.01742 -0.00115 0.06409 0.22743 157 2S -0.01737 -0.05155 -0.15349 0.23208 0.60874 158 21 O 1S -0.00069 -0.00381 0.01180 0.01388 0.02468 159 2S -0.02152 0.11116 -0.11461 -0.16125 0.08553 160 2PX -0.01405 -0.03723 0.00228 0.11132 0.07190 161 2PY -0.00733 0.03272 -0.05182 -0.05846 -0.06707 162 2PZ 0.00968 -0.02404 -0.05036 0.03615 0.09269 163 3S 0.11261 -0.14899 0.07818 -0.08925 -1.26690 164 3PX -0.04673 0.03961 -0.20899 -0.15648 0.32705 165 3PY -0.01690 -0.08063 -0.02034 -0.01648 -0.15842 166 3PZ -0.04914 0.03900 0.01839 0.01343 -0.02201 167 4XX 0.15548 -0.05814 0.44491 0.03005 0.07603 168 4YY -0.03044 0.00525 -0.04910 -0.04236 0.07283 169 4ZZ -0.13741 0.06477 -0.35879 0.02550 -0.06391 170 4XY 0.02971 -0.06701 0.10016 -0.11040 0.04031 171 4XZ -0.03537 -0.02314 -0.13967 0.11892 0.32516 172 4YZ 0.01279 0.07514 -0.01326 0.13108 -0.08735 173 22 O 1S -0.00069 0.00381 0.01180 -0.01388 -0.02468 174 2S -0.02153 -0.11116 -0.11462 0.16125 -0.08553 175 2PX -0.01405 0.03724 0.00228 -0.11132 -0.07190 176 2PY 0.00733 0.03271 0.05183 -0.05845 -0.06706 177 2PZ 0.00968 0.02405 -0.05035 -0.03616 -0.09270 178 3S 0.11263 0.14898 0.07818 0.08925 1.26688 179 3PX -0.04674 -0.03961 -0.20899 0.15647 -0.32704 180 3PY 0.01690 -0.08063 0.02034 -0.01648 -0.15842 181 3PZ -0.04914 -0.03901 0.01839 -0.01343 0.02198 182 4XX 0.15549 0.05812 0.44491 -0.03004 -0.07605 183 4YY -0.03043 -0.00527 -0.04911 0.04232 -0.07280 184 4ZZ -0.13742 -0.06473 -0.35879 -0.02547 0.06391 185 4XY -0.02971 -0.06701 -0.10014 -0.11038 0.04038 186 4XZ -0.03538 0.02313 -0.13969 -0.11894 -0.32515 187 4YZ -0.01276 0.07515 0.01332 0.13109 -0.08738 188 23 H 1S 0.00469 0.00000 -0.01860 0.00000 0.00000 189 2S 0.02713 0.00000 0.07717 0.00000 0.00000 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37116 2.40151 2.43435 2.44808 1 1 C 1S 0.01657 0.00557 0.00278 -0.03284 0.01158 2 2S 0.20370 0.04834 0.02191 -0.20620 0.07411 3 2PX 0.04269 -0.07423 0.03288 -0.12596 0.00408 4 2PY 0.14729 0.04619 -0.07463 0.16088 -0.02589 5 2PZ -0.05278 -0.04209 0.00968 -0.08317 0.00889 6 3S -0.48672 -1.15320 -0.53305 -0.60530 -0.43376 7 3PX -0.10924 -0.29310 -0.32161 -0.39627 -0.15599 8 3PY -0.08628 -0.70937 -0.16966 0.16601 0.10218 9 3PZ -0.24521 -0.28090 -0.36034 -0.42453 -0.10977 10 4XX 0.43968 -0.02166 -0.22373 -0.14438 -0.07995 11 4YY -0.22125 -0.03268 -0.03907 0.25340 0.08810 12 4ZZ -0.16256 -0.01991 0.27726 -0.13172 -0.01206 13 4XY -0.06898 -0.17704 0.44802 -0.15916 -0.02551 14 4XZ -0.12287 0.08337 0.11313 0.29237 -0.14903 15 4YZ 0.15350 -0.04238 -0.19936 0.12972 -0.07023 16 2 C 1S 0.01657 -0.00557 -0.00278 0.03284 0.01158 17 2S 0.20374 -0.04834 -0.02191 0.20619 0.07411 18 2PX 0.04270 0.07423 -0.03288 0.12597 0.00408 19 2PY -0.14728 0.04618 -0.07463 0.16087 0.02589 20 2PZ -0.05280 0.04210 -0.00969 0.08320 0.00890 21 3S -0.48694 1.15321 0.53306 0.60536 -0.43376 22 3PX -0.10933 0.29310 0.32161 0.39629 -0.15598 23 3PY 0.08640 -0.70942 -0.16972 0.16595 -0.10216 24 3PZ -0.24528 0.28079 0.36031 0.42457 -0.10978 25 4XX 0.43967 0.02166 0.22373 0.14439 -0.07995 26 4YY -0.22120 0.03269 0.03913 -0.25344 0.08808 27 4ZZ -0.16260 0.01990 -0.27732 0.13176 -0.01204 28 4XY 0.06900 -0.17703 0.44803 -0.15912 0.02554 29 4XZ -0.12287 -0.08340 -0.11306 -0.29238 -0.14903 30 4YZ -0.15353 -0.04238 -0.19930 0.12964 0.07025 31 3 C 1S -0.01283 0.00980 -0.01345 0.05963 -0.02215 32 2S -0.11706 0.49843 0.39346 1.20357 -0.07144 33 2PX -0.04367 0.06014 0.08593 -0.02547 0.00559 34 2PY 0.03141 -0.14166 -0.11427 -0.20230 -0.03012 35 2PZ -0.01822 0.05723 0.20367 -0.13368 0.04876 36 3S 0.57088 -0.59665 -0.55186 -3.64552 0.75240 37 3PX -0.12461 -0.09682 -0.11131 -0.00994 -0.11020 38 3PY -0.33329 0.76940 0.42853 1.91288 -0.19432 39 3PZ 0.10543 0.00662 0.15131 -0.47499 0.09153 40 4XX 0.39080 -0.17610 0.12078 -0.05178 -0.25132 41 4YY -0.00075 0.20292 -0.13986 -0.05697 0.21176 42 4ZZ -0.38190 -0.08516 -0.12900 -0.08233 0.04067 43 4XY 0.03371 -0.06823 0.11108 0.02400 0.08578 44 4XZ 0.19114 0.00699 0.08924 -0.23908 0.05725 45 4YZ -0.31879 -0.21514 -0.07684 0.14046 -0.09932 46 4 C 1S 0.00908 0.03634 0.01018 -0.08725 0.01630 47 2S -0.14250 0.30672 0.04530 -0.54266 0.09257 48 2PX 0.00443 0.07040 -0.01124 0.00266 0.01841 49 2PY 0.05591 0.08809 0.06828 -0.06173 -0.01344 50 2PZ 0.02265 -0.08780 -0.01361 -0.13748 0.05356 51 3S -0.08268 -0.74533 -0.00274 4.01299 -0.50272 52 3PX -0.06755 -0.12548 0.19947 -0.77280 0.05963 53 3PY -0.01936 0.46697 -0.08528 -0.99661 -0.07673 54 3PZ 0.13272 0.51245 0.12041 -1.13502 0.18656 55 4XX 0.00201 0.41703 0.31067 -0.37333 0.08989 56 4YY 0.18370 -0.17469 -0.12088 0.21777 0.05227 57 4ZZ -0.13455 -0.23391 -0.15802 0.14930 -0.13842 58 4XY -0.13976 0.32197 0.11034 0.11687 0.03281 59 4XZ 0.02846 0.05781 -0.08459 -0.01657 -0.14630 60 4YZ -0.06189 -0.28813 0.41439 0.14893 0.03404 61 5 C 1S 0.00908 -0.03634 -0.01019 0.08725 0.01630 62 2S -0.14247 -0.30673 -0.04530 0.54265 0.09257 63 2PX 0.00443 -0.07040 0.01124 -0.00266 0.01841 64 2PY -0.05591 0.08808 0.06828 -0.06175 0.01343 65 2PZ 0.02263 0.08782 0.01362 0.13747 0.05356 66 3S -0.08265 0.74534 0.00275 -4.01293 -0.50274 67 3PX -0.06759 0.12548 -0.19946 0.77280 0.05964 68 3PY 0.01933 0.46706 -0.08526 -0.99681 0.07669 69 3PZ 0.13271 -0.51238 -0.12043 1.13481 0.18658 70 4XX 0.00199 -0.41703 -0.31067 0.37332 0.08989 71 4YY 0.18370 0.17477 0.12075 -0.21782 0.05227 72 4ZZ -0.13454 0.23383 0.15815 -0.14924 -0.13843 73 4XY 0.13977 0.32198 0.11033 0.11686 -0.03279 74 4XZ 0.02850 -0.05775 0.08461 0.01661 -0.14631 75 4YZ 0.06194 -0.28815 0.41439 0.14893 -0.03400 76 6 C 1S -0.01283 -0.00980 0.01345 -0.05963 -0.02215 77 2S -0.11704 -0.49842 -0.39346 -1.20356 -0.07144 78 2PX -0.04366 -0.06014 -0.08593 0.02547 0.00559 79 2PY -0.03141 -0.14165 -0.11424 -0.20233 0.03011 80 2PZ -0.01821 -0.05725 -0.20369 0.13364 0.04876 81 3S 0.57073 0.59662 0.55183 3.64540 0.75242 82 3PX -0.12461 0.09682 0.11131 0.00995 -0.11020 83 3PY 0.33319 0.76939 0.42855 1.91278 0.19432 84 3PZ 0.10546 -0.00649 -0.15124 0.47530 0.09157 85 4XX 0.39081 0.17611 -0.12078 0.05181 -0.25132 86 4YY -0.00084 -0.20286 0.13987 0.05690 0.21173 87 4ZZ -0.38182 0.08510 0.12898 0.08237 0.04070 88 4XY -0.03376 -0.06823 0.11110 0.02397 -0.08579 89 4XZ 0.19116 -0.00700 -0.08923 0.23907 0.05724 90 4YZ 0.31885 -0.21520 -0.07684 0.14044 0.09935 91 7 H 1S 0.02361 -0.00512 -0.18323 -0.13566 0.11049 92 2S -0.04907 -0.19332 -0.09154 -0.02032 -0.03304 93 8 H 1S 0.02360 0.00512 0.18323 0.13564 0.11049 94 2S -0.04910 0.19332 0.09154 0.02032 -0.03304 95 9 H 1S -0.02992 -0.21467 0.02767 -0.01694 -0.15578 96 2S 0.11519 -0.17117 -0.11873 -0.36933 0.05446 97 10 H 1S 0.09810 -0.23944 -0.21530 -0.05894 -0.02844 98 2S -0.04170 0.08096 0.02159 0.20923 0.13077 99 11 H 1S 0.09811 0.23944 0.21530 0.05893 -0.02844 100 2S -0.04168 -0.08096 -0.02159 -0.20923 0.13077 101 12 H 1S -0.02992 0.21467 -0.02766 0.01697 -0.15578 102 2S 0.11517 0.17117 0.11872 0.36932 0.05446 103 13 H 1S -0.00841 -0.12707 0.10415 0.23195 -0.01621 104 2S -0.08647 0.28068 -0.06002 0.08816 0.02000 105 14 H 1S -0.00842 0.12707 -0.10415 -0.23194 -0.01621 106 2S -0.08646 -0.28068 0.06003 -0.08816 0.02000 107 15 C 1S 0.00623 0.02961 0.01474 0.03474 0.00275 108 2S 0.11100 0.67421 0.06279 0.35722 -0.06154 109 2PX -0.00153 0.02419 -0.06267 0.00332 -0.01803 110 2PY 0.04717 -0.04967 -0.03669 -0.07568 0.00735 111 2PZ -0.00425 0.14790 -0.03062 0.01438 -0.01521 112 3S -0.18691 -2.73271 -0.64377 -1.86840 -0.02124 113 3PX -0.07591 -0.45845 0.12513 0.26825 -0.16576 114 3PY -0.06599 -1.25588 -0.13844 -0.59188 -0.04442 115 3PZ -0.14920 -1.20153 -0.05220 -0.40847 0.02836 116 4XX 0.09656 -0.22689 -0.02315 0.08758 -0.28045 117 4YY -0.05353 -0.02313 -0.04600 -0.07924 0.03294 118 4ZZ -0.04823 0.14137 0.06390 -0.03196 0.26991 119 4XY -0.01202 -0.07976 -0.09016 -0.17189 0.04705 120 4XZ -0.07030 -0.02414 0.06039 0.10251 0.01958 121 4YZ 0.05578 0.06467 0.06177 0.15491 0.00570 122 16 C 1S 0.00624 -0.02961 -0.01474 -0.03474 0.00275 123 2S 0.11107 -0.67422 -0.06279 -0.35722 -0.06154 124 2PX -0.00151 -0.02419 0.06267 -0.00332 -0.01803 125 2PY -0.04716 -0.04965 -0.03669 -0.07568 -0.00735 126 2PZ -0.00423 -0.14790 0.03061 -0.01439 -0.01522 127 3S -0.18720 2.73272 0.64378 1.86841 -0.02122 128 3PX -0.07600 0.45844 -0.12513 -0.26825 -0.16576 129 3PY 0.06615 -1.25609 -0.13845 -0.59195 0.04440 130 3PZ -0.14936 1.20133 0.05218 0.40837 0.02838 131 4XX 0.09654 0.22689 0.02315 -0.08759 -0.28045 132 4YY -0.05351 0.02312 0.04598 0.07919 0.03295 133 4ZZ -0.04824 -0.14135 -0.06388 0.03201 0.26991 134 4XY 0.01203 -0.07976 -0.09015 -0.17187 -0.04706 135 4XZ -0.07031 0.02413 -0.06041 -0.10254 0.01957 136 4YZ -0.05578 0.06471 0.06179 0.15491 -0.00574 137 17 C 1S -0.00230 0.00000 0.00000 0.00000 0.00404 138 2S -0.17437 0.00000 0.00000 0.00001 -0.01195 139 2PX 0.05154 0.00000 0.00000 0.00000 0.03017 140 2PY 0.00000 0.00369 0.01964 -0.01621 0.00000 141 2PZ 0.02231 0.00000 0.00000 0.00000 -0.00132 142 3S 0.19978 0.00000 0.00000 0.00000 -0.14552 143 3PX -0.24729 0.00000 0.00000 0.00001 0.04785 144 3PY 0.00000 0.03443 -0.01721 -0.10845 -0.00002 145 3PZ 0.02389 0.00000 0.00000 -0.00001 0.23892 146 4XX 0.14744 0.00000 0.00000 0.00001 0.64503 147 4YY 0.08183 0.00002 0.00001 0.00000 0.01968 148 4ZZ -0.19893 -0.00002 -0.00001 -0.00002 -0.64623 149 4XY 0.00000 0.06844 0.09079 0.15300 0.00001 150 4XZ 0.06421 0.00000 0.00001 0.00001 -0.10421 151 4YZ 0.00002 -0.12402 -0.08204 -0.03670 0.00006 152 18 H 1S -0.01166 0.15670 -0.01290 -0.00707 -0.11080 153 2S -0.03612 0.40349 -0.02579 0.00606 0.03427 154 19 H 1S 0.07232 0.00000 0.00000 0.00001 0.33276 155 2S -0.08991 0.00000 0.00000 0.00000 -0.28913 156 20 H 1S -0.01164 -0.15670 0.01290 0.00707 -0.11080 157 2S -0.03607 -0.40350 0.02579 -0.00606 0.03427 158 21 O 1S -0.00066 -0.01629 -0.00067 0.01017 -0.01358 159 2S -0.09061 -0.07090 -0.09542 -0.11033 -0.05391 160 2PX -0.00606 -0.05276 0.02079 0.05450 -0.04953 161 2PY -0.02231 0.02577 -0.02713 -0.03275 -0.00412 162 2PZ -0.01244 -0.02569 0.02205 -0.01992 0.03765 163 3S 0.17919 0.84508 0.19585 0.22102 0.34009 164 3PX -0.06596 -0.13221 -0.06450 -0.21245 0.13754 165 3PY 0.04563 0.16208 0.07935 0.05644 0.15560 166 3PZ -0.04358 -0.05407 -0.06386 0.05580 -0.23240 167 4XX 0.15037 -0.03307 0.03751 0.22029 -0.18479 168 4YY 0.01112 -0.01453 0.00470 -0.03522 0.04275 169 4ZZ -0.17887 -0.02773 -0.06720 -0.15275 0.07289 170 4XY 0.08738 0.09225 0.03307 0.02674 0.24412 171 4XZ -0.02546 -0.17209 0.04475 -0.16063 0.10063 172 4YZ -0.04771 -0.10950 -0.07843 -0.03249 -0.35419 173 22 O 1S -0.00066 0.01629 0.00067 -0.01017 -0.01358 174 2S -0.09062 0.07090 0.09542 0.11033 -0.05391 175 2PX -0.00607 0.05276 -0.02079 -0.05450 -0.04953 176 2PY 0.02231 0.02576 -0.02712 -0.03275 0.00411 177 2PZ -0.01245 0.02569 -0.02205 0.01991 0.03766 178 3S 0.17930 -0.84508 -0.19586 -0.22103 0.34008 179 3PX -0.06599 0.13222 0.06450 0.21245 0.13754 180 3PY -0.04564 0.16207 0.07934 0.05646 -0.15556 181 3PZ -0.04359 0.05410 0.06388 -0.05580 -0.23242 182 4XX 0.15036 0.03307 -0.03751 -0.22029 -0.18479 183 4YY 0.01110 0.01456 -0.00468 0.03523 0.04264 184 4ZZ -0.17885 0.02770 0.06718 0.15274 0.07299 185 4XY -0.08737 0.09222 0.03307 0.02671 -0.24413 186 4XZ -0.02551 0.17210 -0.04474 0.16063 0.10059 187 4YZ 0.04774 -0.10950 -0.07845 -0.03250 0.35418 188 23 H 1S -0.02664 0.00000 0.00000 -0.00001 -0.34751 189 2S 0.11132 0.00000 0.00000 0.00000 0.17198 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52224 2.54538 2.59889 1 1 C 1S 0.02264 0.00318 -0.00735 0.00398 0.00821 2 2S 0.09619 -0.06928 -0.30707 0.10878 0.07333 3 2PX -0.01345 -0.02445 -0.06992 0.07490 -0.03989 4 2PY -0.00948 0.00224 0.00298 -0.03047 0.07363 5 2PZ -0.00579 -0.00904 -0.05349 0.03730 -0.03024 6 3S -0.80000 -0.16799 0.41280 0.71847 -0.26769 7 3PX -0.29683 -0.11882 0.28544 0.31744 -0.12907 8 3PY 0.16637 0.05135 0.02284 -0.10361 -0.01887 9 3PZ -0.25908 -0.17661 0.13638 0.37571 -0.06726 10 4XX -0.06640 0.00704 0.09886 0.04652 -0.02800 11 4YY 0.12619 -0.01318 -0.00119 -0.04097 -0.06571 12 4ZZ -0.05637 0.02218 -0.01878 -0.00885 0.08422 13 4XY -0.02819 0.08753 0.08447 0.05407 0.08153 14 4XZ -0.32000 -0.02702 0.11490 -0.08580 -0.00745 15 4YZ -0.07911 -0.10161 -0.01051 0.01101 0.03905 16 2 C 1S 0.02265 -0.00318 0.00735 -0.00398 0.00821 17 2S 0.09620 0.06928 0.30708 -0.10878 0.07332 18 2PX -0.01344 0.02445 0.06992 -0.07490 -0.03989 19 2PY 0.00949 0.00224 0.00297 -0.03046 -0.07363 20 2PZ -0.00578 0.00904 0.05349 -0.03731 -0.03025 21 3S -0.79997 0.16799 -0.41280 -0.71847 -0.26767 22 3PX -0.29680 0.11882 -0.28544 -0.31744 -0.12907 23 3PY -0.16632 0.05132 0.02286 -0.10354 0.01887 24 3PZ -0.25907 0.17662 -0.13638 -0.37573 -0.06726 25 4XX -0.06639 -0.00704 -0.09886 -0.04652 -0.02800 26 4YY 0.12615 0.01321 0.00119 0.04097 -0.06569 27 4ZZ -0.05634 -0.02221 0.01878 0.00885 0.08421 28 4XY 0.02824 0.08753 0.08449 0.05406 -0.08153 29 4XZ -0.32001 0.02703 -0.11488 0.08582 -0.00746 30 4YZ 0.07916 -0.10161 -0.01051 0.01102 -0.03908 31 3 C 1S -0.05674 0.01408 0.02280 -0.01260 -0.00751 32 2S -0.15182 0.27687 0.29629 -0.67662 -0.01988 33 2PX -0.01062 0.03314 -0.00382 0.00818 -0.03731 34 2PY -0.07946 -0.03911 -0.06421 0.15928 -0.00595 35 2PZ 0.07213 0.04804 -0.08620 -0.03366 -0.02233 36 3S 1.68603 -0.51886 -0.92649 1.33197 0.15547 37 3PX -0.09756 -0.08486 -0.32151 -0.36674 -0.06654 38 3PY -0.42777 0.12711 0.48828 -0.98459 -0.15562 39 3PZ 0.16943 0.24183 -0.24962 -0.14878 -0.07566 40 4XX -0.37552 -0.05328 0.01638 0.11725 0.03210 41 4YY 0.36622 0.02818 -0.03789 -0.00355 -0.18677 42 4ZZ -0.02309 -0.01893 0.00727 0.07046 0.15727 43 4XY 0.17743 -0.01732 -0.06976 -0.04214 -0.02848 44 4XZ 0.17505 0.02675 -0.10185 0.03904 0.09887 45 4YZ -0.21353 -0.08789 0.12820 0.10913 0.05448 46 4 C 1S 0.02643 0.01998 -0.05256 -0.00482 0.00355 47 2S 0.16750 0.23782 -0.42382 -0.09523 -0.24076 48 2PX 0.05140 0.01961 -0.03152 -0.04954 -0.03303 49 2PY -0.04570 0.03118 -0.05658 -0.04512 0.03158 50 2PZ 0.06999 -0.02880 0.01269 0.09536 0.10859 51 3S -0.78660 -0.74760 2.12664 -0.32398 0.06825 52 3PX 0.02819 -0.09962 0.48340 0.90828 0.19654 53 3PY -0.07009 0.27905 -0.64346 0.11161 -0.08513 54 3PZ 0.54482 0.24632 -0.90329 -0.32877 -0.21698 55 4XX 0.16205 0.09306 -0.01373 0.04855 0.08431 56 4YY 0.09007 -0.09082 0.18747 0.10953 0.01264 57 4ZZ -0.25599 -0.03807 -0.15182 -0.14387 -0.00201 58 4XY -0.03648 0.02013 0.32904 0.16398 0.06085 59 4XZ -0.31671 -0.09030 0.40997 0.42662 0.02385 60 4YZ 0.10885 -0.03785 0.06755 -0.10371 0.03729 61 5 C 1S 0.02643 -0.01999 0.05256 0.00482 0.00355 62 2S 0.16753 -0.23782 0.42382 0.09523 -0.24076 63 2PX 0.05140 -0.01961 0.03152 0.04954 -0.03303 64 2PY 0.04568 0.03117 -0.05658 -0.04511 -0.03160 65 2PZ 0.07000 0.02880 -0.01270 -0.09537 0.10858 66 3S -0.78686 0.74761 -2.12664 0.32398 0.06825 67 3PX 0.02824 0.09962 -0.48340 -0.90828 0.19653 68 3PY 0.06993 0.27909 -0.64361 0.11156 0.08516 69 3PZ 0.54491 -0.24627 0.90318 0.32879 -0.21696 70 4XX 0.16207 -0.09305 0.01372 -0.04856 0.08431 71 4YY 0.09008 0.09083 -0.18749 -0.10950 0.01265 72 4ZZ -0.25602 0.03806 0.15185 0.14385 -0.00202 73 4XY 0.03654 0.02011 0.32911 0.16405 -0.06086 74 4XZ -0.31671 0.09030 -0.40991 -0.42659 0.02383 75 4YZ -0.10878 -0.03784 0.06748 -0.10376 -0.03729 76 6 C 1S -0.05674 -0.01408 -0.02280 0.01260 -0.00751 77 2S -0.15191 -0.27687 -0.29629 0.67663 -0.01988 78 2PX -0.01062 -0.03314 0.00381 -0.00818 -0.03731 79 2PY 0.07944 -0.03910 -0.06423 0.15927 0.00595 80 2PZ 0.07215 -0.04805 0.08619 0.03368 -0.02233 81 3S 1.68626 0.51885 0.92649 -1.33198 0.15548 82 3PX -0.09756 0.08486 0.32151 0.36674 -0.06654 83 3PY 0.42787 0.12714 0.48824 -0.98462 0.15564 84 3PZ 0.16953 -0.24181 0.24970 0.14861 -0.07564 85 4XX -0.37551 0.05328 -0.01637 -0.11724 0.03210 86 4YY 0.36616 -0.02815 0.03786 0.00352 -0.18675 87 4ZZ -0.02302 0.01891 -0.00724 -0.07043 0.15725 88 4XY -0.17746 -0.01731 -0.06978 -0.04213 0.02846 89 4XZ 0.17504 -0.02675 0.10184 -0.03905 0.09888 90 4YZ 0.21362 -0.08790 0.12821 0.10914 -0.05454 91 7 H 1S 0.19046 0.00541 -0.05268 0.03157 -0.03710 92 2S -0.08713 -0.06931 0.08889 0.07048 -0.00641 93 8 H 1S 0.19047 -0.00541 0.05268 -0.03157 -0.03710 94 2S -0.08713 0.06931 -0.08889 -0.07048 -0.00641 95 9 H 1S -0.32055 0.03200 0.05152 0.09864 0.11053 96 2S 0.12306 -0.03055 -0.11491 0.25486 0.02786 97 10 H 1S 0.07926 0.01593 -0.46440 -0.31683 -0.11704 98 2S -0.05443 0.09438 0.07211 -0.10225 0.06660 99 11 H 1S 0.07927 -0.01594 0.46440 0.31683 -0.11704 100 2S -0.05445 -0.09438 -0.07211 0.10225 0.06660 101 12 H 1S -0.32055 -0.03200 -0.05152 -0.09863 0.11052 102 2S 0.12308 0.03055 0.11491 -0.25486 0.02786 103 13 H 1S -0.13322 0.02077 -0.28837 -0.42939 0.03839 104 2S -0.06032 0.07880 -0.13392 -0.20613 0.15174 105 14 H 1S -0.13323 -0.02077 0.28837 0.42940 0.03839 106 2S -0.06033 -0.07880 0.13392 0.20613 0.15175 107 15 C 1S 0.00841 -0.01127 -0.00394 -0.01698 0.03374 108 2S -0.12548 0.51012 -0.11086 -0.54569 0.01605 109 2PX 0.03147 0.09575 -0.00966 -0.06935 -0.22954 110 2PY -0.02414 0.16255 0.01934 -0.01109 0.15523 111 2PZ -0.03397 0.09472 -0.07563 -0.10303 -0.09650 112 3S -0.04887 -0.01764 0.83476 1.62262 -0.72268 113 3PX 0.02371 0.66291 0.75493 -0.05482 -0.40332 114 3PY 0.07956 0.40207 0.73915 0.67739 -0.21201 115 3PZ 0.01310 -0.27167 0.74638 0.52692 -0.53827 116 4XX 0.10251 0.29377 -0.01519 0.30043 -0.09029 117 4YY 0.04523 0.23434 0.00375 -0.03087 0.09028 118 4ZZ -0.07572 -0.62804 0.04107 -0.17386 0.03607 119 4XY -0.03106 0.29751 0.31648 -0.32418 -0.04145 120 4XZ -0.03646 -0.02311 0.13629 -0.14562 -0.39512 121 4YZ -0.02693 -0.11508 -0.23720 0.26317 0.00605 122 16 C 1S 0.00840 0.01127 0.00394 0.01698 0.03374 123 2S -0.12551 -0.51012 0.11085 0.54569 0.01605 124 2PX 0.03147 -0.09575 0.00966 0.06935 -0.22954 125 2PY 0.02414 0.16256 0.01933 -0.01110 -0.15522 126 2PZ -0.03396 -0.09469 0.07564 0.10303 -0.09652 127 3S -0.04873 0.01764 -0.83475 -1.62262 -0.72270 128 3PX 0.02369 -0.66291 -0.75493 0.05483 -0.40332 129 3PY -0.07961 0.40203 0.73927 0.67748 0.21211 130 3PZ 0.01312 0.27174 -0.74625 -0.52680 -0.53824 131 4XX 0.10250 -0.29377 0.01519 -0.30043 -0.09030 132 4YY 0.04523 -0.23430 -0.00368 0.03080 0.09028 133 4ZZ -0.07571 0.62800 -0.04114 0.17394 0.03606 134 4XY 0.03106 0.29751 0.31651 -0.32421 0.04152 135 4XZ -0.03647 0.02316 -0.13623 0.14557 -0.39511 136 4YZ 0.02697 -0.11525 -0.23719 0.26314 -0.00604 137 17 C 1S 0.01004 0.00000 0.00000 0.00000 0.07428 138 2S -0.17438 0.00000 0.00000 0.00000 -0.43897 139 2PX 0.08384 0.00000 0.00000 0.00000 0.37889 140 2PY -0.00001 -0.08066 -0.00676 0.02807 -0.00003 141 2PZ 0.05890 -0.00001 0.00000 0.00000 0.41719 142 3S -0.06279 0.00000 0.00000 0.00000 -2.14700 143 3PX -0.11050 0.00000 0.00000 0.00000 0.79009 144 3PY -0.00001 -0.05020 -0.12137 0.02706 -0.00005 145 3PZ 0.03623 0.00000 -0.00001 0.00000 0.57055 146 4XX -0.36866 0.00000 0.00000 0.00000 0.10366 147 4YY 0.01286 0.00000 -0.00005 0.00003 0.02702 148 4ZZ 0.41613 0.00000 0.00004 -0.00003 0.04160 149 4XY 0.00001 0.03658 -0.16062 0.09173 0.00005 150 4XZ -0.04261 0.00000 -0.00001 0.00001 -0.56707 151 4YZ -0.00004 0.00437 0.31424 -0.17747 0.00000 152 18 H 1S 0.05348 -0.23428 -0.20470 -0.01254 0.01941 153 2S 0.02917 -0.00314 -0.36672 -0.13970 -0.19925 154 19 H 1S -0.23284 0.00000 0.00000 0.00000 0.09792 155 2S 0.09415 0.00000 0.00000 0.00000 0.06375 156 20 H 1S 0.05348 0.23427 0.20470 0.01254 0.01941 157 2S 0.02917 0.00314 0.36672 0.13970 -0.19925 158 21 O 1S 0.00139 0.00300 0.02144 0.00521 -0.06144 159 2S -0.08097 0.21701 0.01893 -0.11442 -0.92390 160 2PX 0.02051 0.00671 0.06426 0.05074 -0.01494 161 2PY -0.01418 0.08676 -0.00862 -0.02706 -0.08657 162 2PZ -0.02205 -0.05662 -0.02612 0.01071 -0.02238 163 3S 0.11536 -0.43915 -0.63154 -0.06612 3.05719 164 3PX -0.05080 -0.10931 -0.04514 -0.01805 -0.25908 165 3PY 0.05145 -0.32738 -0.19756 0.05718 1.28060 166 3PZ 0.09508 0.24637 0.10311 0.03736 -0.01284 167 4XX 0.02450 0.38470 -0.11894 0.26091 -0.22173 168 4YY 0.04352 -0.12832 -0.07778 0.08043 0.37412 169 4ZZ -0.05999 -0.21913 0.31350 -0.30753 -0.42540 170 4XY -0.11121 0.02711 -0.05745 -0.04567 -0.09107 171 4XZ -0.00759 -0.23576 0.06004 0.03262 0.31719 172 4YZ 0.20501 0.24648 0.16010 -0.04139 0.09808 173 22 O 1S 0.00139 -0.00300 -0.02144 -0.00520 -0.06144 174 2S -0.08096 -0.21701 -0.01893 0.11442 -0.92390 175 2PX 0.02051 -0.00671 -0.06426 -0.05074 -0.01494 176 2PY 0.01418 0.08675 -0.00863 -0.02706 0.08657 177 2PZ -0.02204 0.05664 0.02612 -0.01072 -0.02236 178 3S 0.11534 0.43915 0.63154 0.06610 3.05719 179 3PX -0.05078 0.10931 0.04514 0.01805 -0.25908 180 3PY -0.05146 -0.32734 -0.19755 0.05719 -1.28060 181 3PZ 0.09506 -0.24642 -0.10315 -0.03735 -0.01305 182 4XX 0.02449 -0.38470 0.11894 -0.26091 -0.22173 183 4YY 0.04358 0.12825 0.07774 -0.08042 0.37415 184 4ZZ -0.06004 0.21920 -0.31345 0.30752 -0.42543 185 4XY 0.11121 0.02707 -0.05744 -0.04566 0.09101 186 4XZ -0.00756 0.23577 -0.06005 -0.03262 0.31720 187 4YZ -0.20499 0.24647 0.16017 -0.04146 -0.09792 188 23 H 1S 0.21960 0.00000 0.00000 0.00000 -0.01724 189 2S -0.01274 0.00000 0.00000 0.00000 0.04487 166 167 168 169 170 V V V V V Eigenvalues -- 2.62741 2.64517 2.67568 2.69296 2.69442 1 1 C 1S 0.03650 -0.09125 0.00238 -0.05528 -0.02282 2 2S -0.07586 -0.29579 0.03104 -0.06266 0.08143 3 2PX -0.27694 0.11493 0.01124 0.02845 0.16202 4 2PY 0.27534 0.18517 -0.12228 0.22604 -0.03368 5 2PZ -0.20687 0.07066 0.02520 0.04494 0.16273 6 3S -0.96112 4.83467 -0.18218 2.08467 0.94876 7 3PX -0.41344 1.32183 0.09886 0.44703 0.33618 8 3PY 0.05247 1.45801 -0.45496 0.74547 -0.40560 9 3PZ -0.39097 1.40746 0.32143 0.36526 0.28649 10 4XX -0.07546 -0.19371 -0.09694 -0.37222 0.13080 11 4YY -0.08989 0.44853 -0.24066 0.44503 -0.20943 12 4ZZ 0.16421 -0.23922 0.26484 -0.09818 0.19690 13 4XY 0.31769 0.10291 -0.11043 0.11581 -0.10455 14 4XZ -0.24104 0.46371 0.11133 0.17442 0.39526 15 4YZ 0.24363 0.23617 -0.32454 -0.27869 -0.13754 16 2 C 1S 0.03650 0.09125 -0.00238 0.05528 -0.02283 17 2S -0.07586 0.29579 -0.03104 0.06268 0.08142 18 2PX -0.27694 -0.11493 -0.01124 -0.02842 0.16203 19 2PY -0.27530 0.18518 -0.12228 0.22606 0.03361 20 2PZ -0.20692 -0.07062 -0.02522 -0.04487 0.16275 21 3S -0.96117 -4.83466 0.18218 -2.08448 0.94916 22 3PX -0.41345 -1.32182 -0.09886 -0.44696 0.33626 23 3PY -0.05238 1.45825 -0.45490 0.74561 0.40541 24 3PZ -0.39099 -1.40721 -0.32151 -0.36507 0.28663 25 4XX -0.07546 0.19371 0.09694 0.37225 0.13073 26 4YY -0.08982 -0.44860 0.24075 -0.44499 -0.20938 27 4ZZ 0.16415 0.23929 -0.26493 0.09814 0.19693 28 4XY -0.31765 0.10299 -0.11041 0.11586 0.10446 29 4XZ -0.24110 -0.46369 -0.11135 -0.17432 0.39531 30 4YZ -0.24368 0.23604 -0.32445 -0.27876 0.13752 31 3 C 1S -0.05663 -0.05183 -0.01608 0.00467 -0.00418 32 2S 0.00742 -0.62634 -0.01425 -0.19420 -0.06858 33 2PX -0.18048 -0.13246 -0.07442 -0.14126 0.18614 34 2PY -0.15219 0.03961 -0.04989 0.03532 0.06815 35 2PZ -0.10575 -0.11434 -0.06740 -0.12060 0.26132 36 3S 1.49281 3.28215 0.56746 0.85073 -0.12665 37 3PX -0.29007 -0.49609 -0.24076 -0.09467 0.61696 38 3PY -0.66665 -1.76845 -0.22739 -0.50843 0.01976 39 3PZ -0.09914 -0.14128 0.18601 -0.10346 0.86596 40 4XX 0.03662 -0.08734 0.19038 0.30128 -0.21269 41 4YY -0.39028 0.18181 0.02145 0.13753 -0.24541 42 4ZZ 0.29645 -0.00322 -0.14583 -0.34167 0.39769 43 4XY 0.19802 0.21180 0.07139 0.08821 -0.43626 44 4XZ 0.63505 0.23505 0.05600 0.08735 -0.03716 45 4YZ 0.18468 0.10320 -0.17754 -0.02677 -0.52146 46 4 C 1S 0.02345 0.02592 -0.04805 0.00106 0.04183 47 2S 0.03995 -0.03619 -0.01576 0.29001 -0.04169 48 2PX 0.04960 0.01445 -0.02163 0.00919 0.06558 49 2PY -0.11856 0.01559 -0.20945 0.01937 -0.08284 50 2PZ 0.11411 0.11239 0.02055 -0.06941 0.18419 51 3S -0.48973 -1.44612 0.82996 -0.89310 -0.80743 52 3PX -0.03160 0.28932 0.31652 -0.25732 0.07089 53 3PY 0.04163 0.42384 -0.69442 0.43232 -0.19991 54 3PZ 0.33176 0.32350 0.11502 0.21774 0.46154 55 4XX 0.20396 0.12021 -0.36923 -0.12700 0.22690 56 4YY -0.04508 -0.07534 0.65239 -0.02243 0.13079 57 4ZZ -0.11232 0.03900 -0.40730 0.03352 -0.29287 58 4XY -0.00313 -0.01515 -0.08524 -0.16112 0.07725 59 4XZ 0.00032 0.04233 -0.02749 0.13529 -0.16268 60 4YZ 0.20610 -0.04408 -0.11843 -0.33095 0.25414 61 5 C 1S 0.02345 -0.02592 0.04805 -0.00106 0.04183 62 2S 0.03995 0.03619 0.01576 -0.29002 -0.04163 63 2PX 0.04960 -0.01445 0.02163 -0.00918 0.06559 64 2PY 0.11854 0.01561 -0.20945 0.01938 0.08281 65 2PZ 0.11413 -0.11239 -0.02058 0.06945 0.18419 66 3S -0.48971 1.44612 -0.82997 0.89295 -0.80759 67 3PX -0.03160 -0.28932 -0.31652 0.25734 0.07084 68 3PY -0.04167 0.42389 -0.69440 0.43240 0.19975 69 3PZ 0.33175 -0.32343 -0.11513 -0.21758 0.46162 70 4XX 0.20395 -0.12021 0.36923 0.12704 0.22686 71 4YY -0.04501 0.07535 -0.65235 0.02255 0.13086 72 4ZZ -0.11238 -0.03901 0.40726 -0.03367 -0.29294 73 4XY 0.00312 -0.01514 -0.08525 -0.16111 -0.07719 74 4XZ 0.00031 -0.04233 0.02747 -0.13535 -0.16267 75 4YZ -0.20609 -0.04405 -0.11864 -0.33099 -0.25399 76 6 C 1S -0.05663 0.05183 0.01608 -0.00467 -0.00418 77 2S 0.00742 0.62634 0.01425 0.19418 -0.06862 78 2PX -0.18048 0.13247 0.07442 0.14130 0.18611 79 2PY 0.15221 0.03959 -0.04990 0.03528 -0.06820 80 2PZ -0.10572 0.11434 0.06740 0.12066 0.26128 81 3S 1.49280 -3.28217 -0.56745 -0.85077 -0.12649 82 3PX -0.29006 0.49609 0.24076 0.09480 0.61694 83 3PY 0.66666 -1.76848 -0.22735 -0.50846 -0.01981 84 3PZ -0.09902 0.14098 -0.18604 0.10354 0.86594 85 4XX 0.03662 0.08735 -0.19038 -0.30132 -0.21263 86 4YY -0.39023 -0.18184 -0.02141 -0.13757 -0.24554 87 4ZZ 0.29639 0.00325 0.14578 0.34174 0.39777 88 4XY -0.19813 0.21184 0.07140 0.08831 0.43625 89 4XZ 0.63501 -0.23502 -0.05598 -0.08735 -0.03706 90 4YZ -0.18481 0.10316 -0.17757 -0.02676 0.52134 91 7 H 1S -0.09978 -0.20981 0.07974 -0.00838 -0.11823 92 2S -0.07859 0.56183 -0.02354 0.12814 0.10432 93 8 H 1S -0.09978 0.20981 -0.07974 0.00835 -0.11823 94 2S -0.07860 -0.56183 0.02354 -0.12812 0.10434 95 9 H 1S 0.20370 -0.05724 -0.01464 -0.06918 0.12387 96 2S 0.03402 0.33776 0.13680 0.13050 -0.05836 97 10 H 1S -0.02362 0.01141 0.07779 0.16916 -0.03533 98 2S 0.04285 -0.05051 -0.15061 0.06243 -0.04626 99 11 H 1S -0.02362 -0.01141 -0.07779 -0.16917 -0.03529 100 2S 0.04285 0.05051 0.15061 -0.06244 -0.04625 101 12 H 1S 0.20370 0.05724 0.01464 0.06920 0.12386 102 2S 0.03402 -0.33776 -0.13680 -0.13051 -0.05833 103 13 H 1S -0.06357 -0.07367 -0.10677 -0.08915 -0.03578 104 2S -0.05822 -0.03254 -0.01694 0.15813 -0.03147 105 14 H 1S -0.06357 0.07367 0.10677 0.08914 -0.03580 106 2S -0.05822 0.03254 0.01694 -0.15814 -0.03144 107 15 C 1S -0.00063 -0.03922 -0.02974 0.03026 0.00185 108 2S -0.05827 -0.17739 -0.08305 0.10944 0.00270 109 2PX 0.10506 -0.08483 -0.01832 0.00634 -0.00620 110 2PY -0.02335 0.24129 0.18958 -0.23522 -0.00043 111 2PZ 0.02047 -0.06660 -0.03225 0.03747 -0.02234 112 3S 0.22442 1.67158 1.23715 -1.21693 -0.07762 113 3PX 0.08609 0.03264 0.12161 0.01679 -0.00559 114 3PY -0.04076 0.89120 0.76104 -0.74892 0.05247 115 3PZ 0.09798 0.46078 0.27563 -0.09574 0.01976 116 4XX 0.01279 -0.21781 -0.22585 0.23838 -0.01032 117 4YY -0.00204 0.43712 0.37425 -0.48168 0.00675 118 4ZZ 0.05122 -0.17941 -0.11279 0.16605 -0.00898 119 4XY 0.01040 0.10110 0.03287 0.02049 0.03003 120 4XZ 0.14137 -0.13134 0.01455 -0.02463 0.00829 121 4YZ 0.00164 0.05112 0.13369 -0.15491 0.02670 122 16 C 1S -0.00063 0.03922 0.02974 -0.03026 0.00185 123 2S -0.05827 0.17739 0.08305 -0.10943 0.00272 124 2PX 0.10506 0.08483 0.01832 -0.00634 -0.00620 125 2PY 0.02334 0.24127 0.18958 -0.23522 0.00048 126 2PZ 0.02048 0.06664 0.03228 -0.03752 -0.02234 127 3S 0.22444 -1.67158 -1.23714 1.21691 -0.07787 128 3PX 0.08609 -0.03265 -0.12161 -0.01679 -0.00559 129 3PY 0.04074 0.89129 0.76109 -0.74894 -0.05232 130 3PZ 0.09799 -0.46064 -0.27550 0.09561 0.01972 131 4XX 0.01279 0.21781 0.22585 -0.23838 -0.01027 132 4YY -0.00204 -0.43713 -0.37429 0.48172 0.00666 133 4ZZ 0.05121 0.17943 0.11283 -0.16610 -0.00896 134 4XY -0.01043 0.10108 0.03287 0.02049 -0.03004 135 4XZ 0.14137 0.13136 -0.01454 0.02463 0.00828 136 4YZ -0.00165 0.05100 0.13359 -0.15479 -0.02666 137 17 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 138 2S 0.00898 0.00000 0.00000 0.00000 -0.01434 139 2PX -0.06133 0.00000 0.00000 0.00000 -0.03734 140 2PY 0.00001 0.25149 0.17477 -0.26575 0.00003 141 2PZ -0.08975 0.00002 0.00001 -0.00003 -0.06564 142 3S 0.59965 -0.00001 0.00000 0.00004 0.41518 143 3PX -0.27696 0.00000 0.00000 -0.00002 -0.24205 144 3PY 0.00001 0.35144 0.23154 -0.32590 0.00003 145 3PZ -0.12399 0.00003 0.00002 -0.00003 -0.04760 146 4XX 0.00332 0.00000 0.00000 0.00000 -0.02296 147 4YY -0.01662 0.00004 0.00003 -0.00004 0.00873 148 4ZZ 0.00413 -0.00004 -0.00003 0.00004 0.03943 149 4XY -0.00001 -0.26235 -0.17507 0.26199 -0.00003 150 4XZ 0.14430 -0.00002 -0.00001 0.00003 0.09201 151 4YZ 0.00000 -0.26599 -0.18253 0.26987 -0.00003 152 18 H 1S -0.05738 -0.00430 0.07117 -0.11215 -0.00939 153 2S 0.02613 -0.19605 -0.19770 0.15478 0.06702 154 19 H 1S -0.03131 0.00000 0.00000 -0.00001 -0.05777 155 2S -0.06396 0.00000 0.00000 0.00000 -0.03433 156 20 H 1S -0.05738 0.00430 -0.07118 0.11215 -0.00941 157 2S 0.02613 0.19605 0.19770 -0.15477 0.06706 158 21 O 1S 0.01854 -0.02776 -0.01417 0.01326 0.00097 159 2S 0.21358 -0.11734 -0.06530 0.19102 0.10073 160 2PX 0.00912 -0.04494 -0.02454 0.00806 -0.01144 161 2PY 0.01351 0.02123 0.01435 -0.01863 0.00595 162 2PZ -0.00168 -0.01135 -0.01156 0.01808 0.00427 163 3S -0.78554 0.39789 0.19339 -0.51084 -0.27587 164 3PX 0.09435 0.18570 0.13889 -0.10522 -0.02425 165 3PY -0.29190 0.22045 0.11367 -0.21852 -0.15035 166 3PZ 0.03305 0.07108 0.08069 -0.13584 -0.08475 167 4XX 0.04062 -0.11737 -0.07683 0.05969 0.04824 168 4YY -0.06712 0.13529 0.09228 -0.16089 -0.09943 169 4ZZ 0.11393 -0.10236 -0.04306 0.08557 0.04309 170 4XY 0.05758 0.05740 0.08108 -0.10471 -0.03424 171 4XZ -0.08961 0.21058 0.10422 -0.09135 0.02048 172 4YZ -0.01691 0.08581 0.06953 -0.10018 -0.04006 173 22 O 1S 0.01854 0.02776 0.01417 -0.01326 0.00097 174 2S 0.21358 0.11733 0.06530 -0.19100 0.10076 175 2PX 0.00912 0.04494 0.02454 -0.00806 -0.01144 176 2PY -0.01351 0.02123 0.01435 -0.01863 -0.00595 177 2PZ -0.00169 0.01136 0.01157 -0.01808 0.00427 178 3S -0.78554 -0.39788 -0.19340 0.51079 -0.27596 179 3PX 0.09435 -0.18570 -0.13889 0.10522 -0.02427 180 3PY 0.29189 0.22045 0.11369 -0.21852 0.15040 181 3PZ 0.03310 -0.07105 -0.08067 0.13578 -0.08475 182 4XX 0.04062 0.11737 0.07683 -0.05968 0.04825 183 4YY -0.06712 -0.13532 -0.09230 0.16090 -0.09947 184 4ZZ 0.11393 0.10238 0.04308 -0.08560 0.04311 185 4XY -0.05757 0.05743 0.08109 -0.10472 0.03426 186 4XZ -0.08962 -0.21057 -0.10420 0.09133 0.02047 187 4YZ 0.01687 0.08576 0.06950 -0.10013 0.04006 188 23 H 1S -0.00072 0.00000 0.00000 0.00000 0.02312 189 2S 0.02564 0.00000 0.00000 0.00000 0.04223 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76591 2.80389 2.86686 2.87995 1 1 C 1S 0.03643 0.00323 0.00784 0.00508 0.00694 2 2S 0.29406 0.05992 0.04152 -0.01532 0.13545 3 2PX -0.12048 -0.00291 -0.03305 -0.00524 -0.01192 4 2PY 0.19058 0.00780 0.00860 -0.03250 0.04019 5 2PZ -0.08423 -0.01760 -0.01752 0.00477 -0.02912 6 3S -3.14519 -0.20793 -1.03514 -0.26962 -0.42643 7 3PX -1.22974 -0.08264 -0.40700 -0.03830 -0.19540 8 3PY -0.53623 0.05179 -0.22280 -0.14426 0.04300 9 3PZ -1.31404 -0.02254 -0.38904 -0.03344 -0.09446 10 4XX -0.22845 -0.02246 0.00535 0.01803 -0.04928 11 4YY 0.29254 0.00204 -0.00566 -0.04837 -0.01558 12 4ZZ -0.05818 -0.00929 -0.01547 0.05293 0.00266 13 4XY 0.06448 0.00881 -0.03096 -0.01533 0.02449 14 4XZ -0.34518 -0.03737 -0.02878 0.03095 -0.06111 15 4YZ -0.20037 0.00519 0.01934 -0.04912 0.01941 16 2 C 1S -0.03643 0.00323 -0.00784 -0.00508 0.00694 17 2S -0.29405 0.05992 -0.04152 0.01532 0.13545 18 2PX 0.12048 -0.00292 0.03305 0.00524 -0.01192 19 2PY 0.19056 -0.00780 0.00860 -0.03250 -0.04018 20 2PZ 0.08427 -0.01760 0.01752 -0.00477 -0.02913 21 3S 3.14519 -0.20796 1.03514 0.26962 -0.42643 22 3PX 1.22973 -0.08265 0.40700 0.03830 -0.19539 23 3PY -0.53645 -0.05178 -0.22287 -0.14427 -0.04297 24 3PZ 1.31395 -0.02256 0.38901 0.03341 -0.09447 25 4XX 0.22845 -0.02246 -0.00535 -0.01803 -0.04928 26 4YY -0.29249 0.00204 0.00565 0.04839 -0.01558 27 4ZZ 0.05812 -0.00929 0.01547 -0.05295 0.00266 28 4XY 0.06442 -0.00880 -0.03096 -0.01532 -0.02448 29 4XZ 0.34519 -0.03737 0.02878 -0.03095 -0.06111 30 4YZ -0.20044 -0.00519 0.01934 -0.04910 -0.01941 31 3 C 1S 0.07982 -0.00422 0.01699 0.00219 -0.01092 32 2S 0.83714 -0.03455 0.48230 0.16651 -0.07343 33 2PX 0.12906 -0.01675 0.04249 -0.00101 -0.02465 34 2PY 0.01612 -0.00266 -0.08054 -0.02810 -0.00836 35 2PZ -0.01716 -0.01863 0.09844 -0.04598 -0.02222 36 3S -4.27732 0.16147 -1.05780 -0.35945 0.44511 37 3PX 0.17234 -0.02298 0.05192 -0.08361 -0.04700 38 3PY 1.92021 -0.03063 0.68720 0.18304 -0.15628 39 3PZ -0.39696 -0.11330 0.18551 -0.05303 -0.17440 40 4XX 0.23990 0.02705 -0.18558 0.01997 0.03293 41 4YY -0.16950 0.01127 -0.00202 -0.02502 0.00308 42 4ZZ -0.29015 -0.03068 0.05339 -0.06297 -0.02617 43 4XY -0.19865 0.03008 0.03041 0.01938 0.04585 44 4XZ -0.28941 0.00064 0.04615 -0.01701 0.03653 45 4YZ 0.07349 0.02828 -0.12959 0.04422 0.04026 46 4 C 1S -0.03530 -0.00445 0.01176 -0.00772 -0.00607 47 2S -0.21545 -0.04664 0.27635 -0.03907 0.02170 48 2PX -0.06099 -0.00918 0.05048 -0.01276 0.01709 49 2PY 0.12107 0.01044 -0.04002 0.01734 -0.00856 50 2PZ -0.20587 -0.00095 -0.06668 -0.02579 -0.00322 51 3S 2.28325 0.12447 -0.19920 0.33578 0.04002 52 3PX -0.34303 0.03078 -0.49663 0.02454 -0.05188 53 3PY 0.21084 0.01824 -0.04627 -0.02017 0.04528 54 3PZ -0.97267 -0.04577 0.40373 -0.15964 0.01751 55 4XX -0.01235 -0.00316 -0.06135 -0.01237 -0.01492 56 4YY -0.35543 -0.00824 0.13328 -0.04037 -0.02523 57 4ZZ 0.36189 0.01977 -0.14064 0.04830 0.00308 58 4XY -0.04694 -0.00771 0.04527 -0.00380 -0.02317 59 4XZ 0.17541 -0.00247 -0.08611 0.02021 -0.01352 60 4YZ -0.15781 -0.01570 0.03244 -0.01509 -0.01007 61 5 C 1S 0.03530 -0.00445 -0.01176 0.00772 -0.00607 62 2S 0.21545 -0.04665 -0.27635 0.03907 0.02170 63 2PX 0.06099 -0.00918 -0.05048 0.01276 0.01709 64 2PY 0.12104 -0.01044 -0.04003 0.01734 0.00856 65 2PZ 0.20589 -0.00095 0.06667 0.02579 -0.00322 66 3S -2.28326 0.12449 0.19920 -0.33578 0.04002 67 3PX 0.34303 0.03078 0.49663 -0.02454 -0.05188 68 3PY 0.21067 -0.01824 -0.04620 -0.02019 -0.04529 69 3PZ 0.97271 -0.04578 -0.40374 0.15963 0.01750 70 4XX 0.01235 -0.00316 0.06135 0.01237 -0.01492 71 4YY 0.35548 -0.00825 -0.13329 0.04037 -0.02524 72 4ZZ -0.36194 0.01978 0.14065 -0.04831 0.00309 73 4XY -0.04691 0.00771 0.04525 -0.00379 0.02317 74 4XZ -0.17542 -0.00247 0.08612 -0.02021 -0.01351 75 4YZ -0.15767 0.01569 0.03239 -0.01507 0.01006 76 6 C 1S -0.07982 -0.00422 -0.01699 -0.00219 -0.01092 77 2S -0.83714 -0.03454 -0.48230 -0.16651 -0.07343 78 2PX -0.12906 -0.01675 -0.04249 0.00101 -0.02465 79 2PY 0.01612 0.00266 -0.08052 -0.02810 0.00837 80 2PZ 0.01716 -0.01863 -0.09845 0.04598 -0.02222 81 3S 4.27733 0.16143 1.05779 0.35945 0.44511 82 3PX -0.17233 -0.02298 -0.05192 0.08361 -0.04700 83 3PY 1.92015 0.03064 0.68723 0.18303 0.15631 84 3PZ 0.39729 -0.11330 -0.18539 0.05306 -0.17438 85 4XX -0.23990 0.02705 0.18558 -0.01997 0.03293 86 4YY 0.16949 0.01128 0.00206 0.02501 0.00309 87 4ZZ 0.29017 -0.03069 -0.05342 0.06298 -0.02618 88 4XY -0.19870 -0.03008 0.03041 0.01937 -0.04585 89 4XZ 0.28938 0.00063 -0.04615 0.01702 0.03652 90 4YZ 0.07346 -0.02827 -0.12958 0.04421 -0.04026 91 7 H 1S 0.12366 0.02203 -0.01169 0.00244 0.02007 92 2S -0.42541 -0.00039 -0.13486 -0.01617 -0.02757 93 8 H 1S -0.12366 0.02203 0.01169 -0.00244 0.02007 94 2S 0.42541 -0.00039 0.13486 0.01617 -0.02757 95 9 H 1S 0.11624 -0.02564 -0.04147 0.01883 -0.02168 96 2S -0.44606 0.01667 -0.11991 -0.05357 0.03661 97 10 H 1S -0.09126 0.00556 0.11181 -0.02476 0.02014 98 2S -0.08267 -0.05642 0.10171 -0.00537 0.00225 99 11 H 1S 0.09126 0.00556 -0.11181 0.02476 0.02014 100 2S 0.08267 -0.05642 -0.10171 0.00537 0.00225 101 12 H 1S -0.11624 -0.02564 0.04147 -0.01883 -0.02168 102 2S 0.44606 0.01667 0.11991 0.05357 0.03661 103 13 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02116 104 2S 0.07225 0.01782 0.22400 -0.01484 -0.02809 105 14 H 1S -0.08220 -0.00730 -0.06372 -0.00166 -0.02116 106 2S -0.07225 0.01782 -0.22400 0.01484 -0.02809 107 15 C 1S 0.02040 0.02612 0.10187 -0.01586 0.02803 108 2S 0.15112 -0.09141 0.64202 0.06178 -0.18665 109 2PX -0.04673 -0.25701 -0.27625 -0.09545 -0.32201 110 2PY 0.13905 0.17847 -0.23353 0.28264 0.08270 111 2PZ -0.05912 -0.16146 -0.03076 -0.07269 -0.22878 112 3S -1.07822 -0.60957 -5.68234 0.43015 -0.97023 113 3PX -0.11835 -0.18940 -0.75612 -0.02191 -0.37014 114 3PY -0.02869 0.16186 -2.30568 0.29543 0.32765 115 3PZ -0.50478 -0.19708 -1.89552 -0.01338 -0.33069 116 4XX -0.21064 -0.03748 0.18626 -0.23078 -0.22108 117 4YY 0.32779 -0.04501 -0.47814 0.55705 0.21559 118 4ZZ -0.03548 0.09118 0.11931 -0.30822 -0.07963 119 4XY 0.04320 0.25629 0.00806 -0.44736 0.13249 120 4XZ -0.00894 -0.18770 -0.42152 -0.10654 -0.37876 121 4YZ 0.05479 0.18863 -0.38955 -0.50466 0.10501 122 16 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 123 2S -0.15113 -0.09141 -0.64202 -0.06178 -0.18665 124 2PX 0.04673 -0.25701 0.27625 0.09545 -0.32200 125 2PY 0.13904 -0.17844 -0.23353 0.28263 -0.08267 126 2PZ 0.05915 -0.16149 0.03073 0.07274 -0.22879 127 3S 1.07822 -0.60958 5.68235 -0.43015 -0.97022 128 3PX 0.11835 -0.18940 0.75612 0.02191 -0.37014 129 3PY -0.02878 -0.16182 -2.30600 0.29543 -0.32760 130 3PZ 0.50478 -0.19711 1.89514 0.01343 -0.33075 131 4XX 0.21064 -0.03749 -0.18625 0.23078 -0.22108 132 4YY -0.32780 -0.04495 0.47825 -0.55690 0.21562 133 4ZZ 0.03550 0.09113 -0.11942 0.30807 -0.07966 134 4XY 0.04320 -0.25626 0.00799 -0.44738 -0.13242 135 4XZ 0.00895 -0.18775 0.42152 0.10647 -0.37878 136 4YZ 0.05472 -0.18866 -0.38944 -0.50483 -0.10495 137 17 C 1S 0.00000 0.02773 0.00000 0.00000 -0.07867 138 2S 0.00000 -0.01875 0.00000 0.00000 0.25243 139 2PX 0.00000 0.05927 0.00000 0.00000 -0.29563 140 2PY 0.39083 -0.00001 0.51832 -0.34019 0.00003 141 2PZ 0.00003 0.07564 0.00004 -0.00003 -0.32734 142 3S 0.00000 -0.75691 0.00000 0.00000 2.15263 143 3PX 0.00000 0.00933 0.00000 0.00000 -0.37834 144 3PY 0.38419 0.00000 0.28912 -0.32208 0.00003 145 3PZ 0.00003 -0.03199 0.00002 -0.00003 -0.35552 146 4XX 0.00000 0.39411 0.00000 0.00000 -0.35335 147 4YY 0.00004 -0.74233 0.00005 -0.00004 0.56668 148 4ZZ -0.00004 0.40251 -0.00005 0.00004 -0.24784 149 4XY -0.35231 -0.00001 -0.39846 0.12337 -0.00001 150 4XZ -0.00003 0.14356 -0.00003 0.00001 0.16513 151 4YZ -0.31674 -0.00011 -0.32484 0.27979 0.00008 152 18 H 1S 0.04898 -0.02768 -0.25011 -0.27606 0.05036 153 2S -0.04068 0.05111 0.71653 0.10445 0.01789 154 19 H 1S 0.00000 -0.09324 0.00000 0.00000 -0.05902 155 2S 0.00000 0.22036 0.00000 0.00000 -0.15263 156 20 H 1S -0.04898 -0.02768 0.25011 0.27606 0.05036 157 2S 0.04068 0.05111 -0.71653 -0.10445 0.01789 158 21 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00136 159 2S -0.42700 -0.32929 -0.85420 0.04168 0.00695 160 2PX 0.00656 0.00128 0.05071 0.02991 0.04383 161 2PY 0.00616 0.07698 -0.04191 -0.02986 0.05006 162 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 163 3S 1.35543 1.35342 2.86363 -0.44194 -0.02053 164 3PX -0.11318 -0.25808 -0.65495 -0.18013 -1.07641 165 3PY 0.45649 0.17200 0.96879 -0.06256 -0.44095 166 3PZ 0.05636 -0.12542 -0.17149 -0.15485 -0.86912 167 4XX -0.07411 0.23273 0.02379 -0.04084 0.31490 168 4YY 0.17106 -0.51155 0.23117 0.15085 -0.30402 169 4ZZ -0.09889 0.06929 -0.25479 0.07243 0.05379 170 4XY 0.11081 0.11493 -0.06527 -0.43297 -0.64994 171 4XZ 0.16073 0.60833 0.24013 -0.17641 0.18666 172 4YZ 0.13758 0.14044 0.13010 -0.28900 -0.54316 173 22 O 1S 0.02198 -0.04852 0.03128 -0.03037 0.00136 174 2S 0.42700 -0.32930 0.85420 -0.04168 0.00695 175 2PX -0.00656 0.00128 -0.05071 -0.02991 0.04383 176 2PY 0.00616 -0.07698 -0.04191 -0.02985 -0.05007 177 2PZ 0.01053 0.00313 -0.01563 -0.02245 0.03257 178 3S -1.35543 1.35343 -2.86363 0.44194 -0.02054 179 3PX 0.11318 -0.25808 0.65495 0.18013 -1.07640 180 3PY 0.45651 -0.17198 0.96876 -0.06258 0.44110 181 3PZ -0.05629 -0.12545 0.17166 0.15484 -0.86904 182 4XX 0.07411 0.23273 -0.02379 0.04084 0.31490 183 4YY -0.17111 -0.51151 -0.23121 -0.15077 -0.30418 184 4ZZ 0.09893 0.06925 0.25483 -0.07251 0.05395 185 4XY 0.11084 -0.11504 -0.06523 -0.43299 0.64991 186 4XZ -0.16070 0.60831 -0.24014 0.17634 0.18676 187 4YZ 0.13753 -0.14056 0.13000 -0.28901 0.54309 188 23 H 1S 0.00000 -0.07778 0.00000 0.00000 0.00249 189 2S 0.00000 0.16849 0.00000 0.00000 -0.15177 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00621 4.10575 1 1 C 1S 0.00099 0.00437 -0.05714 -0.03379 0.00891 2 2S -0.02736 0.22677 0.08210 0.31080 -0.39546 3 2PX -0.17678 0.01768 0.08613 -0.02376 0.02796 4 2PY 0.40581 -0.01752 0.07880 0.03270 0.02158 5 2PZ -0.16365 -0.00507 0.04918 -0.03624 0.03557 6 3S 0.11097 -1.02811 2.10578 -0.18962 1.45243 7 3PX -0.68054 -0.37075 0.61971 -0.12022 0.55495 8 3PY 1.46898 -0.34324 0.58811 0.03481 0.60835 9 3PZ -0.46001 -0.21248 0.71486 -0.05091 0.45543 10 4XX -0.35291 -0.04134 -0.14037 -0.18801 0.14994 11 4YY 0.64462 -0.00444 0.38793 -0.14226 0.22116 12 4ZZ -0.26142 -0.05608 -0.35634 -0.15354 0.10010 13 4XY 0.27747 -0.13525 -0.55065 0.01525 -0.01981 14 4XZ -0.38719 -0.03622 0.02795 -0.03909 0.07220 15 4YZ 0.31033 -0.08207 -0.45040 0.01224 -0.04285 16 2 C 1S -0.00099 -0.00437 0.05714 -0.03379 -0.00892 17 2S 0.02736 -0.22677 -0.08210 0.31080 0.39549 18 2PX 0.17679 -0.01768 -0.08613 -0.02376 -0.02796 19 2PY 0.40579 -0.01752 0.07881 -0.03269 0.02158 20 2PZ 0.16372 0.00506 -0.04917 -0.03625 -0.03557 21 3S -0.11097 1.02812 -2.10578 -0.18962 -1.45243 22 3PX 0.68055 0.37075 -0.61971 -0.12022 -0.55495 23 3PY 1.46890 -0.34327 0.58823 -0.03481 0.60843 24 3PZ 0.46026 0.21243 -0.71476 -0.05092 -0.45533 25 4XX 0.35291 0.04134 0.14037 -0.18801 -0.14996 26 4YY -0.64471 0.00446 -0.38780 -0.14225 -0.22117 27 4ZZ 0.26151 0.05606 0.35621 -0.15354 -0.10013 28 4XY 0.27740 -0.13525 -0.55065 -0.01525 -0.01980 29 4XZ 0.38724 0.03620 -0.02805 -0.03910 -0.07221 30 4YZ 0.31016 -0.08208 -0.45055 -0.01224 -0.04287 31 3 C 1S 0.00270 0.00737 -0.05161 0.01872 0.02612 32 2S -0.22325 0.37733 -0.09988 -0.25464 -0.58057 33 2PX 0.21132 0.01241 -0.17929 -0.02142 -0.05977 34 2PY 0.14417 -0.05423 -0.05559 0.00596 0.00030 35 2PZ 0.24011 0.02624 -0.11044 -0.02751 -0.03781 36 3S -0.36158 -0.85282 1.91450 0.29237 1.23093 37 3PX 0.85911 -0.08788 -0.11731 -0.05157 0.09006 38 3PY -0.03538 0.47503 -0.86066 -0.18168 -0.81112 39 3PZ 1.12976 -0.03585 0.21903 -0.07150 0.20531 40 4XX -0.15723 -0.07174 0.09819 0.13838 0.26064 41 4YY -0.04296 -0.11037 -0.46048 0.10322 0.20084 42 4ZZ 0.17120 0.02601 0.34372 0.09648 0.23212 43 4XY -0.39086 0.01012 -0.01690 0.03131 0.01394 44 4XZ -0.17255 0.07727 0.44751 0.01483 0.08639 45 4YZ -0.46132 0.01153 0.00056 0.04410 -0.00809 46 4 C 1S 0.00107 0.00688 0.03691 0.06653 0.01616 47 2S -0.06637 0.19564 -0.02986 -0.46104 0.06833 48 2PX 0.03444 0.02766 0.02570 -0.01905 0.03804 49 2PY -0.12631 0.00899 -0.05812 0.02753 -0.01920 50 2PZ 0.12790 -0.05878 0.14380 0.00922 0.03087 51 3S -0.24494 -0.11434 -1.19792 -0.20582 -0.86970 52 3PX 0.09386 -0.34144 0.16162 0.12599 0.03453 53 3PY -0.72622 0.15678 0.02064 -0.03486 0.17295 54 3PZ 0.55360 0.09802 0.32377 0.00222 0.47719 55 4XX -0.01177 -0.01198 0.20102 0.28889 0.05226 56 4YY 0.36522 -0.06425 0.00086 0.24091 0.00120 57 4ZZ -0.34533 -0.00598 -0.07847 0.24874 -0.04221 58 4XY 0.04031 0.02391 0.06245 -0.00048 -0.00707 59 4XZ -0.11566 -0.00297 0.01335 -0.02081 -0.06515 60 4YZ 0.10586 0.03770 0.31212 0.00150 0.01852 61 5 C 1S -0.00107 -0.00688 -0.03691 0.06654 -0.01617 62 2S 0.06637 -0.19564 0.02986 -0.46104 -0.06830 63 2PX -0.03444 -0.02766 -0.02570 -0.01905 -0.03804 64 2PY -0.12628 0.00898 -0.05809 -0.02753 -0.01920 65 2PZ -0.12792 0.05878 -0.14381 0.00922 -0.03088 66 3S 0.24494 0.11434 1.19792 -0.20582 0.86971 67 3PX -0.09386 0.34144 -0.16162 0.12599 -0.03453 68 3PY -0.72613 0.15680 0.02069 0.03486 0.17303 69 3PZ -0.55372 -0.09800 -0.32377 0.00222 -0.47716 70 4XX 0.01177 0.01198 -0.20102 0.28890 -0.05227 71 4YY -0.36525 0.06424 -0.00095 0.24091 -0.00122 72 4ZZ 0.34536 0.00599 0.07856 0.24874 0.04220 73 4XY 0.04029 0.02391 0.06245 0.00048 -0.00708 74 4XZ 0.11567 0.00297 -0.01334 -0.02081 0.06515 75 4YZ 0.10572 0.03771 0.31211 -0.00150 0.01851 76 6 C 1S -0.00270 -0.00737 0.05161 0.01872 -0.02612 77 2S 0.22325 -0.37733 0.09988 -0.25465 0.58060 78 2PX -0.21132 -0.01241 0.17929 -0.02142 0.05977 79 2PY 0.14421 -0.05423 -0.05561 -0.00595 0.00030 80 2PZ -0.24008 -0.02625 0.11043 -0.02751 0.03781 81 3S 0.36158 0.85281 -1.91451 0.29236 -1.23092 82 3PX -0.85911 0.08788 0.11731 -0.05157 -0.09006 83 3PY -0.03518 0.47502 -0.86063 0.18169 -0.81108 84 3PZ -1.12977 0.03594 -0.21917 -0.07147 -0.20545 85 4XX 0.15723 0.07174 -0.09818 0.13838 -0.26065 86 4YY 0.04310 0.11036 0.46048 0.10323 -0.20086 87 4ZZ -0.17133 -0.02601 -0.34372 0.09647 -0.23214 88 4XY -0.39089 0.01013 -0.01682 -0.03131 0.01395 89 4XZ 0.17248 -0.07727 -0.44751 0.01483 -0.08639 90 4YZ -0.46128 0.01155 0.00072 -0.04409 -0.00809 91 7 H 1S 0.00031 0.07450 0.29571 0.03219 0.00484 92 2S 0.02803 -0.12661 0.07924 -0.03813 0.21909 93 8 H 1S -0.00031 -0.07450 -0.29571 0.03219 -0.00483 94 2S -0.02803 0.12661 -0.07924 -0.03813 -0.21909 95 9 H 1S 0.03106 0.04413 0.20524 -0.01768 -0.00165 96 2S 0.00283 -0.14005 0.04752 0.08714 0.23778 97 10 H 1S 0.01114 0.03982 -0.04580 -0.01862 0.10073 98 2S -0.00858 0.10169 0.09748 -0.03428 -0.14548 99 11 H 1S -0.01114 -0.03982 0.04580 -0.01862 -0.10073 100 2S 0.00858 -0.10169 -0.09748 -0.03428 0.14548 101 12 H 1S -0.03106 -0.04413 -0.20524 -0.01768 0.00165 102 2S -0.00283 0.14005 -0.04752 0.08714 -0.23778 103 13 H 1S -0.00178 0.03760 -0.01599 -0.02332 0.01833 104 2S -0.00279 0.13850 -0.07819 0.11747 0.06011 105 14 H 1S 0.00178 -0.03760 0.01599 -0.02332 -0.01832 106 2S 0.00279 -0.13850 0.07819 0.11747 -0.06012 107 15 C 1S -0.01522 0.05496 -0.02321 -0.01587 0.08292 108 2S -0.20092 0.14353 -0.05594 0.24707 -0.77032 109 2PX 0.01440 -0.40497 0.06174 -0.05284 0.15495 110 2PY 0.06655 0.23589 -0.03992 0.04193 0.10383 111 2PZ -0.03110 -0.19923 0.03805 -0.00441 0.06218 112 3S 1.13268 -2.85753 1.07598 -0.87278 2.53947 113 3PX 0.19106 -1.00645 0.26718 -0.33959 1.11914 114 3PY 0.48969 -0.28824 0.34373 0.07261 0.49192 115 3PZ 0.48591 -1.49293 0.47216 -0.33694 1.34340 116 4XX -0.03892 -0.30788 0.04763 -0.04392 0.40574 117 4YY 0.12586 0.24502 -0.03997 -0.07698 0.50487 118 4ZZ -0.00489 0.00969 -0.03496 -0.05315 0.37536 119 4XY -0.02562 0.44149 -0.06488 -0.08593 0.01244 120 4XZ 0.03147 -0.47074 0.07862 -0.05438 0.12129 121 4YZ -0.01449 0.33453 -0.07141 -0.06455 0.03972 122 16 C 1S 0.01522 -0.05496 0.02321 -0.01587 -0.08293 123 2S 0.20092 -0.14353 0.05594 0.24707 0.77036 124 2PX -0.01440 0.40497 -0.06174 -0.05284 -0.15496 125 2PY 0.06654 0.23586 -0.03991 -0.04193 0.10384 126 2PZ 0.03111 0.19927 -0.03806 -0.00441 -0.06217 127 3S -1.13267 2.85753 -1.07598 -0.87278 -2.53947 128 3PX -0.19106 1.00645 -0.26718 -0.33958 -1.11914 129 3PY 0.48977 -0.28850 0.34381 -0.07256 0.49215 130 3PZ -0.48582 1.49288 -0.47210 -0.33695 -1.34332 131 4XX 0.03892 0.30789 -0.04763 -0.04392 -0.40577 132 4YY -0.12586 -0.24512 0.03999 -0.07700 -0.50490 133 4ZZ 0.00489 -0.00960 0.03493 -0.05313 -0.37537 134 4XY -0.02561 0.44141 -0.06487 0.08594 0.01246 135 4XZ -0.03147 0.47082 -0.07863 -0.05436 -0.12129 136 4YZ -0.01452 0.33448 -0.07141 0.06454 0.03969 137 17 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00000 138 2S 0.00000 0.00000 0.00000 0.95151 0.00000 139 2PX 0.00000 0.00000 0.00000 0.13752 0.00000 140 2PY -0.14721 -0.36052 0.02385 -0.00001 -0.06093 141 2PZ -0.00001 -0.00003 0.00000 0.11879 0.00000 142 3S -0.00001 0.00000 0.00000 -2.06033 -0.00001 143 3PX 0.00000 0.00000 0.00000 0.55600 0.00000 144 3PY -0.11067 -0.80259 0.11803 -0.00005 -0.41056 145 3PZ -0.00001 -0.00007 0.00001 0.60170 -0.00003 146 4XX 0.00000 0.00000 0.00000 -0.55713 0.00000 147 4YY -0.00001 -0.00005 0.00001 -0.37552 0.00002 148 4ZZ 0.00001 0.00005 -0.00001 -0.55297 -0.00001 149 4XY 0.09550 0.36565 -0.03343 0.00000 -0.04177 150 4XZ 0.00001 0.00003 0.00000 -0.05093 0.00000 151 4YZ 0.09449 0.34659 -0.03846 0.00002 -0.11136 152 18 H 1S -0.01791 0.14805 -0.05656 0.08758 0.07018 153 2S -0.14515 0.20832 -0.09786 -0.04062 -0.40000 154 19 H 1S 0.00000 0.00000 0.00000 0.22973 0.00000 155 2S 0.00000 0.00000 0.00000 -0.03671 0.00000 156 20 H 1S 0.01791 -0.14805 0.05656 0.08758 -0.07018 157 2S 0.14515 -0.20832 0.09786 -0.04062 0.39999 158 21 O 1S 0.00778 0.00147 -0.00816 -0.38220 0.40004 159 2S 0.14687 -0.41006 0.13659 -0.38931 0.57620 160 2PX 0.00761 -0.00747 -0.00147 0.05583 -0.07600 161 2PY 0.00948 0.02955 -0.00258 -0.13500 0.17065 162 2PZ 0.00771 -0.00939 0.00616 0.02055 -0.00397 163 3S -0.59133 1.45536 -0.40937 4.65327 -5.24247 164 3PX 0.06261 -1.36953 0.28266 -0.18049 0.81934 165 3PY -0.20474 -0.03391 -0.06797 0.95525 -0.82546 166 3PZ -0.02831 -0.98151 0.16644 -0.01574 0.39197 167 4XX -0.00149 0.50056 -0.12340 -1.23307 1.20346 168 4YY -0.04089 -0.38764 0.02775 -1.13386 1.25947 169 4ZZ 0.04663 0.13356 -0.04519 -1.29786 1.35578 170 4XY -0.04401 -0.42488 0.07218 0.03973 0.14553 171 4XZ -0.02099 0.40039 -0.06588 0.08294 -0.23278 172 4YZ -0.07277 -0.38088 0.05783 0.08592 0.07045 173 22 O 1S -0.00778 -0.00147 0.00816 -0.38220 -0.40005 174 2S -0.14687 0.41006 -0.13659 -0.38931 -0.57620 175 2PX -0.00761 0.00747 0.00147 0.05583 0.07600 176 2PY 0.00948 0.02955 -0.00258 0.13500 0.17065 177 2PZ -0.00771 0.00940 -0.00616 0.02058 0.00400 178 3S 0.59133 -1.45537 0.40937 4.65326 5.24250 179 3PX -0.06261 1.36953 -0.28266 -0.18049 -0.81934 180 3PY -0.20475 -0.03408 -0.06795 -0.95524 -0.82540 181 3PZ 0.02828 0.98151 -0.16645 -0.01590 -0.39211 182 4XX 0.00149 -0.50056 0.12340 -1.23307 -1.20347 183 4YY 0.04091 0.38775 -0.02777 -1.13383 -1.25949 184 4ZZ -0.04665 -0.13367 0.04520 -1.29788 -1.35577 185 4XY -0.04402 -0.42481 0.07217 -0.03975 0.14549 186 4XZ 0.02098 -0.40046 0.06589 0.08293 0.23281 187 4YZ -0.07275 -0.38078 0.05782 -0.08589 0.07047 188 23 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 189 2S 0.00000 0.00000 0.00000 0.00610 0.00000 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25203 4.26809 4.36206 4.37018 1 1 C 1S -0.19907 0.26090 -0.08460 -0.04540 -0.23407 2 2S 1.36018 -1.42303 0.52574 0.30996 1.44017 3 2PX -0.01081 0.10547 -0.01642 0.01671 -0.05131 4 2PY 0.05856 -0.05467 0.03044 -0.00792 -0.17044 5 2PZ 0.00894 0.06996 0.00807 0.04122 -0.01014 6 3S 0.35631 -1.12985 0.30806 -0.08070 0.43243 7 3PX -0.04305 -0.24740 0.00224 -0.07930 -0.22249 8 3PY -0.02079 0.03256 -0.08951 0.01355 0.12382 9 3PZ -0.07003 -0.16174 -0.04673 -0.08661 -0.35811 10 4XX -0.78721 1.01434 -0.31981 -0.15062 -0.89775 11 4YY -0.73405 0.88722 -0.30691 -0.16343 -1.13782 12 4ZZ -0.78827 1.02343 -0.33941 -0.17311 -0.89949 13 4XY 0.00316 -0.02561 0.00046 -0.02792 0.02962 14 4XZ -0.01737 0.02811 -0.01100 0.00842 -0.00805 15 4YZ -0.00185 -0.03115 -0.00867 -0.04187 -0.00223 16 2 C 1S -0.19907 0.26089 -0.08460 -0.04540 0.23407 17 2S 1.36017 -1.42302 0.52573 0.30994 -1.44018 18 2PX -0.01080 0.10547 -0.01642 0.01671 0.05131 19 2PY -0.05856 0.05465 -0.03044 0.00791 -0.17044 20 2PZ 0.00893 0.06997 0.00807 0.04122 0.01011 21 3S 0.35635 -1.12985 0.30805 -0.08071 -0.43243 22 3PX -0.04303 -0.24739 0.00224 -0.07930 0.22249 23 3PY 0.02078 -0.03253 0.08952 -0.01354 0.12376 24 3PZ -0.07001 -0.16175 -0.04671 -0.08661 0.35813 25 4XX -0.78720 1.01434 -0.31980 -0.15060 0.89776 26 4YY -0.73405 0.88721 -0.30691 -0.16343 1.13782 27 4ZZ -0.78826 1.02344 -0.33940 -0.17309 0.89950 28 4XY -0.00316 0.02561 -0.00046 0.02792 0.02962 29 4XZ -0.01737 0.02811 -0.01100 0.00843 0.00806 30 4YZ 0.00186 0.03112 0.00868 0.04187 -0.00218 31 3 C 1S -0.10991 -0.06750 -0.02797 -0.12708 0.19384 32 2S 0.69616 0.34296 0.06221 0.55856 -0.67731 33 2PX -0.05141 0.09098 -0.03158 -0.00725 0.09422 34 2PY -0.04692 0.05453 -0.00658 0.02418 -0.04397 35 2PZ -0.00560 0.10239 -0.00155 0.01738 0.02712 36 3S 0.23766 0.50315 0.05702 0.67991 -1.49643 37 3PX -0.03896 -0.16176 0.10917 0.07503 0.08011 38 3PY -0.00495 -0.15509 -0.10793 -0.10218 0.70494 39 3PZ -0.03951 -0.19922 0.06666 -0.13906 -0.01780 40 4XX -0.38371 -0.31950 -0.04963 -0.40209 0.61315 41 4YY -0.43502 -0.27952 -0.10324 -0.49492 0.60516 42 4ZZ -0.33223 -0.22100 -0.01354 -0.40651 0.54938 43 4XY 0.03497 -0.07466 -0.01679 -0.03141 -0.05350 44 4XZ 0.07329 -0.04743 0.02946 -0.03617 -0.13773 45 4YZ -0.00687 -0.09566 -0.01762 -0.00655 -0.01178 46 4 C 1S -0.14562 -0.21557 -0.11469 -0.13169 0.11915 47 2S 0.90784 1.08855 0.64713 0.60509 -0.82002 48 2PX -0.00340 0.01852 -0.01041 -0.04726 0.01355 49 2PY -0.02243 -0.00013 -0.01533 0.01490 -0.03980 50 2PZ -0.01942 0.03381 0.03516 0.03760 -0.02207 51 3S 0.48740 0.94700 0.35305 0.53370 0.07874 52 3PX 0.01736 -0.02335 0.07101 0.18572 -0.21851 53 3PY 0.06769 0.06734 0.01879 0.02671 -0.13379 54 3PZ 0.08593 -0.04604 0.02133 -0.07456 -0.30255 55 4XX -0.57847 -0.82329 -0.44143 -0.48416 0.48339 56 4YY -0.50052 -0.70370 -0.39407 -0.42637 0.56236 57 4ZZ -0.56882 -0.80156 -0.46359 -0.45553 0.46910 58 4XY -0.00709 0.00234 0.00011 0.00630 0.01886 59 4XZ 0.00277 0.01461 -0.01213 0.01370 -0.02760 60 4YZ -0.01476 -0.01444 -0.00122 -0.04840 0.03771 61 5 C 1S -0.14561 -0.21557 -0.11469 -0.13169 -0.11914 62 2S 0.90784 1.08855 0.64713 0.60510 0.82000 63 2PX -0.00340 0.01852 -0.01041 -0.04726 -0.01355 64 2PY 0.02244 0.00013 0.01532 -0.01490 -0.03980 65 2PZ -0.01942 0.03381 0.03516 0.03760 0.02206 66 3S 0.48737 0.94700 0.35305 0.53370 -0.07876 67 3PX 0.01736 -0.02335 0.07101 0.18573 0.21851 68 3PY -0.06771 -0.06734 -0.01880 -0.02670 -0.13384 69 3PZ 0.08593 -0.04605 0.02132 -0.07456 0.30253 70 4XX -0.57847 -0.82329 -0.44143 -0.48417 -0.48338 71 4YY -0.50052 -0.70370 -0.39407 -0.42639 -0.56236 72 4ZZ -0.56882 -0.80155 -0.46359 -0.45552 -0.46908 73 4XY 0.00709 -0.00234 -0.00011 -0.00630 0.01886 74 4XZ 0.00277 0.01461 -0.01213 0.01370 0.02760 75 4YZ 0.01477 0.01446 0.00123 0.04841 0.03769 76 6 C 1S -0.10991 -0.06750 -0.02797 -0.12708 -0.19384 77 2S 0.69615 0.34296 0.06221 0.55857 0.67732 78 2PX -0.05141 0.09098 -0.03158 -0.00725 -0.09422 79 2PY 0.04693 -0.05455 0.00658 -0.02418 -0.04397 80 2PZ -0.00559 0.10238 -0.00155 0.01737 -0.02712 81 3S 0.23769 0.50315 0.05702 0.67993 1.49644 82 3PX -0.03896 -0.16176 0.10917 0.07503 -0.08011 83 3PY 0.00498 0.15513 0.10792 0.10221 0.70493 84 3PZ -0.03950 -0.19919 0.06667 -0.13904 0.01792 85 4XX -0.38371 -0.31949 -0.04963 -0.40210 -0.61316 86 4YY -0.43502 -0.27954 -0.10324 -0.49493 -0.60516 87 4ZZ -0.33222 -0.22097 -0.01354 -0.40651 -0.54939 88 4XY -0.03498 0.07467 0.01678 0.03142 -0.05353 89 4XZ 0.07329 -0.04741 0.02947 -0.03616 0.13772 90 4YZ 0.00685 0.09565 0.01760 0.00653 -0.01179 91 7 H 1S 0.08719 -0.09944 0.02932 0.04029 0.06156 92 2S -0.18577 0.14601 -0.12020 -0.09049 -0.28247 93 8 H 1S 0.08719 -0.09944 0.02932 0.04029 -0.06156 94 2S -0.18576 0.14601 -0.12020 -0.09048 0.28247 95 9 H 1S 0.06190 0.03235 0.03186 0.04767 -0.07622 96 2S -0.09577 -0.01853 0.01563 -0.11207 -0.06930 97 10 H 1S 0.06194 0.06902 0.03397 0.02826 -0.03716 98 2S -0.18200 -0.21814 -0.14851 -0.26752 0.21408 99 11 H 1S 0.06194 0.06902 0.03397 0.02826 0.03716 100 2S -0.18201 -0.21814 -0.14851 -0.26752 -0.21408 101 12 H 1S 0.06190 0.03235 0.03186 0.04767 0.07622 102 2S -0.09576 -0.01853 0.01563 -0.11207 0.06930 103 13 H 1S 0.05448 0.05965 0.04197 0.05722 0.08179 104 2S -0.17674 -0.22840 -0.07682 -0.01556 -0.14863 105 14 H 1S 0.05449 0.05965 0.04197 0.05722 -0.08179 106 2S -0.17674 -0.22840 -0.07682 -0.01556 0.14863 107 15 C 1S -0.19129 -0.07297 0.14515 0.25574 -0.11796 108 2S 1.23013 0.54256 -0.63422 -1.30939 0.92776 109 2PX -0.05215 -0.01534 0.00532 0.01098 -0.03725 110 2PY 0.06975 0.06631 0.00608 -0.03772 -0.08656 111 2PZ -0.03585 -0.00411 0.04881 0.08642 -0.03192 112 3S 0.46730 -0.12373 -0.41162 -1.23922 0.31617 113 3PX 0.05189 -0.27416 0.01900 0.02013 0.32891 114 3PY -0.03773 -0.04786 -0.18472 0.09217 -0.03821 115 3PZ -0.00227 -0.29389 -0.16509 -0.24564 -0.02353 116 4XX -0.77668 -0.32343 0.50713 0.99708 -0.55962 117 4YY -0.69153 -0.27499 0.44732 0.87275 -0.64060 118 4ZZ -0.76246 -0.32067 0.52729 0.98210 -0.51960 119 4XY 0.01170 0.00350 -0.02672 -0.04985 0.03220 120 4XZ -0.01768 -0.06142 -0.00855 0.06508 -0.00593 121 4YZ -0.00492 0.02031 0.00692 0.00399 -0.00791 122 16 C 1S -0.19128 -0.07297 0.14515 0.25574 0.11795 123 2S 1.23010 0.54256 -0.63422 -1.30939 -0.92775 124 2PX -0.05215 -0.01534 0.00532 0.01098 0.03725 125 2PY -0.06974 -0.06631 -0.00609 0.03770 -0.08656 126 2PZ -0.03586 -0.00412 0.04881 0.08643 0.03191 127 3S 0.46737 -0.12372 -0.41161 -1.23922 -0.31616 128 3PX 0.05192 -0.27415 0.01900 0.02013 -0.32891 129 3PY 0.03771 0.04791 0.18474 -0.09213 -0.03822 130 3PZ -0.00223 -0.29388 -0.16506 -0.24566 0.02353 131 4XX -0.77667 -0.32342 0.50712 0.99708 0.55961 132 4YY -0.69151 -0.27497 0.44733 0.87275 0.64059 133 4ZZ -0.76245 -0.32067 0.52729 0.98210 0.51959 134 4XY -0.01169 -0.00349 0.02672 0.04984 0.03220 135 4XZ -0.01768 -0.06142 -0.00855 0.06509 0.00593 136 4YZ 0.00493 -0.02030 -0.00693 -0.00401 -0.00788 137 17 C 1S 0.06724 -0.05282 -0.40592 0.21153 0.00000 138 2S -0.25831 0.37115 2.24815 -1.34962 0.00001 139 2PX 0.00837 0.05117 0.11161 -0.04492 0.00000 140 2PY 0.00000 -0.00001 -0.00001 0.00000 0.00150 141 2PZ 0.00504 0.06355 0.10704 -0.04134 0.00000 142 3S -0.67835 -0.51184 2.05283 -1.32868 0.00001 143 3PX 0.13193 0.20290 -0.09317 -0.02952 0.00000 144 3PY 0.00000 -0.00001 0.00000 0.00000 -0.14476 145 3PZ 0.09210 0.13861 -0.02571 -0.04791 -0.00001 146 4XX 0.21283 -0.22465 -1.53737 0.88464 -0.00001 147 4YY 0.23198 -0.21334 -1.73828 0.98687 0.00000 148 4ZZ 0.22388 -0.24401 -1.56213 0.85071 -0.00001 149 4XY 0.00000 0.00000 0.00000 -0.00001 -0.00710 150 4XZ -0.03895 -0.03610 -0.03269 0.07873 0.00000 151 4YZ 0.00000 0.00000 -0.00002 0.00001 -0.00642 152 18 H 1S 0.09945 0.01252 -0.08137 -0.07090 -0.08960 153 2S -0.18690 -0.17307 0.01697 0.20806 0.13721 154 19 H 1S 0.00038 0.06945 0.08060 -0.02108 0.00000 155 2S 0.13001 0.03731 -0.44945 0.33236 0.00000 156 20 H 1S 0.09945 0.01252 -0.08137 -0.07090 0.08960 157 2S -0.18691 -0.17307 0.01697 0.20806 -0.13721 158 21 O 1S -0.01897 -0.09694 0.06219 -0.11349 0.05526 159 2S -0.04202 -0.20537 -0.03585 -0.09094 0.03459 160 2PX -0.03446 -0.00225 0.04231 0.04605 -0.02270 161 2PY -0.00361 -0.02741 0.05073 -0.07974 0.03103 162 2PZ -0.03322 -0.00118 0.03427 0.01602 -0.02039 163 3S 0.27722 1.47839 -0.67570 1.52543 -0.68519 164 3PX -0.02118 -0.14841 0.04669 -0.11363 -0.04064 165 3PY 0.10419 0.36497 0.07354 0.10067 -0.06050 166 3PZ 0.01860 -0.05676 0.08288 0.00384 0.00981 167 4XX -0.00419 -0.26615 0.16931 -0.44034 0.23252 168 4YY -0.07113 -0.25329 0.41479 -0.46459 0.18870 169 4ZZ -0.03523 -0.31329 0.17578 -0.43531 0.19910 170 4XY -0.04944 -0.01880 0.14322 -0.02004 -0.03238 171 4XZ 0.06883 0.07568 0.01342 -0.13458 0.04372 172 4YZ -0.02818 0.01156 0.14880 -0.02490 -0.02478 173 22 O 1S -0.01896 -0.09694 0.06219 -0.11349 -0.05526 174 2S -0.04200 -0.20537 -0.03585 -0.09094 -0.03459 175 2PX -0.03447 -0.00225 0.04231 0.04605 0.02270 176 2PY 0.00361 0.02741 -0.05074 0.07973 0.03102 177 2PZ -0.03322 -0.00118 0.03427 0.01603 0.02040 178 3S 0.27706 1.47837 -0.67570 1.52542 0.68518 179 3PX -0.02116 -0.14841 0.04669 -0.11363 0.04064 180 3PY -0.10417 -0.36496 -0.07356 -0.10067 -0.06050 181 3PZ 0.01860 -0.05682 0.08287 0.00382 -0.00982 182 4XX -0.00416 -0.26614 0.16931 -0.44034 -0.23251 183 4YY -0.07111 -0.25328 0.41483 -0.46459 -0.18869 184 4ZZ -0.03518 -0.31329 0.17573 -0.43530 -0.19911 185 4XY 0.04943 0.01879 -0.14322 0.02006 -0.03237 186 4XZ 0.06883 0.07569 0.01340 -0.13458 -0.04372 187 4YZ 0.02817 -0.01155 -0.14875 0.02489 -0.02478 188 23 H 1S 0.00423 0.05875 0.08711 -0.02327 0.00000 189 2S 0.07079 -0.04080 -0.42367 0.27737 0.00000 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64965 4.87449 1 1 C 1S 0.04280 0.24217 -0.03737 -0.11023 2 2S -0.21216 -1.19024 0.29999 0.33660 3 2PX 0.09757 0.08943 -0.01815 -0.05852 4 2PY -0.08020 0.11208 -0.02021 0.02657 5 2PZ 0.08308 0.06554 -0.01300 -0.07667 6 3S -0.59545 -2.23761 0.13878 3.99599 7 3PX -0.15488 -0.42202 -0.08790 1.25042 8 3PY 0.05353 -0.47940 -0.09226 0.81441 9 3PZ -0.11880 -0.33627 -0.07154 1.24689 10 4XX 0.21908 0.88230 -0.17575 -0.40026 11 4YY 0.18359 1.09651 -0.25488 -0.47316 12 4ZZ 0.22464 0.90363 -0.16786 -0.40658 13 4XY -0.10512 -0.05596 0.05226 0.12983 14 4XZ 0.07638 0.02439 -0.04121 -0.07579 15 4YZ -0.07636 -0.05261 -0.00127 0.11044 16 2 C 1S 0.04279 -0.24217 0.03737 0.11023 17 2S -0.21213 1.19025 -0.29999 -0.33660 18 2PX 0.09757 -0.08944 0.01815 0.05852 19 2PY 0.08019 0.11209 -0.02021 0.02656 20 2PZ 0.08309 -0.06552 0.01300 0.07667 21 3S -0.59542 2.23762 -0.13879 -3.99599 22 3PX -0.15488 0.42202 0.08790 -1.25042 23 3PY -0.05352 -0.47946 -0.09228 0.81463 24 3PZ -0.11881 0.33619 0.07152 -1.24675 25 4XX 0.21906 -0.88231 0.17575 0.40026 26 4YY 0.18354 -1.09650 0.25489 0.47312 27 4ZZ 0.22464 -0.90366 0.16786 0.40661 28 4XY 0.10510 -0.05596 0.05225 0.12982 29 4XZ 0.07640 -0.02440 0.04122 0.07581 30 4YZ 0.07635 -0.05265 -0.00125 0.11046 31 3 C 1S -0.31019 0.01767 -0.06330 -0.39729 32 2S 1.68116 -0.20887 0.63544 0.86942 33 2PX 0.01697 -0.06182 0.02304 -0.03926 34 2PY 0.09743 -0.04326 0.02358 0.23823 35 2PZ 0.00166 -0.06096 0.02871 0.00260 36 3S 2.08459 -0.18119 0.58300 5.57569 37 3PX 0.10552 0.23121 -0.07557 0.02225 38 3PY -0.20669 0.16621 -0.01747 -2.17149 39 3PZ 0.09638 0.15244 0.18172 0.16656 40 4XX -1.20503 0.20745 -0.35224 -1.24844 41 4YY -1.18910 0.11227 -0.29726 -1.23879 42 4ZZ -1.30358 0.06088 -0.44323 -1.26345 43 4XY -0.03523 0.04980 0.04075 -0.05450 44 4XZ -0.10807 0.04977 -0.03871 -0.08153 45 4YZ 0.01143 0.09009 0.02058 -0.02981 46 4 C 1S 0.16798 0.21053 0.29789 0.02103 47 2S -0.86756 -1.00766 -1.24072 -0.07128 48 2PX -0.01012 -0.02444 0.02140 -0.03682 49 2PY 0.02351 -0.03247 -0.02923 0.01344 50 2PZ -0.07698 -0.03357 -0.10518 0.09486 51 3S -1.27575 -1.69262 -2.92582 -2.19370 52 3PX 0.00799 0.11098 -0.25116 0.69995 53 3PY -0.12525 0.16533 0.45994 0.12982 54 3PZ 0.23329 0.09184 0.38998 0.65229 55 4XX 0.64204 0.75620 1.00221 0.04238 56 4YY 0.57648 0.86670 1.18726 0.08414 57 4ZZ 0.75185 0.74113 1.07430 0.10626 58 4XY -0.02899 -0.02893 -0.00100 -0.03454 59 4XZ 0.05157 -0.00088 0.01517 0.05015 60 4YZ -0.09802 -0.01051 -0.07547 -0.09365 61 5 C 1S 0.16798 -0.21053 -0.29789 -0.02103 62 2S -0.86757 1.00767 1.24072 0.07128 63 2PX -0.01012 0.02444 -0.02140 0.03682 64 2PY -0.02349 -0.03248 -0.02924 0.01345 65 2PZ -0.07698 0.03356 0.10518 -0.09486 66 3S -1.27575 1.69263 2.92582 2.19370 67 3PX 0.00799 -0.11098 0.25116 -0.69995 68 3PY 0.12521 0.16534 0.46001 0.12993 69 3PZ 0.23331 -0.09182 -0.38990 -0.65226 70 4XX 0.64204 -0.75621 -1.00221 -0.04238 71 4YY 0.57646 -0.86671 -1.18723 -0.08411 72 4ZZ 0.75188 -0.74114 -1.07432 -0.10628 73 4XY 0.02898 -0.02893 -0.00099 -0.03453 74 4XZ 0.05157 0.00087 -0.01517 -0.05016 75 4YZ 0.09799 -0.01054 -0.07549 -0.09365 76 6 C 1S -0.31019 -0.01767 0.06330 0.39729 77 2S 1.68116 0.20885 -0.63543 -0.86942 78 2PX 0.01697 0.06182 -0.02304 0.03927 79 2PY -0.09743 -0.04326 0.02359 0.23823 80 2PZ 0.00165 0.06095 -0.02871 -0.00256 81 3S 2.08458 0.18117 -0.58299 -5.57568 82 3PX 0.10552 -0.23121 0.07557 -0.02225 83 3PY 0.20667 0.16623 -0.01744 -2.17146 84 3PZ 0.09641 -0.15241 -0.18172 -0.16692 85 4XX -1.20503 -0.20744 0.35223 1.24844 86 4YY -1.18910 -0.11228 0.29724 1.23880 87 4ZZ -1.30358 -0.06084 0.44323 1.26345 88 4XY 0.03525 0.04981 0.04074 -0.05452 89 4XZ -0.10807 -0.04976 0.03872 0.08152 90 4YZ -0.01141 0.09008 0.02056 -0.02981 91 7 H 1S 0.00537 -0.07286 0.00564 0.04270 92 2S 0.02407 0.06615 -0.11385 0.30473 93 8 H 1S 0.00537 0.07286 -0.00564 -0.04270 94 2S 0.02407 -0.06615 0.11385 -0.30472 95 9 H 1S 0.05467 -0.03349 0.00482 0.08320 96 2S -0.29990 -0.04597 -0.07286 0.13425 97 10 H 1S -0.01870 -0.00393 0.06363 0.04794 98 2S 0.21773 0.17506 0.41161 -0.18191 99 11 H 1S -0.01870 0.00393 -0.06363 -0.04794 100 2S 0.21773 -0.17506 -0.41160 0.18192 101 12 H 1S 0.05467 0.03349 -0.00482 -0.08320 102 2S -0.29990 0.04597 0.07285 -0.13426 103 13 H 1S -0.01389 -0.00437 0.00313 -0.14580 104 2S 0.13792 -0.27344 -0.14864 -0.16922 105 14 H 1S -0.01389 0.00437 -0.00313 0.14580 106 2S 0.13793 0.27344 0.14865 0.16922 107 15 C 1S 0.00633 -0.17834 0.24161 -0.21137 108 2S 0.16524 0.98152 -0.91675 0.15203 109 2PX -0.00813 -0.01938 -0.00521 0.08698 110 2PY -0.00338 -0.09664 0.10304 -0.04914 111 2PZ -0.01511 -0.02680 0.11076 -0.04975 112 3S -0.34571 1.01616 -3.28322 5.19184 113 3PX 0.09569 -0.41270 -0.36043 0.33781 114 3PY 0.12758 0.07954 -1.05937 1.23569 115 3PZ -0.04665 -0.34429 -0.93871 1.67717 116 4XX -0.07569 -0.72296 0.85733 -0.48358 117 4YY -0.01734 -0.85064 0.97511 -0.67533 118 4ZZ -0.02158 -0.68691 0.83961 -0.56737 119 4XY -0.01692 0.02066 0.00859 -0.00885 120 4XZ 0.01704 -0.07022 -0.00944 0.01514 121 4YZ 0.00893 0.04284 -0.04805 0.04246 122 16 C 1S 0.00633 0.17835 -0.24161 0.21137 123 2S 0.16523 -0.98153 0.91675 -0.15203 124 2PX -0.00813 0.01938 0.00521 -0.08698 125 2PY 0.00339 -0.09664 0.10306 -0.04915 126 2PZ -0.01510 0.02678 -0.11074 0.04974 127 3S -0.34572 -1.01617 3.28323 -5.19185 128 3PX 0.09570 0.41270 0.36043 -0.33781 129 3PY -0.12756 0.07948 -1.05953 1.23597 130 3PZ -0.04667 0.34430 0.93853 -1.67697 131 4XX -0.07568 0.72297 -0.85733 0.48358 132 4YY -0.01733 0.85063 -0.97510 0.67532 133 4ZZ -0.02157 0.68692 -0.83963 0.56739 134 4XY 0.01692 0.02065 0.00859 -0.00884 135 4XZ 0.01705 0.07022 0.00945 -0.01514 136 4YZ -0.00893 0.04288 -0.04808 0.04248 137 17 C 1S -0.08865 0.00000 0.00000 0.00000 138 2S 0.39750 0.00000 0.00000 0.00000 139 2PX 0.04051 0.00000 0.00000 0.00000 140 2PY 0.00000 -0.01241 0.02390 -0.07390 141 2PZ -0.00770 0.00000 0.00000 -0.00001 142 3S 0.79398 0.00000 0.00000 0.00000 143 3PX -0.21555 0.00000 0.00000 0.00000 144 3PY -0.00001 -0.15140 0.07408 -0.10265 145 3PZ 0.06601 -0.00001 0.00001 -0.00001 146 4XX -0.33208 0.00000 0.00000 0.00000 147 4YY -0.33348 0.00000 0.00000 0.00001 148 4ZZ -0.31768 0.00000 0.00000 -0.00001 149 4XY 0.00000 0.01475 0.01885 0.00690 150 4XZ 0.00227 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00054 0.02228 -0.04361 152 18 H 1S 0.03105 0.03384 0.07911 0.01537 153 2S 0.07584 0.31712 0.14415 -0.19376 154 19 H 1S -0.02611 0.00000 0.00000 0.00000 155 2S -0.23886 0.00000 0.00000 0.00000 156 20 H 1S 0.03105 -0.03384 -0.07911 -0.01537 157 2S 0.07584 -0.31712 -0.14415 0.19376 158 21 O 1S 0.02248 0.02131 -0.07046 0.15857 159 2S 0.01413 -0.04384 -0.12989 0.41042 160 2PX 0.00745 -0.03175 0.02760 -0.06403 161 2PY 0.01810 0.02827 -0.03199 0.06994 162 2PZ 0.01785 -0.00969 0.01485 -0.00946 163 3S -0.30192 -0.07637 1.41386 -3.01478 164 3PX -0.05695 -0.15156 -0.21138 0.68382 165 3PY -0.08102 0.00408 0.18131 -0.45750 166 3PZ -0.09218 -0.14396 -0.03793 0.20503 167 4XX 0.09222 0.15360 -0.24682 0.44275 168 4YY 0.09752 0.07910 -0.24804 0.51734 169 4ZZ 0.06838 0.10319 -0.25742 0.55333 170 4XY 0.02039 -0.06395 0.02900 0.03263 171 4XZ 0.02571 0.09104 -0.09141 -0.00221 172 4YZ 0.01583 -0.05793 0.02231 -0.00450 173 22 O 1S 0.02248 -0.02131 0.07046 -0.15857 174 2S 0.01413 0.04384 0.12989 -0.41042 175 2PX 0.00745 0.03175 -0.02760 0.06403 176 2PY -0.01810 0.02827 -0.03198 0.06994 177 2PZ 0.01785 0.00969 -0.01485 0.00948 178 3S -0.30194 0.07638 -1.41386 3.01478 179 3PX -0.05694 0.15156 0.21139 -0.68382 180 3PY 0.08104 0.00405 0.18130 -0.45747 181 3PZ -0.09216 0.14396 0.03796 -0.20511 182 4XX 0.09223 -0.15360 0.24682 -0.44275 183 4YY 0.09753 -0.07908 0.24804 -0.51734 184 4ZZ 0.06837 -0.10320 0.25742 -0.55333 185 4XY -0.02040 -0.06394 0.02899 0.03263 186 4XZ 0.02571 -0.09105 0.09142 0.00222 187 4YZ -0.01583 -0.05792 0.02231 -0.00449 188 23 H 1S 0.02022 0.00000 0.00000 0.00000 189 2S -0.02663 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX 0.00133 0.00226 0.36896 4 2PY 0.00053 0.00162 0.00011 0.41335 5 2PZ -0.00083 0.00777 0.03332 -0.00266 0.39023 6 3S -0.16067 0.24765 -0.01951 0.01123 -0.02947 7 3PX 0.00664 -0.02275 0.18141 0.01274 -0.07523 8 3PY 0.00378 -0.01621 0.01322 0.13842 -0.02579 9 3PZ 0.00494 -0.01459 -0.05968 -0.00573 0.16791 10 4XX -0.01431 -0.00947 0.00801 -0.00593 -0.00344 11 4YY -0.01700 -0.00308 -0.00427 0.01307 -0.00039 12 4ZZ -0.01612 -0.00535 -0.00689 -0.01026 -0.00257 13 4XY -0.00088 0.00123 -0.00498 0.00025 -0.01075 14 4XZ -0.00455 0.00944 -0.00068 -0.00920 -0.00219 15 4YZ -0.00203 0.00342 -0.00949 -0.00195 -0.01031 16 2 C 1S 0.01672 -0.03254 0.00479 -0.07797 -0.00360 17 2S -0.03254 0.05577 -0.01028 0.16058 0.00093 18 2PX 0.00479 -0.01028 0.11573 -0.00849 -0.08833 19 2PY 0.07797 -0.16058 0.00851 -0.31237 -0.00043 20 2PZ -0.00359 0.00090 -0.08833 0.00036 0.08701 21 3S -0.00467 0.03451 -0.00798 0.12659 0.05755 22 3PX 0.00094 0.00533 0.08530 -0.01486 -0.03723 23 3PY 0.01400 -0.04349 0.01552 -0.09114 -0.01193 24 3PZ -0.00371 0.00939 -0.04784 -0.01857 0.07390 25 4XX 0.00249 -0.00552 0.00010 -0.00873 -0.00017 26 4YY -0.00695 0.01218 0.00108 0.00580 0.00050 27 4ZZ 0.00269 -0.00612 0.00091 -0.00925 -0.00155 28 4XY -0.00016 -0.00021 -0.01297 -0.00146 0.00018 29 4XZ 0.00058 -0.00150 0.00061 -0.00312 0.00043 30 4YZ -0.00018 -0.00010 -0.00005 0.00022 -0.01358 31 3 C 1S -0.00340 0.00831 0.00083 0.01224 0.00587 32 2S 0.00823 -0.01879 -0.00174 -0.03290 -0.01501 33 2PX -0.00832 0.02655 -0.00638 0.03169 0.02711 34 2PY -0.01167 0.02675 0.00246 0.03374 0.00711 35 2PZ -0.00446 0.01369 0.02038 0.01505 -0.00551 36 3S 0.00597 -0.02039 -0.03770 -0.02415 -0.04546 37 3PX -0.00436 0.01395 -0.00491 0.01849 0.03621 38 3PY -0.00283 0.01068 0.00153 -0.00564 0.01117 39 3PZ -0.00411 0.00852 0.03958 0.02546 -0.01414 40 4XX 0.00055 -0.00122 -0.00654 -0.00245 0.00489 41 4YY -0.00184 0.00439 0.00163 0.00978 0.00043 42 4ZZ 0.00071 -0.00116 0.00388 -0.00241 -0.00350 43 4XY -0.00099 0.00185 -0.00106 0.00569 0.00147 44 4XZ 0.00063 -0.00122 0.00247 -0.00138 -0.00179 45 4YZ -0.00075 0.00145 0.00231 0.00452 -0.00111 46 4 C 1S -0.00267 0.00503 0.00128 0.00375 0.00577 47 2S 0.00479 -0.00883 0.00214 -0.00681 -0.01508 48 2PX -0.00207 0.00444 -0.00674 0.00763 0.00881 49 2PY -0.00390 0.00856 0.02849 -0.01161 0.00380 50 2PZ -0.00787 0.01255 -0.01132 0.02367 0.02037 51 3S 0.01324 -0.02297 -0.02357 -0.03018 -0.00945 52 3PX -0.00106 0.00172 -0.00051 0.00183 0.00166 53 3PY -0.00348 0.00737 0.02761 -0.00891 -0.00192 54 3PZ -0.00485 0.00736 -0.00614 0.02432 0.00453 55 4XX -0.00029 0.00034 -0.00037 -0.00022 0.00077 56 4YY -0.00010 0.00024 0.00061 0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 0.00010 -0.00197 0.00059 58 4XY 0.00007 -0.00035 -0.00023 0.00100 -0.00059 59 4XZ 0.00019 -0.00044 0.00102 -0.00088 -0.00064 60 4YZ 0.00020 -0.00082 -0.00128 0.00015 -0.00008 61 5 C 1S -0.00300 0.00562 0.00514 -0.00155 0.01145 62 2S 0.00650 -0.01505 -0.01443 0.00592 -0.02805 63 2PX -0.00839 0.02187 -0.00068 -0.01088 0.03290 64 2PY -0.00131 0.00318 0.00228 0.00421 0.00689 65 2PZ -0.01208 0.03132 0.04903 -0.00703 0.02307 66 3S 0.00759 -0.01647 0.00175 -0.01090 -0.07811 67 3PX -0.00454 0.00903 -0.00129 -0.00744 0.01497 68 3PY -0.00411 0.00872 0.00734 0.00450 0.02096 69 3PZ -0.00802 0.01864 0.04076 0.00837 0.02261 70 4XX -0.00114 0.00235 -0.00086 -0.00219 0.00526 71 4YY 0.00068 -0.00152 -0.00310 0.00171 -0.00200 72 4ZZ -0.00030 0.00016 0.00630 -0.00095 -0.00133 73 4XY 0.00024 -0.00073 -0.00134 -0.00013 0.00012 74 4XZ -0.00130 0.00292 -0.00157 -0.00304 0.00928 75 4YZ 0.00054 -0.00141 -0.00384 0.00173 -0.00056 76 6 C 1S 0.01788 -0.03602 -0.05991 0.03621 -0.04301 77 2S -0.03384 0.06176 0.12166 -0.07535 0.08348 78 2PX 0.05515 -0.11749 0.00710 0.13527 -0.24258 79 2PY -0.03906 0.07546 0.13787 -0.05074 0.06403 80 2PZ 0.04364 -0.08980 -0.21174 0.08011 -0.01513 81 3S -0.00917 0.03347 0.13110 -0.05001 0.09080 82 3PX 0.01230 -0.03508 0.04976 0.06233 -0.12907 83 3PY -0.00984 0.02573 0.05358 -0.00540 0.02376 84 3PZ 0.00436 -0.01208 -0.09571 0.03267 0.02877 85 4XX -0.00196 0.00317 -0.01090 -0.00515 0.00700 86 4YY 0.00153 -0.00338 -0.00154 0.01234 -0.00144 87 4ZZ 0.00017 -0.00118 0.00180 -0.00099 -0.01328 88 4XY 0.00334 -0.00665 -0.00345 -0.00259 -0.00806 89 4XZ -0.00415 0.00766 0.00321 -0.00661 0.00046 90 4YZ 0.00299 -0.00599 -0.00806 -0.00166 -0.00179 91 7 H 1S -0.06016 0.11224 -0.13263 -0.13075 -0.18750 92 2S -0.01303 0.02496 -0.12150 -0.11784 -0.18088 93 8 H 1S 0.01228 -0.02562 0.01875 -0.04294 0.01318 94 2S 0.01464 -0.02568 0.03388 -0.08633 0.03937 95 9 H 1S -0.00849 0.01865 0.00146 0.03521 0.00130 96 2S -0.01195 0.02528 0.01055 0.06878 0.00306 97 10 H 1S -0.00059 0.00017 0.00193 0.00229 -0.00061 98 2S -0.00092 -0.00024 0.00533 0.00699 -0.00762 99 11 H 1S -0.00759 0.01927 0.00233 -0.01533 0.03244 100 2S -0.01116 0.02904 -0.00205 -0.02105 0.07096 101 12 H 1S 0.01211 -0.02454 -0.02455 0.03575 -0.01201 102 2S 0.01361 -0.02472 -0.04780 0.07142 -0.01045 103 13 H 1S 0.00158 -0.00347 0.02933 0.00309 -0.02865 104 2S 0.00142 -0.00405 0.02930 -0.00013 -0.02535 105 14 H 1S -0.00137 0.00184 -0.00285 -0.00018 0.00657 106 2S -0.00228 0.00336 -0.01502 -0.00379 0.01956 107 15 C 1S -0.00178 0.00269 0.00919 0.00007 -0.00379 108 2S 0.00265 -0.00452 -0.02100 0.00007 0.01060 109 2PX -0.00503 0.01912 0.03137 0.00231 -0.00562 110 2PY -0.00170 0.00504 0.01828 0.00155 -0.01159 111 2PZ 0.00224 -0.00609 -0.00582 -0.00214 -0.00874 112 3S 0.00362 -0.01131 -0.05396 0.00009 0.02764 113 3PX -0.00660 0.01009 0.00585 0.00333 0.00106 114 3PY -0.00256 0.00680 0.01974 -0.00114 -0.01112 115 3PZ 0.00154 -0.01149 -0.02472 -0.00222 -0.00968 116 4XX -0.00079 0.00083 0.00598 0.00039 -0.00412 117 4YY -0.00013 -0.00023 -0.00212 0.00021 0.00109 118 4ZZ -0.00029 0.00012 -0.00135 0.00021 0.00082 119 4XY 0.00016 -0.00026 0.00434 0.00101 -0.00386 120 4XZ -0.00048 0.00093 -0.00196 -0.00047 0.00187 121 4YZ 0.00029 -0.00044 -0.00517 -0.00091 0.00430 122 16 C 1S -0.00069 0.00137 0.01089 0.00262 -0.00738 123 2S 0.00058 -0.00173 -0.02273 -0.00401 0.01701 124 2PX -0.00297 0.00820 0.07781 0.01577 -0.05629 125 2PY -0.00009 -0.00136 -0.01163 -0.00430 0.01176 126 2PZ 0.00128 -0.00391 -0.05907 -0.01022 0.04328 127 3S 0.00390 -0.00677 -0.05255 -0.01291 0.03693 128 3PX -0.00129 0.00638 0.05986 0.01205 -0.04004 129 3PY -0.00151 0.00182 -0.02887 -0.00198 0.02420 130 3PZ 0.00188 -0.00093 -0.04678 -0.01428 0.04463 131 4XX -0.00022 0.00029 0.00077 0.00019 0.00000 132 4YY -0.00006 0.00020 -0.00040 0.00036 0.00041 133 4ZZ -0.00029 0.00039 0.00168 0.00028 -0.00081 134 4XY 0.00007 -0.00073 -0.00112 -0.00003 -0.00003 135 4XZ -0.00015 0.00017 0.00113 0.00034 -0.00070 136 4YZ -0.00021 0.00063 0.00166 0.00047 -0.00061 137 17 C 1S -0.00034 0.00050 0.00186 -0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00524 0.00022 0.00168 139 2PX -0.00090 0.00227 0.00497 -0.00063 -0.00143 140 2PY -0.00109 0.00156 0.00104 -0.00156 0.00200 141 2PZ 0.00032 0.00003 0.00697 0.00135 -0.00801 142 3S 0.00165 -0.00332 -0.01102 0.00436 0.00234 143 3PX 0.00030 -0.00055 0.00236 -0.00139 -0.00356 144 3PY -0.00028 0.00057 0.00142 -0.00024 -0.00168 145 3PZ -0.00027 0.00123 0.01152 0.00191 -0.00961 146 4XX -0.00023 0.00067 0.00161 -0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 -0.00012 0.00031 149 4XY -0.00002 0.00031 -0.00120 -0.00028 0.00135 150 4XZ -0.00003 0.00015 0.00061 0.00025 -0.00047 151 4YZ 0.00011 -0.00011 0.00132 0.00029 -0.00148 152 18 H 1S 0.00040 -0.00107 0.00591 -0.00079 -0.00432 153 2S 0.00059 -0.00059 0.02536 -0.00061 -0.01693 154 19 H 1S 0.00063 -0.00138 -0.00488 -0.00007 0.00086 155 2S 0.00066 -0.00226 -0.01326 -0.00431 0.00874 156 20 H 1S 0.00083 -0.00296 -0.02683 -0.00212 0.02058 157 2S 0.00005 -0.00132 -0.01968 -0.00411 0.00494 158 21 O 1S 0.00025 -0.00140 -0.00322 0.00047 0.00087 159 2S -0.00129 0.00318 0.00264 -0.00153 0.00027 160 2PX 0.00317 -0.01246 -0.00852 0.00184 -0.00689 161 2PY 0.00082 0.00223 0.00006 0.00070 -0.00067 162 2PZ -0.00062 0.00105 0.00173 0.00194 0.00447 163 3S 0.00114 0.00790 0.03874 -0.00181 -0.01430 164 3PX 0.00189 -0.01050 -0.01370 0.00021 -0.00372 165 3PY 0.00093 0.00179 0.00431 0.00012 -0.00182 166 3PZ -0.00173 0.00209 -0.00205 0.00177 0.00526 167 4XX -0.00008 -0.00055 -0.00230 -0.00019 0.00099 168 4YY -0.00033 -0.00005 -0.00142 -0.00003 0.00070 169 4ZZ -0.00035 0.00000 -0.00131 -0.00040 0.00115 170 4XY 0.00003 -0.00064 -0.00059 0.00017 -0.00032 171 4XZ 0.00017 0.00006 0.00018 -0.00001 0.00009 172 4YZ -0.00007 -0.00021 -0.00132 -0.00016 0.00089 173 22 O 1S 0.00003 0.00038 -0.00238 -0.00041 0.00198 174 2S 0.00010 -0.00105 0.00425 0.00032 -0.00298 175 2PX 0.00146 -0.00392 -0.04303 -0.00711 0.03014 176 2PY 0.00082 0.00067 0.00103 -0.00082 -0.00200 177 2PZ -0.00083 0.00297 0.03259 0.00412 -0.02205 178 3S -0.00062 -0.00216 0.01710 0.00387 -0.01805 179 3PX 0.00134 -0.00261 -0.03879 -0.00824 0.03032 180 3PY 0.00076 0.00013 0.00031 -0.00031 -0.00157 181 3PZ -0.00103 0.00346 0.03012 0.00421 -0.01982 182 4XX 0.00009 -0.00010 -0.00275 -0.00069 0.00236 183 4YY 0.00004 0.00005 -0.00045 -0.00012 0.00073 184 4ZZ 0.00015 -0.00011 0.00128 -0.00009 -0.00096 185 4XY -0.00003 0.00009 0.00141 0.00026 -0.00123 186 4XZ 0.00002 -0.00004 0.00042 0.00002 -0.00035 187 4YZ -0.00002 0.00009 -0.00003 0.00013 0.00002 188 23 H 1S -0.00094 0.00273 0.00763 0.00022 -0.00253 189 2S -0.00200 0.00547 0.01682 0.00112 -0.00554 6 7 8 9 10 6 3S 0.25009 7 3PX -0.00529 0.12000 8 3PY 0.00772 0.02131 0.06237 9 3PZ -0.01273 -0.06577 -0.01396 0.09328 10 4XX -0.00562 0.00526 0.00007 -0.00248 0.00092 11 4YY -0.00311 -0.00157 0.00297 0.00079 -0.00023 12 4ZZ -0.00246 -0.00264 -0.00301 0.00046 0.00022 13 4XY 0.00261 0.00016 -0.00037 -0.00330 -0.00019 14 4XZ 0.00814 -0.00040 -0.00261 -0.00111 -0.00007 15 4YZ 0.00706 -0.00159 0.00072 -0.00212 0.00003 16 2 C 1S -0.00467 0.00094 -0.01400 -0.00371 0.00249 17 2S 0.03451 0.00533 0.04348 0.00940 -0.00552 18 2PX -0.00798 0.08530 -0.01552 -0.04784 0.00010 19 2PY -0.12660 0.01487 -0.09115 0.01854 0.00873 20 2PZ 0.05753 -0.03723 0.01190 0.07391 -0.00017 21 3S -0.01750 -0.01591 0.01403 0.02529 -0.00630 22 3PX -0.01591 0.04727 -0.01987 -0.03342 -0.00086 23 3PY -0.01404 0.01988 -0.01363 0.00057 0.00383 24 3PZ 0.02529 -0.03342 -0.00058 0.04480 0.00015 25 4XX -0.00630 -0.00086 -0.00383 0.00015 0.00022 26 4YY 0.01205 -0.00009 0.00269 -0.00090 -0.00029 27 4ZZ -0.00574 0.00114 -0.00259 -0.00106 0.00036 28 4XY 0.00225 -0.00623 -0.00083 0.00341 -0.00031 29 4XZ -0.00359 0.00029 -0.00186 0.00022 0.00000 30 4YZ 0.00428 0.00435 0.00193 -0.00545 0.00020 31 3 C 1S -0.00303 -0.00672 0.00510 -0.00511 0.00018 32 2S -0.01977 0.00622 -0.01885 -0.00130 -0.00040 33 2PX -0.05035 -0.04990 -0.02124 -0.00967 -0.00314 34 2PY 0.09132 0.00084 0.05080 -0.00106 0.00096 35 2PZ -0.01049 0.00962 0.00766 -0.02947 0.00187 36 3S -0.00893 -0.00720 -0.01227 -0.00387 0.00001 37 3PX -0.03723 -0.03354 -0.01961 0.00655 -0.00305 38 3PY 0.02368 -0.00136 0.00590 0.00062 -0.00037 39 3PZ 0.01303 0.03090 0.01856 -0.02248 0.00162 40 4XX -0.00039 -0.00408 -0.00039 0.00387 0.00008 41 4YY 0.00672 0.00057 0.00498 -0.00061 -0.00015 42 4ZZ -0.00419 0.00209 -0.00246 -0.00267 0.00001 43 4XY 0.00341 0.00024 0.00201 0.00151 -0.00021 44 4XZ -0.00159 0.00231 -0.00038 -0.00107 0.00001 45 4YZ 0.00237 0.00190 0.00139 -0.00022 -0.00008 46 4 C 1S 0.01091 0.00010 0.00349 0.00343 0.00000 47 2S -0.02105 0.00217 -0.00597 -0.00989 0.00002 48 2PX 0.01312 -0.00580 0.01726 0.00098 0.00032 49 2PY 0.01905 0.01994 -0.00708 -0.00331 0.00082 50 2PZ 0.07872 0.00221 0.02448 0.03397 -0.00066 51 3S -0.06109 -0.01894 -0.02946 -0.00435 -0.00151 52 3PX 0.00820 -0.00075 0.00912 -0.00002 0.00052 53 3PY 0.01690 0.01748 -0.00055 -0.00540 0.00108 54 3PZ 0.04098 0.00211 0.01698 0.01557 -0.00033 55 4XX 0.00343 0.00067 0.00109 0.00115 0.00006 56 4YY 0.00111 0.00062 0.00183 -0.00139 0.00004 57 4ZZ -0.00283 -0.00075 -0.00254 0.00033 -0.00006 58 4XY -0.00078 -0.00013 0.00123 -0.00081 -0.00002 59 4XZ -0.00001 0.00164 0.00060 -0.00082 0.00009 60 4YZ 0.00127 0.00001 0.00086 0.00131 0.00003 61 5 C 1S 0.00523 0.00086 -0.00403 0.00805 -0.00046 62 2S -0.00898 0.00033 0.00849 -0.01522 0.00036 63 2PX 0.02770 -0.00835 -0.02936 0.02849 -0.00027 64 2PY -0.00917 -0.00778 0.00647 0.00236 -0.00009 65 2PZ 0.00219 0.01027 -0.03195 -0.00730 -0.00133 66 3S 0.01674 0.02532 0.02144 -0.03850 0.00276 67 3PX 0.00631 -0.00640 -0.01540 0.01190 -0.00006 68 3PY 0.01091 -0.00283 0.00708 0.00932 0.00007 69 3PZ -0.00610 0.00785 -0.01122 -0.00484 -0.00042 70 4XX 0.00156 -0.00186 -0.00296 0.00260 -0.00019 71 4YY -0.00276 -0.00146 -0.00003 -0.00033 -0.00015 72 4ZZ 0.00089 0.00367 0.00189 -0.00192 0.00036 73 4XY -0.00124 -0.00085 0.00104 -0.00037 -0.00004 74 4XZ 0.00203 -0.00284 -0.00235 0.00493 -0.00027 75 4YZ 0.00073 -0.00128 0.00183 0.00127 -0.00005 76 6 C 1S 0.01167 -0.00739 0.00604 0.00475 -0.00160 77 2S 0.01681 0.03363 -0.00949 0.00613 0.00278 78 2PX -0.04581 0.07528 0.09237 -0.09987 0.00836 79 2PY 0.10482 0.06146 0.00968 0.00561 0.00424 80 2PZ -0.05015 -0.08999 0.03204 0.03877 -0.00521 81 3S -0.02631 0.02878 -0.00108 0.00198 0.00396 82 3PX 0.00784 0.06574 0.05178 -0.06093 0.00568 83 3PY 0.01880 0.01760 0.00217 -0.00261 0.00159 84 3PZ -0.00661 -0.05088 -0.00023 0.03336 -0.00484 85 4XX 0.00431 -0.00751 -0.00330 0.00592 -0.00025 86 4YY -0.00596 -0.00072 0.00312 -0.00082 -0.00024 87 4ZZ 0.00227 0.00471 0.00133 -0.00632 0.00025 88 4XY -0.00401 0.00042 0.00006 -0.00233 0.00028 89 4XZ 0.00598 0.00115 -0.00283 -0.00064 -0.00010 90 4YZ -0.00437 -0.00323 0.00034 0.00096 0.00001 91 7 H 1S 0.11509 -0.03241 -0.03911 -0.05972 -0.00192 92 2S 0.05423 -0.01788 -0.02558 -0.05145 0.00069 93 8 H 1S -0.06039 -0.00249 -0.01989 -0.00279 0.00081 94 2S -0.06761 -0.00573 -0.03824 0.00226 0.00160 95 9 H 1S 0.05609 0.00088 0.03258 -0.00069 -0.00029 96 2S 0.06422 0.00665 0.04801 -0.00210 -0.00007 97 10 H 1S 0.01949 0.00705 0.01408 0.00038 0.00055 98 2S 0.02803 0.01617 0.02155 -0.00397 0.00080 99 11 H 1S 0.01770 -0.00668 -0.02873 0.01867 -0.00089 100 2S 0.02303 -0.01668 -0.03782 0.03878 -0.00252 101 12 H 1S -0.06200 -0.01712 0.00229 -0.00667 -0.00145 102 2S -0.05922 -0.02896 0.00593 -0.00120 -0.00308 103 13 H 1S -0.01230 0.01935 0.00436 -0.03018 0.00081 104 2S -0.01121 0.01789 0.00456 -0.02563 0.00164 105 14 H 1S 0.02056 0.00050 -0.00488 0.01533 -0.00054 106 2S 0.01847 -0.01192 -0.00768 0.02316 -0.00055 107 15 C 1S 0.00660 0.00950 -0.00149 -0.00354 -0.00071 108 2S -0.01526 -0.02241 0.00030 0.00661 0.00088 109 2PX -0.01133 0.02166 -0.01371 -0.02091 -0.00527 110 2PY 0.00914 0.01859 -0.00229 -0.01558 -0.00107 111 2PZ -0.00463 -0.01003 0.00720 0.00056 0.00439 112 3S -0.00267 -0.04285 0.01053 0.02490 0.00169 113 3PX -0.00189 0.00789 -0.00921 -0.00564 -0.00394 114 3PY 0.00725 0.01495 -0.00064 -0.01187 -0.00085 115 3PZ 0.00411 -0.01273 0.00996 0.00643 0.00308 116 4XX -0.00147 0.00315 0.00123 -0.00385 0.00026 117 4YY 0.00113 -0.00074 -0.00027 0.00119 -0.00010 118 4ZZ 0.00123 -0.00018 -0.00052 0.00131 -0.00016 119 4XY 0.00143 0.00423 0.00158 -0.00242 0.00005 120 4XZ -0.00108 -0.00206 -0.00124 0.00098 -0.00017 121 4YZ -0.00187 -0.00491 -0.00049 0.00297 -0.00001 122 16 C 1S 0.00207 0.00807 0.00240 -0.00513 -0.00017 123 2S 0.00404 -0.01433 -0.00315 0.01321 0.00011 124 2PX 0.03491 0.07599 0.02114 -0.03844 -0.00104 125 2PY -0.00094 -0.01105 0.00159 0.01328 0.00105 126 2PZ -0.02183 -0.05769 -0.01045 0.03310 0.00011 127 3S -0.01672 -0.04058 -0.01633 0.02603 0.00024 128 3PX 0.01873 0.05288 0.01493 -0.03146 0.00003 129 3PY 0.00030 -0.02554 0.00055 0.01794 0.00019 130 3PZ -0.02370 -0.04985 -0.01447 0.02776 -0.00002 131 4XX -0.00099 -0.00035 -0.00038 0.00045 -0.00005 132 4YY -0.00034 -0.00066 0.00015 -0.00027 0.00002 133 4ZZ 0.00145 0.00194 0.00056 -0.00077 -0.00002 134 4XY 0.00062 -0.00072 0.00100 0.00074 0.00027 135 4XZ 0.00230 0.00173 0.00120 0.00001 0.00005 136 4YZ 0.00015 0.00124 -0.00023 -0.00098 -0.00026 137 17 C 1S 0.00279 0.00243 -0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00495 0.00172 0.00178 0.00027 139 2PX 0.01185 0.00676 -0.00378 -0.00028 -0.00038 140 2PY 0.00972 0.00404 -0.00215 0.00346 -0.00024 141 2PZ -0.00517 0.00460 0.00089 -0.00843 -0.00017 142 3S -0.00761 -0.00954 0.00351 0.00352 0.00052 143 3PX 0.00088 0.00233 -0.00134 -0.00239 0.00000 144 3PY -0.00171 0.00068 -0.00042 -0.00243 0.00004 145 3PZ 0.00308 0.01175 0.00035 -0.00791 -0.00057 146 4XX 0.00205 0.00194 -0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 -0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 0.00042 -0.00013 0.00010 149 4XY -0.00118 -0.00160 -0.00109 0.00084 -0.00006 150 4XZ -0.00047 0.00030 0.00028 -0.00039 -0.00001 151 4YZ -0.00189 0.00040 0.00074 -0.00206 0.00009 152 18 H 1S 0.00813 0.00940 0.00345 -0.00179 0.00094 153 2S 0.00617 0.02183 0.00528 -0.01227 0.00117 154 19 H 1S -0.01206 -0.00794 0.00186 -0.00143 0.00039 155 2S -0.01737 -0.01862 0.00056 0.00370 0.00096 156 20 H 1S -0.00649 -0.02164 -0.00339 0.01689 -0.00102 157 2S -0.00200 -0.01156 -0.00512 0.00920 -0.00139 158 21 O 1S 0.00079 -0.00142 0.00426 0.00192 0.00007 159 2S -0.00745 -0.00210 -0.00988 -0.00330 -0.00017 160 2PX -0.01266 -0.00817 0.01627 -0.00864 0.00236 161 2PY -0.03844 -0.01578 0.00470 -0.01122 0.00047 162 2PZ 0.04571 0.02054 -0.00925 0.01854 -0.00184 163 3S 0.00169 0.02453 -0.01276 -0.01834 -0.00011 164 3PX -0.01067 -0.01123 0.01247 -0.00387 0.00200 165 3PY -0.02536 -0.00766 0.00282 -0.00921 0.00036 166 3PZ 0.03137 0.01284 -0.00865 0.01389 -0.00202 167 4XX 0.00069 -0.00147 0.00013 0.00156 0.00013 168 4YY -0.00216 -0.00173 0.00044 0.00006 0.00000 169 4ZZ -0.00044 -0.00103 -0.00032 0.00067 -0.00012 170 4XY 0.00004 -0.00020 0.00066 -0.00002 0.00009 171 4XZ -0.00101 -0.00032 -0.00012 -0.00034 -0.00002 172 4YZ 0.00163 -0.00030 -0.00037 0.00151 -0.00002 173 22 O 1S -0.00543 -0.00314 -0.00232 0.00043 0.00000 174 2S 0.01365 0.00674 0.00621 0.00085 0.00009 175 2PX -0.02271 -0.04386 -0.01548 0.02318 0.00031 176 2PY -0.01674 -0.00766 -0.00397 -0.01235 0.00001 177 2PZ 0.01045 0.03158 0.00332 -0.02613 -0.00068 178 3S 0.01897 0.01954 0.00641 -0.00831 -0.00044 179 3PX -0.01853 -0.03921 -0.01308 0.02231 0.00021 180 3PY -0.01304 -0.00583 -0.00226 -0.00876 0.00012 181 3PZ 0.01212 0.02958 0.00470 -0.02175 -0.00053 182 4XX -0.00048 -0.00241 -0.00063 0.00160 0.00002 183 4YY 0.00033 -0.00017 0.00018 0.00088 0.00002 184 4ZZ -0.00012 0.00105 0.00029 -0.00081 0.00007 185 4XY 0.00098 0.00170 0.00061 -0.00083 -0.00003 186 4XZ 0.00059 0.00058 0.00016 -0.00001 0.00001 187 4YZ 0.00005 -0.00005 -0.00005 0.00032 -0.00003 188 23 H 1S 0.01089 0.00930 -0.00200 -0.00085 -0.00050 189 2S 0.01796 0.01861 -0.00258 -0.00354 -0.00101 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 0.00032 0.00095 14 4XZ -0.00048 0.00026 0.00017 0.00067 15 4YZ -0.00014 0.00011 0.00042 0.00028 0.00117 16 2 C 1S -0.00695 0.00269 0.00016 0.00058 0.00018 17 2S 0.01218 -0.00612 0.00021 -0.00150 0.00010 18 2PX 0.00108 0.00091 0.01297 0.00061 0.00005 19 2PY -0.00580 0.00925 -0.00146 0.00312 0.00021 20 2PZ 0.00050 -0.00154 -0.00018 0.00043 0.01358 21 3S 0.01205 -0.00574 -0.00225 -0.00359 -0.00428 22 3PX -0.00009 0.00114 0.00623 0.00029 -0.00435 23 3PY -0.00269 0.00259 -0.00083 0.00186 0.00192 24 3PZ -0.00090 -0.00105 -0.00341 0.00022 0.00545 25 4XX -0.00029 0.00036 0.00031 0.00000 -0.00020 26 4YY -0.00016 -0.00028 -0.00013 0.00023 0.00009 27 4ZZ -0.00028 0.00033 -0.00028 0.00005 -0.00003 28 4XY 0.00013 0.00028 0.00043 0.00005 0.00050 29 4XZ 0.00023 0.00005 -0.00005 0.00004 -0.00011 30 4YZ -0.00009 0.00003 0.00050 0.00011 0.00081 31 3 C 1S -0.00096 -0.00025 -0.00180 -0.00008 -0.00116 32 2S 0.00214 0.00080 0.00376 0.00016 0.00224 33 2PX -0.00147 0.00075 0.00179 -0.00173 -0.01077 34 2PY -0.00421 -0.00076 -0.00591 0.00001 -0.00219 35 2PZ -0.00324 -0.00147 -0.00819 -0.00049 0.00079 36 3S 0.00135 0.00112 0.00563 0.00037 0.00433 37 3PX 0.00079 0.00046 0.00236 -0.00133 -0.00703 38 3PY -0.00088 0.00001 -0.00276 -0.00020 -0.00146 39 3PZ -0.00087 -0.00208 -0.00457 -0.00042 0.00175 40 4XX 0.00005 -0.00004 -0.00039 -0.00001 0.00032 41 4YY -0.00003 -0.00027 -0.00013 -0.00009 -0.00012 42 4ZZ -0.00001 0.00015 0.00015 -0.00001 -0.00047 43 4XY 0.00031 -0.00018 0.00009 -0.00005 0.00023 44 4XZ 0.00021 0.00003 0.00008 0.00004 0.00001 45 4YZ 0.00023 -0.00018 0.00029 -0.00004 0.00003 46 4 C 1S -0.00020 -0.00037 0.00004 0.00009 0.00021 47 2S 0.00036 0.00057 -0.00040 -0.00017 -0.00066 48 2PX 0.00065 -0.00085 -0.00037 -0.00006 0.00122 49 2PY -0.00190 0.00047 0.00034 0.00073 -0.00083 50 2PZ 0.00059 -0.00074 0.00159 0.00000 0.00020 51 3S 0.00205 0.00193 0.00050 -0.00079 -0.00335 52 3PX -0.00004 -0.00043 -0.00021 0.00014 0.00073 53 3PY -0.00223 0.00055 0.00015 0.00102 -0.00066 54 3PZ 0.00057 -0.00068 0.00145 -0.00003 0.00060 55 4XX 0.00000 -0.00005 -0.00006 0.00003 0.00020 56 4YY -0.00008 0.00000 -0.00012 0.00001 0.00000 57 4ZZ 0.00004 0.00005 0.00026 -0.00002 -0.00013 58 4XY 0.00002 0.00008 0.00008 0.00002 0.00000 59 4XZ 0.00005 -0.00005 -0.00014 0.00004 0.00038 60 4YZ -0.00008 0.00019 0.00027 0.00018 0.00006 61 5 C 1S 0.00081 -0.00156 -0.00079 -0.00073 -0.00027 62 2S -0.00158 0.00302 0.00173 0.00157 0.00069 63 2PX 0.00138 -0.00377 -0.00102 -0.00129 -0.00015 64 2PY 0.00124 -0.00210 -0.00250 -0.00115 0.00024 65 2PZ 0.00397 -0.00733 -0.00401 -0.00608 -0.00074 66 3S -0.00435 0.00350 0.00172 0.00278 0.00357 67 3PX 0.00070 -0.00170 -0.00039 -0.00059 -0.00017 68 3PY -0.00008 -0.00119 -0.00209 -0.00026 -0.00024 69 3PZ 0.00203 -0.00435 -0.00270 -0.00305 -0.00127 70 4XX 0.00007 -0.00013 -0.00006 -0.00013 -0.00012 71 4YY 0.00035 -0.00005 0.00000 -0.00017 -0.00008 72 4ZZ -0.00033 0.00002 -0.00010 0.00024 0.00004 73 4XY 0.00002 0.00015 0.00001 0.00004 -0.00002 74 4XZ -0.00010 0.00019 0.00001 0.00024 -0.00032 75 4YZ 0.00011 0.00019 0.00008 0.00012 -0.00005 76 6 C 1S 0.00118 -0.00024 0.00373 -0.00330 0.00332 77 2S -0.00344 0.00008 -0.00671 0.00637 -0.00626 78 2PX 0.00219 -0.00219 0.00235 -0.00296 0.00857 79 2PY -0.01331 0.00189 0.00163 0.00724 0.00162 80 2PZ 0.00246 0.01017 0.00838 0.00074 0.00096 81 3S -0.00287 -0.00162 -0.00854 0.00402 -0.00762 82 3PX -0.00025 -0.00269 -0.00001 -0.00054 0.00548 83 3PY -0.00408 -0.00056 0.00027 0.00162 0.00013 84 3PZ 0.00198 0.00448 0.00454 0.00042 -0.00162 85 4XX -0.00020 0.00012 0.00005 0.00004 0.00034 86 4YY 0.00096 -0.00047 -0.00024 -0.00056 -0.00029 87 4ZZ -0.00037 0.00030 0.00056 0.00018 0.00043 88 4XY -0.00009 0.00028 0.00027 -0.00003 0.00026 89 4XZ -0.00031 0.00010 0.00010 0.00045 -0.00003 90 4YZ 0.00002 0.00044 0.00010 0.00005 0.00013 91 7 H 1S -0.00407 0.00551 0.00785 0.00828 0.01087 92 2S -0.00362 0.00647 0.00774 0.00608 0.01062 93 8 H 1S 0.00186 0.00079 -0.00512 -0.00002 -0.00716 94 2S -0.00151 0.00192 -0.00529 0.00049 -0.00783 95 9 H 1S -0.00127 -0.00082 -0.00167 -0.00027 -0.00090 96 2S -0.00118 -0.00192 -0.00249 -0.00048 -0.00055 97 10 H 1S 0.00013 -0.00008 0.00000 0.00035 0.00131 98 2S 0.00006 -0.00013 -0.00028 0.00060 0.00304 99 11 H 1S 0.00033 -0.00156 -0.00015 -0.00073 -0.00083 100 2S 0.00077 -0.00124 -0.00046 -0.00081 -0.00265 101 12 H 1S 0.00806 -0.00273 -0.00411 -0.00313 -0.00349 102 2S 0.00889 -0.00329 -0.00215 -0.00474 -0.00262 103 13 H 1S -0.00014 -0.00072 -0.00062 -0.00133 0.00077 104 2S -0.00013 -0.00169 -0.00141 -0.00151 0.00146 105 14 H 1S -0.00031 0.00069 0.00159 0.00023 -0.00150 106 2S -0.00064 0.00071 0.00181 0.00036 -0.00143 107 15 C 1S 0.00004 -0.00029 0.00017 0.00039 -0.00066 108 2S -0.00016 0.00024 -0.00053 -0.00088 0.00094 109 2PX 0.00263 0.00290 0.00297 0.00048 -0.00435 110 2PY 0.00085 0.00015 0.00044 0.00018 -0.00114 111 2PZ -0.00130 -0.00243 -0.00268 0.00039 0.00363 112 3S -0.00170 0.00040 -0.00083 -0.00036 0.00242 113 3PX 0.00184 0.00224 0.00266 0.00043 -0.00313 114 3PY -0.00011 0.00090 0.00134 0.00057 -0.00123 115 3PZ -0.00116 -0.00129 -0.00150 0.00028 0.00358 116 4XX -0.00010 -0.00022 -0.00008 0.00007 0.00014 117 4YY 0.00008 0.00001 0.00001 -0.00004 -0.00004 118 4ZZ 0.00007 0.00017 0.00011 0.00001 -0.00009 119 4XY 0.00004 -0.00002 -0.00003 0.00000 0.00001 120 4XZ 0.00010 0.00012 0.00007 -0.00003 -0.00009 121 4YZ -0.00007 0.00000 0.00001 -0.00008 0.00002 122 16 C 1S -0.00007 -0.00009 0.00015 0.00014 -0.00012 123 2S 0.00011 0.00012 -0.00040 -0.00022 0.00031 124 2PX 0.00086 0.00078 0.00032 0.00094 -0.00042 125 2PY -0.00089 -0.00044 -0.00083 0.00027 0.00109 126 2PZ -0.00024 -0.00055 0.00062 -0.00048 -0.00030 127 3S 0.00068 -0.00088 -0.00199 -0.00100 0.00083 128 3PX 0.00029 0.00002 -0.00069 0.00051 0.00006 129 3PY -0.00078 0.00009 -0.00034 0.00015 0.00064 130 3PZ -0.00031 -0.00039 -0.00057 -0.00056 -0.00063 131 4XX 0.00003 -0.00002 0.00023 0.00002 -0.00018 132 4YY 0.00000 -0.00001 -0.00009 -0.00003 0.00004 133 4ZZ -0.00001 0.00004 -0.00008 0.00004 0.00003 134 4XY -0.00012 -0.00015 -0.00017 0.00000 0.00028 135 4XZ -0.00001 -0.00003 -0.00010 0.00003 0.00011 136 4YZ 0.00010 0.00014 0.00022 -0.00001 -0.00028 137 17 C 1S -0.00001 -0.00005 0.00008 0.00009 -0.00010 138 2S -0.00017 0.00000 -0.00016 -0.00011 0.00026 139 2PX 0.00030 0.00020 0.00013 0.00023 -0.00037 140 2PY -0.00004 -0.00020 -0.00006 0.00024 -0.00018 141 2PZ 0.00010 0.00011 0.00029 0.00014 -0.00024 142 3S -0.00031 -0.00026 -0.00027 -0.00021 0.00048 143 3PX -0.00001 0.00012 0.00013 0.00011 -0.00014 144 3PY 0.00003 -0.00003 -0.00009 0.00008 0.00011 145 3PZ 0.00029 0.00067 0.00046 0.00021 -0.00057 146 4XX 0.00009 0.00013 0.00005 0.00004 -0.00009 147 4YY -0.00002 0.00000 -0.00001 -0.00002 -0.00002 148 4ZZ -0.00006 -0.00011 -0.00004 -0.00001 0.00009 149 4XY 0.00004 0.00008 0.00006 -0.00002 -0.00010 150 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 151 4YZ -0.00003 -0.00004 -0.00007 -0.00001 0.00012 152 18 H 1S -0.00043 -0.00017 -0.00129 0.00016 0.00121 153 2S -0.00052 -0.00024 -0.00125 0.00024 0.00070 154 19 H 1S -0.00023 -0.00041 -0.00014 -0.00006 0.00038 155 2S -0.00051 -0.00114 -0.00053 -0.00017 0.00089 156 20 H 1S 0.00002 0.00110 0.00076 -0.00068 -0.00057 157 2S 0.00026 0.00140 0.00166 -0.00025 -0.00089 158 21 O 1S -0.00006 -0.00013 0.00001 -0.00007 0.00018 159 2S 0.00022 0.00056 0.00003 0.00008 -0.00030 160 2PX -0.00167 -0.00253 -0.00170 -0.00035 0.00253 161 2PY 0.00014 0.00020 -0.00006 -0.00047 0.00051 162 2PZ 0.00100 0.00209 0.00139 0.00009 -0.00235 163 3S 0.00019 0.00009 -0.00011 0.00016 -0.00123 164 3PX -0.00128 -0.00180 -0.00141 -0.00017 0.00239 165 3PY 0.00012 0.00005 -0.00014 -0.00034 0.00031 166 3PZ 0.00108 0.00199 0.00138 0.00012 -0.00209 167 4XX -0.00005 -0.00002 -0.00009 0.00000 0.00014 168 4YY 0.00002 0.00003 0.00000 -0.00002 0.00005 169 4ZZ 0.00001 0.00007 0.00009 0.00001 -0.00008 170 4XY -0.00007 -0.00009 -0.00006 0.00000 0.00010 171 4XZ 0.00001 0.00003 0.00001 -0.00002 -0.00002 172 4YZ 0.00000 0.00006 0.00002 0.00001 -0.00002 173 22 O 1S -0.00004 0.00000 -0.00015 -0.00004 0.00002 174 2S 0.00004 -0.00011 0.00016 0.00009 0.00007 175 2PX -0.00041 -0.00058 0.00003 -0.00051 -0.00033 176 2PY 0.00024 0.00028 0.00001 -0.00026 -0.00006 177 2PZ 0.00034 0.00066 -0.00025 0.00007 -0.00020 178 3S 0.00028 0.00054 0.00178 0.00022 -0.00067 179 3PX -0.00031 -0.00046 -0.00025 -0.00043 -0.00026 180 3PY 0.00018 0.00004 -0.00020 -0.00024 0.00007 181 3PZ 0.00030 0.00051 -0.00043 0.00015 -0.00008 182 4XX -0.00002 -0.00001 -0.00007 -0.00002 0.00004 183 4YY -0.00002 -0.00004 -0.00007 0.00000 0.00003 184 4ZZ -0.00002 -0.00003 -0.00009 0.00001 0.00008 185 4XY 0.00003 0.00003 0.00002 0.00002 0.00001 186 4XZ 0.00000 0.00000 0.00001 0.00001 0.00001 187 4YZ 0.00002 0.00000 0.00006 0.00000 -0.00005 188 23 H 1S 0.00037 0.00047 0.00021 0.00017 -0.00044 189 2S 0.00070 0.00082 0.00047 0.00027 -0.00086 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.06213 0.32496 18 2PX 0.00133 0.00226 0.36896 19 2PY -0.00053 -0.00162 -0.00011 0.41335 20 2PZ -0.00083 0.00777 0.03332 0.00266 0.39023 21 3S -0.16067 0.24765 -0.01951 -0.01122 -0.02947 22 3PX 0.00664 -0.02275 0.18141 -0.01273 -0.07523 23 3PY -0.00378 0.01622 -0.01321 0.13842 0.02578 24 3PZ 0.00494 -0.01459 -0.05969 0.00572 0.16792 25 4XX -0.01431 -0.00947 0.00801 0.00593 -0.00344 26 4YY -0.01700 -0.00308 -0.00428 -0.01307 -0.00040 27 4ZZ -0.01612 -0.00535 -0.00689 0.01026 -0.00256 28 4XY 0.00088 -0.00123 0.00498 0.00024 0.01075 29 4XZ -0.00455 0.00944 -0.00068 0.00920 -0.00219 30 4YZ 0.00203 -0.00342 0.00949 -0.00196 0.01031 31 3 C 1S 0.01788 -0.03602 -0.05991 -0.03620 -0.04301 32 2S -0.03384 0.06176 0.12166 0.07534 0.08349 33 2PX 0.05515 -0.11749 0.00710 -0.13523 -0.24260 34 2PY 0.03905 -0.07545 -0.13784 -0.05071 -0.06403 35 2PZ 0.04365 -0.08981 -0.21176 -0.08012 -0.01516 36 3S -0.00917 0.03347 0.13110 0.04999 0.09081 37 3PX 0.01230 -0.03508 0.04976 -0.06231 -0.12908 38 3PY 0.00984 -0.02573 -0.05356 -0.00539 -0.02377 39 3PZ 0.00436 -0.01209 -0.09572 -0.03267 0.02876 40 4XX -0.00196 0.00317 -0.01090 0.00515 0.00700 41 4YY 0.00153 -0.00338 -0.00154 -0.01234 -0.00144 42 4ZZ 0.00017 -0.00118 0.00180 0.00100 -0.01328 43 4XY -0.00334 0.00665 0.00345 -0.00259 0.00806 44 4XZ -0.00415 0.00766 0.00321 0.00661 0.00047 45 4YZ -0.00299 0.00599 0.00806 -0.00166 0.00180 46 4 C 1S -0.00300 0.00562 0.00514 0.00155 0.01145 47 2S 0.00650 -0.01505 -0.01443 -0.00592 -0.02805 48 2PX -0.00839 0.02187 -0.00068 0.01087 0.03290 49 2PY 0.00131 -0.00319 -0.00229 0.00421 -0.00689 50 2PZ -0.01208 0.03132 0.04903 0.00703 0.02307 51 3S 0.00759 -0.01647 0.00175 0.01091 -0.07811 52 3PX -0.00454 0.00903 -0.00129 0.00744 0.01497 53 3PY 0.00411 -0.00872 -0.00735 0.00451 -0.02096 54 3PZ -0.00802 0.01863 0.04076 -0.00838 0.02260 55 4XX -0.00114 0.00235 -0.00086 0.00219 0.00526 56 4YY 0.00068 -0.00152 -0.00310 -0.00171 -0.00200 57 4ZZ -0.00030 0.00016 0.00630 0.00095 -0.00133 58 4XY -0.00024 0.00073 0.00134 -0.00013 -0.00012 59 4XZ -0.00130 0.00293 -0.00157 0.00304 0.00928 60 4YZ -0.00054 0.00141 0.00384 0.00173 0.00056 61 5 C 1S -0.00267 0.00503 0.00128 -0.00375 0.00577 62 2S 0.00479 -0.00883 0.00214 0.00681 -0.01508 63 2PX -0.00207 0.00444 -0.00674 -0.00763 0.00880 64 2PY 0.00390 -0.00856 -0.02849 -0.01160 -0.00381 65 2PZ -0.00787 0.01255 -0.01133 -0.02367 0.02037 66 3S 0.01324 -0.02297 -0.02357 0.03019 -0.00944 67 3PX -0.00106 0.00172 -0.00051 -0.00183 0.00166 68 3PY 0.00348 -0.00738 -0.02761 -0.00891 0.00192 69 3PZ -0.00485 0.00736 -0.00615 -0.02432 0.00453 70 4XX -0.00029 0.00034 -0.00037 0.00022 0.00077 71 4YY -0.00010 0.00024 0.00060 -0.00192 -0.00177 72 4ZZ 0.00024 -0.00041 0.00010 0.00197 0.00059 73 4XY -0.00007 0.00035 0.00023 0.00100 0.00059 74 4XZ 0.00019 -0.00044 0.00102 0.00088 -0.00064 75 4YZ -0.00020 0.00082 0.00128 0.00015 0.00008 76 6 C 1S -0.00340 0.00831 0.00083 -0.01224 0.00587 77 2S 0.00823 -0.01879 -0.00174 0.03290 -0.01500 78 2PX -0.00832 0.02655 -0.00638 -0.03169 0.02711 79 2PY 0.01167 -0.02675 -0.00246 0.03374 -0.00710 80 2PZ -0.00446 0.01368 0.02038 -0.01505 -0.00551 81 3S 0.00597 -0.02039 -0.03770 0.02416 -0.04546 82 3PX -0.00436 0.01395 -0.00491 -0.01849 0.03621 83 3PY 0.00283 -0.01068 -0.00153 -0.00563 -0.01117 84 3PZ -0.00411 0.00852 0.03958 -0.02545 -0.01414 85 4XX 0.00055 -0.00122 -0.00654 0.00245 0.00489 86 4YY -0.00184 0.00439 0.00163 -0.00978 0.00043 87 4ZZ 0.00071 -0.00116 0.00388 0.00242 -0.00350 88 4XY 0.00099 -0.00185 0.00106 0.00569 -0.00147 89 4XZ 0.00063 -0.00122 0.00247 0.00138 -0.00179 90 4YZ 0.00075 -0.00145 -0.00232 0.00452 0.00111 91 7 H 1S 0.01228 -0.02562 0.01875 0.04294 0.01319 92 2S 0.01464 -0.02568 0.03388 0.08633 0.03938 93 8 H 1S -0.06016 0.11224 -0.13263 0.13078 -0.18748 94 2S -0.01303 0.02496 -0.12150 0.11787 -0.18086 95 9 H 1S 0.01211 -0.02454 -0.02455 -0.03575 -0.01201 96 2S 0.01361 -0.02472 -0.04781 -0.07142 -0.01046 97 10 H 1S -0.00759 0.01927 0.00233 0.01532 0.03244 98 2S -0.01116 0.02904 -0.00205 0.02104 0.07097 99 11 H 1S -0.00059 0.00017 0.00193 -0.00229 -0.00061 100 2S -0.00092 -0.00024 0.00534 -0.00699 -0.00762 101 12 H 1S -0.00849 0.01865 0.00146 -0.03521 0.00130 102 2S -0.01195 0.02528 0.01055 -0.06878 0.00305 103 13 H 1S -0.00137 0.00184 -0.00285 0.00018 0.00657 104 2S -0.00228 0.00336 -0.01502 0.00379 0.01956 105 14 H 1S 0.00158 -0.00347 0.02933 -0.00309 -0.02865 106 2S 0.00142 -0.00405 0.02930 0.00014 -0.02535 107 15 C 1S -0.00069 0.00137 0.01089 -0.00262 -0.00738 108 2S 0.00058 -0.00173 -0.02273 0.00401 0.01701 109 2PX -0.00297 0.00820 0.07781 -0.01576 -0.05629 110 2PY 0.00009 0.00136 0.01164 -0.00430 -0.01177 111 2PZ 0.00128 -0.00391 -0.05907 0.01022 0.04328 112 3S 0.00390 -0.00677 -0.05255 0.01290 0.03693 113 3PX -0.00129 0.00638 0.05986 -0.01205 -0.04004 114 3PY 0.00151 -0.00182 0.02888 -0.00198 -0.02421 115 3PZ 0.00188 -0.00093 -0.04678 0.01428 0.04463 116 4XX -0.00022 0.00029 0.00077 -0.00019 0.00000 117 4YY -0.00006 0.00020 -0.00040 -0.00036 0.00041 118 4ZZ -0.00029 0.00039 0.00168 -0.00028 -0.00081 119 4XY -0.00007 0.00073 0.00112 -0.00003 0.00003 120 4XZ -0.00015 0.00017 0.00113 -0.00034 -0.00070 121 4YZ 0.00021 -0.00063 -0.00166 0.00047 0.00061 122 16 C 1S -0.00178 0.00269 0.00919 -0.00007 -0.00379 123 2S 0.00265 -0.00452 -0.02100 -0.00007 0.01060 124 2PX -0.00503 0.01912 0.03137 -0.00231 -0.00562 125 2PY 0.00170 -0.00504 -0.01828 0.00154 0.01159 126 2PZ 0.00224 -0.00609 -0.00582 0.00214 -0.00873 127 3S 0.00362 -0.01131 -0.05396 -0.00009 0.02764 128 3PX -0.00660 0.01009 0.00585 -0.00333 0.00106 129 3PY 0.00256 -0.00679 -0.01974 -0.00115 0.01112 130 3PZ 0.00154 -0.01149 -0.02472 0.00222 -0.00967 131 4XX -0.00079 0.00083 0.00598 -0.00039 -0.00412 132 4YY -0.00013 -0.00023 -0.00213 -0.00021 0.00109 133 4ZZ -0.00029 0.00012 -0.00135 -0.00021 0.00082 134 4XY -0.00016 0.00026 -0.00434 0.00101 0.00386 135 4XZ -0.00048 0.00093 -0.00196 0.00047 0.00187 136 4YZ -0.00029 0.00044 0.00517 -0.00091 -0.00430 137 17 C 1S -0.00034 0.00050 0.00186 0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00524 -0.00022 0.00168 139 2PX -0.00090 0.00227 0.00497 0.00063 -0.00143 140 2PY 0.00109 -0.00156 -0.00104 -0.00156 -0.00200 141 2PZ 0.00032 0.00003 0.00697 -0.00135 -0.00802 142 3S 0.00165 -0.00332 -0.01102 -0.00436 0.00234 143 3PX 0.00030 -0.00055 0.00236 0.00139 -0.00356 144 3PY 0.00028 -0.00057 -0.00142 -0.00024 0.00168 145 3PZ -0.00027 0.00123 0.01152 -0.00190 -0.00961 146 4XX -0.00023 0.00067 0.00161 0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 -0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 0.00012 0.00031 149 4XY 0.00002 -0.00031 0.00120 -0.00028 -0.00135 150 4XZ -0.00003 0.00015 0.00061 -0.00025 -0.00047 151 4YZ -0.00011 0.00011 -0.00132 0.00029 0.00148 152 18 H 1S 0.00083 -0.00296 -0.02683 0.00212 0.02058 153 2S 0.00005 -0.00132 -0.01968 0.00411 0.00494 154 19 H 1S 0.00063 -0.00138 -0.00488 0.00007 0.00086 155 2S 0.00066 -0.00226 -0.01326 0.00431 0.00874 156 20 H 1S 0.00040 -0.00107 0.00591 0.00079 -0.00432 157 2S 0.00059 -0.00059 0.02536 0.00062 -0.01693 158 21 O 1S 0.00003 0.00038 -0.00238 0.00041 0.00198 159 2S 0.00010 -0.00105 0.00425 -0.00032 -0.00298 160 2PX 0.00146 -0.00392 -0.04303 0.00710 0.03015 161 2PY -0.00082 -0.00067 -0.00104 -0.00082 0.00201 162 2PZ -0.00083 0.00297 0.03259 -0.00411 -0.02205 163 3S -0.00062 -0.00216 0.01710 -0.00387 -0.01805 164 3PX 0.00134 -0.00261 -0.03879 0.00824 0.03032 165 3PY -0.00076 -0.00013 -0.00032 -0.00031 0.00157 166 3PZ -0.00103 0.00346 0.03012 -0.00421 -0.01983 167 4XX 0.00009 -0.00010 -0.00275 0.00069 0.00236 168 4YY 0.00004 0.00005 -0.00045 0.00012 0.00073 169 4ZZ 0.00015 -0.00011 0.00128 0.00009 -0.00096 170 4XY 0.00003 -0.00009 -0.00141 0.00026 0.00123 171 4XZ 0.00002 -0.00004 0.00042 -0.00002 -0.00035 172 4YZ 0.00002 -0.00009 0.00003 0.00013 -0.00002 173 22 O 1S 0.00025 -0.00140 -0.00322 -0.00047 0.00087 174 2S -0.00129 0.00318 0.00264 0.00153 0.00027 175 2PX 0.00317 -0.01246 -0.00852 -0.00184 -0.00689 176 2PY -0.00082 -0.00223 -0.00006 0.00070 0.00067 177 2PZ -0.00062 0.00105 0.00173 -0.00194 0.00447 178 3S 0.00114 0.00790 0.03874 0.00181 -0.01430 179 3PX 0.00189 -0.01051 -0.01370 -0.00021 -0.00372 180 3PY -0.00093 -0.00179 -0.00431 0.00012 0.00182 181 3PZ -0.00173 0.00208 -0.00205 -0.00177 0.00526 182 4XX -0.00008 -0.00055 -0.00230 0.00019 0.00099 183 4YY -0.00033 -0.00005 -0.00142 0.00003 0.00070 184 4ZZ -0.00035 0.00000 -0.00131 0.00040 0.00115 185 4XY -0.00003 0.00064 0.00059 0.00017 0.00032 186 4XZ 0.00017 0.00006 0.00018 0.00001 0.00009 187 4YZ 0.00007 0.00021 0.00132 -0.00016 -0.00089 188 23 H 1S -0.00094 0.00273 0.00763 -0.00022 -0.00253 189 2S -0.00200 0.00547 0.01682 -0.00112 -0.00554 21 22 23 24 25 21 3S 0.25009 22 3PX -0.00529 0.12000 23 3PY -0.00772 -0.02130 0.06236 24 3PZ -0.01273 -0.06577 0.01395 0.09329 25 4XX -0.00562 0.00526 -0.00006 -0.00248 0.00092 26 4YY -0.00311 -0.00157 -0.00297 0.00079 -0.00023 27 4ZZ -0.00246 -0.00264 0.00301 0.00047 0.00022 28 4XY -0.00261 -0.00016 -0.00037 0.00330 0.00019 29 4XZ 0.00814 -0.00040 0.00261 -0.00111 -0.00007 30 4YZ -0.00706 0.00159 0.00072 0.00212 -0.00003 31 3 C 1S 0.01167 -0.00739 -0.00605 0.00475 -0.00160 32 2S 0.01681 0.03363 0.00949 0.00613 0.00278 33 2PX -0.04581 0.07528 -0.09235 -0.09988 0.00836 34 2PY -0.10481 -0.06144 0.00968 -0.00562 -0.00424 35 2PZ -0.05017 -0.09000 -0.03205 0.03877 -0.00521 36 3S -0.02631 0.02878 0.00108 0.00198 0.00396 37 3PX 0.00784 0.06574 -0.05177 -0.06094 0.00568 38 3PY -0.01880 -0.01759 0.00217 0.00261 -0.00159 39 3PZ -0.00662 -0.05088 0.00022 0.03336 -0.00484 40 4XX 0.00431 -0.00751 0.00330 0.00592 -0.00025 41 4YY -0.00597 -0.00072 -0.00312 -0.00082 -0.00024 42 4ZZ 0.00227 0.00471 -0.00133 -0.00632 0.00025 43 4XY 0.00401 -0.00042 0.00006 0.00233 -0.00028 44 4XZ 0.00598 0.00115 0.00283 -0.00064 -0.00010 45 4YZ 0.00437 0.00323 0.00034 -0.00096 -0.00001 46 4 C 1S 0.00523 0.00086 0.00403 0.00805 -0.00046 47 2S -0.00898 0.00033 -0.00849 -0.01522 0.00036 48 2PX 0.02770 -0.00835 0.02936 0.02850 -0.00027 49 2PY 0.00917 0.00778 0.00647 -0.00236 0.00009 50 2PZ 0.00219 0.01028 0.03196 -0.00730 -0.00133 51 3S 0.01674 0.02532 -0.02143 -0.03851 0.00276 52 3PX 0.00631 -0.00640 0.01540 0.01190 -0.00006 53 3PY -0.01091 0.00283 0.00708 -0.00932 -0.00007 54 3PZ -0.00610 0.00785 0.01123 -0.00484 -0.00042 55 4XX 0.00156 -0.00186 0.00296 0.00260 -0.00019 56 4YY -0.00276 -0.00146 0.00003 -0.00033 -0.00015 57 4ZZ 0.00089 0.00367 -0.00188 -0.00192 0.00036 58 4XY 0.00124 0.00085 0.00104 0.00037 0.00004 59 4XZ 0.00203 -0.00284 0.00235 0.00493 -0.00027 60 4YZ -0.00073 0.00128 0.00183 -0.00127 0.00005 61 5 C 1S 0.01091 0.00010 -0.00349 0.00343 0.00000 62 2S -0.02105 0.00217 0.00597 -0.00989 0.00002 63 2PX 0.01312 -0.00580 -0.01726 0.00098 0.00032 64 2PY -0.01907 -0.01994 -0.00708 0.00331 -0.00082 65 2PZ 0.07872 0.00221 -0.02449 0.03397 -0.00066 66 3S -0.06109 -0.01894 0.02946 -0.00435 -0.00151 67 3PX 0.00820 -0.00075 -0.00912 -0.00002 0.00052 68 3PY -0.01691 -0.01748 -0.00055 0.00539 -0.00108 69 3PZ 0.04098 0.00211 -0.01699 0.01557 -0.00033 70 4XX 0.00343 0.00067 -0.00109 0.00115 0.00006 71 4YY 0.00111 0.00062 -0.00183 -0.00139 0.00004 72 4ZZ -0.00283 -0.00075 0.00254 0.00033 -0.00006 73 4XY 0.00078 0.00013 0.00123 0.00081 0.00002 74 4XZ -0.00001 0.00164 -0.00060 -0.00082 0.00009 75 4YZ -0.00127 -0.00001 0.00086 -0.00131 -0.00003 76 6 C 1S -0.00303 -0.00672 -0.00510 -0.00511 0.00018 77 2S -0.01977 0.00622 0.01885 -0.00130 -0.00040 78 2PX -0.05035 -0.04990 0.02124 -0.00967 -0.00314 79 2PY -0.09132 -0.00084 0.05080 0.00108 -0.00096 80 2PZ -0.01051 0.00962 -0.00765 -0.02947 0.00187 81 3S -0.00893 -0.00720 0.01227 -0.00387 0.00001 82 3PX -0.03723 -0.03354 0.01961 0.00655 -0.00305 83 3PY -0.02368 0.00135 0.00591 -0.00062 0.00037 84 3PZ 0.01302 0.03090 -0.01855 -0.02248 0.00163 85 4XX -0.00039 -0.00408 0.00039 0.00387 0.00008 86 4YY 0.00672 0.00057 -0.00498 -0.00061 -0.00015 87 4ZZ -0.00420 0.00209 0.00247 -0.00267 0.00001 88 4XY -0.00341 -0.00024 0.00201 -0.00151 0.00021 89 4XZ -0.00159 0.00231 0.00038 -0.00107 0.00001 90 4YZ -0.00237 -0.00190 0.00139 0.00022 0.00008 91 7 H 1S -0.06039 -0.00249 0.01989 -0.00279 0.00081 92 2S -0.06761 -0.00572 0.03824 0.00226 0.00160 93 8 H 1S 0.11509 -0.03241 0.03912 -0.05971 -0.00192 94 2S 0.05423 -0.01788 0.02558 -0.05144 0.00069 95 9 H 1S -0.06200 -0.01712 -0.00229 -0.00667 -0.00145 96 2S -0.05922 -0.02896 -0.00593 -0.00120 -0.00308 97 10 H 1S 0.01770 -0.00668 0.02873 0.01867 -0.00089 98 2S 0.02303 -0.01668 0.03781 0.03879 -0.00252 99 11 H 1S 0.01949 0.00705 -0.01408 0.00038 0.00055 100 2S 0.02803 0.01617 -0.02155 -0.00398 0.00080 101 12 H 1S 0.05609 0.00088 -0.03258 -0.00069 -0.00029 102 2S 0.06422 0.00665 -0.04800 -0.00210 -0.00007 103 13 H 1S 0.02056 0.00050 0.00488 0.01533 -0.00054 104 2S 0.01847 -0.01192 0.00768 0.02316 -0.00055 105 14 H 1S -0.01230 0.01935 -0.00436 -0.03019 0.00081 106 2S -0.01121 0.01789 -0.00456 -0.02564 0.00164 107 15 C 1S 0.00207 0.00807 -0.00240 -0.00513 -0.00017 108 2S 0.00404 -0.01433 0.00315 0.01321 0.00011 109 2PX 0.03491 0.07599 -0.02114 -0.03844 -0.00104 110 2PY 0.00095 0.01106 0.00159 -0.01328 -0.00105 111 2PZ -0.02183 -0.05769 0.01045 0.03310 0.00011 112 3S -0.01672 -0.04058 0.01633 0.02603 0.00024 113 3PX 0.01873 0.05288 -0.01493 -0.03147 0.00003 114 3PY -0.00030 0.02555 0.00055 -0.01794 -0.00019 115 3PZ -0.02370 -0.04985 0.01446 0.02776 -0.00002 116 4XX -0.00099 -0.00035 0.00038 0.00045 -0.00005 117 4YY -0.00034 -0.00066 -0.00015 -0.00027 0.00002 118 4ZZ 0.00145 0.00194 -0.00056 -0.00077 -0.00002 119 4XY -0.00062 0.00072 0.00100 -0.00074 -0.00027 120 4XZ 0.00230 0.00173 -0.00120 0.00001 0.00005 121 4YZ -0.00015 -0.00124 -0.00023 0.00098 0.00026 122 16 C 1S 0.00660 0.00950 0.00149 -0.00354 -0.00071 123 2S -0.01526 -0.02241 -0.00030 0.00661 0.00088 124 2PX -0.01133 0.02166 0.01372 -0.02091 -0.00527 125 2PY -0.00914 -0.01859 -0.00229 0.01558 0.00107 126 2PZ -0.00464 -0.01003 -0.00721 0.00057 0.00439 127 3S -0.00267 -0.04286 -0.01053 0.02490 0.00169 128 3PX -0.00189 0.00789 0.00921 -0.00564 -0.00394 129 3PY -0.00725 -0.01495 -0.00065 0.01187 0.00084 130 3PZ 0.00411 -0.01273 -0.00996 0.00643 0.00308 131 4XX -0.00147 0.00315 -0.00123 -0.00385 0.00026 132 4YY 0.00113 -0.00075 0.00027 0.00119 -0.00010 133 4ZZ 0.00123 -0.00017 0.00052 0.00131 -0.00016 134 4XY -0.00143 -0.00423 0.00158 0.00243 -0.00005 135 4XZ -0.00108 -0.00206 0.00124 0.00098 -0.00017 136 4YZ 0.00187 0.00491 -0.00049 -0.00297 0.00001 137 17 C 1S 0.00279 0.00243 0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00495 -0.00172 0.00178 0.00027 139 2PX 0.01185 0.00676 0.00378 -0.00028 -0.00038 140 2PY -0.00972 -0.00404 -0.00215 -0.00346 0.00024 141 2PZ -0.00517 0.00460 -0.00088 -0.00843 -0.00017 142 3S -0.00761 -0.00954 -0.00351 0.00352 0.00052 143 3PX 0.00088 0.00233 0.00134 -0.00239 0.00000 144 3PY 0.00171 -0.00068 -0.00042 0.00243 -0.00004 145 3PZ 0.00308 0.01175 -0.00035 -0.00791 -0.00057 146 4XX 0.00205 0.00194 0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 -0.00042 -0.00013 0.00010 149 4XY 0.00118 0.00160 -0.00109 -0.00084 0.00006 150 4XZ -0.00047 0.00030 -0.00028 -0.00039 -0.00001 151 4YZ 0.00189 -0.00040 0.00074 0.00206 -0.00009 152 18 H 1S -0.00649 -0.02164 0.00339 0.01689 -0.00102 153 2S -0.00200 -0.01156 0.00511 0.00920 -0.00139 154 19 H 1S -0.01206 -0.00794 -0.00186 -0.00143 0.00039 155 2S -0.01737 -0.01862 -0.00056 0.00370 0.00096 156 20 H 1S 0.00813 0.00940 -0.00345 -0.00179 0.00094 157 2S 0.00617 0.02183 -0.00528 -0.01227 0.00117 158 21 O 1S -0.00543 -0.00314 0.00232 0.00044 0.00000 159 2S 0.01365 0.00674 -0.00621 0.00084 0.00009 160 2PX -0.02271 -0.04386 0.01548 0.02318 0.00031 161 2PY 0.01673 0.00766 -0.00397 0.01235 -0.00001 162 2PZ 0.01045 0.03158 -0.00332 -0.02612 -0.00068 163 3S 0.01897 0.01954 -0.00641 -0.00831 -0.00044 164 3PX -0.01853 -0.03921 0.01308 0.02231 0.00021 165 3PY 0.01304 0.00582 -0.00226 0.00876 -0.00012 166 3PZ 0.01212 0.02958 -0.00470 -0.02175 -0.00053 167 4XX -0.00048 -0.00241 0.00063 0.00160 0.00002 168 4YY 0.00033 -0.00017 -0.00018 0.00089 0.00002 169 4ZZ -0.00012 0.00105 -0.00029 -0.00081 0.00007 170 4XY -0.00099 -0.00170 0.00061 0.00083 0.00003 171 4XZ 0.00059 0.00058 -0.00016 -0.00001 0.00001 172 4YZ -0.00005 0.00005 -0.00005 -0.00032 0.00003 173 22 O 1S 0.00079 -0.00142 -0.00426 0.00192 0.00007 174 2S -0.00745 -0.00210 0.00988 -0.00330 -0.00017 175 2PX -0.01266 -0.00817 -0.01627 -0.00864 0.00236 176 2PY 0.03843 0.01577 0.00470 0.01122 -0.00047 177 2PZ 0.04572 0.02054 0.00925 0.01854 -0.00184 178 3S 0.00169 0.02453 0.01277 -0.01834 -0.00011 179 3PX -0.01067 -0.01123 -0.01247 -0.00388 0.00200 180 3PY 0.02535 0.00766 0.00281 0.00921 -0.00036 181 3PZ 0.03138 0.01284 0.00864 0.01390 -0.00202 182 4XX 0.00069 -0.00147 -0.00013 0.00156 0.00013 183 4YY -0.00216 -0.00173 -0.00044 0.00007 0.00000 184 4ZZ -0.00044 -0.00103 0.00032 0.00067 -0.00012 185 4XY -0.00004 0.00020 0.00066 0.00002 -0.00009 186 4XZ -0.00101 -0.00032 0.00012 -0.00034 -0.00002 187 4YZ -0.00163 0.00030 -0.00037 -0.00151 0.00002 188 23 H 1S 0.01089 0.00930 0.00200 -0.00084 -0.00050 189 2S 0.01796 0.01861 0.00258 -0.00354 -0.00101 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00019 0.00089 28 4XY 0.00000 -0.00032 0.00095 29 4XZ -0.00048 0.00026 -0.00017 0.00067 30 4YZ 0.00014 -0.00011 0.00042 -0.00028 0.00117 31 3 C 1S 0.00118 -0.00024 -0.00373 -0.00330 -0.00332 32 2S -0.00344 0.00008 0.00671 0.00637 0.00626 33 2PX 0.00220 -0.00219 -0.00235 -0.00296 -0.00857 34 2PY 0.01331 -0.00190 0.00163 -0.00724 0.00162 35 2PZ 0.00246 0.01017 -0.00838 0.00074 -0.00096 36 3S -0.00287 -0.00161 0.00854 0.00402 0.00762 37 3PX -0.00025 -0.00269 0.00001 -0.00054 -0.00548 38 3PY 0.00408 0.00056 0.00027 -0.00162 0.00013 39 3PZ 0.00198 0.00448 -0.00454 0.00042 0.00162 40 4XX -0.00020 0.00012 -0.00005 0.00004 -0.00034 41 4YY 0.00096 -0.00047 0.00024 -0.00056 0.00029 42 4ZZ -0.00037 0.00030 -0.00056 0.00018 -0.00043 43 4XY 0.00009 -0.00028 0.00027 0.00003 0.00026 44 4XZ -0.00031 0.00010 -0.00010 0.00045 0.00003 45 4YZ -0.00002 -0.00044 0.00010 -0.00005 0.00013 46 4 C 1S 0.00081 -0.00156 0.00079 -0.00073 0.00027 47 2S -0.00158 0.00302 -0.00173 0.00157 -0.00069 48 2PX 0.00138 -0.00377 0.00102 -0.00129 0.00015 49 2PY -0.00124 0.00210 -0.00250 0.00116 0.00024 50 2PZ 0.00397 -0.00733 0.00401 -0.00607 0.00075 51 3S -0.00435 0.00350 -0.00172 0.00278 -0.00357 52 3PX 0.00070 -0.00170 0.00039 -0.00059 0.00017 53 3PY 0.00008 0.00119 -0.00209 0.00026 -0.00024 54 3PZ 0.00203 -0.00434 0.00270 -0.00305 0.00127 55 4XX 0.00007 -0.00013 0.00006 -0.00013 0.00012 56 4YY 0.00035 -0.00004 0.00000 -0.00017 0.00008 57 4ZZ -0.00033 0.00002 0.00010 0.00024 -0.00004 58 4XY -0.00002 -0.00015 0.00001 -0.00004 -0.00002 59 4XZ -0.00010 0.00019 -0.00001 0.00024 0.00032 60 4YZ -0.00011 -0.00019 0.00008 -0.00013 -0.00005 61 5 C 1S -0.00020 -0.00037 -0.00004 0.00009 -0.00021 62 2S 0.00036 0.00057 0.00040 -0.00017 0.00066 63 2PX 0.00065 -0.00085 0.00037 -0.00006 -0.00122 64 2PY 0.00190 -0.00047 0.00034 -0.00073 -0.00083 65 2PZ 0.00059 -0.00074 -0.00159 0.00000 -0.00019 66 3S 0.00205 0.00193 -0.00050 -0.00079 0.00335 67 3PX -0.00004 -0.00043 0.00021 0.00014 -0.00073 68 3PY 0.00223 -0.00055 0.00015 -0.00102 -0.00066 69 3PZ 0.00057 -0.00069 -0.00145 -0.00003 -0.00060 70 4XX 0.00000 -0.00005 0.00006 0.00003 -0.00020 71 4YY -0.00008 0.00000 0.00012 0.00001 0.00000 72 4ZZ 0.00004 0.00005 -0.00026 -0.00002 0.00013 73 4XY -0.00002 -0.00008 0.00008 -0.00002 0.00000 74 4XZ 0.00005 -0.00005 0.00014 0.00004 -0.00038 75 4YZ 0.00008 -0.00019 0.00027 -0.00018 0.00006 76 6 C 1S -0.00096 -0.00025 0.00180 -0.00008 0.00116 77 2S 0.00214 0.00080 -0.00376 0.00016 -0.00224 78 2PX -0.00147 0.00075 -0.00179 -0.00173 0.01077 79 2PY 0.00422 0.00076 -0.00592 -0.00001 -0.00219 80 2PZ -0.00324 -0.00147 0.00819 -0.00049 -0.00079 81 3S 0.00135 0.00112 -0.00563 0.00036 -0.00433 82 3PX 0.00079 0.00046 -0.00236 -0.00133 0.00703 83 3PY 0.00088 -0.00001 -0.00276 0.00020 -0.00146 84 3PZ -0.00087 -0.00208 0.00456 -0.00042 -0.00175 85 4XX 0.00005 -0.00004 0.00039 -0.00001 -0.00032 86 4YY -0.00003 -0.00027 0.00013 -0.00009 0.00012 87 4ZZ -0.00001 0.00015 -0.00015 -0.00001 0.00047 88 4XY -0.00031 0.00018 0.00009 0.00005 0.00023 89 4XZ 0.00021 0.00003 -0.00008 0.00004 -0.00001 90 4YZ -0.00023 0.00018 0.00029 0.00004 0.00003 91 7 H 1S 0.00186 0.00080 0.00512 -0.00002 0.00716 92 2S -0.00151 0.00192 0.00529 0.00049 0.00783 93 8 H 1S -0.00407 0.00550 -0.00785 0.00827 -0.01087 94 2S -0.00362 0.00647 -0.00774 0.00608 -0.01062 95 9 H 1S 0.00806 -0.00273 0.00411 -0.00313 0.00349 96 2S 0.00889 -0.00329 0.00215 -0.00474 0.00263 97 10 H 1S 0.00033 -0.00156 0.00015 -0.00073 0.00083 98 2S 0.00077 -0.00124 0.00046 -0.00081 0.00265 99 11 H 1S 0.00013 -0.00008 0.00000 0.00035 -0.00131 100 2S 0.00006 -0.00013 0.00028 0.00060 -0.00304 101 12 H 1S -0.00127 -0.00082 0.00167 -0.00027 0.00090 102 2S -0.00118 -0.00192 0.00249 -0.00048 0.00055 103 13 H 1S -0.00031 0.00069 -0.00159 0.00023 0.00150 104 2S -0.00064 0.00071 -0.00181 0.00036 0.00143 105 14 H 1S -0.00014 -0.00072 0.00062 -0.00133 -0.00077 106 2S -0.00013 -0.00169 0.00141 -0.00151 -0.00146 107 15 C 1S -0.00007 -0.00009 -0.00015 0.00014 0.00012 108 2S 0.00011 0.00012 0.00040 -0.00022 -0.00031 109 2PX 0.00086 0.00078 -0.00032 0.00094 0.00042 110 2PY 0.00089 0.00044 -0.00083 -0.00027 0.00109 111 2PZ -0.00024 -0.00055 -0.00062 -0.00048 0.00030 112 3S 0.00068 -0.00088 0.00199 -0.00100 -0.00083 113 3PX 0.00029 0.00002 0.00069 0.00051 -0.00006 114 3PY 0.00078 -0.00009 -0.00034 -0.00015 0.00064 115 3PZ -0.00031 -0.00039 0.00057 -0.00056 0.00063 116 4XX 0.00003 -0.00002 -0.00023 0.00002 0.00018 117 4YY 0.00000 -0.00001 0.00009 -0.00003 -0.00004 118 4ZZ -0.00001 0.00004 0.00008 0.00004 -0.00003 119 4XY 0.00012 0.00015 -0.00017 0.00000 0.00028 120 4XZ -0.00001 -0.00003 0.00010 0.00003 -0.00011 121 4YZ -0.00010 -0.00014 0.00022 0.00001 -0.00028 122 16 C 1S 0.00004 -0.00029 -0.00017 0.00039 0.00066 123 2S -0.00016 0.00024 0.00053 -0.00088 -0.00094 124 2PX 0.00263 0.00291 -0.00297 0.00048 0.00435 125 2PY -0.00085 -0.00015 0.00044 -0.00018 -0.00114 126 2PZ -0.00130 -0.00243 0.00268 0.00039 -0.00363 127 3S -0.00169 0.00040 0.00083 -0.00036 -0.00243 128 3PX 0.00184 0.00224 -0.00266 0.00043 0.00313 129 3PY 0.00011 -0.00090 0.00134 -0.00057 -0.00123 130 3PZ -0.00116 -0.00129 0.00150 0.00028 -0.00358 131 4XX -0.00010 -0.00022 0.00008 0.00007 -0.00014 132 4YY 0.00008 0.00001 -0.00001 -0.00004 0.00004 133 4ZZ 0.00007 0.00017 -0.00011 0.00001 0.00009 134 4XY -0.00004 0.00002 -0.00003 0.00000 0.00001 135 4XZ 0.00010 0.00012 -0.00007 -0.00003 0.00009 136 4YZ 0.00007 0.00000 0.00001 0.00008 0.00002 137 17 C 1S -0.00001 -0.00005 -0.00008 0.00009 0.00010 138 2S -0.00017 0.00000 0.00016 -0.00011 -0.00026 139 2PX 0.00030 0.00020 -0.00013 0.00023 0.00037 140 2PY 0.00004 0.00020 -0.00006 -0.00024 -0.00018 141 2PZ 0.00010 0.00011 -0.00029 0.00014 0.00024 142 3S -0.00031 -0.00026 0.00027 -0.00021 -0.00048 143 3PX -0.00001 0.00012 -0.00013 0.00011 0.00014 144 3PY -0.00003 0.00003 -0.00009 -0.00008 0.00011 145 3PZ 0.00029 0.00067 -0.00046 0.00021 0.00057 146 4XX 0.00009 0.00013 -0.00005 0.00004 0.00009 147 4YY -0.00002 0.00000 0.00001 -0.00002 0.00002 148 4ZZ -0.00006 -0.00011 0.00004 -0.00001 -0.00009 149 4XY -0.00004 -0.00008 0.00006 0.00002 -0.00010 150 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 151 4YZ 0.00003 0.00004 -0.00007 0.00001 0.00012 152 18 H 1S 0.00002 0.00110 -0.00076 -0.00068 0.00057 153 2S 0.00026 0.00140 -0.00166 -0.00025 0.00089 154 19 H 1S -0.00023 -0.00041 0.00014 -0.00006 -0.00038 155 2S -0.00051 -0.00114 0.00053 -0.00017 -0.00089 156 20 H 1S -0.00043 -0.00018 0.00129 0.00016 -0.00121 157 2S -0.00052 -0.00024 0.00125 0.00024 -0.00070 158 21 O 1S -0.00004 0.00000 0.00015 -0.00004 -0.00002 159 2S 0.00004 -0.00011 -0.00016 0.00009 -0.00007 160 2PX -0.00041 -0.00058 -0.00003 -0.00051 0.00033 161 2PY -0.00024 -0.00028 0.00001 0.00026 -0.00006 162 2PZ 0.00034 0.00066 0.00025 0.00007 0.00020 163 3S 0.00028 0.00054 -0.00178 0.00022 0.00067 164 3PX -0.00031 -0.00046 0.00025 -0.00043 0.00026 165 3PY -0.00018 -0.00004 -0.00020 0.00024 0.00007 166 3PZ 0.00030 0.00051 0.00043 0.00015 0.00008 167 4XX -0.00002 -0.00001 0.00007 -0.00002 -0.00004 168 4YY -0.00002 -0.00004 0.00007 0.00000 -0.00003 169 4ZZ -0.00002 -0.00003 0.00009 0.00001 -0.00008 170 4XY -0.00003 -0.00003 0.00002 -0.00002 0.00001 171 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 172 4YZ -0.00002 0.00000 0.00006 0.00000 -0.00005 173 22 O 1S -0.00006 -0.00013 -0.00001 -0.00007 -0.00018 174 2S 0.00022 0.00056 -0.00003 0.00008 0.00030 175 2PX -0.00167 -0.00254 0.00170 -0.00035 -0.00253 176 2PY -0.00014 -0.00020 -0.00006 0.00047 0.00051 177 2PZ 0.00100 0.00209 -0.00139 0.00009 0.00235 178 3S 0.00019 0.00009 0.00011 0.00016 0.00123 179 3PX -0.00128 -0.00180 0.00141 -0.00017 -0.00239 180 3PY -0.00012 -0.00005 -0.00014 0.00034 0.00031 181 3PZ 0.00108 0.00199 -0.00138 0.00012 0.00209 182 4XX -0.00005 -0.00002 0.00009 0.00000 -0.00014 183 4YY 0.00002 0.00003 0.00000 -0.00002 -0.00005 184 4ZZ 0.00001 0.00007 -0.00009 0.00001 0.00008 185 4XY 0.00007 0.00009 -0.00006 0.00000 0.00010 186 4XZ 0.00001 0.00003 -0.00001 -0.00002 0.00002 187 4YZ 0.00000 -0.00006 0.00002 -0.00001 -0.00002 188 23 H 1S 0.00037 0.00047 -0.00021 0.00017 0.00044 189 2S 0.00070 0.00082 -0.00047 0.00027 0.00086 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.06133 0.32633 33 2PX 0.00315 -0.00483 0.35439 34 2PY -0.00191 -0.00376 0.02302 0.41151 35 2PZ 0.00214 0.00093 0.04001 -0.00391 0.38400 36 3S -0.19781 0.29069 0.01224 0.00351 -0.02807 37 3PX -0.00758 0.01604 0.19638 -0.01982 -0.03217 38 3PY 0.00758 0.00820 0.00468 0.13002 0.01758 39 3PZ 0.00297 -0.00462 -0.04853 0.01429 0.17020 40 4XX -0.01132 -0.01296 -0.00889 -0.00494 -0.00137 41 4YY -0.01838 0.00158 0.00429 0.02195 -0.00252 42 4ZZ -0.01398 -0.00730 0.00781 -0.01079 0.00470 43 4XY -0.00161 0.00345 -0.00762 0.00005 -0.00415 44 4XZ -0.00249 0.00560 -0.00453 -0.00528 -0.00116 45 4YZ 0.00081 -0.00153 -0.00335 -0.00229 -0.01081 46 4 C 1S 0.01252 -0.02297 -0.02143 0.02956 -0.05184 47 2S -0.02336 0.03914 0.04299 -0.05548 0.10796 48 2PX 0.01708 -0.03374 0.00050 0.02749 -0.08301 49 2PY -0.02350 0.04868 0.02057 -0.03156 0.11041 50 2PZ 0.06431 -0.13740 -0.10108 0.12207 -0.23451 51 3S 0.00258 0.02396 0.09360 -0.11181 0.08683 52 3PX 0.00271 -0.01329 -0.00003 0.01604 -0.03735 53 3PY -0.00571 0.01148 0.01358 0.00260 0.05339 54 3PZ 0.01309 -0.04402 -0.04351 0.05774 -0.11715 55 4XX 0.00197 -0.00450 -0.00736 0.00167 -0.00375 56 4YY 0.00081 -0.00222 -0.00072 0.00983 -0.00224 57 4ZZ -0.00456 0.00848 0.00573 -0.00739 0.00103 58 4XY 0.00115 -0.00204 0.00143 -0.00103 -0.00361 59 4XZ -0.00264 0.00524 -0.00785 -0.00344 0.00571 60 4YZ 0.00410 -0.00767 -0.00393 -0.00341 -0.00869 61 5 C 1S -0.00202 0.00420 0.00310 -0.00914 0.00489 62 2S 0.00459 -0.00918 -0.00431 0.01813 -0.01663 63 2PX -0.00180 0.00337 0.00565 -0.00361 0.00159 64 2PY 0.01024 -0.02612 -0.00236 0.03528 -0.03068 65 2PZ -0.00336 0.01374 0.00369 -0.00754 0.02387 66 3S -0.00082 -0.01381 -0.04769 0.07650 0.00219 67 3PX 0.00044 0.00408 0.00897 -0.00860 -0.00185 68 3PY 0.00685 -0.01928 -0.00922 0.05188 -0.01857 69 3PZ 0.00016 0.00716 0.01326 -0.00332 0.01589 70 4XX -0.00043 0.00105 0.00160 -0.00085 -0.00003 71 4YY -0.00057 0.00088 0.00258 -0.00192 0.00053 72 4ZZ 0.00018 -0.00091 -0.00295 0.00150 0.00092 73 4XY 0.00034 -0.00060 0.00054 0.00070 -0.00295 74 4XZ -0.00007 0.00012 0.00227 -0.00068 -0.00232 75 4YZ 0.00151 -0.00341 -0.00257 0.00453 -0.00723 76 6 C 1S -0.00468 0.00678 0.00443 -0.01024 -0.00218 77 2S 0.00678 -0.01943 -0.01494 0.02846 0.00306 78 2PX 0.00443 -0.01494 -0.09410 0.02687 0.03865 79 2PY 0.01024 -0.02846 -0.02688 0.03618 0.01453 80 2PZ -0.00218 0.00306 0.03865 -0.01451 -0.06997 81 3S 0.02825 -0.03182 0.02300 0.03182 0.02406 82 3PX 0.00346 -0.01217 -0.08553 0.02905 0.03407 83 3PY 0.01062 -0.00751 0.01954 -0.01164 0.01762 84 3PZ -0.00233 0.00645 0.04464 -0.01710 -0.05610 85 4XX -0.00045 -0.00045 0.00092 0.00052 -0.00105 86 4YY -0.00084 0.00068 0.00196 -0.00122 -0.00053 87 4ZZ -0.00046 0.00014 -0.00232 0.00074 0.00066 88 4XY -0.00044 0.00070 -0.00076 -0.00097 -0.00146 89 4XZ 0.00005 0.00038 0.00001 -0.00024 0.00002 90 4YZ 0.00001 -0.00004 -0.00161 0.00042 -0.00128 91 7 H 1S -0.00753 0.01707 -0.03031 -0.01511 -0.01497 92 2S -0.01234 0.02410 -0.06563 -0.03044 -0.02984 93 8 H 1S 0.01338 -0.02791 0.03270 0.00421 0.03215 94 2S 0.01887 -0.03229 0.07741 -0.00142 0.06794 95 9 H 1S -0.05969 0.11295 0.02941 0.26416 -0.02262 96 2S -0.01311 0.02597 0.00927 0.24494 -0.02196 97 10 H 1S 0.00809 -0.01963 -0.02500 0.00184 -0.02345 98 2S 0.01421 -0.02688 -0.08200 0.01218 -0.02898 99 11 H 1S -0.00421 0.01109 0.01223 -0.01109 0.01092 100 2S -0.00628 0.01442 0.02776 -0.02015 0.01335 101 12 H 1S -0.00252 0.00795 0.01088 -0.00924 -0.00291 102 2S -0.00361 0.01394 0.03433 -0.02541 -0.00578 103 13 H 1S -0.00194 0.00810 -0.00892 -0.00400 0.02444 104 2S -0.00257 0.00829 -0.01197 -0.01247 0.03387 105 14 H 1S 0.00810 -0.02346 -0.00302 0.00514 -0.02613 106 2S 0.01254 -0.02988 0.00775 0.01032 -0.05902 107 15 C 1S -0.00096 0.00324 0.00345 -0.00441 -0.00066 108 2S 0.00309 -0.00397 -0.00801 0.00650 0.00422 109 2PX -0.00602 0.01970 0.00550 -0.00668 -0.00167 110 2PY 0.00166 -0.00256 -0.02186 0.01611 0.01217 111 2PZ 0.00542 -0.01608 -0.01141 0.00646 0.00573 112 3S -0.00390 -0.01547 -0.01235 0.04106 -0.01991 113 3PX -0.00525 0.01582 0.01447 -0.00809 -0.01702 114 3PY -0.00344 0.00096 -0.00298 0.01500 -0.01066 115 3PZ 0.00095 -0.01385 -0.02188 0.00944 -0.00461 116 4XX -0.00015 0.00009 -0.00100 -0.00028 0.00082 117 4YY 0.00008 -0.00002 0.00029 0.00010 -0.00048 118 4ZZ -0.00011 0.00080 0.00016 -0.00085 0.00001 119 4XY 0.00037 -0.00017 -0.00560 0.00230 0.00325 120 4XZ -0.00016 0.00052 0.00162 -0.00076 -0.00149 121 4YZ -0.00043 0.00030 0.00505 -0.00154 -0.00330 122 16 C 1S -0.00195 0.00260 -0.00843 0.00428 0.00244 123 2S 0.00085 -0.01172 0.01025 -0.00287 -0.00672 124 2PX 0.00438 -0.00253 -0.10007 0.03473 0.05650 125 2PY 0.00057 -0.00518 0.02519 -0.01766 -0.00962 126 2PZ -0.00771 0.01090 0.08812 -0.02311 -0.05946 127 3S 0.01939 -0.00898 0.03369 -0.03756 0.01772 128 3PX -0.00116 0.00241 -0.06898 0.02648 0.05827 129 3PY -0.00042 -0.00593 0.01875 0.00967 -0.01997 130 3PZ 0.00289 0.00279 0.07191 -0.01844 -0.02544 131 4XX -0.00166 0.00291 0.00639 -0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 0.00031 0.00308 134 4XY 0.00065 -0.00175 -0.00232 -0.00081 0.00135 135 4XZ 0.00087 -0.00215 -0.00444 0.00155 0.00101 136 4YZ -0.00069 0.00189 0.00161 0.00050 -0.00103 137 17 C 1S 0.00031 0.00016 -0.00230 0.00028 0.00028 138 2S -0.00014 0.00012 0.00528 -0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00789 0.00129 0.00106 140 2PY -0.00028 0.00035 0.00361 0.00069 0.00187 141 2PZ -0.00089 0.00172 -0.00116 0.00103 0.00274 142 3S -0.00167 -0.00067 0.01412 -0.00313 -0.00049 143 3PX 0.00070 0.00067 -0.00054 -0.00011 0.00161 144 3PY 0.00010 -0.00080 -0.00121 -0.00034 0.00116 145 3PZ -0.00012 0.00145 -0.01062 0.00170 0.00866 146 4XX 0.00047 -0.00028 -0.00260 0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00261 -0.00051 -0.00089 149 4XY -0.00036 0.00075 0.00234 -0.00068 -0.00100 150 4XZ -0.00011 0.00015 0.00004 0.00017 -0.00005 151 4YZ 0.00050 -0.00078 -0.00242 0.00047 0.00097 152 18 H 1S 0.00600 -0.01492 -0.02504 0.00206 0.02148 153 2S 0.00674 -0.01323 -0.02736 0.00706 0.02821 154 19 H 1S -0.00145 0.00102 0.00985 -0.00186 -0.00338 155 2S -0.00191 0.00050 0.01930 -0.00327 -0.01361 156 20 H 1S -0.00217 0.00570 0.01886 -0.00820 -0.01269 157 2S -0.00428 0.00822 0.02244 -0.01240 -0.02171 158 21 O 1S -0.00022 -0.00083 -0.00029 0.00057 -0.00038 159 2S -0.00032 0.00189 0.00260 -0.00159 -0.00241 160 2PX 0.00196 -0.01053 -0.00511 0.00636 0.00385 161 2PY -0.00012 0.00069 0.00505 -0.00592 -0.00207 162 2PZ -0.00038 0.00618 -0.01085 0.00505 0.00366 163 3S 0.00417 0.00260 -0.00468 -0.00354 0.01629 164 3PX 0.00087 -0.00950 -0.00800 0.00668 0.00037 165 3PY 0.00084 0.00063 0.00068 -0.00534 0.00212 166 3PZ -0.00100 0.00695 -0.00652 0.00313 0.00013 167 4XX 0.00013 -0.00070 -0.00054 0.00032 -0.00035 168 4YY -0.00035 0.00001 0.00039 -0.00001 -0.00100 169 4ZZ -0.00059 0.00049 0.00161 -0.00047 -0.00143 170 4XY -0.00006 -0.00032 0.00006 -0.00005 -0.00023 171 4XZ -0.00001 0.00012 0.00024 -0.00009 -0.00015 172 4YZ 0.00000 0.00005 0.00046 -0.00022 -0.00048 173 22 O 1S -0.00006 0.00124 0.00404 -0.00016 0.00063 174 2S 0.00144 -0.00357 -0.00922 0.00011 0.00159 175 2PX -0.00871 0.01381 0.06018 -0.01144 -0.01992 176 2PY 0.00185 -0.00158 -0.00860 -0.00100 0.00434 177 2PZ 0.00815 -0.00917 -0.05232 0.01312 0.02773 178 3S -0.00560 -0.00092 -0.01760 0.00057 -0.01792 179 3PX -0.00393 0.01001 0.05169 -0.01067 -0.01445 180 3PY 0.00167 -0.00082 -0.00514 -0.00137 0.00722 181 3PZ 0.00725 -0.00760 -0.04912 0.01409 0.03125 182 4XX 0.00024 -0.00022 0.00249 -0.00102 -0.00083 183 4YY 0.00041 0.00028 0.00014 0.00053 0.00077 184 4ZZ 0.00077 -0.00013 -0.00221 0.00025 0.00242 185 4XY 0.00030 -0.00069 -0.00263 0.00048 0.00036 186 4XZ 0.00009 -0.00043 -0.00078 0.00004 0.00006 187 4YZ -0.00035 0.00059 0.00104 0.00015 -0.00079 188 23 H 1S 0.00142 -0.00087 -0.01076 0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02156 0.00370 0.00565 36 37 38 39 40 36 3S 0.30061 37 3PX 0.02129 0.12488 38 3PY -0.00563 -0.00623 0.05321 39 3PZ -0.02581 -0.05271 0.01513 0.09658 40 4XX -0.01129 -0.00518 -0.00167 0.00075 0.00149 41 4YY 0.00386 0.00114 0.00652 -0.00038 -0.00052 42 4ZZ -0.00678 0.00449 -0.00330 -0.00006 0.00007 43 4XY 0.00321 -0.00319 -0.00011 -0.00028 0.00000 44 4XZ 0.00351 -0.00169 -0.00145 0.00063 -0.00001 45 4YZ -0.00060 -0.00006 -0.00162 -0.00357 0.00014 46 4 C 1S -0.00158 -0.00447 0.00707 -0.00574 0.00165 47 2S 0.01520 0.01064 -0.01664 0.02430 -0.00383 48 2PX -0.03857 0.00011 0.00297 -0.01549 0.00730 49 2PY 0.03621 0.00743 -0.01298 0.05085 -0.00065 50 2PZ -0.11064 -0.03884 0.01884 -0.09077 0.00545 51 3S 0.00025 0.04852 -0.02853 -0.00064 -0.00365 52 3PX -0.01153 -0.00165 -0.00036 -0.00754 0.00317 53 3PY 0.00988 0.00132 -0.00475 0.02378 -0.00081 54 3PZ -0.02320 -0.01622 0.00275 -0.04786 0.00129 55 4XX -0.00464 -0.00411 -0.00008 0.00010 0.00055 56 4YY -0.00177 -0.00125 0.00342 -0.00014 -0.00011 57 4ZZ 0.00860 0.00455 -0.00229 -0.00148 -0.00043 58 4XY -0.00249 0.00119 -0.00060 -0.00105 0.00026 59 4XZ 0.00331 -0.00505 -0.00034 0.00512 0.00024 60 4YZ -0.00613 -0.00155 -0.00276 -0.00415 0.00030 61 5 C 1S 0.00385 0.00368 -0.00396 0.00182 0.00030 62 2S -0.00945 -0.00480 0.00899 -0.00699 -0.00104 63 2PX 0.01292 -0.00201 -0.00015 -0.00415 0.00016 64 2PY -0.02808 -0.00942 0.01240 -0.02231 -0.00101 65 2PZ -0.00623 0.01452 0.02514 0.02494 0.00235 66 3S -0.01020 -0.04237 0.02365 0.01384 -0.00084 67 3PX 0.00771 0.00407 -0.00201 -0.00494 0.00010 68 3PY -0.01837 -0.01155 0.01565 -0.00894 -0.00038 69 3PZ -0.00339 0.01371 0.01143 0.01345 0.00078 70 4XX 0.00059 0.00185 0.00079 -0.00002 0.00012 71 4YY 0.00051 0.00138 -0.00036 -0.00117 -0.00021 72 4ZZ -0.00049 -0.00227 -0.00067 0.00161 0.00010 73 4XY -0.00114 0.00075 0.00018 -0.00084 0.00020 74 4XZ -0.00027 0.00192 -0.00021 -0.00237 -0.00014 75 4YZ -0.00211 -0.00124 0.00039 -0.00342 0.00004 76 6 C 1S 0.02825 0.00346 -0.01062 -0.00234 -0.00045 77 2S -0.03182 -0.01217 0.00751 0.00645 -0.00045 78 2PX 0.02300 -0.08553 -0.01954 0.04463 0.00092 79 2PY -0.03183 -0.02906 -0.01164 0.01711 -0.00052 80 2PZ 0.02405 0.03407 -0.01761 -0.05610 -0.00105 81 3S -0.04410 0.00580 0.00615 0.01062 0.00048 82 3PX 0.00580 -0.07056 -0.00673 0.04022 0.00074 83 3PY -0.00615 0.00672 -0.01300 0.00672 -0.00022 84 3PZ 0.01062 0.04023 -0.00672 -0.04212 -0.00188 85 4XX 0.00048 0.00074 0.00022 -0.00188 0.00045 86 4YY 0.00050 0.00168 0.00039 -0.00021 -0.00016 87 4ZZ 0.00055 -0.00204 -0.00018 0.00145 -0.00017 88 4XY 0.00203 -0.00098 -0.00099 -0.00105 0.00001 89 4XZ -0.00018 -0.00004 0.00026 -0.00010 -0.00018 90 4YZ 0.00050 -0.00116 0.00007 -0.00136 0.00007 91 7 H 1S 0.04153 -0.02563 -0.00659 -0.01358 0.00034 92 2S 0.04888 -0.04372 -0.01573 -0.01524 0.00109 93 8 H 1S -0.05772 0.01770 0.01040 0.00730 0.00307 94 2S -0.05898 0.03768 0.01146 0.01283 0.00157 95 9 H 1S 0.11235 0.00498 0.08410 -0.00405 -0.00852 96 2S 0.03320 -0.01110 0.07232 0.00217 -0.00501 97 10 H 1S -0.03206 -0.01669 -0.00582 0.00221 0.00458 98 2S -0.04475 -0.04621 0.00375 0.01693 0.00610 99 11 H 1S 0.01102 0.00908 0.00455 0.00279 -0.00024 100 2S 0.01061 0.02205 0.00342 -0.00198 -0.00114 101 12 H 1S 0.00542 0.01174 0.00990 -0.00326 -0.00021 102 2S 0.01443 0.02815 0.00402 -0.00905 -0.00090 103 13 H 1S -0.00360 -0.00075 0.00943 0.02497 0.00137 104 2S 0.00098 -0.00617 0.00178 0.02866 0.00250 105 14 H 1S -0.01620 0.00408 -0.00731 -0.02954 -0.00244 106 2S -0.01438 0.01446 -0.00677 -0.04306 -0.00103 107 15 C 1S -0.00040 0.00317 0.00096 -0.00133 -0.00050 108 2S -0.00631 -0.00581 0.00158 0.00434 0.00121 109 2PX -0.01557 0.01645 0.02124 -0.00019 -0.00642 110 2PY -0.00887 -0.01834 0.00077 0.01980 -0.00219 111 2PZ 0.00404 -0.02241 -0.01483 -0.00082 0.00551 112 3S -0.00131 -0.00671 0.00009 -0.00727 0.00314 113 3PX -0.00104 0.01959 0.01035 -0.00997 -0.00457 114 3PY -0.00791 0.00145 0.00611 0.00096 -0.00247 115 3PZ 0.00824 -0.02259 -0.01129 -0.00260 0.00448 116 4XX 0.00048 -0.00095 -0.00073 0.00042 0.00002 117 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 118 4ZZ -0.00076 0.00059 0.00107 -0.00013 -0.00011 119 4XY -0.00075 -0.00377 0.00101 0.00331 -0.00023 120 4XZ -0.00094 0.00169 0.00101 -0.00148 -0.00002 121 4YZ 0.00172 0.00388 -0.00112 -0.00305 0.00021 122 16 C 1S 0.00479 0.00167 0.00191 0.00396 -0.00149 123 2S 0.00188 -0.00231 -0.00685 -0.00722 0.00264 124 2PX -0.00880 -0.06592 0.01520 0.05403 -0.00496 125 2PY 0.00295 0.01541 -0.00272 -0.01961 0.00346 126 2PZ 0.03433 0.06243 -0.01959 -0.05024 0.00291 127 3S 0.00633 0.00809 -0.01663 -0.00658 0.00472 128 3PX -0.01131 -0.04891 0.01405 0.04815 -0.00307 129 3PY 0.00142 0.01363 -0.00005 -0.01788 0.00193 130 3PZ 0.01276 0.04703 -0.01040 -0.03220 0.00247 131 4XX 0.00712 0.00462 -0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 0.00109 0.00142 0.00004 133 4ZZ -0.00431 -0.00194 0.00251 0.00257 0.00018 134 4XY 0.00026 -0.00166 -0.00187 0.00108 0.00038 135 4XZ -0.00174 -0.00304 0.00075 0.00144 0.00023 136 4YZ -0.00001 0.00253 0.00115 0.00021 -0.00043 137 17 C 1S -0.00427 -0.00077 0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 -0.00097 -0.00391 0.00020 139 2PX -0.01577 -0.00104 0.00453 0.00865 0.00021 140 2PY 0.00789 -0.00268 0.00141 -0.00227 -0.00035 141 2PZ 0.01037 -0.00059 -0.00641 0.00421 -0.00101 142 3S 0.00771 0.00509 -0.00322 -0.00671 0.00069 143 3PX -0.00049 0.00104 -0.00155 0.00251 -0.00030 144 3PY -0.00407 -0.00170 0.00207 0.00056 0.00023 145 3PZ -0.00685 -0.00525 0.00533 0.00993 -0.00113 146 4XX -0.00398 -0.00129 0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 -0.00301 -0.00210 -0.00004 149 4XY 0.00072 0.00172 -0.00061 -0.00133 -0.00015 150 4XZ 0.00050 -0.00014 0.00009 -0.00040 -0.00006 151 4YZ -0.00382 -0.00104 0.00135 0.00158 0.00024 152 18 H 1S -0.01940 -0.02450 0.00643 0.01187 0.00237 153 2S -0.02510 -0.02492 0.01126 0.01827 0.00128 154 19 H 1S 0.02158 0.00373 -0.01273 -0.00671 -0.00017 155 2S 0.03436 0.00894 -0.02261 -0.01664 0.00052 156 20 H 1S 0.00326 0.01990 0.00386 -0.01165 -0.00039 157 2S 0.00516 0.02251 0.00369 -0.01651 -0.00119 158 21 O 1S 0.00478 0.00034 -0.00292 -0.00037 0.00005 159 2S -0.01174 0.00062 0.00710 -0.00261 0.00009 160 2PX 0.01339 -0.00598 -0.01718 0.00465 0.00284 161 2PY -0.01504 0.01028 0.00351 -0.00627 0.00057 162 2PZ -0.00940 -0.00676 0.01291 0.01134 -0.00300 163 3S -0.02205 -0.00577 0.01075 0.01418 -0.00127 164 3PX 0.00989 -0.00764 -0.01268 0.00164 0.00285 165 3PY -0.01203 0.00555 0.00296 -0.00118 0.00037 166 3PZ -0.00810 -0.00206 0.01200 0.00637 -0.00270 167 4XX -0.00027 -0.00061 -0.00014 -0.00022 0.00027 168 4YY -0.00009 0.00059 0.00005 -0.00109 0.00006 169 4ZZ 0.00112 0.00155 -0.00034 -0.00116 -0.00011 170 4XY 0.00078 0.00003 -0.00066 -0.00012 0.00012 171 4XZ -0.00042 0.00039 0.00024 -0.00009 -0.00002 172 4YZ 0.00012 0.00021 0.00012 -0.00030 0.00002 173 22 O 1S -0.00072 -0.00230 0.00275 -0.00410 0.00035 174 2S 0.00713 0.00370 -0.00818 0.00911 -0.00046 175 2PX 0.06014 0.03304 -0.03525 -0.03603 -0.00293 176 2PY -0.03805 0.01207 0.00553 0.01762 0.00032 177 2PZ -0.09377 -0.02384 0.05511 0.04421 0.00201 178 3S 0.00112 0.00864 -0.00729 0.00832 -0.00246 179 3PX 0.04692 0.02864 -0.02789 -0.02875 -0.00148 180 3PY -0.02464 0.00708 0.00345 0.01326 0.00033 181 3PZ -0.06964 -0.02555 0.04139 0.04032 0.00128 182 4XX -0.00102 0.00166 0.00027 -0.00089 0.00033 183 4YY 0.00234 -0.00115 -0.00011 -0.00071 -0.00001 184 4ZZ 0.00015 -0.00189 -0.00023 0.00145 -0.00001 185 4XY -0.00189 -0.00172 0.00110 0.00119 0.00010 186 4XZ 0.00061 -0.00060 -0.00050 0.00008 -0.00002 187 4YZ 0.00343 0.00027 -0.00176 -0.00116 -0.00021 188 23 H 1S -0.01834 -0.00436 0.01006 0.00827 0.00012 189 2S -0.02969 -0.00958 0.01784 0.01473 -0.00027 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00073 0.00145 43 4XY 0.00013 -0.00035 0.00042 44 4XZ -0.00039 0.00006 0.00009 0.00069 45 4YZ -0.00011 -0.00004 0.00027 0.00008 0.00065 46 4 C 1S 0.00168 -0.00512 0.00133 -0.00200 0.00340 47 2S -0.00346 0.00885 -0.00249 0.00368 -0.00664 48 2PX 0.00096 -0.00570 -0.00081 0.00911 0.00319 49 2PY -0.00950 0.00773 0.00065 0.00272 0.00439 50 2PZ 0.00364 0.00068 0.00406 -0.00358 0.00854 51 3S -0.00684 0.01172 -0.00382 0.00373 -0.00655 52 3PX 0.00064 -0.00266 -0.00044 0.00421 0.00139 53 3PY -0.00362 0.00391 -0.00012 0.00107 0.00182 54 3PZ 0.00256 -0.00033 0.00239 -0.00117 0.00426 55 4XX -0.00029 0.00004 0.00017 0.00026 0.00039 56 4YY 0.00085 -0.00055 -0.00004 -0.00019 -0.00020 57 4ZZ -0.00039 0.00029 0.00001 -0.00011 0.00009 58 4XY -0.00005 -0.00009 -0.00006 0.00038 0.00013 59 4XZ -0.00016 -0.00052 0.00012 0.00062 -0.00011 60 4YZ -0.00031 0.00033 0.00008 -0.00002 0.00031 61 5 C 1S -0.00148 0.00048 0.00034 0.00008 0.00110 62 2S 0.00319 -0.00116 -0.00074 -0.00025 -0.00199 63 2PX -0.00054 0.00019 -0.00001 -0.00082 0.00032 64 2PY 0.00818 -0.00393 -0.00173 -0.00099 -0.00724 65 2PZ -0.00101 0.00006 0.00056 -0.00056 0.00107 66 3S 0.00541 -0.00338 -0.00077 -0.00033 -0.00250 67 3PX -0.00059 0.00022 -0.00018 -0.00058 0.00018 68 3PY 0.00566 -0.00313 -0.00045 -0.00110 -0.00318 69 3PZ 0.00002 -0.00023 0.00014 -0.00060 0.00055 70 4XX -0.00023 0.00006 0.00006 -0.00005 0.00021 71 4YY 0.00009 0.00022 -0.00008 0.00008 -0.00034 72 4ZZ -0.00009 -0.00005 0.00001 0.00003 0.00021 73 4XY 0.00003 -0.00017 -0.00002 0.00028 0.00007 74 4XZ -0.00003 0.00008 0.00002 0.00001 -0.00004 75 4YZ 0.00020 -0.00002 0.00012 -0.00009 0.00018 76 6 C 1S -0.00084 -0.00046 0.00044 0.00005 -0.00001 77 2S 0.00068 0.00014 -0.00070 0.00038 0.00004 78 2PX 0.00196 -0.00232 0.00076 0.00001 0.00161 79 2PY 0.00122 -0.00074 -0.00097 0.00024 0.00042 80 2PZ -0.00053 0.00066 0.00146 0.00002 0.00128 81 3S 0.00050 0.00055 -0.00203 -0.00018 -0.00050 82 3PX 0.00168 -0.00204 0.00098 -0.00004 0.00116 83 3PY -0.00039 0.00018 -0.00099 -0.00026 0.00007 84 3PZ -0.00021 0.00145 0.00105 -0.00010 0.00136 85 4XX -0.00016 -0.00017 -0.00001 -0.00018 -0.00007 86 4YY 0.00037 -0.00008 0.00015 -0.00005 -0.00004 87 4ZZ -0.00008 0.00018 -0.00005 0.00012 0.00014 88 4XY -0.00015 0.00005 -0.00013 0.00004 -0.00005 89 4XZ -0.00005 0.00012 -0.00004 0.00005 0.00000 90 4YZ 0.00004 -0.00014 -0.00005 0.00000 -0.00025 91 7 H 1S -0.00257 0.00002 -0.00085 0.00030 -0.00058 92 2S -0.00387 -0.00050 -0.00037 0.00117 -0.00017 93 8 H 1S -0.00535 0.00632 -0.00350 0.00387 -0.00211 94 2S -0.00515 0.00695 -0.00520 0.00176 -0.00393 95 9 H 1S 0.01671 -0.00993 0.00155 -0.00194 -0.00169 96 2S 0.01588 -0.00874 0.00135 -0.00309 -0.00104 97 10 H 1S -0.00287 0.00116 0.00002 0.00707 0.00220 98 2S -0.00199 -0.00220 0.00147 0.00575 0.00328 99 11 H 1S -0.00155 0.00123 0.00019 -0.00082 0.00098 100 2S -0.00211 0.00239 0.00041 -0.00093 0.00075 101 12 H 1S 0.00086 -0.00008 0.00059 -0.00022 -0.00041 102 2S 0.00150 -0.00030 0.00078 -0.00062 -0.00057 103 13 H 1S -0.00100 -0.00013 0.00010 0.00069 0.00105 104 2S -0.00204 -0.00038 -0.00006 0.00099 0.00117 105 14 H 1S -0.00242 0.00811 0.00106 -0.00401 0.00144 106 2S -0.00166 0.00535 0.00102 -0.00503 0.00280 107 15 C 1S -0.00011 0.00057 0.00027 0.00026 -0.00015 108 2S 0.00040 -0.00090 -0.00041 -0.00034 0.00011 109 2PX 0.00097 0.00319 0.00142 0.00302 -0.00055 110 2PY 0.00126 0.00002 -0.00056 0.00109 0.00046 111 2PZ -0.00060 -0.00255 -0.00099 -0.00228 0.00052 112 3S 0.00159 -0.00306 -0.00029 -0.00172 0.00055 113 3PX 0.00070 0.00203 0.00087 0.00155 -0.00013 114 3PY 0.00134 0.00063 0.00000 0.00055 0.00041 115 3PZ -0.00045 -0.00256 -0.00032 -0.00176 0.00045 116 4XX -0.00003 -0.00003 0.00001 -0.00002 0.00004 117 4YY 0.00000 -0.00004 -0.00001 -0.00003 0.00001 118 4ZZ 0.00000 0.00012 0.00007 0.00008 -0.00007 119 4XY 0.00013 -0.00002 0.00010 0.00023 -0.00004 120 4XZ -0.00001 0.00009 0.00005 -0.00002 0.00000 121 4YZ -0.00009 -0.00009 -0.00009 -0.00015 0.00003 122 16 C 1S 0.00012 -0.00031 0.00016 0.00082 -0.00007 123 2S -0.00134 -0.00051 -0.00064 -0.00233 0.00042 124 2PX 0.00229 0.00005 0.00256 0.00541 -0.00117 125 2PY -0.00230 0.00012 0.00041 -0.00262 -0.00042 126 2PZ -0.00079 -0.00138 -0.00185 -0.00200 0.00099 127 3S -0.00364 -0.00023 -0.00142 -0.00285 -0.00038 128 3PX 0.00184 -0.00015 0.00135 0.00369 -0.00132 129 3PY 0.00001 -0.00089 0.00003 -0.00203 0.00012 130 3PZ -0.00113 -0.00026 -0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 0.00002 0.00022 0.00008 132 4YY 0.00015 -0.00007 -0.00001 -0.00004 -0.00001 133 4ZZ -0.00003 0.00003 0.00004 -0.00003 -0.00010 134 4XY -0.00013 -0.00018 -0.00002 -0.00006 -0.00001 135 4XZ -0.00003 -0.00010 0.00009 -0.00003 0.00000 136 4YZ 0.00015 0.00011 0.00003 0.00023 -0.00001 137 17 C 1S 0.00013 0.00003 0.00003 0.00016 0.00007 138 2S -0.00018 0.00009 0.00003 -0.00059 -0.00011 139 2PX 0.00006 -0.00010 -0.00012 0.00040 0.00005 140 2PY 0.00002 0.00026 -0.00017 -0.00029 -0.00002 141 2PZ 0.00037 0.00014 0.00013 0.00018 -0.00016 142 3S -0.00020 -0.00002 -0.00016 -0.00113 -0.00013 143 3PX -0.00012 0.00010 -0.00009 0.00002 0.00009 144 3PY -0.00008 0.00009 -0.00006 -0.00014 0.00004 145 3PZ 0.00041 0.00050 0.00026 0.00024 -0.00028 146 4XX 0.00002 0.00004 0.00004 0.00007 -0.00002 147 4YY 0.00002 0.00002 -0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 -0.00001 0.00000 0.00001 149 4XY 0.00002 0.00010 0.00001 0.00004 -0.00001 150 4XZ 0.00002 0.00001 0.00002 0.00002 0.00000 151 4YZ -0.00002 -0.00009 0.00000 -0.00009 0.00001 152 18 H 1S -0.00130 0.00016 0.00041 -0.00177 -0.00041 153 2S -0.00061 0.00053 0.00025 -0.00071 -0.00067 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 0.00002 155 2S -0.00042 -0.00084 -0.00028 -0.00005 0.00029 156 20 H 1S -0.00023 0.00048 0.00024 0.00001 -0.00028 157 2S -0.00023 0.00102 0.00025 0.00013 -0.00010 158 21 O 1S -0.00013 -0.00024 -0.00001 -0.00001 0.00001 159 2S 0.00025 0.00047 0.00007 -0.00013 0.00003 160 2PX -0.00074 -0.00252 -0.00087 -0.00149 0.00036 161 2PY -0.00051 0.00016 0.00024 -0.00050 0.00001 162 2PZ 0.00126 0.00186 0.00054 0.00179 -0.00037 163 3S 0.00029 0.00151 -0.00019 0.00050 -0.00001 164 3PX -0.00057 -0.00228 -0.00059 -0.00134 0.00031 165 3PY -0.00046 0.00020 0.00018 -0.00030 -0.00001 166 3PZ 0.00102 0.00155 0.00056 0.00155 -0.00033 167 4XX -0.00002 -0.00012 -0.00002 -0.00009 0.00000 168 4YY -0.00002 -0.00004 0.00003 -0.00004 0.00001 169 4ZZ -0.00001 0.00003 0.00002 0.00003 -0.00001 170 4XY -0.00005 -0.00008 -0.00001 -0.00007 0.00001 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 0.00004 0.00001 -0.00002 -0.00002 173 22 O 1S 0.00017 0.00016 -0.00005 -0.00011 0.00000 174 2S -0.00051 -0.00055 0.00017 0.00025 -0.00013 175 2PX 0.00016 0.00088 -0.00094 0.00017 0.00009 176 2PY 0.00000 0.00000 -0.00031 -0.00046 -0.00005 177 2PZ 0.00057 0.00045 -0.00014 -0.00175 -0.00007 178 3S 0.00010 0.00027 0.00047 0.00070 0.00070 179 3PX -0.00019 0.00035 -0.00083 -0.00011 -0.00009 180 3PY -0.00005 -0.00008 -0.00030 -0.00019 -0.00017 181 3PZ 0.00055 0.00015 0.00014 -0.00076 -0.00036 182 4XX -0.00011 -0.00007 -0.00008 -0.00020 -0.00001 183 4YY 0.00002 -0.00005 0.00002 0.00001 -0.00004 184 4ZZ -0.00003 -0.00002 0.00004 0.00007 -0.00006 185 4XY 0.00001 -0.00005 0.00003 0.00002 0.00002 186 4XZ -0.00003 0.00000 0.00003 -0.00005 0.00000 187 4YZ 0.00004 0.00000 0.00003 0.00017 0.00002 188 23 H 1S 0.00009 0.00020 0.00012 0.00031 -0.00004 189 2S 0.00042 0.00041 0.00035 0.00087 -0.00012 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX -0.00090 0.00094 0.41187 49 2PY -0.00199 0.00122 0.00499 0.38124 50 2PZ -0.00339 0.00249 -0.00313 0.00574 0.38896 51 3S -0.18587 0.27976 -0.00647 -0.00793 -0.02478 52 3PX -0.00226 0.00385 0.18595 0.00355 0.00071 53 3PY 0.00044 0.00253 -0.00076 0.17352 0.00966 54 3PZ -0.00163 0.00937 0.00744 0.00608 0.17988 55 4XX -0.01787 0.00019 0.01072 0.01029 0.01115 56 4YY -0.01551 -0.00514 0.00056 -0.01508 -0.00103 57 4ZZ -0.01630 -0.00351 -0.01053 0.00819 -0.00580 58 4XY -0.00056 0.00106 0.01581 0.00029 -0.00039 59 4XZ 0.00050 -0.00110 0.01494 0.00053 -0.01187 60 4YZ -0.00140 0.00268 0.00003 0.00068 0.01284 61 5 C 1S 0.01015 -0.01941 0.00027 0.06233 0.00369 62 2S -0.01941 0.03034 -0.00112 -0.12841 -0.00769 63 2PX 0.00027 -0.00112 -0.00075 -0.00197 0.00493 64 2PY -0.06234 0.12842 0.00197 -0.31488 -0.00214 65 2PZ 0.00368 -0.00767 0.00493 0.00209 0.00695 66 3S 0.00627 0.00956 0.00446 -0.12580 -0.00425 67 3PX 0.00051 -0.00149 -0.00514 -0.00285 -0.00109 68 3PY -0.01397 0.04158 0.00013 -0.14639 0.01478 69 3PZ 0.00321 -0.00962 -0.00073 -0.00209 -0.00677 70 4XX 0.00206 -0.00506 -0.00024 0.00708 0.00043 71 4YY -0.00682 0.01180 -0.00037 -0.00827 0.00046 72 4ZZ 0.00208 -0.00477 0.00063 0.00813 0.00082 73 4XY 0.00001 -0.00002 0.01155 0.00033 -0.00029 74 4XZ -0.00011 0.00018 -0.00063 0.00060 0.00059 75 4YZ -0.00032 0.00030 -0.00043 0.00007 0.01048 76 6 C 1S -0.00202 0.00459 -0.00180 -0.01024 -0.00336 77 2S 0.00420 -0.00918 0.00337 0.02611 0.01375 78 2PX 0.00310 -0.00431 0.00565 0.00236 0.00369 79 2PY 0.00914 -0.01813 0.00361 0.03528 0.00755 80 2PZ 0.00490 -0.01663 0.00160 0.03068 0.02388 81 3S 0.00385 -0.00945 0.01292 0.02808 -0.00622 82 3PX 0.00368 -0.00480 -0.00201 0.00942 0.01452 83 3PY 0.00396 -0.00899 0.00015 0.01240 -0.02514 84 3PZ 0.00182 -0.00699 -0.00415 0.02231 0.02493 85 4XX 0.00030 -0.00104 0.00016 0.00101 0.00235 86 4YY -0.00148 0.00319 -0.00054 -0.00818 -0.00101 87 4ZZ 0.00048 -0.00116 0.00018 0.00392 0.00006 88 4XY -0.00034 0.00074 0.00001 -0.00173 -0.00056 89 4XZ 0.00008 -0.00025 -0.00082 0.00099 -0.00056 90 4YZ -0.00110 0.00199 -0.00032 -0.00724 -0.00107 91 7 H 1S -0.00090 0.00147 0.00009 -0.00103 -0.00298 92 2S -0.00047 -0.00004 0.00382 -0.00098 0.00410 93 8 H 1S -0.00710 0.01561 -0.01137 0.01107 -0.03375 94 2S -0.00909 0.02150 -0.02682 0.01593 -0.06649 95 9 H 1S 0.01166 -0.02374 0.00668 -0.03133 0.03239 96 2S 0.01409 -0.02635 0.01508 -0.05916 0.06668 97 10 H 1S -0.05306 0.10305 0.24407 0.09284 0.06748 98 2S -0.00470 0.02007 0.21325 0.07583 0.05574 99 11 H 1S 0.00761 -0.01999 -0.02272 0.02939 -0.00277 100 2S 0.00792 -0.01756 -0.04407 0.05181 -0.00222 101 12 H 1S -0.00717 0.01458 -0.00151 -0.03618 -0.00435 102 2S -0.00907 0.01876 -0.00485 -0.06045 -0.01995 103 13 H 1S 0.00840 -0.02009 0.01884 0.02735 -0.01614 104 2S 0.01010 -0.02085 0.03501 0.05263 -0.02228 105 14 H 1S -0.05287 0.10196 -0.18022 0.08044 0.17922 106 2S -0.00700 0.02105 -0.16491 0.06621 0.15936 107 15 C 1S -0.00135 0.00331 0.00010 -0.00131 -0.00447 108 2S 0.00251 -0.00446 -0.00034 0.00181 0.00621 109 2PX -0.00749 0.01643 -0.00553 -0.00835 -0.02316 110 2PY -0.00026 0.00226 -0.00294 -0.00296 0.00041 111 2PZ 0.00676 -0.01383 0.00339 0.00670 0.01780 112 3S 0.00525 -0.02179 -0.00053 0.00380 0.04389 113 3PX -0.00501 0.00780 -0.01195 -0.01242 -0.01016 114 3PY -0.00098 -0.00160 -0.00919 -0.00419 0.00923 115 3PZ 0.00473 -0.01516 0.00205 0.00047 0.02307 116 4XX 0.00003 0.00002 -0.00010 0.00020 -0.00037 117 4YY -0.00008 0.00002 -0.00039 -0.00053 0.00052 118 4ZZ -0.00049 0.00104 0.00049 -0.00051 -0.00123 119 4XY -0.00020 0.00069 0.00069 0.00008 -0.00080 120 4XZ 0.00000 -0.00019 -0.00064 -0.00001 0.00047 121 4YZ 0.00011 -0.00086 -0.00045 -0.00028 0.00108 122 16 C 1S -0.00160 0.00237 0.00275 -0.00037 -0.00219 123 2S 0.00232 -0.00724 -0.00839 -0.00112 0.01167 124 2PX -0.00601 0.01600 0.01449 -0.00147 -0.01969 125 2PY 0.00138 -0.00410 -0.00285 0.00184 0.00129 126 2PZ 0.00522 -0.01807 -0.01389 -0.00170 0.01865 127 3S 0.00606 -0.00124 -0.00167 0.00813 -0.01872 128 3PX -0.00470 0.01725 0.02393 -0.00042 -0.03174 129 3PY 0.00098 -0.01047 -0.00749 -0.00131 0.02065 130 3PZ 0.00664 -0.00698 -0.00779 0.00013 0.00120 131 4XX -0.00063 0.00056 0.00092 -0.00003 -0.00036 132 4YY 0.00003 -0.00028 -0.00017 -0.00039 0.00086 133 4ZZ -0.00062 0.00051 0.00050 -0.00048 -0.00154 134 4XY 0.00037 -0.00055 0.00007 0.00037 0.00068 135 4XZ 0.00066 -0.00101 -0.00114 -0.00007 0.00209 136 4YZ -0.00023 0.00046 -0.00049 -0.00025 -0.00104 137 17 C 1S -0.00065 0.00137 0.00329 0.00005 0.00042 138 2S 0.00156 -0.00373 -0.00908 0.00032 -0.00083 139 2PX -0.00190 0.00417 0.00788 -0.00096 0.00238 140 2PY -0.00001 -0.00041 -0.00185 0.00005 -0.00246 141 2PZ 0.00281 -0.00423 -0.01835 -0.00433 -0.00496 142 3S 0.00356 -0.00478 -0.01119 -0.00019 -0.00241 143 3PX 0.00052 -0.00167 -0.00734 0.00476 0.00093 144 3PY -0.00086 0.00110 0.00496 0.00071 -0.00067 145 3PZ 0.00190 -0.00207 -0.01921 -0.00414 -0.00710 146 4XX -0.00032 0.00025 0.00064 -0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 -0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 0.00035 -0.00005 149 4XY -0.00015 0.00060 0.00009 0.00014 -0.00029 150 4XZ 0.00001 -0.00004 -0.00050 -0.00006 0.00002 151 4YZ 0.00031 -0.00062 -0.00027 -0.00019 0.00046 152 18 H 1S 0.00045 0.00109 0.00160 0.00109 -0.00103 153 2S 0.00048 0.00573 0.00505 -0.00098 -0.00801 154 19 H 1S 0.00270 -0.00473 -0.00805 0.00102 -0.00060 155 2S -0.00010 -0.00130 0.01067 0.00202 0.00672 156 20 H 1S -0.00132 0.00099 -0.00111 -0.00171 -0.00124 157 2S -0.00232 0.00125 -0.00626 -0.00757 -0.00090 158 21 O 1S 0.00035 -0.00090 -0.00001 0.00021 0.00074 159 2S -0.00036 0.00121 0.00059 -0.00149 -0.00001 160 2PX 0.00404 -0.00894 0.00208 -0.00085 0.00992 161 2PY 0.00108 -0.00204 -0.00350 0.00314 0.00004 162 2PZ -0.00486 0.01105 0.00420 -0.00132 -0.00776 163 3S -0.00302 0.00783 -0.00133 0.00365 -0.01229 164 3PX 0.00391 -0.00956 0.00212 -0.00074 0.01197 165 3PY 0.00036 -0.00119 -0.00402 0.00359 -0.00176 166 3PZ -0.00479 0.00936 0.00351 -0.00254 -0.00680 167 4XX 0.00039 -0.00038 0.00086 -0.00007 0.00102 168 4YY 0.00020 -0.00039 -0.00015 -0.00010 0.00069 169 4ZZ 0.00013 0.00006 -0.00014 -0.00042 -0.00005 170 4XY 0.00012 -0.00032 0.00017 0.00007 0.00049 171 4XZ -0.00004 0.00003 -0.00017 -0.00007 -0.00004 172 4YZ -0.00012 0.00006 -0.00007 -0.00019 0.00002 173 22 O 1S -0.00055 0.00098 0.00448 0.00124 -0.00164 174 2S 0.00228 -0.00251 -0.00961 -0.00340 0.00099 175 2PX -0.00379 0.01216 0.01821 0.00614 -0.00593 176 2PY 0.00114 0.00118 -0.00505 -0.00451 -0.00074 177 2PZ 0.00311 -0.00876 -0.02211 -0.00844 -0.00282 178 3S -0.00116 -0.00487 -0.02702 -0.00435 0.01800 179 3PX -0.00096 0.00699 0.01208 0.00447 -0.00653 180 3PY 0.00086 0.00248 0.00199 -0.00334 -0.00534 181 3PZ 0.00116 -0.00346 -0.01266 -0.00584 -0.00685 182 4XX 0.00046 -0.00072 -0.00018 -0.00039 0.00000 183 4YY 0.00040 -0.00042 -0.00023 0.00003 -0.00064 184 4ZZ 0.00021 0.00056 0.00142 0.00010 -0.00159 185 4XY 0.00008 -0.00060 -0.00078 -0.00045 0.00066 186 4XZ 0.00030 -0.00048 -0.00179 -0.00033 0.00045 187 4YZ -0.00031 0.00067 0.00146 0.00046 0.00005 188 23 H 1S -0.00148 0.00243 0.00374 -0.00104 0.00045 189 2S -0.00291 0.00564 0.00935 -0.00523 -0.00186 51 52 53 54 55 51 3S 0.30210 52 3PX -0.00137 0.08585 53 3PY -0.00729 0.00186 0.08588 54 3PZ -0.00699 0.00654 0.00766 0.09074 55 4XX -0.00035 0.00492 0.00456 0.00529 0.00113 56 4YY -0.00513 0.00020 -0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 -0.00477 0.00318 -0.00238 -0.00017 58 4XY 0.00117 0.00724 -0.00004 0.00023 0.00040 59 4XZ -0.00235 0.00665 -0.00025 -0.00508 0.00023 60 4YZ 0.00250 0.00017 0.00091 0.00612 0.00042 61 5 C 1S 0.00627 0.00051 0.01397 0.00321 0.00206 62 2S 0.00956 -0.00149 -0.04158 -0.00963 -0.00506 63 2PX 0.00447 -0.00514 -0.00013 -0.00073 -0.00024 64 2PY 0.12580 0.00285 -0.14639 0.00207 -0.00708 65 2PZ -0.00423 -0.00109 -0.01480 -0.00677 0.00043 66 3S -0.03255 0.00253 -0.03364 -0.00816 -0.00420 67 3PX 0.00253 -0.00533 -0.00180 -0.00276 -0.00048 68 3PY 0.03364 0.00180 -0.06475 0.00906 -0.00296 69 3PZ -0.00815 -0.00276 -0.00907 -0.00863 -0.00045 70 4XX -0.00420 -0.00048 0.00296 -0.00045 0.00013 71 4YY 0.01297 -0.00018 -0.00461 0.00072 -0.00014 72 4ZZ -0.00656 0.00073 0.00444 0.00072 0.00028 73 4XY 0.00016 0.00535 -0.00021 0.00024 0.00031 74 4XZ 0.00163 -0.00063 0.00052 0.00016 -0.00004 75 4YZ 0.00039 -0.00012 0.00009 0.00526 0.00030 76 6 C 1S -0.00082 0.00044 -0.00685 0.00016 -0.00043 77 2S -0.01381 0.00408 0.01928 0.00716 0.00105 78 2PX -0.04769 0.00897 0.00922 0.01326 0.00160 79 2PY -0.07650 0.00860 0.05188 0.00333 0.00085 80 2PZ 0.00218 -0.00185 0.01857 0.01589 -0.00003 81 3S -0.01020 0.00771 0.01837 -0.00339 0.00059 82 3PX -0.04237 0.00407 0.01155 0.01371 0.00185 83 3PY -0.02365 0.00201 0.01565 -0.01143 -0.00079 84 3PZ 0.01383 -0.00494 0.00894 0.01345 -0.00002 85 4XX -0.00084 0.00010 0.00038 0.00078 0.00012 86 4YY 0.00541 -0.00059 -0.00566 0.00002 -0.00023 87 4ZZ -0.00338 0.00022 0.00313 -0.00023 0.00006 88 4XY 0.00077 0.00018 -0.00045 -0.00014 -0.00006 89 4XZ -0.00033 -0.00058 0.00110 -0.00060 -0.00005 90 4YZ 0.00250 -0.00018 -0.00318 -0.00055 -0.00021 91 7 H 1S 0.00354 0.00130 0.00023 -0.00070 0.00044 92 2S -0.00168 0.00383 0.00067 0.00421 0.00114 93 8 H 1S 0.04177 -0.00462 0.01304 -0.02990 -0.00119 94 2S 0.05147 -0.01221 0.01570 -0.04622 -0.00276 95 9 H 1S -0.06426 0.00613 -0.00754 0.02545 -0.00156 96 2S -0.06879 0.00961 -0.01769 0.03802 -0.00043 97 10 H 1S 0.08095 0.11188 0.04140 0.03912 0.01149 98 2S -0.00680 0.09433 0.02999 0.02564 0.01044 99 11 H 1S -0.01940 -0.01473 0.01812 -0.00845 -0.00095 100 2S -0.00379 -0.02328 0.02464 -0.00581 -0.00070 101 12 H 1S 0.04598 -0.00396 -0.03698 -0.00020 -0.00081 102 2S 0.05206 -0.00610 -0.04915 -0.00659 -0.00228 103 13 H 1S -0.03336 0.00937 0.01272 -0.01224 0.00039 104 2S -0.03229 0.01823 0.02122 -0.01141 0.00188 105 14 H 1S 0.09108 -0.07906 0.04179 0.08297 0.00243 106 2S 0.01901 -0.07320 0.03399 0.07123 0.00131 107 15 C 1S 0.00485 -0.00199 0.00085 -0.00127 -0.00017 108 2S -0.00903 0.00102 -0.00100 0.00195 0.00043 109 2PX 0.04192 -0.01623 -0.00750 -0.01813 -0.00142 110 2PY -0.00883 -0.00246 -0.00146 0.00012 0.00011 111 2PZ -0.03613 0.00601 0.01048 0.01475 0.00137 112 3S -0.04200 0.00318 0.00214 0.02033 0.00139 113 3PX 0.02839 -0.01262 -0.00969 -0.00941 -0.00147 114 3PY -0.00535 -0.00702 -0.00077 0.00151 -0.00037 115 3PZ -0.03138 0.00618 0.00395 0.01530 0.00129 116 4XX -0.00109 -0.00048 0.00025 -0.00021 0.00000 117 4YY 0.00032 0.00016 -0.00050 0.00046 0.00000 118 4ZZ 0.00204 0.00013 -0.00008 -0.00077 -0.00004 119 4XY 0.00000 0.00060 0.00040 -0.00015 0.00007 120 4XZ 0.00124 -0.00079 -0.00020 -0.00018 -0.00003 121 4YZ 0.00020 0.00027 -0.00075 0.00029 -0.00007 122 16 C 1S 0.00255 0.00447 -0.00152 -0.00310 -0.00041 123 2S -0.00748 -0.00430 -0.00070 0.00600 0.00046 124 2PX 0.01136 0.01166 0.00823 -0.00175 0.00106 125 2PY 0.00173 -0.00523 0.00237 -0.00097 0.00006 126 2PZ -0.00089 0.00415 -0.00977 0.00681 -0.00135 127 3S 0.00821 -0.00074 0.00022 -0.00599 0.00009 128 3PX 0.00614 0.01151 0.00630 -0.01038 0.00074 129 3PY -0.01295 -0.00524 -0.00020 0.00826 0.00012 130 3PZ 0.00619 -0.00038 -0.00482 -0.00124 -0.00115 131 4XX 0.00265 0.00163 0.00103 0.00221 -0.00015 132 4YY -0.00173 -0.00055 -0.00030 -0.00003 0.00004 133 4ZZ 0.00032 -0.00056 -0.00096 -0.00250 0.00005 134 4XY -0.00252 0.00074 0.00040 0.00077 0.00009 135 4XZ -0.00127 -0.00019 -0.00011 0.00054 0.00012 136 4YZ 0.00140 -0.00029 -0.00086 -0.00121 -0.00013 137 17 C 1S 0.00215 0.00092 0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00275 -0.00100 0.00004 -0.00013 139 2PX 0.00324 0.00254 0.00028 -0.00164 -0.00008 140 2PY 0.00568 -0.00021 -0.00102 -0.00025 -0.00010 141 2PZ -0.01753 -0.00968 -0.00548 0.00069 -0.00011 142 3S -0.00295 -0.00371 -0.00052 0.00040 -0.00031 143 3PX -0.00221 -0.00299 0.00296 0.00092 -0.00023 144 3PY 0.00041 -0.00015 -0.00061 -0.00171 0.00022 145 3PZ -0.00572 -0.01057 -0.00459 -0.00645 -0.00043 146 4XX 0.00118 -0.00002 -0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 -0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 0.00068 0.00184 -0.00001 149 4XY 0.00087 0.00002 0.00095 0.00079 -0.00006 150 4XZ 0.00079 -0.00006 0.00017 0.00014 -0.00002 151 4YZ -0.00190 -0.00109 -0.00100 -0.00153 0.00005 152 18 H 1S -0.00629 -0.00653 0.00366 -0.00270 0.00098 153 2S -0.00090 -0.00371 0.00288 -0.00756 0.00068 154 19 H 1S -0.01212 -0.00232 -0.00035 0.00659 0.00011 155 2S -0.00944 0.00804 0.00285 0.01557 0.00053 156 20 H 1S 0.01424 0.00070 -0.00473 -0.00305 -0.00050 157 2S 0.01824 -0.00230 -0.00674 -0.00338 -0.00091 158 21 O 1S -0.00140 0.00066 0.00032 0.00120 0.00004 159 2S 0.00520 -0.00116 -0.00170 -0.00313 -0.00018 160 2PX -0.02579 0.00457 -0.00796 0.00206 0.00035 161 2PY -0.00375 -0.01138 0.00147 -0.00662 -0.00002 162 2PZ 0.01643 0.00984 0.00790 0.00189 -0.00015 163 3S 0.00764 -0.00274 0.00055 -0.01043 -0.00035 164 3PX -0.02367 0.00319 -0.00614 0.00362 0.00055 165 3PY -0.00329 -0.00885 0.00121 -0.00583 0.00000 166 3PZ 0.01702 0.00549 0.00421 -0.00022 -0.00026 167 4XX -0.00092 0.00070 0.00017 0.00061 0.00007 168 4YY -0.00005 -0.00042 -0.00011 0.00010 0.00001 169 4ZZ 0.00064 -0.00017 -0.00046 0.00006 -0.00005 170 4XY -0.00066 0.00030 -0.00028 0.00015 0.00001 171 4XZ 0.00026 -0.00021 -0.00025 -0.00019 -0.00001 172 4YZ 0.00011 0.00039 0.00016 0.00026 0.00000 173 22 O 1S 0.00837 0.00231 0.00265 0.00095 0.00014 174 2S -0.01855 -0.00415 -0.00504 -0.00118 -0.00029 175 2PX 0.01250 0.01346 0.01906 0.02776 -0.00092 176 2PY -0.03111 -0.01810 -0.00894 -0.01363 -0.00024 177 2PZ -0.02062 -0.03044 -0.03007 -0.04820 0.00025 178 3S -0.02748 -0.01421 -0.00734 0.00314 -0.00059 179 3PX 0.00875 0.01046 0.01350 0.01960 -0.00078 180 3PY -0.01881 -0.00959 -0.00611 -0.01099 -0.00013 181 3PZ -0.01344 -0.01984 -0.02006 -0.03601 0.00032 182 4XX -0.00045 -0.00034 -0.00079 -0.00089 -0.00003 183 4YY 0.00149 0.00081 0.00051 0.00054 -0.00002 184 4ZZ -0.00030 0.00048 0.00047 -0.00017 0.00005 185 4XY -0.00034 -0.00029 -0.00084 -0.00070 0.00005 186 4XZ -0.00070 -0.00073 0.00010 0.00054 -0.00003 187 4YZ 0.00142 0.00148 0.00138 0.00194 0.00000 188 23 H 1S 0.00559 0.00051 -0.00112 -0.00515 0.00001 189 2S 0.00914 0.00123 -0.00425 -0.01008 0.00014 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY -0.00003 -0.00038 0.00096 59 4XZ 0.00007 -0.00033 0.00054 0.00130 60 4YZ -0.00025 -0.00018 0.00004 -0.00042 0.00091 61 5 C 1S -0.00682 0.00208 -0.00001 -0.00011 0.00032 62 2S 0.01180 -0.00477 0.00002 0.00018 -0.00030 63 2PX -0.00037 0.00063 -0.01155 -0.00064 0.00043 64 2PY 0.00827 -0.00813 0.00033 -0.00060 0.00007 65 2PZ 0.00046 0.00082 0.00029 0.00059 -0.01048 66 3S 0.01297 -0.00656 -0.00016 0.00163 -0.00038 67 3PX -0.00018 0.00073 -0.00535 -0.00063 0.00012 68 3PY 0.00461 -0.00444 -0.00021 -0.00052 0.00009 69 3PZ 0.00072 0.00072 -0.00024 0.00015 -0.00526 70 4XX -0.00014 0.00028 -0.00031 -0.00004 -0.00030 71 4YY -0.00006 -0.00018 0.00002 -0.00013 0.00010 72 4ZZ -0.00018 0.00010 0.00028 0.00008 0.00016 73 4XY -0.00002 -0.00028 0.00089 0.00042 -0.00003 74 4XZ -0.00013 0.00008 -0.00042 -0.00011 0.00036 75 4YZ -0.00010 -0.00016 -0.00003 -0.00036 0.00065 76 6 C 1S -0.00057 0.00018 -0.00034 -0.00007 -0.00151 77 2S 0.00088 -0.00091 0.00060 0.00013 0.00341 78 2PX 0.00257 -0.00295 -0.00054 0.00227 0.00257 79 2PY 0.00192 -0.00150 0.00070 0.00068 0.00453 80 2PZ 0.00053 0.00092 0.00295 -0.00232 0.00723 81 3S 0.00051 -0.00049 0.00114 -0.00027 0.00211 82 3PX 0.00138 -0.00227 -0.00075 0.00192 0.00124 83 3PY 0.00036 0.00067 0.00018 0.00021 0.00038 84 3PZ -0.00117 0.00161 0.00084 -0.00237 0.00342 85 4XX -0.00021 0.00010 -0.00020 -0.00014 -0.00004 86 4YY 0.00009 -0.00009 -0.00003 -0.00003 -0.00020 87 4ZZ 0.00022 -0.00005 0.00017 0.00008 0.00002 88 4XY 0.00008 -0.00001 -0.00002 -0.00002 0.00012 89 4XZ 0.00008 0.00003 -0.00028 0.00001 0.00009 90 4YZ 0.00034 -0.00021 0.00007 0.00004 0.00018 91 7 H 1S -0.00008 0.00018 0.00020 0.00062 0.00110 92 2S -0.00033 -0.00007 0.00069 0.00148 0.00253 93 8 H 1S 0.00007 -0.00017 -0.00039 -0.00149 -0.00084 94 2S -0.00017 0.00099 -0.00092 -0.00196 -0.00199 95 9 H 1S 0.00650 -0.00183 -0.00121 -0.00093 -0.00478 96 2S 0.00718 -0.00457 -0.00058 -0.00158 -0.00206 97 10 H 1S -0.00486 -0.00663 0.01023 0.00741 0.00360 98 2S -0.00282 -0.00648 0.00917 0.00856 0.00244 99 11 H 1S 0.00174 0.00161 -0.00761 -0.00092 -0.00178 100 2S -0.00149 0.00325 -0.00741 -0.00198 -0.00143 101 12 H 1S -0.00011 -0.00001 -0.00029 -0.00020 -0.00198 102 2S 0.00023 0.00044 -0.00036 -0.00043 -0.00306 103 13 H 1S 0.00276 -0.00025 0.00568 0.00207 -0.00549 104 2S -0.00032 0.00040 0.00580 0.00284 -0.00499 105 14 H 1S -0.00576 0.00364 -0.00695 -0.01312 0.00750 106 2S -0.00434 0.00446 -0.00698 -0.01252 0.00650 107 15 C 1S 0.00005 0.00010 0.00010 0.00018 -0.00019 108 2S -0.00014 -0.00004 0.00004 -0.00024 -0.00007 109 2PX 0.00112 -0.00045 -0.00026 0.00165 -0.00050 110 2PY 0.00098 -0.00111 -0.00047 0.00062 -0.00021 111 2PZ -0.00090 0.00048 0.00017 -0.00135 0.00023 112 3S 0.00026 -0.00033 -0.00040 -0.00187 0.00164 113 3PX 0.00079 0.00014 -0.00082 0.00007 0.00037 114 3PY 0.00090 -0.00036 -0.00055 -0.00044 0.00061 115 3PZ -0.00035 -0.00008 -0.00005 -0.00093 0.00080 116 4XX 0.00006 0.00003 -0.00005 0.00004 0.00002 117 4YY -0.00001 -0.00001 -0.00002 -0.00006 -0.00002 118 4ZZ -0.00001 -0.00004 0.00004 0.00010 -0.00001 119 4XY 0.00012 -0.00024 0.00000 0.00029 -0.00005 120 4XZ -0.00006 0.00009 0.00003 -0.00008 -0.00005 121 4YZ -0.00013 0.00020 -0.00001 -0.00030 0.00005 122 16 C 1S 0.00002 -0.00071 0.00011 0.00080 -0.00005 123 2S -0.00044 0.00039 -0.00043 -0.00161 0.00026 124 2PX 0.00241 -0.00460 0.00026 0.00571 -0.00064 125 2PY -0.00090 0.00118 0.00006 -0.00109 0.00024 126 2PZ -0.00246 0.00367 -0.00017 -0.00603 0.00063 127 3S -0.00193 0.00176 -0.00003 -0.00100 -0.00124 128 3PX 0.00187 -0.00344 0.00086 0.00534 -0.00131 129 3PY -0.00015 0.00076 -0.00052 -0.00189 0.00081 130 3PZ -0.00175 0.00268 -0.00002 -0.00366 -0.00021 131 4XX -0.00006 0.00024 0.00009 -0.00014 0.00005 132 4YY 0.00009 -0.00008 -0.00002 0.00004 -0.00002 133 4ZZ 0.00005 -0.00017 0.00000 0.00017 -0.00005 134 4XY -0.00006 -0.00003 0.00001 -0.00001 0.00004 135 4XZ 0.00001 -0.00016 -0.00005 -0.00002 0.00003 136 4YZ 0.00004 0.00000 0.00000 -0.00001 -0.00004 137 17 C 1S 0.00007 -0.00007 0.00013 0.00031 -0.00004 138 2S -0.00026 0.00031 -0.00022 -0.00060 0.00002 139 2PX 0.00029 -0.00045 0.00040 0.00058 -0.00003 140 2PY 0.00006 0.00004 -0.00023 -0.00013 -0.00015 141 2PZ 0.00016 0.00025 -0.00062 -0.00055 -0.00015 142 3S -0.00036 0.00070 -0.00022 -0.00098 0.00006 143 3PX -0.00004 0.00033 0.00002 -0.00021 0.00001 144 3PY 0.00001 -0.00011 0.00030 0.00028 -0.00003 145 3PZ 0.00024 -0.00014 -0.00032 -0.00007 -0.00027 146 4XX 0.00000 -0.00014 0.00004 0.00008 -0.00003 147 4YY 0.00003 -0.00003 0.00002 0.00005 -0.00002 148 4ZZ -0.00002 0.00014 -0.00004 -0.00010 0.00005 149 4XY -0.00003 0.00009 0.00003 -0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ 0.00004 -0.00005 -0.00003 0.00002 0.00002 152 18 H 1S 0.00039 -0.00090 -0.00011 0.00130 -0.00010 153 2S 0.00064 -0.00135 0.00020 0.00175 -0.00040 154 19 H 1S -0.00020 0.00062 -0.00045 -0.00073 0.00012 155 2S -0.00023 0.00073 -0.00022 -0.00062 0.00042 156 20 H 1S -0.00037 0.00053 0.00014 -0.00044 0.00009 157 2S -0.00020 0.00066 -0.00005 -0.00083 0.00029 158 21 O 1S -0.00004 -0.00007 -0.00020 -0.00011 0.00014 159 2S 0.00000 0.00014 0.00047 0.00016 -0.00015 160 2PX 0.00056 0.00002 -0.00080 -0.00059 0.00081 161 2PY -0.00024 0.00066 -0.00022 -0.00033 0.00016 162 2PZ -0.00030 -0.00126 0.00112 0.00133 -0.00077 163 3S 0.00020 -0.00016 0.00093 0.00111 -0.00109 164 3PX 0.00032 0.00000 -0.00060 -0.00060 0.00079 165 3PY -0.00020 0.00047 -0.00006 -0.00009 -0.00008 166 3PZ -0.00007 -0.00093 0.00079 0.00110 -0.00050 167 4XX -0.00005 -0.00002 0.00004 -0.00003 0.00003 168 4YY -0.00003 0.00003 0.00000 -0.00006 0.00005 169 4ZZ 0.00001 0.00004 -0.00004 -0.00004 0.00005 170 4XY 0.00001 0.00001 -0.00002 -0.00002 0.00005 171 4XZ -0.00001 0.00001 0.00005 -0.00001 -0.00001 172 4YZ -0.00005 0.00000 0.00005 -0.00002 -0.00001 173 22 O 1S -0.00007 0.00013 0.00014 0.00013 -0.00001 174 2S 0.00012 -0.00040 -0.00034 -0.00031 -0.00010 175 2PX -0.00022 0.00224 0.00076 0.00009 0.00011 176 2PY 0.00054 0.00010 -0.00014 0.00041 -0.00023 177 2PZ 0.00078 -0.00182 -0.00109 0.00039 -0.00069 178 3S 0.00044 -0.00016 -0.00080 -0.00116 0.00073 179 3PX -0.00045 0.00192 0.00051 -0.00035 -0.00011 180 3PY 0.00037 -0.00007 0.00004 0.00063 -0.00034 181 3PZ 0.00083 -0.00189 -0.00072 0.00109 -0.00072 182 4XX -0.00008 0.00010 -0.00001 -0.00016 -0.00002 183 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00004 184 4ZZ 0.00006 -0.00010 0.00003 0.00024 -0.00005 185 4XY 0.00001 -0.00010 -0.00004 -0.00003 0.00002 186 4XZ 0.00002 0.00001 -0.00007 -0.00005 0.00001 187 4YZ 0.00001 0.00001 0.00006 0.00007 0.00002 188 23 H 1S 0.00012 -0.00060 0.00026 0.00048 -0.00011 189 2S 0.00038 -0.00132 0.00035 0.00118 -0.00027 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.05341 0.30682 63 2PX -0.00090 0.00094 0.41187 64 2PY 0.00199 -0.00122 -0.00499 0.38124 65 2PZ -0.00339 0.00249 -0.00313 -0.00574 0.38896 66 3S -0.18587 0.27976 -0.00647 0.00794 -0.02478 67 3PX -0.00226 0.00385 0.18595 -0.00355 0.00071 68 3PY -0.00044 -0.00253 0.00076 0.17352 -0.00966 69 3PZ -0.00163 0.00937 0.00744 -0.00608 0.17987 70 4XX -0.01787 0.00019 0.01072 -0.01029 0.01115 71 4YY -0.01551 -0.00514 0.00056 0.01508 -0.00103 72 4ZZ -0.01630 -0.00351 -0.01053 -0.00819 -0.00580 73 4XY 0.00055 -0.00106 -0.01582 0.00029 0.00039 74 4XZ 0.00050 -0.00110 0.01494 -0.00053 -0.01187 75 4YZ 0.00140 -0.00269 -0.00003 0.00069 -0.01284 76 6 C 1S 0.01252 -0.02336 0.01708 0.02349 0.06432 77 2S -0.02297 0.03914 -0.03374 -0.04866 -0.13741 78 2PX -0.02143 0.04299 0.00050 -0.02056 -0.10109 79 2PY -0.02955 0.05546 -0.02748 -0.03153 -0.12204 80 2PZ -0.05185 0.10797 -0.08301 -0.11037 -0.23455 81 3S -0.00158 0.01520 -0.03857 -0.03619 -0.11064 82 3PX -0.00447 0.01064 0.00011 -0.00743 -0.03885 83 3PY -0.00707 0.01663 -0.00297 -0.01296 -0.01882 84 3PZ -0.00574 0.02431 -0.01550 -0.05083 -0.09078 85 4XX 0.00165 -0.00383 0.00730 0.00065 0.00545 86 4YY 0.00169 -0.00346 0.00096 0.00950 0.00365 87 4ZZ -0.00512 0.00885 -0.00570 -0.00773 0.00068 88 4XY -0.00133 0.00249 0.00081 0.00065 -0.00406 89 4XZ -0.00200 0.00368 0.00911 -0.00272 -0.00359 90 4YZ -0.00340 0.00664 -0.00319 0.00439 -0.00853 91 7 H 1S -0.00710 0.01561 -0.01137 -0.01106 -0.03375 92 2S -0.00909 0.02150 -0.02682 -0.01592 -0.06650 93 8 H 1S -0.00090 0.00147 0.00009 0.00103 -0.00298 94 2S -0.00047 -0.00004 0.00382 0.00097 0.00410 95 9 H 1S -0.00717 0.01458 -0.00151 0.03618 -0.00434 96 2S -0.00907 0.01876 -0.00485 0.06045 -0.01994 97 10 H 1S 0.00761 -0.01999 -0.02272 -0.02939 -0.00278 98 2S 0.00792 -0.01756 -0.04407 -0.05181 -0.00223 99 11 H 1S -0.05306 0.10305 0.24407 -0.09285 0.06747 100 2S -0.00470 0.02007 0.21325 -0.07584 0.05572 101 12 H 1S 0.01166 -0.02374 0.00669 0.03133 0.03240 102 2S 0.01409 -0.02635 0.01508 0.05915 0.06669 103 13 H 1S -0.05287 0.10196 -0.18021 -0.08047 0.17920 104 2S -0.00700 0.02105 -0.16491 -0.06624 0.15935 105 14 H 1S 0.00840 -0.02009 0.01884 -0.02734 -0.01614 106 2S 0.01010 -0.02085 0.03501 -0.05262 -0.02229 107 15 C 1S -0.00160 0.00237 0.00275 0.00037 -0.00219 108 2S 0.00232 -0.00724 -0.00839 0.00112 0.01167 109 2PX -0.00601 0.01600 0.01449 0.00148 -0.01969 110 2PY -0.00138 0.00411 0.00285 0.00184 -0.00129 111 2PZ 0.00522 -0.01807 -0.01389 0.00169 0.01865 112 3S 0.00606 -0.00124 -0.00166 -0.00813 -0.01872 113 3PX -0.00470 0.01725 0.02393 0.00042 -0.03174 114 3PY -0.00098 0.01047 0.00749 -0.00131 -0.02065 115 3PZ 0.00664 -0.00698 -0.00779 -0.00013 0.00120 116 4XX -0.00063 0.00056 0.00092 0.00003 -0.00036 117 4YY 0.00003 -0.00028 -0.00017 0.00039 0.00086 118 4ZZ -0.00062 0.00051 0.00050 0.00048 -0.00154 119 4XY -0.00037 0.00055 -0.00007 0.00037 -0.00068 120 4XZ 0.00066 -0.00101 -0.00114 0.00007 0.00209 121 4YZ 0.00023 -0.00046 0.00049 -0.00025 0.00104 122 16 C 1S -0.00135 0.00331 0.00010 0.00131 -0.00447 123 2S 0.00251 -0.00446 -0.00034 -0.00181 0.00621 124 2PX -0.00749 0.01643 -0.00553 0.00836 -0.02316 125 2PY 0.00026 -0.00225 0.00294 -0.00295 -0.00042 126 2PZ 0.00676 -0.01383 0.00340 -0.00671 0.01780 127 3S 0.00525 -0.02179 -0.00053 -0.00380 0.04389 128 3PX -0.00501 0.00780 -0.01195 0.01243 -0.01016 129 3PY 0.00098 0.00160 0.00919 -0.00419 -0.00923 130 3PZ 0.00473 -0.01516 0.00205 -0.00048 0.02306 131 4XX 0.00003 0.00002 -0.00010 -0.00020 -0.00037 132 4YY -0.00008 0.00002 -0.00039 0.00053 0.00052 133 4ZZ -0.00049 0.00104 0.00049 0.00051 -0.00123 134 4XY 0.00020 -0.00069 -0.00069 0.00008 0.00080 135 4XZ 0.00000 -0.00019 -0.00064 0.00001 0.00047 136 4YZ -0.00011 0.00086 0.00045 -0.00028 -0.00108 137 17 C 1S -0.00065 0.00137 0.00329 -0.00005 0.00042 138 2S 0.00156 -0.00373 -0.00908 -0.00032 -0.00083 139 2PX -0.00190 0.00417 0.00788 0.00096 0.00238 140 2PY 0.00001 0.00041 0.00185 0.00005 0.00246 141 2PZ 0.00281 -0.00423 -0.01835 0.00433 -0.00495 142 3S 0.00356 -0.00478 -0.01119 0.00019 -0.00241 143 3PX 0.00052 -0.00167 -0.00734 -0.00476 0.00093 144 3PY 0.00086 -0.00110 -0.00496 0.00071 0.00067 145 3PZ 0.00190 -0.00207 -0.01921 0.00415 -0.00710 146 4XX -0.00032 0.00025 0.00064 0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 -0.00035 -0.00005 149 4XY 0.00015 -0.00060 -0.00009 0.00014 0.00029 150 4XZ 0.00001 -0.00004 -0.00050 0.00006 0.00002 151 4YZ -0.00031 0.00062 0.00027 -0.00019 -0.00046 152 18 H 1S -0.00132 0.00099 -0.00111 0.00171 -0.00124 153 2S -0.00232 0.00125 -0.00626 0.00757 -0.00090 154 19 H 1S 0.00270 -0.00473 -0.00805 -0.00102 -0.00060 155 2S -0.00010 -0.00130 0.01067 -0.00203 0.00672 156 20 H 1S 0.00045 0.00109 0.00160 -0.00109 -0.00103 157 2S 0.00048 0.00573 0.00505 0.00098 -0.00801 158 21 O 1S -0.00055 0.00098 0.00448 -0.00124 -0.00165 159 2S 0.00228 -0.00251 -0.00961 0.00340 0.00099 160 2PX -0.00379 0.01216 0.01821 -0.00614 -0.00593 161 2PY -0.00114 -0.00118 0.00506 -0.00452 0.00074 162 2PZ 0.00311 -0.00876 -0.02211 0.00844 -0.00281 163 3S -0.00116 -0.00487 -0.02702 0.00435 0.01800 164 3PX -0.00096 0.00699 0.01208 -0.00447 -0.00653 165 3PY -0.00086 -0.00247 -0.00199 -0.00335 0.00534 166 3PZ 0.00116 -0.00346 -0.01266 0.00584 -0.00685 167 4XX 0.00046 -0.00072 -0.00018 0.00039 0.00000 168 4YY 0.00040 -0.00042 -0.00023 -0.00003 -0.00064 169 4ZZ 0.00021 0.00056 0.00142 -0.00010 -0.00159 170 4XY -0.00008 0.00060 0.00078 -0.00045 -0.00066 171 4XZ 0.00030 -0.00048 -0.00179 0.00033 0.00045 172 4YZ 0.00031 -0.00067 -0.00146 0.00046 -0.00005 173 22 O 1S 0.00035 -0.00090 -0.00001 -0.00021 0.00074 174 2S -0.00036 0.00121 0.00059 0.00149 -0.00001 175 2PX 0.00404 -0.00894 0.00208 0.00085 0.00992 176 2PY -0.00108 0.00204 0.00350 0.00314 -0.00004 177 2PZ -0.00486 0.01105 0.00420 0.00132 -0.00776 178 3S -0.00302 0.00783 -0.00133 -0.00365 -0.01229 179 3PX 0.00391 -0.00956 0.00212 0.00073 0.01197 180 3PY -0.00036 0.00118 0.00402 0.00359 0.00176 181 3PZ -0.00479 0.00936 0.00351 0.00254 -0.00679 182 4XX 0.00039 -0.00038 0.00086 0.00007 0.00102 183 4YY 0.00020 -0.00039 -0.00015 0.00010 0.00069 184 4ZZ 0.00013 0.00006 -0.00014 0.00042 -0.00005 185 4XY -0.00012 0.00032 -0.00017 0.00007 -0.00049 186 4XZ -0.00004 0.00003 -0.00017 0.00007 -0.00004 187 4YZ 0.00012 -0.00006 0.00007 -0.00019 -0.00002 188 23 H 1S -0.00148 0.00243 0.00374 0.00104 0.00045 189 2S -0.00291 0.00564 0.00935 0.00523 -0.00186 66 67 68 69 70 66 3S 0.30210 67 3PX -0.00137 0.08585 68 3PY 0.00729 -0.00186 0.08588 69 3PZ -0.00699 0.00654 -0.00766 0.09074 70 4XX -0.00035 0.00492 -0.00456 0.00529 0.00113 71 4YY -0.00513 0.00020 0.00601 -0.00086 -0.00033 72 4ZZ -0.00015 -0.00477 -0.00318 -0.00239 -0.00017 73 4XY -0.00117 -0.00724 -0.00004 -0.00023 -0.00040 74 4XZ -0.00235 0.00665 0.00025 -0.00508 0.00023 75 4YZ -0.00250 -0.00016 0.00092 -0.00612 -0.00042 76 6 C 1S 0.00258 0.00271 0.00571 0.01309 0.00197 77 2S 0.02396 -0.01329 -0.01147 -0.04403 -0.00450 78 2PX 0.09360 -0.00003 -0.01357 -0.04351 -0.00736 79 2PY 0.11180 -0.01603 0.00262 -0.05772 -0.00167 80 2PZ 0.08685 -0.03736 -0.05337 -0.11717 -0.00375 81 3S 0.00025 -0.01153 -0.00988 -0.02320 -0.00464 82 3PX 0.04852 -0.00165 -0.00132 -0.01622 -0.00411 83 3PY 0.02853 0.00036 -0.00475 -0.00274 0.00008 84 3PZ -0.00063 -0.00754 -0.02377 -0.04787 0.00010 85 4XX -0.00365 0.00317 0.00081 0.00129 0.00055 86 4YY -0.00684 0.00064 0.00362 0.00256 -0.00029 87 4ZZ 0.01172 -0.00266 -0.00391 -0.00033 0.00004 88 4XY 0.00382 0.00044 -0.00012 -0.00239 -0.00017 89 4XZ 0.00373 0.00421 -0.00107 -0.00117 0.00026 90 4YZ 0.00654 -0.00139 0.00183 -0.00426 -0.00039 91 7 H 1S 0.04177 -0.00462 -0.01304 -0.02991 -0.00119 92 2S 0.05147 -0.01221 -0.01569 -0.04622 -0.00276 93 8 H 1S 0.00354 0.00130 -0.00023 -0.00070 0.00044 94 2S -0.00168 0.00383 -0.00067 0.00421 0.00114 95 9 H 1S 0.04598 -0.00396 0.03698 -0.00019 -0.00081 96 2S 0.05206 -0.00610 0.04915 -0.00658 -0.00228 97 10 H 1S -0.01940 -0.01473 -0.01812 -0.00845 -0.00095 98 2S -0.00379 -0.02328 -0.02464 -0.00582 -0.00070 99 11 H 1S 0.08095 0.11188 -0.04141 0.03912 0.01149 100 2S -0.00680 0.09433 -0.02999 0.02563 0.01044 101 12 H 1S -0.06426 0.00613 0.00753 0.02545 -0.00156 102 2S -0.06879 0.00961 0.01769 0.03802 -0.00043 103 13 H 1S 0.09108 -0.07906 -0.04180 0.08296 0.00243 104 2S 0.01901 -0.07320 -0.03400 0.07122 0.00131 105 14 H 1S -0.03336 0.00937 -0.01271 -0.01225 0.00039 106 2S -0.03229 0.01823 -0.02122 -0.01142 0.00188 107 15 C 1S 0.00255 0.00447 0.00152 -0.00310 -0.00041 108 2S -0.00748 -0.00430 0.00070 0.00600 0.00046 109 2PX 0.01136 0.01166 -0.00823 -0.00175 0.00106 110 2PY -0.00173 0.00523 0.00236 0.00097 -0.00006 111 2PZ -0.00089 0.00415 0.00976 0.00681 -0.00135 112 3S 0.00821 -0.00074 -0.00022 -0.00599 0.00009 113 3PX 0.00614 0.01151 -0.00630 -0.01038 0.00074 114 3PY 0.01295 0.00524 -0.00020 -0.00826 -0.00012 115 3PZ 0.00619 -0.00038 0.00482 -0.00124 -0.00115 116 4XX 0.00265 0.00163 -0.00103 0.00221 -0.00015 117 4YY -0.00173 -0.00055 0.00030 -0.00003 0.00004 118 4ZZ 0.00032 -0.00056 0.00096 -0.00250 0.00005 119 4XY 0.00252 -0.00074 0.00040 -0.00077 -0.00009 120 4XZ -0.00127 -0.00019 0.00011 0.00054 0.00012 121 4YZ -0.00140 0.00029 -0.00086 0.00121 0.00013 122 16 C 1S 0.00485 -0.00199 -0.00085 -0.00127 -0.00017 123 2S -0.00903 0.00102 0.00100 0.00195 0.00043 124 2PX 0.04192 -0.01623 0.00751 -0.01813 -0.00142 125 2PY 0.00884 0.00246 -0.00146 -0.00012 -0.00011 126 2PZ -0.03612 0.00601 -0.01048 0.01475 0.00136 127 3S -0.04200 0.00318 -0.00214 0.02033 0.00139 128 3PX 0.02839 -0.01262 0.00969 -0.00941 -0.00147 129 3PY 0.00535 0.00702 -0.00077 -0.00151 0.00037 130 3PZ -0.03138 0.00618 -0.00395 0.01530 0.00129 131 4XX -0.00109 -0.00048 -0.00025 -0.00021 0.00000 132 4YY 0.00032 0.00016 0.00050 0.00046 0.00000 133 4ZZ 0.00204 0.00013 0.00008 -0.00077 -0.00004 134 4XY 0.00000 -0.00060 0.00040 0.00015 -0.00007 135 4XZ 0.00124 -0.00079 0.00020 -0.00018 -0.00003 136 4YZ -0.00020 -0.00027 -0.00075 -0.00029 0.00007 137 17 C 1S 0.00215 0.00092 -0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00275 0.00100 0.00004 -0.00013 139 2PX 0.00324 0.00254 -0.00028 -0.00164 -0.00008 140 2PY -0.00568 0.00022 -0.00102 0.00025 0.00010 141 2PZ -0.01753 -0.00968 0.00548 0.00069 -0.00011 142 3S -0.00295 -0.00371 0.00052 0.00040 -0.00031 143 3PX -0.00221 -0.00299 -0.00296 0.00092 -0.00023 144 3PY -0.00041 0.00015 -0.00061 0.00171 -0.00022 145 3PZ -0.00572 -0.01057 0.00459 -0.00645 -0.00043 146 4XX 0.00118 -0.00002 0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 -0.00068 0.00184 -0.00001 149 4XY -0.00087 -0.00002 0.00096 -0.00079 0.00006 150 4XZ 0.00079 -0.00006 -0.00017 0.00014 -0.00002 151 4YZ 0.00190 0.00109 -0.00100 0.00153 -0.00005 152 18 H 1S 0.01424 0.00070 0.00473 -0.00305 -0.00050 153 2S 0.01824 -0.00230 0.00674 -0.00338 -0.00091 154 19 H 1S -0.01212 -0.00232 0.00034 0.00659 0.00011 155 2S -0.00944 0.00804 -0.00285 0.01557 0.00053 156 20 H 1S -0.00629 -0.00653 -0.00366 -0.00270 0.00098 157 2S -0.00090 -0.00371 -0.00288 -0.00756 0.00068 158 21 O 1S 0.00837 0.00231 -0.00265 0.00095 0.00014 159 2S -0.01855 -0.00415 0.00504 -0.00118 -0.00029 160 2PX 0.01250 0.01346 -0.01906 0.02775 -0.00092 161 2PY 0.03111 0.01810 -0.00894 0.01363 0.00024 162 2PZ -0.02062 -0.03043 0.03008 -0.04820 0.00025 163 3S -0.02748 -0.01421 0.00733 0.00314 -0.00059 164 3PX 0.00875 0.01046 -0.01350 0.01960 -0.00078 165 3PY 0.01881 0.00959 -0.00611 0.01099 0.00013 166 3PZ -0.01343 -0.01984 0.02006 -0.03600 0.00032 167 4XX -0.00045 -0.00034 0.00079 -0.00089 -0.00003 168 4YY 0.00149 0.00081 -0.00051 0.00054 -0.00002 169 4ZZ -0.00030 0.00048 -0.00047 -0.00017 0.00005 170 4XY 0.00034 0.00029 -0.00084 0.00070 -0.00005 171 4XZ -0.00070 -0.00073 -0.00010 0.00054 -0.00003 172 4YZ -0.00141 -0.00148 0.00138 -0.00194 0.00000 173 22 O 1S -0.00140 0.00066 -0.00032 0.00120 0.00004 174 2S 0.00520 -0.00116 0.00170 -0.00313 -0.00018 175 2PX -0.02579 0.00457 0.00796 0.00206 0.00035 176 2PY 0.00375 0.01137 0.00147 0.00662 0.00002 177 2PZ 0.01643 0.00984 -0.00790 0.00189 -0.00015 178 3S 0.00764 -0.00274 -0.00055 -0.01043 -0.00035 179 3PX -0.02367 0.00319 0.00614 0.00362 0.00055 180 3PY 0.00329 0.00885 0.00121 0.00583 0.00000 181 3PZ 0.01702 0.00549 -0.00421 -0.00022 -0.00026 182 4XX -0.00092 0.00070 -0.00017 0.00061 0.00007 183 4YY -0.00005 -0.00042 0.00011 0.00010 0.00001 184 4ZZ 0.00064 -0.00017 0.00046 0.00006 -0.00005 185 4XY 0.00066 -0.00030 -0.00028 -0.00015 -0.00001 186 4XZ 0.00026 -0.00021 0.00025 -0.00019 -0.00001 187 4YZ -0.00011 -0.00039 0.00016 -0.00026 0.00000 188 23 H 1S 0.00559 0.00051 0.00113 -0.00514 0.00001 189 2S 0.00914 0.00123 0.00426 -0.01008 0.00014 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00033 0.00105 73 4XY 0.00003 0.00038 0.00096 74 4XZ 0.00007 -0.00033 -0.00054 0.00130 75 4YZ 0.00025 0.00018 0.00004 0.00042 0.00091 76 6 C 1S 0.00081 -0.00456 -0.00115 -0.00264 -0.00410 77 2S -0.00222 0.00848 0.00204 0.00524 0.00767 78 2PX -0.00072 0.00573 -0.00143 -0.00785 0.00392 79 2PY -0.00983 0.00738 -0.00103 0.00344 -0.00341 80 2PZ -0.00225 0.00104 0.00361 0.00571 0.00869 81 3S -0.00177 0.00861 0.00249 0.00331 0.00612 82 3PX -0.00125 0.00456 -0.00119 -0.00506 0.00155 83 3PY -0.00342 0.00229 -0.00060 0.00034 -0.00276 84 3PZ -0.00014 -0.00148 0.00105 0.00512 0.00415 85 4XX -0.00011 -0.00043 -0.00026 0.00024 -0.00030 86 4YY 0.00085 -0.00039 0.00005 -0.00016 0.00031 87 4ZZ -0.00055 0.00029 0.00009 -0.00052 -0.00033 88 4XY 0.00004 -0.00001 -0.00006 -0.00012 0.00008 89 4XZ -0.00019 -0.00011 -0.00038 0.00062 0.00002 90 4YZ 0.00020 -0.00009 0.00013 0.00011 0.00031 91 7 H 1S 0.00007 -0.00017 0.00039 -0.00149 0.00084 92 2S -0.00017 0.00099 0.00092 -0.00196 0.00199 93 8 H 1S -0.00008 0.00018 -0.00020 0.00062 -0.00110 94 2S -0.00033 -0.00007 -0.00069 0.00148 -0.00253 95 9 H 1S -0.00011 -0.00001 0.00029 -0.00020 0.00198 96 2S 0.00023 0.00044 0.00036 -0.00043 0.00306 97 10 H 1S 0.00174 0.00161 0.00761 -0.00092 0.00178 98 2S -0.00149 0.00325 0.00741 -0.00198 0.00143 99 11 H 1S -0.00486 -0.00663 -0.01023 0.00741 -0.00360 100 2S -0.00282 -0.00648 -0.00917 0.00855 -0.00244 101 12 H 1S 0.00650 -0.00183 0.00121 -0.00093 0.00479 102 2S 0.00718 -0.00457 0.00058 -0.00158 0.00206 103 13 H 1S -0.00576 0.00363 0.00696 -0.01312 -0.00751 104 2S -0.00434 0.00446 0.00698 -0.01252 -0.00651 105 14 H 1S 0.00275 -0.00025 -0.00568 0.00207 0.00549 106 2S -0.00032 0.00040 -0.00580 0.00284 0.00499 107 15 C 1S 0.00002 -0.00071 -0.00011 0.00080 0.00005 108 2S -0.00044 0.00039 0.00043 -0.00161 -0.00026 109 2PX 0.00241 -0.00460 -0.00026 0.00571 0.00064 110 2PY 0.00090 -0.00118 0.00006 0.00109 0.00024 111 2PZ -0.00246 0.00367 0.00017 -0.00603 -0.00063 112 3S -0.00193 0.00176 0.00003 -0.00100 0.00124 113 3PX 0.00187 -0.00344 -0.00086 0.00534 0.00131 114 3PY 0.00015 -0.00076 -0.00052 0.00189 0.00081 115 3PZ -0.00175 0.00268 0.00002 -0.00366 0.00021 116 4XX -0.00006 0.00024 -0.00009 -0.00014 -0.00006 117 4YY 0.00009 -0.00008 0.00002 0.00004 0.00002 118 4ZZ 0.00005 -0.00017 0.00000 0.00017 0.00005 119 4XY 0.00006 0.00003 0.00001 0.00001 0.00004 120 4XZ 0.00001 -0.00016 0.00005 -0.00002 -0.00003 121 4YZ -0.00004 0.00000 0.00000 0.00001 -0.00004 122 16 C 1S 0.00005 0.00010 -0.00010 0.00018 0.00019 123 2S -0.00014 -0.00004 -0.00003 -0.00024 0.00007 124 2PX 0.00112 -0.00045 0.00026 0.00165 0.00050 125 2PY -0.00098 0.00111 -0.00047 -0.00062 -0.00021 126 2PZ -0.00090 0.00048 -0.00017 -0.00135 -0.00023 127 3S 0.00026 -0.00033 0.00040 -0.00187 -0.00163 128 3PX 0.00079 0.00014 0.00082 0.00007 -0.00037 129 3PY -0.00090 0.00036 -0.00055 0.00044 0.00061 130 3PZ -0.00035 -0.00008 0.00005 -0.00093 -0.00080 131 4XX 0.00006 0.00003 0.00005 0.00004 -0.00002 132 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00002 133 4ZZ -0.00001 -0.00004 -0.00004 0.00010 0.00001 134 4XY -0.00012 0.00024 0.00000 -0.00029 -0.00005 135 4XZ -0.00006 0.00009 -0.00003 -0.00008 0.00005 136 4YZ 0.00013 -0.00020 -0.00001 0.00030 0.00005 137 17 C 1S 0.00007 -0.00007 -0.00013 0.00031 0.00004 138 2S -0.00026 0.00031 0.00022 -0.00060 -0.00002 139 2PX 0.00029 -0.00045 -0.00040 0.00058 0.00003 140 2PY -0.00006 -0.00004 -0.00023 0.00013 -0.00015 141 2PZ 0.00016 0.00025 0.00062 -0.00055 0.00015 142 3S -0.00036 0.00070 0.00022 -0.00098 -0.00006 143 3PX -0.00004 0.00033 -0.00002 -0.00021 -0.00001 144 3PY -0.00001 0.00011 0.00030 -0.00028 -0.00003 145 3PZ 0.00024 -0.00014 0.00032 -0.00007 0.00027 146 4XX 0.00000 -0.00014 -0.00004 0.00008 0.00003 147 4YY 0.00003 -0.00003 -0.00002 0.00005 0.00002 148 4ZZ -0.00002 0.00014 0.00004 -0.00010 -0.00005 149 4XY 0.00003 -0.00009 0.00003 0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ -0.00004 0.00005 -0.00003 -0.00002 0.00002 152 18 H 1S -0.00037 0.00053 -0.00014 -0.00044 -0.00009 153 2S -0.00020 0.00066 0.00005 -0.00083 -0.00029 154 19 H 1S -0.00020 0.00062 0.00045 -0.00073 -0.00012 155 2S -0.00023 0.00073 0.00022 -0.00062 -0.00042 156 20 H 1S 0.00039 -0.00090 0.00011 0.00130 0.00010 157 2S 0.00064 -0.00135 -0.00020 0.00175 0.00041 158 21 O 1S -0.00007 0.00013 -0.00014 0.00013 0.00001 159 2S 0.00012 -0.00040 0.00034 -0.00031 0.00010 160 2PX -0.00022 0.00224 -0.00076 0.00009 -0.00011 161 2PY -0.00054 -0.00010 -0.00014 -0.00041 -0.00023 162 2PZ 0.00078 -0.00182 0.00109 0.00039 0.00069 163 3S 0.00044 -0.00016 0.00080 -0.00116 -0.00073 164 3PX -0.00045 0.00192 -0.00051 -0.00035 0.00011 165 3PY -0.00037 0.00007 0.00004 -0.00063 -0.00034 166 3PZ 0.00083 -0.00189 0.00072 0.00109 0.00072 167 4XX -0.00008 0.00010 0.00001 -0.00016 0.00002 168 4YY -0.00001 0.00000 0.00003 0.00000 0.00004 169 4ZZ 0.00006 -0.00010 -0.00003 0.00024 0.00005 170 4XY -0.00001 0.00010 -0.00004 0.00003 0.00002 171 4XZ 0.00002 0.00001 0.00007 -0.00005 -0.00001 172 4YZ -0.00001 -0.00001 0.00006 -0.00007 0.00002 173 22 O 1S -0.00004 -0.00007 0.00020 -0.00011 -0.00014 174 2S 0.00000 0.00014 -0.00047 0.00016 0.00015 175 2PX 0.00056 0.00002 0.00080 -0.00059 -0.00081 176 2PY 0.00024 -0.00066 -0.00022 0.00033 0.00016 177 2PZ -0.00030 -0.00126 -0.00112 0.00133 0.00077 178 3S 0.00020 -0.00016 -0.00093 0.00111 0.00109 179 3PX 0.00032 0.00000 0.00060 -0.00060 -0.00079 180 3PY 0.00020 -0.00047 -0.00006 0.00009 -0.00008 181 3PZ -0.00007 -0.00093 -0.00079 0.00109 0.00050 182 4XX -0.00005 -0.00002 -0.00004 -0.00003 -0.00003 183 4YY -0.00003 0.00003 0.00000 -0.00006 -0.00005 184 4ZZ 0.00001 0.00004 0.00004 -0.00004 -0.00005 185 4XY -0.00001 -0.00001 -0.00002 0.00002 0.00005 186 4XZ -0.00001 0.00001 -0.00005 -0.00001 0.00001 187 4YZ 0.00005 0.00000 0.00005 0.00002 -0.00001 188 23 H 1S 0.00012 -0.00060 -0.00026 0.00048 0.00011 189 2S 0.00038 -0.00132 -0.00035 0.00118 0.00027 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.06133 0.32633 78 2PX 0.00315 -0.00483 0.35439 79 2PY 0.00191 0.00376 -0.02302 0.41151 80 2PZ 0.00214 0.00093 0.04001 0.00391 0.38400 81 3S -0.19781 0.29069 0.01224 -0.00350 -0.02807 82 3PX -0.00758 0.01604 0.19638 0.01983 -0.03217 83 3PY -0.00758 -0.00820 -0.00467 0.13002 -0.01758 84 3PZ 0.00297 -0.00462 -0.04853 -0.01430 0.17019 85 4XX -0.01132 -0.01296 -0.00889 0.00494 -0.00137 86 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 87 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 88 4XY 0.00161 -0.00345 0.00762 0.00005 0.00415 89 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 90 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 91 7 H 1S 0.01338 -0.02791 0.03270 -0.00421 0.03215 92 2S 0.01887 -0.03229 0.07741 0.00141 0.06794 93 8 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 94 2S -0.01234 0.02410 -0.06563 0.03045 -0.02983 95 9 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 96 2S -0.00361 0.01394 0.03433 0.02541 -0.00578 97 10 H 1S -0.00421 0.01109 0.01223 0.01109 0.01092 98 2S -0.00628 0.01443 0.02776 0.02015 0.01335 99 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 100 2S 0.01421 -0.02688 -0.08200 -0.01218 -0.02898 101 12 H 1S -0.05969 0.11295 0.02941 -0.26415 -0.02267 102 2S -0.01311 0.02597 0.00927 -0.24493 -0.02200 103 13 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02613 104 2S 0.01254 -0.02988 0.00775 -0.01031 -0.05903 105 14 H 1S -0.00194 0.00810 -0.00892 0.00399 0.02444 106 2S -0.00257 0.00829 -0.01197 0.01246 0.03387 107 15 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 108 2S 0.00085 -0.01172 0.01025 0.00287 -0.00672 109 2PX 0.00438 -0.00253 -0.10007 -0.03474 0.05650 110 2PY -0.00057 0.00518 -0.02520 -0.01767 0.00963 111 2PZ -0.00771 0.01090 0.08812 0.02312 -0.05946 112 3S 0.01939 -0.00898 0.03369 0.03755 0.01772 113 3PX -0.00116 0.00241 -0.06898 -0.02649 0.05826 114 3PY 0.00042 0.00593 -0.01876 0.00967 0.01997 115 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 116 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 117 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 118 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 119 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 120 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 121 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 122 16 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 123 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 124 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 125 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 126 2PZ 0.00542 -0.01608 -0.01140 -0.00645 0.00572 127 3S -0.00390 -0.01547 -0.01235 -0.04106 -0.01991 128 3PX -0.00525 0.01582 0.01447 0.00810 -0.01702 129 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 130 3PZ 0.00095 -0.01385 -0.02188 -0.00944 -0.00461 131 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 132 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 133 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 134 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 135 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 136 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 137 17 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 138 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 140 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 141 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 142 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 143 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 144 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 145 3PZ -0.00012 0.00145 -0.01062 -0.00170 0.00866 146 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 149 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 150 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 151 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 152 18 H 1S -0.00217 0.00570 0.01886 0.00820 -0.01269 153 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 154 19 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 155 2S -0.00191 0.00050 0.01930 0.00327 -0.01360 156 20 H 1S 0.00600 -0.01492 -0.02504 -0.00207 0.02148 157 2S 0.00674 -0.01323 -0.02736 -0.00707 0.02821 158 21 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 159 2S 0.00144 -0.00357 -0.00922 -0.00011 0.00159 160 2PX -0.00871 0.01381 0.06018 0.01145 -0.01992 161 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00435 162 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02773 163 3S -0.00560 -0.00092 -0.01760 -0.00057 -0.01792 164 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 165 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00723 166 3PZ 0.00724 -0.00760 -0.04912 -0.01410 0.03125 167 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 168 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 169 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 170 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 171 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 172 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 173 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 174 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 175 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 176 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 177 2PZ -0.00038 0.00618 -0.01086 -0.00506 0.00366 178 3S 0.00417 0.00260 -0.00468 0.00353 0.01629 179 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 180 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 181 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 182 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 183 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 184 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 185 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 186 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 187 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 188 23 H 1S 0.00142 -0.00087 -0.01076 -0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 81 82 83 84 85 81 3S 0.30061 82 3PX 0.02129 0.12488 83 3PY 0.00563 0.00624 0.05321 84 3PZ -0.02581 -0.05271 -0.01514 0.09658 85 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 86 4YY 0.00386 0.00114 -0.00652 -0.00038 -0.00052 87 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 88 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 89 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 90 4YZ 0.00061 0.00006 -0.00162 0.00357 -0.00014 91 7 H 1S -0.05772 0.01770 -0.01041 0.00730 0.00307 92 2S -0.05898 0.03768 -0.01146 0.01283 0.00157 93 8 H 1S 0.04153 -0.02563 0.00659 -0.01358 0.00034 94 2S 0.04888 -0.04372 0.01573 -0.01523 0.00109 95 9 H 1S 0.00542 0.01174 -0.00990 -0.00326 -0.00021 96 2S 0.01443 0.02815 -0.00401 -0.00905 -0.00090 97 10 H 1S 0.01102 0.00908 -0.00455 0.00279 -0.00024 98 2S 0.01061 0.02205 -0.00342 -0.00198 -0.00114 99 11 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 100 2S -0.04475 -0.04621 -0.00375 0.01693 0.00610 101 12 H 1S 0.11235 0.00498 -0.08410 -0.00407 -0.00852 102 2S 0.03320 -0.01110 -0.07232 0.00216 -0.00501 103 13 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 104 2S -0.01438 0.01446 0.00678 -0.04306 -0.00103 105 14 H 1S -0.00360 -0.00075 -0.00944 0.02497 0.00137 106 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 107 15 C 1S 0.00479 0.00167 -0.00191 0.00396 -0.00149 108 2S 0.00188 -0.00231 0.00686 -0.00722 0.00264 109 2PX -0.00879 -0.06592 -0.01521 0.05403 -0.00496 110 2PY -0.00296 -0.01542 -0.00272 0.01962 -0.00346 111 2PZ 0.03433 0.06243 0.01959 -0.05024 0.00291 112 3S 0.00633 0.00809 0.01663 -0.00658 0.00472 113 3PX -0.01131 -0.04891 -0.01405 0.04815 -0.00307 114 3PY -0.00142 -0.01364 -0.00006 0.01789 -0.00193 115 3PZ 0.01276 0.04703 0.01041 -0.03220 0.00247 116 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 117 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 118 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 119 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 120 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 121 4YZ 0.00001 -0.00253 0.00115 -0.00021 0.00043 122 16 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 123 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 124 2PX -0.01557 0.01645 -0.02124 -0.00020 -0.00642 125 2PY 0.00887 0.01834 0.00077 -0.01980 0.00218 126 2PZ 0.00404 -0.02241 0.01483 -0.00082 0.00551 127 3S -0.00131 -0.00671 -0.00009 -0.00727 0.00314 128 3PX -0.00104 0.01959 -0.01035 -0.00997 -0.00457 129 3PY 0.00791 -0.00145 0.00611 -0.00096 0.00247 130 3PZ 0.00824 -0.02259 0.01130 -0.00260 0.00448 131 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 132 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 133 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 134 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 135 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 136 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 137 17 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 139 2PX -0.01577 -0.00104 -0.00453 0.00864 0.00021 140 2PY -0.00789 0.00268 0.00141 0.00227 0.00035 141 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 142 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 143 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 144 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 145 3PZ -0.00685 -0.00525 -0.00533 0.00993 -0.00113 146 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 149 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 150 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 151 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 152 18 H 1S 0.00326 0.01990 -0.00385 -0.01165 -0.00039 153 2S 0.00516 0.02251 -0.00369 -0.01651 -0.00119 154 19 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 155 2S 0.03436 0.00894 0.02261 -0.01663 0.00052 156 20 H 1S -0.01940 -0.02450 -0.00643 0.01187 0.00237 157 2S -0.02510 -0.02492 -0.01126 0.01827 0.00128 158 21 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 159 2S 0.00713 0.00370 0.00818 0.00912 -0.00046 160 2PX 0.06014 0.03304 0.03526 -0.03603 -0.00293 161 2PY 0.03806 -0.01207 0.00554 -0.01763 -0.00032 162 2PZ -0.09377 -0.02384 -0.05511 0.04420 0.00201 163 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 164 3PX 0.04692 0.02864 0.02790 -0.02875 -0.00148 165 3PY 0.02466 -0.00708 0.00346 -0.01327 -0.00033 166 3PZ -0.06963 -0.02555 -0.04139 0.04031 0.00128 167 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 168 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 169 4ZZ 0.00015 -0.00189 0.00022 0.00145 -0.00001 170 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 171 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 172 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 173 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 174 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 175 2PX 0.01339 -0.00598 0.01718 0.00465 0.00284 176 2PY 0.01504 -0.01028 0.00351 0.00627 -0.00057 177 2PZ -0.00940 -0.00676 -0.01291 0.01134 -0.00300 178 3S -0.02205 -0.00577 -0.01076 0.01417 -0.00127 179 3PX 0.00989 -0.00764 0.01268 0.00164 0.00285 180 3PY 0.01203 -0.00555 0.00296 0.00118 -0.00037 181 3PZ -0.00809 -0.00206 -0.01200 0.00637 -0.00270 182 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 183 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 184 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 185 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 186 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 187 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 188 23 H 1S -0.01834 -0.00436 -0.01006 0.00827 0.00012 189 2S -0.02969 -0.00958 -0.01784 0.01473 -0.00027 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00073 0.00145 88 4XY -0.00013 0.00035 0.00042 89 4XZ -0.00039 0.00006 -0.00009 0.00069 90 4YZ 0.00011 0.00004 0.00027 -0.00008 0.00065 91 7 H 1S -0.00535 0.00632 0.00350 0.00387 0.00211 92 2S -0.00515 0.00695 0.00520 0.00176 0.00393 93 8 H 1S -0.00257 0.00002 0.00085 0.00030 0.00058 94 2S -0.00387 -0.00050 0.00037 0.00117 0.00017 95 9 H 1S 0.00086 -0.00008 -0.00059 -0.00023 0.00041 96 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 97 10 H 1S -0.00155 0.00123 -0.00018 -0.00082 -0.00098 98 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 99 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 100 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 101 12 H 1S 0.01671 -0.00993 -0.00155 -0.00194 0.00170 102 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 103 13 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 104 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 105 14 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 106 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 107 15 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 108 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 109 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 110 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 111 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 112 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 113 3PX 0.00184 -0.00014 -0.00135 0.00369 0.00132 114 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 115 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 116 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 117 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 118 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 119 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 120 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 121 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 122 16 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 123 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 124 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 125 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 126 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 127 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 128 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 129 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 130 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 131 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 132 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 133 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 134 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 135 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 136 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 137 17 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 138 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 139 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 140 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 141 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 142 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 143 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 144 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 145 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 146 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 147 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 149 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 150 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 151 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 152 18 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 153 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 155 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 156 20 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 157 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 158 21 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 159 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 160 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 161 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 162 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 163 3S 0.00010 0.00027 -0.00047 0.00070 -0.00070 164 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 165 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 166 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 167 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 168 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 169 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 170 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 171 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 172 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 173 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 174 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 175 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 176 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 177 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 178 3S 0.00029 0.00151 0.00019 0.00050 0.00001 179 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 180 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 181 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 182 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 183 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 184 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 185 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 188 23 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 189 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02222 -0.02568 0.21693 94 2S -0.02568 -0.03291 0.17899 0.17164 95 9 H 1S -0.00941 -0.01833 -0.02290 -0.02724 0.21714 96 2S -0.02008 -0.02682 -0.02758 -0.03410 0.17586 97 10 H 1S 0.00342 0.01033 -0.00882 -0.02287 -0.01340 98 2S 0.00712 0.01814 -0.02135 -0.03822 -0.01059 99 11 H 1S -0.00882 -0.02287 0.00342 0.01033 -0.00724 100 2S -0.02135 -0.03822 0.00712 0.01814 -0.01154 101 12 H 1S -0.02290 -0.02724 -0.00941 -0.01833 0.00159 102 2S -0.02758 -0.03410 -0.02008 -0.02682 -0.00152 103 13 H 1S -0.00035 -0.00360 -0.00063 -0.00022 -0.00529 104 2S -0.00121 -0.00328 -0.00021 -0.00044 -0.01224 105 14 H 1S -0.00063 -0.00022 -0.00035 -0.00360 -0.00897 106 2S -0.00021 -0.00044 -0.00121 -0.00328 -0.00567 107 15 C 1S -0.00015 -0.00151 -0.00005 0.00058 -0.00154 108 2S -0.00040 0.00010 -0.00019 -0.00103 0.00206 109 2PX -0.00505 -0.01516 0.00044 0.00607 0.00479 110 2PY -0.00069 -0.00607 -0.00075 -0.00444 0.00970 111 2PZ 0.00682 0.00957 -0.00028 -0.00384 -0.00401 112 3S 0.00376 0.00975 -0.00200 -0.00662 0.02037 113 3PX -0.00141 -0.00671 -0.00181 0.00104 0.00386 114 3PY 0.00192 -0.00049 -0.00061 -0.00090 0.01136 115 3PZ 0.01246 0.01872 -0.00424 -0.00986 -0.00076 116 4XX 0.00035 0.00029 -0.00016 -0.00018 -0.00022 117 4YY -0.00008 -0.00018 -0.00019 -0.00042 0.00017 118 4ZZ 0.00003 0.00021 -0.00006 0.00012 -0.00023 119 4XY -0.00004 0.00046 -0.00041 -0.00102 0.00116 120 4XZ 0.00002 -0.00056 0.00004 0.00048 -0.00024 121 4YZ -0.00023 -0.00024 0.00040 0.00077 -0.00057 122 16 C 1S -0.00005 0.00058 -0.00015 -0.00151 0.00408 123 2S -0.00019 -0.00103 -0.00040 0.00010 -0.00633 124 2PX 0.00044 0.00607 -0.00505 -0.01516 0.01726 125 2PY 0.00075 0.00444 0.00069 0.00607 -0.01446 126 2PZ -0.00028 -0.00384 0.00682 0.00957 -0.00486 127 3S -0.00200 -0.00662 0.00376 0.00975 -0.02949 128 3PX -0.00181 0.00104 -0.00141 -0.00671 0.01402 129 3PY 0.00061 0.00090 -0.00192 0.00048 0.00485 130 3PZ -0.00424 -0.00986 0.01246 0.01872 -0.00815 131 4XX -0.00016 -0.00018 0.00035 0.00029 0.00033 132 4YY -0.00019 -0.00042 -0.00008 -0.00018 0.00113 133 4ZZ -0.00006 0.00012 0.00003 0.00021 -0.00055 134 4XY 0.00041 0.00102 0.00004 -0.00046 -0.00137 135 4XZ 0.00004 0.00048 0.00002 -0.00056 -0.00012 136 4YZ -0.00040 -0.00077 0.00023 0.00024 0.00127 137 17 C 1S 0.00003 -0.00020 0.00003 -0.00020 0.00003 138 2S 0.00031 0.00145 0.00031 0.00145 -0.00057 139 2PX -0.00016 -0.00178 -0.00016 -0.00178 -0.00048 140 2PY -0.00010 -0.00108 0.00010 0.00108 0.00079 141 2PZ 0.00118 0.00027 0.00118 0.00027 0.00234 142 3S 0.00015 0.00175 0.00015 0.00175 -0.00148 143 3PX 0.00114 0.00061 0.00114 0.00061 -0.00031 144 3PY 0.00068 0.00008 -0.00068 -0.00008 -0.00086 145 3PZ 0.00049 0.00033 0.00049 0.00033 0.00146 146 4XX -0.00009 -0.00015 -0.00009 -0.00015 -0.00016 147 4YY -0.00008 -0.00005 -0.00008 -0.00005 0.00008 148 4ZZ 0.00028 0.00025 0.00028 0.00025 0.00006 149 4XY -0.00019 -0.00050 0.00019 0.00050 0.00003 150 4XZ -0.00003 -0.00001 -0.00003 -0.00001 0.00021 151 4YZ 0.00017 0.00019 -0.00017 -0.00019 -0.00029 152 18 H 1S 0.00095 0.00361 -0.00193 -0.00036 -0.00805 153 2S -0.00010 0.00234 0.00431 0.00495 -0.00435 154 19 H 1S 0.00108 0.00093 0.00108 0.00093 0.00045 155 2S 0.00129 0.00051 0.00129 0.00051 0.00001 156 20 H 1S -0.00193 -0.00036 0.00095 0.00361 -0.00202 157 2S 0.00431 0.00495 -0.00010 0.00234 -0.00284 158 21 O 1S 0.00019 0.00148 -0.00010 -0.00077 0.00027 159 2S 0.00028 -0.00269 0.00005 0.00190 -0.00065 160 2PX 0.00315 0.00741 -0.00034 -0.00462 -0.00043 161 2PY -0.00017 -0.00120 0.00008 0.00423 -0.00414 162 2PZ -0.00405 -0.00151 -0.00141 -0.00298 0.00615 163 3S -0.00398 -0.00954 0.00234 0.00493 -0.00284 164 3PX 0.00455 0.00835 -0.00114 -0.00489 0.00000 165 3PY -0.00079 -0.00169 0.00026 0.00317 -0.00403 166 3PZ -0.00269 -0.00184 -0.00126 -0.00198 0.00529 167 4XX 0.00028 0.00063 -0.00010 -0.00028 -0.00014 168 4YY 0.00012 0.00018 -0.00015 0.00000 0.00004 169 4ZZ 0.00003 -0.00002 0.00007 0.00022 0.00006 170 4XY 0.00020 0.00051 -0.00012 -0.00030 -0.00017 171 4XZ -0.00012 -0.00021 0.00005 0.00015 0.00000 172 4YZ 0.00002 0.00026 0.00001 0.00001 -0.00008 173 22 O 1S -0.00010 -0.00077 0.00019 0.00148 0.00030 174 2S 0.00005 0.00190 0.00028 -0.00269 -0.00116 175 2PX -0.00034 -0.00462 0.00315 0.00741 0.00314 176 2PY -0.00008 -0.00423 0.00017 0.00120 -0.00246 177 2PZ -0.00141 -0.00298 -0.00405 -0.00151 -0.00083 178 3S 0.00234 0.00493 -0.00398 -0.00954 0.00162 179 3PX -0.00114 -0.00489 0.00455 0.00835 0.00071 180 3PY -0.00026 -0.00317 0.00079 0.00169 -0.00217 181 3PZ -0.00126 -0.00198 -0.00269 -0.00184 0.00107 182 4XX -0.00010 -0.00028 0.00028 0.00063 -0.00078 183 4YY -0.00015 0.00000 0.00012 0.00018 0.00045 184 4ZZ 0.00007 0.00022 0.00003 -0.00002 -0.00011 185 4XY 0.00012 0.00030 -0.00020 -0.00051 -0.00008 186 4XZ 0.00005 0.00015 -0.00012 -0.00021 -0.00013 187 4YZ -0.00001 -0.00001 -0.00002 -0.00026 0.00054 188 23 H 1S -0.00069 -0.00122 -0.00069 -0.00122 -0.00050 189 2S -0.00180 -0.00266 -0.00180 -0.00266 0.00055 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00728 0.21593 98 2S -0.00004 0.16994 0.16629 99 11 H 1S -0.01829 -0.02780 -0.03452 0.21593 100 2S -0.02512 -0.03452 -0.04557 0.16994 0.16629 101 12 H 1S -0.00152 -0.00724 -0.01154 -0.01340 -0.01059 102 2S -0.00431 -0.01829 -0.02512 -0.00728 -0.00004 103 13 H 1S -0.01306 0.01701 0.03245 -0.02500 -0.05356 104 2S -0.01808 0.03047 0.04130 -0.05205 -0.06141 105 14 H 1S -0.00497 -0.02500 -0.05356 0.01701 0.03245 106 2S -0.00227 -0.05205 -0.06141 0.03047 0.04130 107 15 C 1S -0.00261 0.00009 -0.00157 0.00211 0.00286 108 2S 0.00376 0.00017 0.00337 -0.00547 -0.00626 109 2PX -0.00464 -0.00264 0.00526 0.01758 0.01629 110 2PY 0.01643 -0.00031 0.00815 0.00282 0.00554 111 2PZ 0.00638 0.00231 -0.00187 -0.01903 -0.03806 112 3S 0.02622 0.00045 0.00730 -0.00477 -0.01425 113 3PX -0.00368 -0.00973 -0.00637 0.02014 0.02387 114 3PY 0.01246 -0.00532 0.00234 0.00650 0.00532 115 3PZ 0.00671 0.00139 0.00014 -0.01303 -0.02557 116 4XX 0.00028 0.00007 0.00073 -0.00031 -0.00458 117 4YY 0.00015 -0.00031 -0.00071 0.00002 0.00153 118 4ZZ -0.00083 0.00031 0.00002 0.00078 0.00305 119 4XY 0.00147 0.00088 0.00118 -0.00019 -0.00010 120 4XZ -0.00089 -0.00045 -0.00037 -0.00020 0.00037 121 4YZ -0.00104 -0.00090 -0.00185 0.00044 -0.00013 122 16 C 1S 0.00292 0.00211 0.00286 0.00009 -0.00157 123 2S -0.00297 -0.00547 -0.00626 0.00017 0.00337 124 2PX 0.02258 0.01758 0.01629 -0.00264 0.00526 125 2PY -0.01732 -0.00282 -0.00553 0.00031 -0.00815 126 2PZ -0.01181 -0.01903 -0.03806 0.00231 -0.00188 127 3S -0.02846 -0.00477 -0.01425 0.00045 0.00730 128 3PX 0.01788 0.02014 0.02387 -0.00973 -0.00637 129 3PY 0.00477 -0.00650 -0.00532 0.00532 -0.00234 130 3PZ -0.01338 -0.01303 -0.02557 0.00139 0.00014 131 4XX -0.00067 -0.00031 -0.00458 0.00007 0.00073 132 4YY 0.00161 0.00002 0.00153 -0.00031 -0.00071 133 4ZZ -0.00050 0.00078 0.00305 0.00031 0.00002 134 4XY -0.00017 0.00019 0.00010 -0.00088 -0.00118 135 4XZ 0.00045 -0.00020 0.00037 -0.00045 -0.00037 136 4YZ 0.00062 -0.00044 0.00013 0.00090 0.00185 137 17 C 1S 0.00032 0.00189 0.00272 0.00189 0.00272 138 2S -0.00251 -0.00551 -0.00661 -0.00551 -0.00661 139 2PX 0.00236 0.00398 0.00748 0.00398 0.00748 140 2PY -0.00311 -0.00120 -0.00477 0.00120 0.00477 141 2PZ 0.00527 -0.00844 -0.00091 -0.00844 -0.00090 142 3S -0.00319 -0.00814 -0.01073 -0.00814 -0.01073 143 3PX 0.00077 -0.00445 -0.00291 -0.00445 -0.00291 144 3PY -0.00099 0.00432 0.00731 -0.00432 -0.00731 145 3PZ 0.00219 -0.00992 0.00070 -0.00993 0.00070 146 4XX -0.00032 0.00060 0.00160 0.00060 0.00160 147 4YY 0.00021 0.00010 0.00113 0.00010 0.00113 148 4ZZ 0.00022 -0.00050 -0.00256 -0.00050 -0.00256 149 4XY -0.00011 -0.00027 -0.00147 0.00027 0.00147 150 4XZ 0.00000 -0.00039 -0.00094 -0.00039 -0.00094 151 4YZ 0.00036 0.00016 0.00313 -0.00016 -0.00313 152 18 H 1S -0.00416 0.00507 0.01532 -0.00257 -0.00622 153 2S -0.00116 0.00721 0.01712 -0.00697 -0.01089 154 19 H 1S 0.00163 -0.00402 -0.00757 -0.00402 -0.00757 155 2S 0.00218 0.00596 -0.00843 0.00596 -0.00843 156 20 H 1S -0.00894 -0.00257 -0.00622 0.00507 0.01532 157 2S -0.01062 -0.00697 -0.01089 0.00721 0.01712 158 21 O 1S 0.00064 -0.00029 -0.00186 0.00248 -0.00390 159 2S -0.00182 0.00059 0.00406 -0.00571 0.00520 160 2PX 0.00851 -0.00035 0.00767 0.00293 -0.03406 161 2PY -0.00308 -0.00238 0.00836 0.00146 -0.03726 162 2PZ 0.00135 0.00406 -0.00690 -0.00480 0.06462 163 3S -0.00272 0.00245 0.01129 -0.01334 0.00935 164 3PX 0.00714 0.00061 0.00768 -0.00015 -0.02980 165 3PY -0.00308 -0.00185 0.00727 -0.00175 -0.02634 166 3PZ 0.00040 0.00296 -0.00400 -0.00079 0.04874 167 4XX 0.00008 0.00050 0.00018 -0.00054 0.00006 168 4YY -0.00003 -0.00015 0.00006 -0.00055 -0.00276 169 4ZZ -0.00024 -0.00026 -0.00050 0.00098 0.00098 170 4XY 0.00002 0.00004 0.00018 0.00014 -0.00087 171 4XZ -0.00006 -0.00001 0.00031 -0.00117 -0.00114 172 4YZ -0.00028 -0.00004 -0.00058 -0.00064 0.00220 173 22 O 1S -0.00252 0.00248 -0.00390 -0.00029 -0.00186 174 2S 0.00539 -0.00571 0.00520 0.00059 0.00406 175 2PX -0.00053 0.00293 -0.03405 -0.00035 0.00767 176 2PY 0.00903 -0.00146 0.03725 0.00238 -0.00836 177 2PZ -0.00038 -0.00480 0.06462 0.00407 -0.00691 178 3S 0.01044 -0.01334 0.00935 0.00245 0.01129 179 3PX -0.00212 -0.00015 -0.02980 0.00061 0.00768 180 3PY 0.00531 0.00175 0.02633 0.00185 -0.00727 181 3PZ 0.00268 -0.00079 0.04875 0.00296 -0.00400 182 4XX -0.00088 -0.00054 0.00006 0.00050 0.00018 183 4YY -0.00030 -0.00055 -0.00276 -0.00015 0.00006 184 4ZZ 0.00018 0.00098 0.00098 -0.00026 -0.00050 185 4XY 0.00009 -0.00014 0.00087 -0.00004 -0.00018 186 4XZ 0.00014 -0.00117 -0.00114 -0.00001 0.00031 187 4YZ 0.00048 0.00064 -0.00220 0.00004 0.00058 188 23 H 1S -0.00051 0.00266 0.00726 0.00266 0.00726 189 2S 0.00036 0.00703 0.01618 0.00703 0.01618 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.17586 0.16496 103 13 H 1S -0.00897 -0.00497 0.21529 104 2S -0.00567 -0.00227 0.17308 0.15893 105 14 H 1S -0.00529 -0.01306 -0.03157 -0.03521 0.21529 106 2S -0.01224 -0.01808 -0.03521 -0.03751 0.17308 107 15 C 1S 0.00408 0.00292 -0.00263 -0.00281 -0.00124 108 2S -0.00633 -0.00297 0.00805 0.01140 0.00104 109 2PX 0.01726 0.02258 -0.02530 -0.05155 -0.00605 110 2PY 0.01446 0.01732 -0.00457 -0.00982 -0.00206 111 2PZ -0.00486 -0.01181 0.02413 0.05074 0.00384 112 3S -0.02949 -0.02846 -0.00338 0.00315 0.01568 113 3PX 0.01402 0.01788 -0.03165 -0.05085 0.00285 114 3PY -0.00485 -0.00477 -0.01292 -0.02065 0.00665 115 3PZ -0.00815 -0.01338 0.01169 0.02778 0.00496 116 4XX 0.00033 -0.00067 0.00042 0.00044 -0.00012 117 4YY 0.00113 0.00161 -0.00006 -0.00015 0.00032 118 4ZZ -0.00055 -0.00050 -0.00121 -0.00139 -0.00055 119 4XY 0.00137 0.00017 -0.00009 -0.00071 -0.00128 120 4XZ -0.00012 0.00045 0.00067 0.00051 0.00051 121 4YZ -0.00127 -0.00062 0.00002 0.00017 0.00126 122 16 C 1S -0.00154 -0.00261 -0.00124 -0.00321 -0.00263 123 2S 0.00206 0.00376 0.00104 0.00341 0.00805 124 2PX 0.00479 -0.00464 -0.00605 -0.02198 -0.02530 125 2PY -0.00970 -0.01643 0.00206 0.00740 0.00456 126 2PZ -0.00401 0.00638 0.00384 0.01342 0.02413 127 3S 0.02037 0.02622 0.01568 0.02780 -0.00338 128 3PX 0.00386 -0.00368 0.00285 -0.00370 -0.03165 129 3PY -0.01136 -0.01246 -0.00665 -0.00430 0.01292 130 3PZ -0.00076 0.00671 0.00496 0.01380 0.01169 131 4XX -0.00022 0.00028 -0.00012 0.00000 0.00042 132 4YY 0.00017 0.00015 0.00033 0.00033 -0.00006 133 4ZZ -0.00023 -0.00083 -0.00055 -0.00111 -0.00121 134 4XY -0.00116 -0.00147 0.00128 0.00256 0.00009 135 4XZ -0.00024 -0.00089 0.00051 0.00036 0.00067 136 4YZ 0.00057 0.00104 -0.00126 -0.00282 -0.00002 137 17 C 1S 0.00003 0.00032 -0.00112 -0.00173 -0.00112 138 2S -0.00057 -0.00251 0.00309 0.00488 0.00309 139 2PX -0.00048 0.00236 -0.00253 -0.00484 -0.00253 140 2PY -0.00079 0.00310 0.00028 0.00067 -0.00028 141 2PZ 0.00234 0.00527 0.00309 0.00346 0.00309 142 3S -0.00148 -0.00319 0.00385 0.00721 0.00385 143 3PX -0.00031 0.00077 0.00343 0.00266 0.00343 144 3PY 0.00086 0.00099 0.00247 0.00303 -0.00247 145 3PZ 0.00146 0.00219 0.00143 -0.00121 0.00143 146 4XX -0.00016 -0.00032 -0.00055 -0.00102 -0.00055 147 4YY 0.00008 0.00021 -0.00024 -0.00017 -0.00024 148 4ZZ 0.00006 0.00022 0.00048 0.00083 0.00048 149 4XY -0.00003 0.00011 -0.00017 0.00030 0.00017 150 4XZ 0.00021 0.00000 0.00018 0.00000 0.00018 151 4YZ 0.00029 -0.00036 0.00005 -0.00052 -0.00005 152 18 H 1S -0.00202 -0.00894 0.00248 0.00447 -0.00511 153 2S -0.00284 -0.01062 0.00465 0.00591 -0.00977 154 19 H 1S 0.00045 0.00163 0.00356 0.00648 0.00356 155 2S 0.00001 0.00218 0.00220 0.00730 0.00220 156 20 H 1S -0.00805 -0.00416 -0.00511 -0.01065 0.00248 157 2S -0.00435 -0.00116 -0.00977 -0.01718 0.00465 158 21 O 1S 0.00030 -0.00252 -0.00177 -0.00270 0.00058 159 2S -0.00116 0.00539 0.00218 0.00417 -0.00069 160 2PX 0.00314 -0.00053 -0.00116 -0.00434 0.00313 161 2PY 0.00246 -0.00903 0.00041 -0.00207 0.00275 162 2PZ -0.00083 -0.00038 -0.00143 0.00442 -0.00693 163 3S 0.00162 0.01044 0.01642 0.01705 -0.00618 164 3PX 0.00071 -0.00212 -0.00081 -0.00079 0.00336 165 3PY 0.00216 -0.00531 0.00446 0.00282 0.00131 166 3PZ 0.00107 0.00268 -0.00561 -0.00445 -0.00539 167 4XX -0.00078 -0.00088 0.00021 0.00130 0.00001 168 4YY 0.00045 -0.00030 -0.00032 -0.00042 0.00039 169 4ZZ -0.00011 0.00018 -0.00157 -0.00217 0.00029 170 4XY 0.00008 -0.00009 -0.00023 -0.00037 0.00021 171 4XZ -0.00013 0.00014 0.00065 0.00047 -0.00001 172 4YZ -0.00054 -0.00048 0.00028 0.00097 0.00001 173 22 O 1S 0.00027 0.00064 0.00058 0.00121 -0.00177 174 2S -0.00065 -0.00182 -0.00069 -0.00104 0.00218 175 2PX -0.00043 0.00851 0.00313 0.01766 -0.00116 176 2PY 0.00413 0.00308 -0.00275 -0.00414 -0.00040 177 2PZ 0.00615 0.00135 -0.00693 -0.02058 -0.00143 178 3S -0.00284 -0.00272 -0.00618 -0.01248 0.01642 179 3PX 0.00000 0.00714 0.00336 0.01546 -0.00081 180 3PY 0.00403 0.00308 -0.00131 -0.00143 -0.00446 181 3PZ 0.00529 0.00040 -0.00539 -0.01641 -0.00561 182 4XX -0.00014 0.00008 0.00001 0.00042 0.00021 183 4YY 0.00004 -0.00003 0.00039 0.00062 -0.00032 184 4ZZ 0.00006 -0.00024 0.00029 0.00048 -0.00157 185 4XY 0.00017 -0.00002 -0.00021 -0.00079 0.00023 186 4XZ 0.00000 -0.00006 -0.00001 -0.00008 0.00065 187 4YZ 0.00008 0.00028 -0.00001 0.00007 -0.00028 188 23 H 1S -0.00050 -0.00051 -0.00241 -0.00501 -0.00241 189 2S 0.00055 0.00036 -0.00705 -0.01208 -0.00705 106 107 108 109 110 106 2S 0.15893 107 15 C 1S -0.00321 2.05255 108 2S 0.00341 -0.06339 0.33288 109 2PX -0.02198 0.01203 -0.01861 0.34621 110 2PY -0.00740 -0.00506 0.01303 0.04016 0.43070 111 2PZ 0.01342 0.01511 -0.02721 -0.02220 0.02891 112 3S 0.02780 -0.17203 0.27248 -0.09835 -0.01737 113 3PX -0.00370 0.01878 -0.03665 0.16687 0.03759 114 3PY 0.00430 -0.00736 0.00397 0.05104 0.12294 115 3PZ 0.01380 0.00255 -0.01649 -0.08141 -0.01244 116 4XX 0.00000 -0.01177 -0.01308 0.01164 -0.00701 117 4YY 0.00033 -0.01725 -0.00102 -0.00623 0.01259 118 4ZZ -0.00111 -0.01571 -0.00410 -0.00185 -0.01309 119 4XY -0.00256 -0.00020 0.00034 -0.00113 0.00496 120 4XZ 0.00036 -0.00345 0.00809 0.01110 -0.00916 121 4YZ 0.00282 -0.00424 0.00860 -0.01262 -0.00768 122 16 C 1S -0.00281 0.01947 -0.04084 0.01341 -0.08014 123 2S 0.01140 -0.04084 0.07592 -0.02567 0.16580 124 2PX -0.05155 0.01341 -0.02567 0.16094 0.01946 125 2PY 0.00981 0.08014 -0.16581 -0.01944 -0.32464 126 2PZ 0.05074 -0.01089 0.01980 -0.09938 -0.03391 127 3S 0.00315 0.00180 0.02807 -0.06625 0.12944 128 3PX -0.05085 0.00344 -0.00368 0.09438 0.01941 129 3PY 0.02064 0.00105 -0.01885 -0.02432 -0.10079 130 3PZ 0.02778 -0.00661 0.01818 -0.06395 -0.03852 131 4XX 0.00044 0.00325 -0.00759 -0.00048 -0.01313 132 4YY -0.00015 -0.00653 0.01193 0.00092 0.00799 133 4ZZ -0.00139 0.00346 -0.00793 0.00233 -0.01007 134 4XY 0.00071 -0.00007 0.00037 -0.01259 -0.00563 135 4XZ 0.00051 0.00133 -0.00307 0.00017 -0.00448 136 4YZ -0.00017 -0.00081 0.00171 0.00512 -0.00037 137 17 C 1S -0.00173 -0.00316 0.00630 0.00913 0.01013 138 2S 0.00488 0.00672 -0.01756 -0.02190 -0.03218 139 2PX -0.00484 -0.01114 0.02806 0.02079 0.01614 140 2PY -0.00067 -0.00217 0.00474 0.03532 -0.02089 141 2PZ 0.00346 -0.00867 0.02121 0.03432 0.02129 142 3S 0.00721 0.00988 -0.01226 -0.04432 -0.05396 143 3PX 0.00266 -0.00779 0.01317 0.01209 0.01700 144 3PY -0.00303 -0.00139 0.00393 0.03155 -0.00044 145 3PZ -0.00121 -0.00626 0.01180 0.03283 0.02178 146 4XX -0.00102 -0.00162 0.00400 0.00735 -0.00167 147 4YY -0.00017 0.00217 -0.00464 -0.00888 0.00517 148 4ZZ 0.00083 -0.00094 0.00176 0.00479 -0.00206 149 4XY -0.00030 -0.00103 0.00239 0.00015 0.00067 150 4XZ 0.00000 -0.00005 0.00046 0.00444 0.00026 151 4YZ 0.00052 0.00000 -0.00012 0.00418 0.00250 152 18 H 1S -0.01065 0.01654 -0.03648 0.00832 -0.04030 153 2S -0.01718 0.02040 -0.04063 0.02370 -0.06419 154 19 H 1S 0.00648 -0.00289 0.00539 0.00914 -0.00538 155 2S 0.00730 -0.00328 0.00504 -0.00171 -0.00261 156 20 H 1S 0.00447 -0.06820 0.13566 -0.06571 -0.16920 157 2S 0.00591 -0.02048 0.04650 -0.03958 -0.13844 158 21 O 1S 0.00121 0.00537 -0.00687 -0.02953 0.00841 159 2S -0.00104 -0.00988 0.01073 0.06594 -0.03095 160 2PX 0.01766 0.05683 -0.12361 -0.16694 0.10827 161 2PY 0.00414 -0.02548 0.05165 0.09863 -0.03173 162 2PZ -0.02058 0.03477 -0.06519 -0.17835 0.07011 163 3S -0.01248 0.01404 -0.02641 0.06861 0.04043 164 3PX 0.01546 0.02658 -0.06226 -0.10154 0.05729 165 3PY 0.00143 -0.01946 0.03878 0.07146 -0.02507 166 3PZ -0.01641 0.01512 -0.02655 -0.08265 0.04075 167 4XX 0.00042 -0.00369 0.00605 -0.00641 -0.00823 168 4YY 0.00062 -0.00126 0.00120 0.00465 -0.00050 169 4ZZ 0.00048 -0.00089 0.00060 0.00145 -0.00487 170 4XY 0.00079 0.00464 -0.00907 -0.00889 -0.00340 171 4XZ -0.00008 -0.00489 0.00780 0.00431 -0.00310 172 4YZ -0.00007 0.00277 -0.00504 -0.01129 -0.00410 173 22 O 1S -0.00270 -0.00177 0.00495 0.00446 0.00162 174 2S 0.00417 0.00716 -0.01548 -0.01397 -0.01727 175 2PX -0.00434 -0.01256 0.02728 -0.07077 0.03230 176 2PY 0.00207 -0.02271 0.05458 0.02755 0.05833 177 2PZ 0.00442 0.00199 -0.00189 0.04870 0.05124 178 3S 0.01705 -0.00338 -0.00398 -0.01642 0.03056 179 3PX -0.00079 -0.00941 0.02046 -0.05944 0.01727 180 3PY -0.00282 -0.01410 0.03728 0.01911 0.03996 181 3PZ -0.00445 0.00235 -0.00387 0.04773 0.04116 182 4XX 0.00130 0.00027 0.00014 -0.00368 -0.00416 183 4YY -0.00042 0.00139 -0.00234 -0.00091 -0.00258 184 4ZZ -0.00217 0.00102 -0.00120 0.00256 -0.00250 185 4XY 0.00037 -0.00070 0.00154 0.00302 0.00608 186 4XZ 0.00047 -0.00006 0.00020 0.00117 0.00136 187 4YZ -0.00097 -0.00092 0.00213 0.00170 0.00473 188 23 H 1S -0.00501 -0.00481 0.01265 0.02127 -0.00579 189 2S -0.01208 -0.00437 0.01311 0.04174 0.00554 111 112 113 114 115 111 2PZ 0.37882 112 3S -0.02415 0.30238 113 3PX -0.08370 -0.06511 0.10751 114 3PY -0.01636 0.00109 0.03278 0.05314 115 3PZ 0.16318 0.01251 -0.06592 -0.02382 0.09326 116 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 117 4YY -0.00557 -0.00002 0.00019 0.00171 -0.00081 118 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 119 4XY -0.01134 0.00070 0.00125 0.00301 -0.00445 120 4XZ 0.00702 0.00261 0.00148 -0.00128 -0.00019 121 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 122 16 C 1S -0.01090 0.00180 0.00344 -0.00105 -0.00661 123 2S 0.01983 0.02807 -0.00368 0.01885 0.01819 124 2PX -0.09938 -0.06625 0.09438 0.02433 -0.06394 125 2PY 0.03383 -0.12945 -0.01940 -0.10079 0.03849 126 2PZ 0.11880 0.07404 -0.05076 -0.02189 0.08165 127 3S 0.07407 -0.02100 -0.03377 -0.01284 0.04415 128 3PX -0.05076 -0.03377 0.04459 0.01943 -0.04240 129 3PY 0.02186 0.01283 -0.01943 -0.02619 0.02097 130 3PZ 0.08165 0.04415 -0.04241 -0.02099 0.04847 131 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 132 4YY 0.00075 0.01064 -0.00134 0.00339 -0.00132 133 4ZZ -0.00379 -0.00858 0.00231 -0.00223 -0.00162 134 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 135 4XZ -0.00034 -0.00378 0.00085 -0.00203 0.00145 136 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 137 17 C 1S 0.00381 0.00669 0.00601 0.00710 0.00104 138 2S -0.01022 -0.01117 -0.01084 -0.01566 0.00196 139 2PX 0.02271 0.04029 0.01473 0.00224 0.01112 140 2PY 0.03814 -0.01438 0.02862 -0.02780 0.02414 141 2PZ 0.00270 0.03383 0.02619 0.00358 -0.00501 142 3S -0.00800 0.00698 -0.01789 -0.02482 0.01202 143 3PX 0.01128 0.01714 0.00544 0.00311 0.00396 144 3PY 0.03294 -0.00616 0.00958 -0.00233 0.00880 145 3PZ -0.00870 0.00195 0.02106 0.01081 -0.01370 146 4XX 0.00611 0.00033 0.00299 0.00046 0.00146 147 4YY -0.00718 -0.00421 -0.00355 0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00141 -0.00190 0.00199 149 4XY 0.00422 0.00110 -0.00345 0.00190 -0.00079 150 4XZ 0.00260 -0.00244 0.00084 0.00049 0.00027 151 4YZ -0.00145 0.00005 0.00060 0.00299 -0.00241 152 18 H 1S 0.00080 -0.06701 -0.00165 -0.02501 0.00188 153 2S 0.00812 -0.06604 0.00133 -0.02217 -0.00048 154 19 H 1S 0.00811 0.02075 0.00567 -0.00940 0.00564 155 2S 0.02479 0.03060 -0.00489 -0.01305 0.01770 156 20 H 1S -0.19078 0.13823 -0.01463 -0.04024 -0.06420 157 2S -0.15451 0.05310 0.00285 -0.02943 -0.05323 158 21 O 1S -0.02341 0.03365 0.00189 0.00926 0.00881 159 2S 0.05396 -0.08565 -0.00925 -0.02010 -0.02161 160 2PX -0.18560 -0.03606 -0.02842 0.01432 -0.03342 161 2PY 0.06629 0.06384 -0.00553 0.04341 0.00081 162 2PZ -0.08071 -0.07377 -0.06529 0.02437 -0.03147 163 3S 0.04688 -0.14502 -0.00221 -0.00576 -0.03622 164 3PX -0.09088 -0.00386 -0.02098 0.00217 -0.00671 165 3PY 0.04913 0.04535 -0.00212 0.02760 0.00144 166 3PZ -0.05659 -0.04401 -0.02602 0.01818 -0.02934 167 4XX 0.00739 0.00707 -0.00484 -0.00343 0.00474 168 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 169 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 170 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 171 4XZ -0.00128 0.00512 0.00090 -0.00065 -0.00175 172 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 173 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 174 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 175 2PX 0.04712 0.05189 -0.06279 -0.00293 0.01592 176 2PY 0.01346 0.11866 -0.01224 0.07006 -0.02566 177 2PZ -0.05768 -0.02256 0.04579 0.04206 -0.04494 178 3S -0.06696 0.06991 0.00818 0.04760 -0.02588 179 3PX 0.04763 0.04012 -0.05124 -0.00649 0.02008 180 3PY 0.01437 0.07833 -0.00944 0.04593 -0.01464 181 3PZ -0.05146 -0.02362 0.03962 0.03261 -0.03821 182 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 183 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 184 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 185 4XY -0.00086 -0.00119 0.00307 0.00152 -0.00019 186 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 187 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 188 23 H 1S 0.01276 0.00898 0.01226 -0.00076 0.00419 189 2S 0.00480 -0.00497 0.02403 0.00972 -0.00720 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00081 0.00124 118 4ZZ -0.00057 -0.00025 0.00166 119 4XY -0.00068 0.00016 0.00042 0.00146 120 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 121 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 122 16 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 123 2S -0.00759 0.01193 -0.00793 -0.00037 -0.00307 124 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 125 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00447 126 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 127 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 128 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 129 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 130 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 131 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 132 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 133 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 134 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 135 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 136 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 137 17 C 1S -0.00035 0.00097 -0.00113 -0.00146 -0.00001 138 2S 0.00108 -0.00241 0.00264 0.00346 0.00075 139 2PX -0.00362 0.00310 -0.00371 -0.00387 -0.00315 140 2PY 0.00023 0.00266 -0.00409 -0.00847 -0.00029 141 2PZ -0.00250 0.00292 -0.00353 -0.00433 -0.00327 142 3S -0.00051 -0.00182 0.00211 0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 -0.00192 -0.00119 144 3PY 0.00246 -0.00101 -0.00153 -0.00349 0.00166 145 3PZ -0.00320 0.00132 0.00096 -0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 -0.00034 -0.00016 149 4XY -0.00018 -0.00054 0.00069 0.00038 0.00063 150 4XZ 0.00044 -0.00030 0.00005 0.00031 0.00052 151 4YZ 0.00103 -0.00052 -0.00027 0.00013 0.00022 152 18 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 153 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 154 19 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 156 20 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 157 2S -0.00710 -0.00114 0.00780 0.00503 0.00106 158 21 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 159 2S 0.01019 -0.00416 0.00085 -0.01094 0.01112 160 2PX 0.00967 0.00837 -0.01393 0.00471 -0.02047 161 2PY 0.01247 -0.01670 0.00483 0.01114 0.01396 162 2PZ -0.02966 0.00734 0.02319 0.01508 -0.00360 163 3S 0.00915 -0.00037 -0.00055 -0.01372 0.00833 164 3PX 0.00838 0.00484 -0.01120 0.00028 -0.01239 165 3PY 0.00827 -0.01109 0.00301 0.00645 0.00952 166 3PZ -0.02041 0.00453 0.01586 0.00910 -0.00057 167 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 168 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 169 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 170 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 171 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 172 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 173 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 174 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 175 2PX 0.00181 -0.00322 -0.00312 -0.00571 -0.00061 176 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 177 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 178 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 179 3PX 0.00099 -0.00167 -0.00235 -0.00407 -0.00033 180 3PY 0.00137 -0.00393 -0.00032 -0.00219 0.00114 181 3PZ -0.00131 -0.00071 0.00283 -0.00122 0.00133 182 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 183 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 184 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 185 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 186 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 187 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 188 23 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 189 2S -0.00561 0.00070 0.00374 0.00106 0.00177 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00081 2.05255 123 2S -0.00171 -0.06339 0.33288 124 2PX -0.00512 0.01203 -0.01861 0.34621 125 2PY -0.00038 0.00506 -0.01302 -0.04015 0.43071 126 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02890 127 3S -0.00373 -0.17203 0.27248 -0.09835 0.01738 128 3PX -0.00559 0.01878 -0.03665 0.16687 -0.03758 129 3PY 0.00309 0.00736 -0.00397 -0.05102 0.12293 130 3PZ 0.00723 0.00255 -0.01649 -0.08141 0.01243 131 4XX 0.00047 -0.01177 -0.01308 0.01164 0.00700 132 4YY -0.00007 -0.01725 -0.00101 -0.00623 -0.01259 133 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01308 134 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 135 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 136 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00769 137 17 C 1S -0.00168 -0.00316 0.00630 0.00913 -0.01013 138 2S 0.00394 0.00672 -0.01756 -0.02190 0.03218 139 2PX -0.00431 -0.01114 0.02806 0.02079 -0.01614 140 2PY -0.00716 0.00217 -0.00474 -0.03532 -0.02088 141 2PZ -0.00376 -0.00866 0.02121 0.03431 -0.02129 142 3S 0.00486 0.00988 -0.01226 -0.04432 0.05396 143 3PX -0.00177 -0.00779 0.01317 0.01209 -0.01700 144 3PY -0.00356 0.00139 -0.00393 -0.03155 -0.00043 145 3PZ -0.00290 -0.00626 0.01180 0.03283 -0.02178 146 4XX -0.00033 -0.00162 0.00400 0.00735 0.00167 147 4YY -0.00008 0.00217 -0.00464 -0.00888 -0.00517 148 4ZZ 0.00022 -0.00094 0.00176 0.00479 0.00206 149 4XY -0.00005 0.00103 -0.00239 -0.00015 0.00067 150 4XZ 0.00015 -0.00005 0.00046 0.00444 -0.00026 151 4YZ 0.00040 0.00000 0.00012 -0.00418 0.00250 152 18 H 1S -0.00732 -0.06820 0.13566 -0.06571 0.16923 153 2S -0.00649 -0.02048 0.04650 -0.03958 0.13846 154 19 H 1S 0.00070 -0.00289 0.00539 0.00914 0.00537 155 2S 0.00148 -0.00328 0.00504 -0.00171 0.00261 156 20 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 157 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 158 21 O 1S 0.00418 -0.00177 0.00495 0.00446 -0.00162 159 2S -0.00916 0.00716 -0.01548 -0.01397 0.01727 160 2PX 0.01404 -0.01256 0.02728 -0.07077 -0.03231 161 2PY 0.00988 0.02271 -0.05458 -0.02756 0.05834 162 2PZ -0.00087 0.00200 -0.00190 0.04870 -0.05122 163 3S -0.01643 -0.00338 -0.00398 -0.01642 -0.03055 164 3PX 0.00876 -0.00941 0.02046 -0.05944 -0.01728 165 3PY 0.00552 0.01410 -0.03728 -0.01912 0.03997 166 3PZ -0.00239 0.00235 -0.00388 0.04773 -0.04114 167 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 168 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 169 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 170 4XY 0.00054 0.00070 -0.00154 -0.00302 0.00608 171 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 172 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 173 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 174 2S 0.00048 -0.00988 0.01073 0.06594 0.03094 175 2PX -0.00497 0.05683 -0.12361 -0.16694 -0.10824 176 2PY -0.00300 0.02547 -0.05164 -0.09860 -0.03170 177 2PZ -0.00360 0.03477 -0.06520 -0.17837 -0.07010 178 3S 0.00023 0.01404 -0.02641 0.06861 -0.04044 179 3PX -0.00223 0.02658 -0.06226 -0.10154 -0.05727 180 3PY -0.00193 0.01945 -0.03877 -0.07144 -0.02505 181 3PZ -0.00308 0.01512 -0.02656 -0.08266 -0.04074 182 4XX 0.00020 -0.00369 0.00605 -0.00641 0.00823 183 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 184 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 185 4XY 0.00023 -0.00464 0.00907 0.00889 -0.00340 186 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 187 4YZ -0.00002 -0.00277 0.00504 0.01130 -0.00410 188 23 H 1S -0.00170 -0.00481 0.01265 0.02127 0.00579 189 2S -0.00353 -0.00437 0.01311 0.04174 -0.00554 126 127 128 129 130 126 2PZ 0.37881 127 3S -0.02415 0.30239 128 3PX -0.08371 -0.06511 0.10751 129 3PY 0.01635 -0.00109 -0.03277 0.05313 130 3PZ 0.16318 0.01251 -0.06593 0.02381 0.09327 131 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 134 4XY 0.01134 -0.00070 -0.00125 0.00301 0.00445 135 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 136 4YZ 0.00937 -0.01358 0.00465 -0.00212 0.00057 137 17 C 1S 0.00381 0.00669 0.00601 -0.00710 0.00104 138 2S -0.01021 -0.01117 -0.01084 0.01566 0.00196 139 2PX 0.02271 0.04028 0.01473 -0.00224 0.01112 140 2PY -0.03815 0.01438 -0.02863 -0.02780 -0.02414 141 2PZ 0.00269 0.03383 0.02618 -0.00358 -0.00501 142 3S -0.00799 0.00698 -0.01789 0.02482 0.01202 143 3PX 0.01128 0.01714 0.00544 -0.00311 0.00396 144 3PY -0.03294 0.00616 -0.00959 -0.00233 -0.00879 145 3PZ -0.00871 0.00195 0.02106 -0.01080 -0.01370 146 4XX 0.00611 0.00033 0.00299 -0.00046 0.00146 147 4YY -0.00719 -0.00421 -0.00355 -0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00141 0.00190 0.00199 149 4XY -0.00422 -0.00110 0.00345 0.00190 0.00079 150 4XZ 0.00260 -0.00244 0.00084 -0.00049 0.00027 151 4YZ 0.00145 -0.00005 -0.00061 0.00299 0.00240 152 18 H 1S -0.19075 0.13823 -0.01463 0.04025 -0.06419 153 2S -0.15449 0.05310 0.00285 0.02944 -0.05323 154 19 H 1S 0.00811 0.02075 0.00567 0.00940 0.00565 155 2S 0.02480 0.03060 -0.00489 0.01304 0.01770 156 20 H 1S 0.00081 -0.06701 -0.00165 0.02501 0.00188 157 2S 0.00813 -0.06604 0.00133 0.02217 -0.00048 158 21 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 159 2S -0.01589 0.03953 -0.00018 -0.01381 0.00415 160 2PX 0.04712 0.05189 -0.06279 0.00293 0.01592 161 2PY -0.01344 -0.11865 0.01223 0.07006 0.02568 162 2PZ -0.05769 -0.02258 0.04579 -0.04204 -0.04494 163 3S -0.06696 0.06991 0.00818 -0.04760 -0.02589 164 3PX 0.04762 0.04012 -0.05124 0.00649 0.02008 165 3PY -0.01435 -0.07833 0.00943 0.04594 0.01465 166 3PZ -0.05147 -0.02363 0.03962 -0.03260 -0.03821 167 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 168 4YY 0.00126 -0.00668 -0.00009 0.00370 0.00190 169 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 170 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 171 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 172 4YZ -0.00040 -0.00089 -0.00049 0.00056 -0.00013 173 22 O 1S -0.02341 0.03365 0.00189 -0.00926 0.00881 174 2S 0.05396 -0.08565 -0.00925 0.02010 -0.02161 175 2PX -0.18562 -0.03606 -0.02842 -0.01432 -0.03342 176 2PY -0.06629 -0.06383 0.00554 0.04341 -0.00080 177 2PZ -0.08074 -0.07378 -0.06529 -0.02436 -0.03147 178 3S 0.04687 -0.14502 -0.00221 0.00576 -0.03622 179 3PX -0.09089 -0.00386 -0.02098 -0.00217 -0.00671 180 3PY -0.04913 -0.04534 0.00213 0.02760 -0.00143 181 3PZ -0.05660 -0.04402 -0.02602 -0.01817 -0.02935 182 4XX 0.00739 0.00707 -0.00484 0.00343 0.00474 183 4YY 0.00290 0.00255 0.00001 -0.00238 0.00049 184 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 185 4XY 0.01056 0.00459 0.00132 -0.00224 0.00177 186 4XZ -0.00128 0.00512 0.00090 0.00065 -0.00175 187 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 188 23 H 1S 0.01276 0.00898 0.01226 0.00076 0.00419 189 2S 0.00480 -0.00497 0.02403 -0.00972 -0.00720 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY 0.00068 -0.00016 -0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 136 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 137 17 C 1S -0.00035 0.00097 -0.00113 0.00146 -0.00001 138 2S 0.00108 -0.00241 0.00264 -0.00346 0.00075 139 2PX -0.00362 0.00310 -0.00371 0.00387 -0.00315 140 2PY -0.00023 -0.00266 0.00409 -0.00847 0.00029 141 2PZ -0.00250 0.00292 -0.00353 0.00433 -0.00327 142 3S -0.00051 -0.00181 0.00211 -0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 0.00192 -0.00119 144 3PY -0.00246 0.00101 0.00153 -0.00349 -0.00166 145 3PZ -0.00320 0.00132 0.00096 0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 -0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 -0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 0.00034 -0.00016 149 4XY 0.00018 0.00054 -0.00069 0.00038 -0.00063 150 4XZ 0.00044 -0.00030 0.00005 -0.00031 0.00052 151 4YZ -0.00103 0.00052 0.00027 0.00013 -0.00022 152 18 H 1S -0.01030 -0.00133 0.00727 -0.00491 0.00219 153 2S -0.00710 -0.00114 0.00780 -0.00503 0.00106 154 19 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 156 20 H 1S 0.00286 0.00066 0.00200 0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 158 21 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 159 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 160 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 161 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 162 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 163 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 164 3PX 0.00099 -0.00167 -0.00235 0.00407 -0.00033 165 3PY -0.00137 0.00393 0.00032 -0.00219 -0.00114 166 3PZ -0.00132 -0.00071 0.00284 0.00122 0.00133 167 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 168 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 169 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 170 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 171 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 172 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 173 22 O 1S -0.00408 0.00187 -0.00015 -0.00472 -0.00482 174 2S 0.01019 -0.00417 0.00085 0.01094 0.01112 175 2PX 0.00967 0.00838 -0.01394 -0.00470 -0.02047 176 2PY -0.01247 0.01669 -0.00483 0.01114 -0.01396 177 2PZ -0.02966 0.00734 0.02319 -0.01508 -0.00360 178 3S 0.00915 -0.00037 -0.00054 0.01372 0.00833 179 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 180 3PY -0.00827 0.01108 -0.00301 0.00645 -0.00951 181 3PZ -0.02041 0.00453 0.01586 -0.00909 -0.00057 182 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 183 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 184 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 185 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 186 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 187 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 188 23 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 189 2S -0.00561 0.00070 0.00374 -0.00106 0.00177 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00168 2.04980 138 2S -0.00394 -0.06512 0.34291 139 2PX 0.00431 -0.01454 0.02587 0.42805 140 2PY -0.00716 0.00000 0.00000 0.00000 0.29269 141 2PZ 0.00376 -0.01514 0.02464 -0.04321 -0.00001 142 3S -0.00486 -0.14988 0.26010 0.04455 0.00000 143 3PX 0.00177 -0.00856 0.01867 0.15540 0.00000 144 3PY -0.00356 0.00000 0.00000 0.00000 0.07096 145 3PZ 0.00290 -0.01236 0.02305 -0.00828 -0.00001 146 4XX 0.00033 -0.01782 0.00026 0.02407 0.00000 147 4YY 0.00008 -0.01312 -0.01025 -0.01562 0.00000 148 4ZZ -0.00022 -0.01764 -0.00043 -0.01022 0.00000 149 4XY -0.00005 0.00000 0.00000 0.00000 -0.02088 150 4XZ -0.00015 0.00060 -0.00098 -0.01140 0.00000 151 4YZ 0.00040 0.00000 0.00000 0.00000 -0.02050 152 18 H 1S -0.01375 -0.00735 0.02026 -0.01911 0.03007 153 2S -0.00999 -0.00777 0.02246 -0.02697 0.03202 154 19 H 1S -0.00070 -0.05992 0.12294 -0.07219 -0.00002 155 2S -0.00148 -0.01152 0.03386 -0.08281 -0.00002 156 20 H 1S 0.00732 -0.00735 0.02026 -0.01911 -0.03006 157 2S 0.00649 -0.00777 0.02246 -0.02697 -0.03201 158 21 O 1S 0.00025 0.00354 -0.00182 0.01529 0.02798 159 2S -0.00048 -0.00656 0.00256 -0.03725 -0.06678 160 2PX 0.00497 -0.02523 0.05125 -0.05310 -0.12286 161 2PY -0.00300 -0.05976 0.13128 -0.13976 -0.21995 162 2PZ 0.00360 -0.02423 0.04942 -0.05329 -0.13960 163 3S -0.00023 0.02100 -0.05475 -0.02476 -0.03596 164 3PX 0.00223 -0.00730 0.01639 -0.03746 -0.04929 165 3PY -0.00193 -0.03520 0.07588 -0.08011 -0.13390 166 3PZ 0.00308 -0.00646 0.01413 -0.01332 -0.06661 167 4XX -0.00020 0.00031 -0.00092 0.00985 0.00249 168 4YY -0.00029 -0.00712 0.01321 -0.01103 -0.01050 169 4ZZ 0.00046 0.00033 -0.00064 -0.00019 0.00109 170 4XY 0.00023 -0.00305 0.00577 0.00350 -0.00262 171 4XZ 0.00020 -0.00130 0.00169 0.00298 -0.00092 172 4YZ -0.00002 -0.00368 0.00688 -0.00514 -0.00522 173 22 O 1S -0.00418 0.00354 -0.00182 0.01529 -0.02798 174 2S 0.00916 -0.00656 0.00256 -0.03725 0.06679 175 2PX -0.01403 -0.02523 0.05125 -0.05310 0.12287 176 2PY 0.00988 0.05976 -0.13129 0.13977 -0.22000 177 2PZ 0.00087 -0.02422 0.04940 -0.05326 0.13957 178 3S 0.01643 0.02100 -0.05475 -0.02476 0.03596 179 3PX -0.00876 -0.00730 0.01639 -0.03746 0.04930 180 3PY 0.00553 0.03520 -0.07588 0.08011 -0.13393 181 3PZ 0.00239 -0.00646 0.01411 -0.01330 0.06660 182 4XX -0.00009 0.00031 -0.00092 0.00985 -0.00249 183 4YY -0.00082 -0.00712 0.01322 -0.01103 0.01051 184 4ZZ -0.00035 0.00033 -0.00064 -0.00019 -0.00109 185 4XY 0.00054 0.00305 -0.00577 -0.00350 -0.00262 186 4XZ -0.00007 -0.00130 0.00169 0.00298 0.00092 187 4YZ 0.00011 0.00368 -0.00687 0.00514 -0.00522 188 23 H 1S 0.00170 -0.05970 0.12411 0.27099 0.00001 189 2S 0.00353 -0.01231 0.03560 0.21706 0.00001 141 142 143 144 145 141 2PZ 0.42487 142 3S 0.05595 0.23348 143 3PX -0.01404 0.01604 0.06207 144 3PY -0.00001 0.00000 0.00000 0.02606 145 3PZ 0.14519 0.02154 -0.00376 0.00000 0.06494 146 4XX -0.00911 0.00239 0.00681 0.00000 0.00048 147 4YY -0.01616 -0.01289 -0.00513 0.00000 -0.00463 148 4ZZ 0.02326 0.00319 -0.00205 0.00000 0.00357 149 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 150 4XZ -0.01234 -0.00369 -0.00377 0.00000 -0.00400 151 4YZ -0.00001 0.00000 0.00000 -0.00288 0.00000 152 18 H 1S -0.01936 0.02999 -0.01339 0.02408 -0.00664 153 2S -0.03246 0.02717 -0.01775 0.02345 -0.00698 154 19 H 1S 0.26773 0.11640 -0.01756 -0.00001 0.08283 155 2S 0.21788 0.04307 -0.01695 0.00000 0.04488 156 20 H 1S -0.01936 0.02999 -0.01339 -0.02408 -0.00664 157 2S -0.03247 0.02717 -0.01775 -0.02345 -0.00698 158 21 O 1S 0.01502 0.02924 -0.00403 0.00234 -0.00333 159 2S -0.03600 -0.07390 0.00862 -0.00203 0.00686 160 2PX -0.05824 0.03114 0.00240 -0.04747 -0.06073 161 2PY -0.14525 0.09641 -0.05243 -0.01936 -0.05205 162 2PZ -0.05267 0.02272 -0.04081 -0.06257 0.03540 163 3S -0.02664 -0.13767 0.01708 0.00629 0.01928 164 3PX -0.01733 0.00867 0.00190 -0.02067 -0.03709 165 3PY -0.08593 0.05610 -0.03030 -0.00871 -0.03011 166 3PZ -0.03966 -0.00200 -0.02004 -0.03359 0.02610 167 4XX 0.00036 0.00126 0.00281 0.00039 0.00025 168 4YY -0.01121 0.00987 -0.00395 -0.00111 -0.00408 169 4ZZ 0.00932 0.00118 -0.00003 -0.00049 0.00221 170 4XY -0.00410 0.00446 0.00214 -0.00188 -0.00299 171 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 172 4YZ 0.00219 0.00523 -0.00267 -0.00254 0.00263 173 22 O 1S 0.01501 0.02924 -0.00403 -0.00234 -0.00333 174 2S -0.03598 -0.07390 0.00862 0.00202 0.00686 175 2PX -0.05822 0.03114 0.00240 0.04748 -0.06072 176 2PY 0.14522 -0.09641 0.05244 -0.01938 0.05204 177 2PZ -0.05262 0.02271 -0.04080 0.06256 0.03542 178 3S -0.02664 -0.13767 0.01708 -0.00630 0.01928 179 3PX -0.01732 0.00867 0.00190 0.02068 -0.03708 180 3PY 0.08592 -0.05610 0.03030 -0.00872 0.03010 181 3PZ -0.03964 -0.00200 -0.02003 0.03359 0.02611 182 4XX 0.00036 0.00126 0.00281 -0.00039 0.00025 183 4YY -0.01121 0.00987 -0.00395 0.00112 -0.00408 184 4ZZ 0.00932 0.00118 -0.00003 0.00049 0.00221 185 4XY 0.00410 -0.00446 -0.00214 -0.00188 0.00299 186 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 187 4YZ -0.00220 -0.00523 0.00267 -0.00254 -0.00263 188 23 H 1S -0.06516 0.10660 0.09600 0.00000 -0.00314 189 2S -0.07285 0.03009 0.06961 0.00000 0.00211 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00124 0.00343 148 4ZZ -0.00166 -0.00138 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 152 18 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 153 2S 0.00090 0.00129 -0.00371 0.00015 0.00044 154 19 H 1S -0.01122 -0.01263 0.02042 0.00000 -0.00575 155 2S -0.01622 -0.00903 0.02417 0.00000 -0.00384 156 20 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 157 2S 0.00090 0.00129 -0.00371 -0.00015 0.00044 158 21 O 1S 0.00248 -0.00615 0.00216 -0.00391 -0.00149 159 2S -0.00540 0.01471 -0.00417 0.00924 0.00368 160 2PX -0.02408 0.01377 0.00781 -0.00690 -0.00134 161 2PY 0.00102 -0.00405 0.00110 0.01984 0.01286 162 2PZ 0.00833 0.01598 -0.02693 0.01749 -0.00132 163 3S -0.00775 0.02322 -0.00867 0.00750 0.00155 164 3PX -0.01644 0.00749 0.00798 -0.00701 -0.00098 165 3PY 0.00129 -0.00301 0.00069 0.01253 0.00776 166 3PZ 0.00819 0.00990 -0.01914 0.01068 -0.00087 167 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 168 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 169 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 170 4XY -0.00079 0.00053 0.00004 -0.00053 -0.00029 171 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 172 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 173 22 O 1S 0.00248 -0.00616 0.00216 0.00391 -0.00149 174 2S -0.00540 0.01471 -0.00417 -0.00924 0.00368 175 2PX -0.02408 0.01377 0.00781 0.00690 -0.00134 176 2PY -0.00102 0.00404 -0.00109 0.01985 -0.01286 177 2PZ 0.00833 0.01598 -0.02693 -0.01748 -0.00133 178 3S -0.00775 0.02322 -0.00867 -0.00750 0.00155 179 3PX -0.01644 0.00749 0.00798 0.00701 -0.00098 180 3PY -0.00129 0.00300 -0.00068 0.01253 -0.00776 181 3PZ 0.00819 0.00990 -0.01913 -0.01068 -0.00087 182 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 183 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 184 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 185 4XY 0.00079 -0.00053 -0.00004 -0.00053 0.00029 186 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 187 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 188 23 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00523 189 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00337 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00063 0.21549 153 2S 0.00038 0.15285 0.12396 154 19 H 1S 0.00000 -0.00729 -0.01727 0.22401 155 2S 0.00000 -0.01839 -0.03270 0.18439 0.19878 156 20 H 1S -0.00063 -0.01120 -0.00665 -0.00729 -0.01839 157 2S -0.00038 -0.00665 0.00087 -0.01727 -0.03270 158 21 O 1S -0.00458 -0.00352 -0.00324 0.00889 0.00532 159 2S 0.01106 0.00990 0.00967 -0.02014 -0.01017 160 2PX 0.01703 -0.02878 -0.05948 0.02515 0.08191 161 2PY 0.02152 0.01996 0.04326 -0.01451 -0.02790 162 2PZ -0.00887 -0.00586 0.00656 -0.07388 -0.15915 163 3S 0.00927 0.01898 0.01364 -0.04560 -0.02895 164 3PX 0.01035 -0.02012 -0.04088 0.02839 0.07369 165 3PY 0.01360 0.01569 0.03097 -0.00975 -0.01832 166 3PZ -0.00786 -0.00329 0.00722 -0.06367 -0.12026 167 4XX -0.00048 -0.00004 0.00016 -0.00188 -0.00272 168 4YY 0.00102 0.00060 0.00203 0.00010 -0.00145 169 4ZZ -0.00007 -0.00074 -0.00140 0.00617 0.00636 170 4XY 0.00044 0.00076 -0.00066 0.00032 0.00176 171 4XZ 0.00032 -0.00092 -0.00084 0.00215 0.00178 172 4YZ -0.00038 0.00110 0.00143 0.00169 -0.00307 173 22 O 1S 0.00458 0.01458 0.01571 0.00889 0.00532 174 2S -0.01106 -0.02981 -0.03188 -0.02014 -0.01017 175 2PX -0.01703 0.01401 0.01598 0.02515 0.08191 176 2PY 0.02151 -0.01736 -0.02197 0.01453 0.02792 177 2PZ 0.00888 0.04332 0.07308 -0.07388 -0.15915 178 3S -0.00927 -0.07740 -0.06865 -0.04560 -0.02895 179 3PX -0.01035 0.00237 -0.00175 0.02839 0.07369 180 3PY 0.01360 -0.00923 -0.01054 0.00976 0.01834 181 3PZ 0.00787 0.03206 0.04917 -0.06367 -0.12026 182 4XX 0.00048 0.00288 0.00109 -0.00188 -0.00272 183 4YY -0.00102 0.00091 0.00186 0.00010 -0.00145 184 4ZZ 0.00007 0.00570 0.00403 0.00617 0.00636 185 4XY 0.00044 -0.00313 -0.00327 -0.00032 -0.00176 186 4XZ -0.00032 0.00366 0.00123 0.00215 0.00178 187 4YZ -0.00038 -0.00319 -0.00428 -0.00169 0.00307 188 23 H 1S 0.00000 -0.00083 0.00156 -0.04298 -0.08901 189 2S 0.00000 -0.00208 0.00583 -0.08219 -0.12033 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15285 0.12396 158 21 O 1S 0.01458 0.01571 2.07557 159 2S -0.02981 -0.03188 -0.17799 0.50359 160 2PX 0.01401 0.01598 -0.01251 0.02850 0.64791 161 2PY 0.01735 0.02196 0.03973 -0.07464 -0.02586 162 2PZ 0.04332 0.07308 -0.00478 0.00375 -0.13783 163 3S -0.07740 -0.06865 -0.24523 0.59250 0.04943 164 3PX 0.00237 -0.00175 -0.00938 0.02093 0.40599 165 3PY 0.00922 0.01053 0.02573 -0.04921 -0.03536 166 3PZ 0.03206 0.04917 -0.00453 0.00464 -0.14601 167 4XX 0.00288 0.00109 -0.01520 -0.00285 -0.01349 168 4YY 0.00091 0.00186 -0.01267 -0.00833 0.00249 169 4ZZ 0.00570 0.00403 -0.01397 -0.00547 0.00533 170 4XY 0.00313 0.00327 -0.00150 0.00344 0.02796 171 4XZ 0.00366 0.00123 -0.00372 0.00792 -0.00237 172 4YZ 0.00319 0.00428 -0.00139 0.00292 -0.00402 173 22 O 1S -0.00352 -0.00324 0.00092 -0.00175 -0.00451 174 2S 0.00990 0.00967 -0.00175 0.00434 0.00771 175 2PX -0.02878 -0.05948 -0.00451 0.00771 0.00552 176 2PY -0.01996 -0.04326 -0.01104 0.02888 -0.00092 177 2PZ -0.00586 0.00656 -0.00933 0.01775 -0.01625 178 3S 0.01898 0.01364 -0.01294 0.02675 0.03677 179 3PX -0.02012 -0.04088 -0.00662 0.01437 0.00623 180 3PY -0.01569 -0.03098 -0.00453 0.01241 -0.00192 181 3PZ -0.00329 0.00721 -0.01028 0.02059 -0.01000 182 4XX -0.00004 0.00016 0.00031 -0.00032 -0.00140 183 4YY 0.00060 0.00204 0.00035 -0.00120 0.00051 184 4ZZ -0.00074 -0.00140 -0.00024 0.00068 -0.00158 185 4XY -0.00076 0.00066 0.00079 -0.00193 -0.00037 186 4XZ -0.00092 -0.00084 0.00022 -0.00068 -0.00132 187 4YZ -0.00109 -0.00143 0.00075 -0.00177 0.00020 188 23 H 1S -0.00083 0.00156 0.01026 -0.02490 -0.06499 189 2S -0.00208 0.00583 0.00570 -0.01482 -0.11691 161 162 163 164 165 161 2PY 0.66562 162 2PZ -0.04102 0.71650 163 3S -0.21999 0.05273 0.75618 164 3PX -0.03487 -0.15871 0.03229 0.26578 165 3PY 0.42235 -0.03769 -0.14006 -0.03225 0.26980 166 3PZ -0.04620 0.46281 0.04136 -0.13780 -0.03459 167 4XX -0.00530 0.00322 -0.00421 -0.00785 -0.00286 168 4YY 0.04105 -0.00245 -0.01836 0.00029 0.02560 169 4ZZ -0.00589 -0.00731 -0.00646 0.00401 -0.00371 170 4XY -0.00808 -0.00450 0.00490 0.01726 -0.00594 171 4XZ 0.00090 -0.00743 0.00741 -0.00077 0.00087 172 4YZ -0.00308 0.02923 0.00413 -0.00508 -0.00252 173 22 O 1S 0.01105 -0.00933 -0.01294 -0.00662 0.00453 174 2S -0.02888 0.01775 0.02675 0.01437 -0.01241 175 2PX 0.00092 -0.01625 0.03677 0.00623 0.00192 176 2PY 0.13550 -0.00572 0.05940 -0.00134 0.10449 177 2PZ 0.00574 0.00705 0.07073 -0.00569 0.01085 178 3S -0.05941 0.07072 0.08394 0.02852 -0.02905 179 3PX 0.00134 -0.00569 0.02852 0.00658 0.00115 180 3PY 0.10449 -0.01084 0.02904 -0.00115 0.07829 181 3PZ 0.00174 0.01676 0.05953 -0.00632 0.00619 182 4XX -0.00226 -0.00269 -0.00148 -0.00031 -0.00118 183 4YY 0.00223 0.00072 -0.00513 -0.00009 0.00014 184 4ZZ -0.00197 -0.00342 0.00135 -0.00074 -0.00094 185 4XY -0.00332 0.00069 -0.00244 0.00008 -0.00244 186 4XZ -0.00299 -0.00072 -0.00058 -0.00070 -0.00179 187 4YZ -0.00194 -0.00060 -0.00258 -0.00036 -0.00155 188 23 H 1S -0.01387 0.02890 -0.04016 -0.05426 -0.00600 189 2S -0.03139 0.07565 -0.01085 -0.08762 -0.01562 166 167 168 169 170 166 3PZ 0.30850 167 4XX 0.00301 0.00104 168 4YY -0.00327 -0.00033 0.00294 169 4ZZ -0.00472 0.00002 -0.00023 0.00079 170 4XY -0.00506 -0.00037 -0.00030 0.00034 0.00161 171 4XZ -0.00424 0.00009 -0.00005 0.00011 -0.00008 172 4YZ 0.01812 0.00023 -0.00015 -0.00019 0.00006 173 22 O 1S -0.01028 0.00031 0.00035 -0.00024 -0.00079 174 2S 0.02059 -0.00032 -0.00120 0.00068 0.00193 175 2PX -0.01000 -0.00140 0.00051 -0.00158 0.00037 176 2PY -0.00173 0.00226 -0.00223 0.00197 -0.00332 177 2PZ 0.01676 -0.00269 0.00072 -0.00342 -0.00069 178 3S 0.05953 -0.00148 -0.00514 0.00135 0.00244 179 3PX -0.00632 -0.00031 -0.00009 -0.00074 -0.00008 180 3PY -0.00618 0.00118 -0.00014 0.00094 -0.00244 181 3PZ 0.02065 -0.00183 -0.00021 -0.00229 -0.00041 182 4XX -0.00184 0.00050 -0.00026 -0.00004 0.00010 183 4YY -0.00021 -0.00026 0.00085 -0.00029 0.00011 184 4ZZ -0.00229 -0.00004 -0.00029 0.00025 -0.00002 185 4XY 0.00041 -0.00010 -0.00011 0.00002 -0.00029 186 4XZ -0.00023 0.00005 -0.00015 0.00008 0.00001 187 4YZ -0.00015 0.00000 -0.00014 0.00004 -0.00012 188 23 H 1S 0.03093 0.00638 -0.00047 -0.00214 0.00191 189 2S 0.06848 0.00588 -0.00281 -0.00286 -0.00179 171 172 173 174 175 171 4XZ 0.00045 172 4YZ -0.00028 0.00151 173 22 O 1S 0.00022 -0.00075 2.07557 174 2S -0.00068 0.00177 -0.17799 0.50359 175 2PX -0.00132 -0.00020 -0.01251 0.02850 0.64791 176 2PY 0.00299 -0.00194 -0.03973 0.07464 0.02588 177 2PZ -0.00071 0.00060 -0.00479 0.00377 -0.13783 178 3S -0.00058 0.00257 -0.24523 0.59250 0.04943 179 3PX -0.00070 0.00036 -0.00938 0.02093 0.40599 180 3PY 0.00179 -0.00155 -0.02573 0.04921 0.03539 181 3PZ -0.00022 0.00015 -0.00453 0.00465 -0.14600 182 4XX 0.00005 0.00000 -0.01520 -0.00285 -0.01349 183 4YY -0.00015 0.00014 -0.01267 -0.00833 0.00249 184 4ZZ 0.00008 -0.00004 -0.01397 -0.00547 0.00533 185 4XY -0.00001 -0.00012 0.00150 -0.00344 -0.02796 186 4XZ 0.00004 -0.00002 -0.00372 0.00792 -0.00237 187 4YZ 0.00002 -0.00034 0.00139 -0.00292 0.00402 188 23 H 1S 0.00194 0.00018 0.01026 -0.02490 -0.06499 189 2S 0.00098 0.00080 0.00570 -0.01482 -0.11691 176 177 178 179 180 176 2PY 0.66560 177 2PZ 0.04101 0.71652 178 3S 0.21999 0.05276 0.75618 179 3PX 0.03490 -0.15870 0.03229 0.26578 180 3PY 0.42233 0.03769 0.14005 0.03227 0.26979 181 3PZ 0.04619 0.46282 0.04138 -0.13779 0.03459 182 4XX 0.00530 0.00322 -0.00421 -0.00785 0.00286 183 4YY -0.04105 -0.00244 -0.01835 0.00029 -0.02560 184 4ZZ 0.00589 -0.00732 -0.00646 0.00401 0.00371 185 4XY -0.00808 0.00450 -0.00490 -0.01726 -0.00594 186 4XZ -0.00090 -0.00743 0.00741 -0.00077 -0.00087 187 4YZ -0.00308 -0.02923 -0.00413 0.00508 -0.00252 188 23 H 1S 0.01387 0.02890 -0.04016 -0.05426 0.00600 189 2S 0.03138 0.07566 -0.01085 -0.08762 0.01561 181 182 183 184 185 181 3PZ 0.30851 182 4XX 0.00301 0.00104 183 4YY -0.00326 -0.00033 0.00294 184 4ZZ -0.00472 0.00002 -0.00023 0.00079 185 4XY 0.00506 0.00037 0.00030 -0.00034 0.00161 186 4XZ -0.00424 0.00009 -0.00005 0.00011 0.00008 187 4YZ -0.01812 -0.00023 0.00015 0.00019 0.00006 188 23 H 1S 0.03093 0.00638 -0.00047 -0.00214 -0.00191 189 2S 0.06848 0.00588 -0.00281 -0.00286 0.00179 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00028 0.00151 188 23 H 1S 0.00194 -0.00018 0.22350 189 2S 0.00098 -0.00080 0.17399 0.16571 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36896 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02961 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09567 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00047 0.00000 -0.00258 0.00000 17 2S -0.00047 0.00970 0.00000 0.04008 0.00000 18 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 19 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 21 3S -0.00027 0.01148 0.00000 0.03098 0.00000 22 3PX 0.00000 0.00000 0.01910 0.00000 0.00000 23 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 25 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 26 4YY -0.00026 0.00362 0.00000 0.00223 0.00000 27 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 28 4XY 0.00000 0.00000 0.00201 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00210 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 33 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 34 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 35 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 36 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 37 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 38 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 39 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 40 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 41 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 42 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 44 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 45 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 63 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 66 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 67 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 68 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 69 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 77 2S -0.00054 0.01134 0.02093 0.00935 0.01263 78 2PX -0.00132 0.02021 -0.00057 0.01792 0.03914 79 2PY -0.00067 0.00937 0.01826 -0.00036 0.00746 80 2PZ -0.00092 0.01358 0.03417 0.00933 0.00059 81 3S -0.00055 0.01143 0.02145 0.00591 0.01306 82 3PX -0.00102 0.01276 0.00242 0.00817 0.02060 83 3PY -0.00059 0.00676 0.00702 -0.00073 0.00274 84 3PZ -0.00032 0.00386 0.01528 0.00376 0.00259 85 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 86 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 87 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 88 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 89 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 90 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 91 7 H 1S -0.00198 0.03084 0.02436 0.02405 0.04948 92 2S -0.00120 0.01190 0.01601 0.01555 0.03425 93 8 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 94 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00003 0.00051 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 101 12 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 102 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 104 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 113 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 114 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 115 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 116 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 128 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 129 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 130 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00011 0.00000 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.25009 7 3PX 0.00000 0.12000 8 3PY 0.00000 0.00000 0.06237 9 3PZ 0.00000 0.00000 0.00000 0.09328 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00027 0.00000 -0.00172 0.00000 0.00000 17 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 18 2PX 0.00000 0.01910 0.00000 0.00000 0.00000 19 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 20 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 21 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 22 3PX 0.00000 0.02602 0.00000 0.00000 0.00000 23 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 24 3PZ 0.00000 0.00000 0.00000 0.02466 0.00000 25 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 26 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 27 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 28 4XY 0.00000 0.00097 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 31 3 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 32 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 33 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 34 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 35 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 36 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 37 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 38 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 39 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 40 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 41 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 42 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 43 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 44 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 45 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00028 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 62 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 63 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 64 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 65 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 66 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 67 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 68 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 69 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 70 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 71 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 72 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 73 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 74 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 75 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 76 6 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 77 2S 0.00574 0.01224 0.00249 0.00196 0.00050 78 2PX 0.00750 0.00367 0.01210 0.01594 -0.00076 79 2PY 0.01238 0.00805 0.00131 0.00065 0.00066 80 2PZ 0.00721 0.01436 0.00369 0.00349 0.00099 81 3S -0.01474 0.01146 0.00031 0.00069 0.00113 82 3PX -0.00312 0.01823 0.01058 0.01516 -0.00122 83 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 84 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 85 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 86 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 87 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 88 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 89 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 90 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 91 7 H 1S 0.04347 0.00828 0.01001 0.02192 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02135 0.00026 93 8 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 94 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 95 9 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 96 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 99 11 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 100 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 101 12 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 102 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 103 13 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 104 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 105 14 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 106 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 107 15 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 108 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 109 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 110 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 111 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 112 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 113 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 114 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 115 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 116 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 117 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 120 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 124 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 125 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 126 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 127 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 128 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 129 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 130 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 131 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 153 2S 0.00017 0.00120 0.00023 0.00028 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 157 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 164 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 165 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 166 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00002 0.00006 0.00001 0.00000 0.00000 179 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 180 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 181 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00362 -0.00047 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 19 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 21 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 23 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 25 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00002 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 34 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 35 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 36 3S 0.00009 0.00005 0.00014 0.00000 0.00009 37 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 38 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 39 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00001 0.00000 0.00001 0.00000 63 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 66 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 67 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 68 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 69 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 77 2S -0.00046 0.00001 0.00083 0.00096 0.00068 78 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 79 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 80 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 81 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 82 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 83 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 84 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 85 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 86 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 87 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 88 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 89 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 94 2S -0.00017 0.00014 0.00012 0.00000 0.00026 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 102 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00002 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 128 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.01361 0.32496 18 2PX 0.00000 0.00000 0.36896 19 2PY 0.00000 0.00000 0.00000 0.41335 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 21 3S -0.02961 0.20116 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07886 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09567 25 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 27 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 32 2S -0.00054 0.01134 0.02093 0.00935 0.01263 33 2PX -0.00132 0.02021 -0.00057 0.01791 0.03915 34 2PY -0.00067 0.00936 0.01825 -0.00036 0.00746 35 2PZ -0.00092 0.01359 0.03418 0.00933 0.00059 36 3S -0.00055 0.01143 0.02145 0.00590 0.01306 37 3PX -0.00102 0.01276 0.00242 0.00816 0.02061 38 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 39 3PZ -0.00032 0.00387 0.01528 0.00376 0.00258 40 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 41 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 42 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 43 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 44 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 45 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 48 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 51 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 52 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 53 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 54 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 64 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 65 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 66 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 67 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 68 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 69 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 78 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 79 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 80 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 81 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 82 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 83 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 84 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 85 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 86 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 93 8 H 1S -0.00198 0.03084 0.02436 0.02406 0.04947 94 2S -0.00120 0.01190 0.01601 0.01556 0.03424 95 9 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 96 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00003 0.00051 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 113 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 114 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 115 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 128 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 129 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 130 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00011 0.00000 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.25009 22 3PX 0.00000 0.12000 23 3PY 0.00000 0.00000 0.06236 24 3PZ 0.00000 0.00000 0.00000 0.09329 25 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 26 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 27 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 32 2S 0.00574 0.01224 0.00249 0.00196 0.00050 33 2PX 0.00750 0.00367 0.01210 0.01595 -0.00076 34 2PY 0.01237 0.00805 0.00131 0.00065 0.00066 35 2PZ 0.00722 0.01437 0.00369 0.00348 0.00099 36 3S -0.01474 0.01146 0.00031 0.00069 0.00113 37 3PX -0.00312 0.01823 0.01057 0.01516 -0.00122 38 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 39 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 40 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 41 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 42 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 43 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 44 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 45 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 46 4 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 47 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 48 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 49 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 50 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 51 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 52 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 53 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 54 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 55 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 56 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 57 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 58 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 60 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 61 5 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 62 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 63 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 64 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 65 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 66 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 67 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 68 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 69 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 70 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 71 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 72 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 73 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 74 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 75 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 76 6 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 77 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 78 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 79 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 80 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 81 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 82 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 83 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 84 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 85 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 86 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 87 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 88 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 89 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 90 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 94 2S 0.03825 0.00516 0.00740 0.02134 0.00026 95 9 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 96 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 100 2S 0.00036 0.00036 0.00040 -0.00010 0.00000 101 12 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 102 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 103 13 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 104 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 105 14 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 106 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 108 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 109 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 110 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 111 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 112 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 113 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 114 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 115 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 116 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 119 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 123 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 124 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 125 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 126 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 127 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 128 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 129 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 130 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 131 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 132 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 153 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 157 2S 0.00017 0.00120 0.00023 0.00028 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00002 0.00006 0.00001 0.00000 0.00000 164 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 165 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 166 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 179 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 180 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 181 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 182 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00006 0.00089 28 4XY 0.00000 0.00000 0.00095 29 4XZ 0.00000 0.00000 0.00000 0.00067 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 31 3 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 32 2S -0.00046 0.00001 0.00083 0.00096 0.00068 33 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 34 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 35 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 36 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 37 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 38 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 39 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 40 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 41 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 42 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 43 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 44 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 45 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00001 0.00000 48 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 51 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 52 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 53 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 54 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 67 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 68 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 69 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00002 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 79 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 80 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 81 3S 0.00009 0.00005 0.00014 0.00000 0.00009 82 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 83 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 84 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 94 2S -0.00135 0.00254 0.00027 0.00030 0.00052 95 9 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 96 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 113 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00002 0.00000 0.00000 0.00000 0.00000 128 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.01344 0.32633 33 2PX 0.00000 0.00000 0.35439 34 2PY 0.00000 0.00000 0.00000 0.41151 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 36 3S -0.03645 0.23612 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 40 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 41 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 42 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00019 -0.00012 -0.00024 -0.00095 47 2S -0.00020 0.00510 0.00225 0.00423 0.01884 48 2PX -0.00009 0.00177 0.00002 0.00094 0.00649 49 2PY -0.00019 0.00372 0.00070 -0.00061 0.01258 50 2PZ -0.00117 0.02397 0.00790 0.01390 0.04482 51 3S 0.00013 0.00692 0.00564 0.00982 0.01743 52 3PX -0.00008 0.00179 0.00000 0.00069 0.00365 53 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 54 3PZ -0.00127 0.01980 0.00425 0.00822 0.01548 55 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 56 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 57 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 58 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 59 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 60 4YZ -0.00005 0.00083 0.00023 0.00005 0.00129 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 63 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 64 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 65 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 66 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 67 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 68 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 69 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 78 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 79 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 81 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 82 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 83 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 94 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 95 9 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 96 2S -0.00121 0.01237 0.00024 0.06457 0.00048 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00009 0.00011 0.00015 0.00006 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00000 0.00006 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 113 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 114 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 115 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 153 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 179 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 180 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 181 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.30061 37 3PX 0.00000 0.12488 38 3PY 0.00000 0.00000 0.05321 39 3PZ 0.00000 0.00000 0.00000 0.09658 40 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 41 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 42 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 47 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 48 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 49 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 50 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 51 3S 0.00013 0.00758 0.00649 -0.00033 -0.00076 52 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 53 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 54 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 55 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 56 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 57 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 58 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 59 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 60 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 61 5 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 62 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 63 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 64 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 65 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 66 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 67 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 68 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 69 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 70 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 71 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 72 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 73 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 74 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 75 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 76 6 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 77 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 78 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 79 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 81 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 82 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 83 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 84 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 85 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 86 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 87 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 88 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 94 2S -0.01509 -0.01064 -0.00027 -0.00394 0.00015 95 9 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 96 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 97 10 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 99 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 100 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 101 12 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 109 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 110 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 111 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 112 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 113 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 114 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 115 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 116 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 117 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 118 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 119 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 120 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 121 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 122 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 153 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 160 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 164 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 165 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 166 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 174 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 175 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 176 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 177 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 178 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 179 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 180 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 181 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 182 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 183 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00024 0.00145 43 4XY 0.00000 0.00000 0.00042 44 4XZ 0.00000 0.00000 0.00000 0.00069 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 46 4 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 47 2S -0.00028 0.00173 0.00008 0.00027 0.00071 48 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 49 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 50 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 51 3S -0.00147 0.00324 0.00007 0.00015 0.00038 52 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 53 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 54 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 55 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 56 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 57 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 58 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 59 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 60 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 67 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 68 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 69 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00002 0.00001 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 95 9 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 96 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 113 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 114 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 115 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00002 0.00003 0.00000 0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41187 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10249 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 62 2S -0.00013 0.00349 0.00000 0.02291 0.00000 63 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 64 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 66 3S 0.00028 0.00260 0.00000 0.02762 0.00000 67 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 68 3PY -0.00147 0.02052 0.00000 0.03407 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 70 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 71 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 72 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 73 4XY 0.00000 0.00000 0.00114 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00104 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 80 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 81 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 82 3PX 0.00001 -0.00009 -0.00004 -0.00020 -0.00019 83 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 84 3PZ 0.00001 -0.00046 0.00005 -0.00158 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00008 0.00009 0.00001 0.00033 95 9 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 96 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 97 10 H 1S -0.00170 0.02784 0.07933 0.01254 0.00673 98 2S -0.00043 0.00951 0.05033 0.00744 0.00404 99 11 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 100 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00006 0.00000 0.00029 0.00004 103 13 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 104 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 105 14 H 1S -0.00166 0.02734 0.04266 0.00966 0.04456 106 2S -0.00064 0.00994 0.02850 0.00580 0.02893 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 113 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 114 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 115 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 124 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 127 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 128 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 129 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 130 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00001 0.00000 0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 179 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 180 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.30210 52 3PX 0.00000 0.08585 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09074 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00028 0.00000 -0.00147 0.00000 0.00000 62 2S 0.00260 0.00000 0.02051 0.00000 -0.00023 63 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 64 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 65 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 66 3S -0.01566 0.00000 0.01958 0.00000 -0.00079 67 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 68 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 69 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 70 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 71 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 72 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 73 4XY 0.00000 0.00074 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00072 0.00000 76 6 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 77 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 78 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 79 2PY -0.00336 -0.00018 -0.00450 -0.00024 0.00000 80 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 81 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 82 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 83 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 84 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 85 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 86 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 87 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 88 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 89 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 90 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 94 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 95 9 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 96 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 97 10 H 1S 0.03034 0.05115 0.00786 0.00549 0.00438 98 2S -0.00478 0.04890 0.00646 0.00408 0.00431 99 11 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 100 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 101 12 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 102 2S 0.00130 0.00003 0.00301 0.00018 0.00000 103 13 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 104 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 105 14 H 1S 0.03402 0.02647 0.00710 0.02917 0.00062 106 2S 0.01332 0.02783 0.00655 0.02844 0.00050 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 109 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 110 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 111 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 112 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 113 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 114 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 115 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 116 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 123 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 124 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 125 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 126 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 127 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 128 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 129 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 130 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 131 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 132 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 153 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 161 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 163 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 164 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 165 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 166 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 175 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 176 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 177 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 178 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 179 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 180 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 181 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 182 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 183 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 184 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 62 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 64 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 66 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 68 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 70 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 72 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00016 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00012 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00001 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 81 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 82 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 83 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 84 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 95 9 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 96 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 97 10 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 98 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 100 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 103 13 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 104 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 105 14 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 106 2S -0.00155 0.00172 0.00021 0.00078 0.00021 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00001 0.00001 113 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 115 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 127 3S -0.00002 0.00004 0.00000 0.00002 0.00000 128 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 130 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.01170 0.30682 63 2PX 0.00000 0.00000 0.41187 64 2PY 0.00000 0.00000 0.00000 0.38124 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 66 3S -0.03425 0.22724 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.09887 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 70 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 71 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 72 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00020 -0.00009 -0.00019 -0.00117 77 2S -0.00019 0.00510 0.00177 0.00371 0.02398 78 2PX -0.00012 0.00225 0.00002 0.00070 0.00790 79 2PY -0.00024 0.00423 0.00094 -0.00061 0.01390 80 2PZ -0.00095 0.01884 0.00649 0.01257 0.04483 81 3S -0.00008 0.00439 0.00232 0.00318 0.02221 82 3PX -0.00013 0.00144 0.00002 0.00032 0.00379 83 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 84 3PZ -0.00056 0.01093 0.00151 0.00723 0.01200 85 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 86 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 87 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 88 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 89 4XZ -0.00002 0.00027 0.00055 0.00016 0.00037 90 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00006 0.00000 0.00029 0.00004 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 99 11 H 1S -0.00170 0.02784 0.07933 0.01254 0.00673 100 2S -0.00043 0.00951 0.05033 0.00744 0.00403 101 12 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 102 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 103 13 H 1S -0.00166 0.02734 0.04266 0.00967 0.04456 104 2S -0.00064 0.00994 0.02850 0.00581 0.02893 105 14 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 106 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 109 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 112 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 113 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 114 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 115 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 128 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 129 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 130 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00001 0.00000 0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 164 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 165 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 166 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.30210 67 3PX 0.00000 0.08585 68 3PY 0.00000 0.00000 0.08588 69 3PZ 0.00000 0.00000 0.00000 0.09074 70 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 71 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 72 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00013 -0.00008 -0.00024 -0.00127 0.00000 77 2S 0.00692 0.00179 0.00226 0.01980 -0.00030 78 2PX 0.00564 0.00000 0.00058 0.00425 0.00003 79 2PY 0.00981 0.00068 0.00034 0.00821 -0.00007 80 2PZ 0.01744 0.00365 0.00759 0.01549 -0.00038 81 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 82 3PX 0.00758 -0.00074 0.00009 0.00263 -0.00026 83 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 84 3PZ -0.00033 0.00122 0.00562 0.00190 0.00003 85 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 86 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 87 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 88 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 89 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 90 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 95 9 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 96 2S 0.00130 0.00003 0.00301 0.00018 0.00000 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 99 11 H 1S 0.03034 0.05115 0.00787 0.00549 0.00438 100 2S -0.00478 0.04890 0.00646 0.00408 0.00431 101 12 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 102 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 103 13 H 1S 0.03402 0.02647 0.00710 0.02917 0.00062 104 2S 0.01332 0.02783 0.00656 0.02843 0.00050 105 14 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 106 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 107 15 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 108 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 109 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 110 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 111 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 112 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 113 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 114 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 115 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 116 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 117 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 124 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 125 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 126 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 127 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 128 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 129 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 130 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 131 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 157 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 160 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 161 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 162 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 163 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 164 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 165 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 166 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 167 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 168 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 169 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 176 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 178 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 179 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 180 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 181 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00011 0.00105 73 4XY 0.00000 0.00000 0.00096 74 4XZ 0.00000 0.00000 0.00000 0.00130 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 76 6 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 77 2S -0.00018 0.00165 0.00007 0.00039 0.00082 78 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 79 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 80 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 81 3S -0.00038 0.00238 0.00004 0.00013 0.00035 82 3PX -0.00014 0.00065 0.00005 0.00053 0.00005 83 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 84 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 85 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 86 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 87 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 89 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 100 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 101 12 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 102 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 103 13 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 104 2S -0.00155 0.00172 0.00021 0.00078 0.00021 105 14 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 106 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 112 3S -0.00002 0.00004 0.00000 0.00002 0.00000 113 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 115 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00001 0.00001 128 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 130 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.01344 0.32633 78 2PX 0.00000 0.00000 0.35439 79 2PY 0.00000 0.00000 0.00000 0.41151 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 81 3S -0.03645 0.23612 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 85 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 86 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 87 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00023 0.00019 0.00011 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 100 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 101 12 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 102 2S -0.00121 0.01237 0.00024 0.06456 0.00049 103 13 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 104 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00006 0.00001 0.00010 0.00023 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 109 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 110 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 111 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 112 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 113 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 114 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 115 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 116 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 128 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 129 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 130 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00003 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 157 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 164 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 165 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 166 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.30061 82 3PX 0.00000 0.12488 83 3PY 0.00000 0.00000 0.05321 84 3PZ 0.00000 0.00000 0.00000 0.09658 85 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 86 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 87 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 93 8 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 94 2S 0.00169 0.00167 0.00108 0.00063 0.00000 95 9 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 96 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 99 11 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 100 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 101 12 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 102 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 103 13 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 104 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 105 14 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 106 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 107 15 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 108 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 109 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 110 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 111 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 112 3S 0.00126 0.00244 0.00172 0.00107 0.00037 113 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 114 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 115 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 116 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 117 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 118 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 119 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 120 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 124 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 125 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 126 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 127 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 128 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 129 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 130 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 131 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 132 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 133 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 134 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 135 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 136 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 153 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 157 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 158 21 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 159 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 160 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 161 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 162 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 163 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 164 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 165 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 166 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 167 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 168 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 169 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 175 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 179 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 180 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 181 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00024 0.00145 88 4XY 0.00000 0.00000 0.00042 89 4XZ 0.00000 0.00000 0.00000 0.00069 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00002 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 100 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 101 12 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 102 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 103 13 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 104 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 113 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 114 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 115 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 128 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 129 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 130 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00002 0.00003 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00093 0.21693 94 2S -0.00093 -0.00553 0.11783 0.17164 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00104 0.21714 96 2S 0.00000 -0.00014 -0.00105 -0.00589 0.11577 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 0.00002 0.00000 -0.00019 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00019 0.00000 0.00002 0.00000 101 12 H 1S -0.00001 -0.00104 0.00000 0.00000 0.00000 102 2S -0.00105 -0.00589 0.00000 -0.00014 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00005 -0.00017 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00009 0.00000 -0.00001 0.00000 110 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S 0.00001 0.00027 0.00000 -0.00007 0.00001 113 3PX 0.00001 0.00048 0.00000 -0.00003 -0.00001 114 3PY 0.00000 0.00001 0.00000 -0.00001 0.00003 115 3PZ -0.00002 -0.00021 0.00000 0.00004 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00009 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 -0.00007 0.00001 0.00027 -0.00055 128 3PX 0.00000 -0.00003 0.00001 0.00048 -0.00060 129 3PY 0.00000 -0.00001 0.00000 0.00001 0.00020 130 3PZ 0.00000 0.00004 -0.00002 -0.00021 -0.00018 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00027 -0.00011 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00003 0.00027 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00027 0.21593 98 2S -0.00001 0.11187 0.16629 99 11 H 1S 0.00000 -0.00003 -0.00165 0.21593 100 2S -0.00015 -0.00165 -0.00908 0.11187 0.16629 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00039 102 2S 0.00000 0.00000 -0.00015 -0.00027 -0.00001 103 13 H 1S 0.00000 0.00000 0.00041 -0.00052 -0.00841 104 2S -0.00011 0.00038 0.00361 -0.00817 -0.02546 105 14 H 1S -0.00015 -0.00052 -0.00841 0.00000 0.00041 106 2S -0.00034 -0.00817 -0.02546 0.00038 0.00361 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 108 2S 0.00001 0.00000 0.00002 0.00000 -0.00017 109 2PX 0.00001 0.00000 -0.00001 0.00000 -0.00012 110 2PY 0.00004 0.00000 0.00004 0.00000 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00126 112 3S 0.00040 0.00000 0.00028 -0.00007 -0.00144 113 3PX 0.00008 0.00002 0.00011 -0.00022 -0.00106 114 3PY 0.00045 -0.00004 0.00013 -0.00006 -0.00020 115 3PZ 0.00007 0.00001 0.00001 -0.00067 -0.00526 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00011 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 123 2S -0.00009 0.00000 -0.00017 0.00000 0.00002 124 2PX -0.00061 0.00000 -0.00012 0.00000 -0.00001 125 2PY -0.00045 0.00000 -0.00003 0.00000 0.00004 126 2PZ -0.00017 -0.00001 -0.00126 0.00000 -0.00001 127 3S -0.00323 -0.00007 -0.00144 0.00000 0.00028 128 3PX -0.00284 -0.00022 -0.00106 0.00002 0.00011 129 3PY 0.00072 -0.00006 -0.00020 -0.00004 0.00013 130 3PZ -0.00110 -0.00067 -0.00526 0.00001 0.00001 131 4XX -0.00002 0.00000 -0.00007 0.00000 0.00000 132 4YY 0.00005 0.00000 0.00002 0.00000 0.00000 133 4ZZ -0.00001 0.00000 0.00011 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00001 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 138 2S 0.00000 0.00000 -0.00016 0.00000 -0.00016 139 2PX 0.00000 0.00000 -0.00018 0.00000 -0.00018 140 2PY 0.00000 0.00000 -0.00006 0.00000 -0.00006 141 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 142 3S -0.00001 -0.00011 -0.00101 -0.00011 -0.00101 143 3PX -0.00001 0.00017 0.00046 0.00017 0.00046 144 3PY -0.00001 0.00009 0.00062 0.00009 0.00062 145 3PZ 0.00000 -0.00022 0.00006 -0.00022 0.00006 146 4XX 0.00000 0.00000 0.00004 0.00000 0.00004 147 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 148 4ZZ 0.00000 0.00000 -0.00005 0.00000 -0.00005 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00002 150 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 151 4YZ 0.00000 0.00000 0.00002 0.00000 0.00002 152 18 H 1S -0.00011 0.00000 0.00003 0.00000 0.00000 153 2S -0.00016 0.00001 0.00048 0.00000 -0.00005 154 19 H 1S 0.00000 0.00000 -0.00038 0.00000 -0.00038 155 2S 0.00001 0.00030 -0.00172 0.00030 -0.00172 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 157 2S -0.00003 0.00000 -0.00005 0.00001 0.00048 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 159 2S 0.00000 0.00000 0.00001 0.00000 0.00014 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00058 161 2PY 0.00000 0.00000 0.00001 0.00000 0.00001 162 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00128 163 3S 0.00000 0.00000 0.00016 -0.00014 0.00092 164 3PX -0.00001 0.00000 -0.00013 0.00000 0.00353 165 3PY 0.00000 0.00000 0.00017 0.00000 0.00007 166 3PZ 0.00000 0.00000 -0.00008 -0.00002 0.00671 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 -0.00008 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 174 2S 0.00002 0.00000 0.00014 0.00000 0.00001 175 2PX 0.00000 0.00000 0.00058 0.00000 -0.00001 176 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 177 2PZ 0.00000 0.00000 0.00128 0.00000 -0.00001 178 3S 0.00026 -0.00014 0.00092 0.00000 0.00016 179 3PX 0.00011 0.00000 0.00353 0.00000 -0.00013 180 3PY 0.00012 0.00000 0.00007 0.00000 0.00017 181 3PZ 0.00001 -0.00002 0.00671 0.00000 -0.00008 182 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00001 189 2S 0.00000 0.00001 0.00025 0.00001 0.00025 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.11577 0.16496 103 13 H 1S 0.00000 -0.00015 0.21529 104 2S -0.00017 -0.00034 0.11394 0.15893 105 14 H 1S 0.00000 0.00000 -0.00005 -0.00202 0.21529 106 2S 0.00000 -0.00011 -0.00202 -0.00835 0.11394 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 109 2PX -0.00001 -0.00061 0.00000 0.00005 0.00000 110 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00017 0.00000 0.00007 0.00000 112 3S -0.00055 -0.00323 0.00000 0.00004 0.00000 113 3PX -0.00060 -0.00284 0.00004 0.00100 0.00000 114 3PY 0.00020 0.00072 0.00000 0.00008 0.00000 115 3PZ -0.00018 -0.00110 0.00002 0.00076 0.00000 116 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00040 0.00000 0.00012 0.00000 128 3PX -0.00001 0.00008 0.00000 0.00003 0.00004 129 3PY 0.00003 0.00046 0.00000 0.00003 0.00000 130 3PZ 0.00000 0.00007 0.00000 0.00015 0.00002 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00001 0.00000 0.00002 0.00000 143 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 144 3PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00001 0.00000 0.00008 0.00000 156 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 157 2S -0.00011 -0.00016 0.00000 -0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00002 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00026 0.00000 0.00004 0.00000 164 3PX 0.00000 0.00011 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00001 0.00000 -0.00002 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.15893 107 15 C 1S 0.00000 2.05255 108 2S 0.00000 -0.01389 0.33288 109 2PX 0.00001 0.00000 0.00000 0.34621 110 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00012 -0.03170 0.22132 0.00000 0.00000 113 3PX 0.00003 0.00000 0.00000 0.09507 0.00000 114 3PY 0.00003 0.00000 0.00000 0.00000 0.07005 115 3PZ 0.00015 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 118 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 123 2S 0.00001 -0.00065 0.01384 0.00000 0.04297 124 2PX 0.00005 0.00000 0.00000 0.01640 0.00000 125 2PY 0.00000 -0.00286 0.04297 0.00000 0.10300 126 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00011 0.00956 0.00000 0.03203 128 3PX 0.00100 0.00000 0.00000 0.02166 0.00000 129 3PY 0.00008 -0.00013 0.01037 0.00000 0.01886 130 3PZ 0.00076 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00061 0.00000 -0.00167 132 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 133 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 134 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00000 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00000 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00002 0.00009 -0.00098 -0.00291 -0.00149 143 3PX -0.00002 0.00018 -0.00203 -0.00095 -0.00093 144 3PY -0.00001 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00000 0.00012 -0.00154 -0.00361 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 153 2S -0.00006 0.00024 -0.00382 -0.00027 -0.00595 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00008 0.00000 0.00009 -0.00002 -0.00002 156 20 H 1S 0.00000 -0.00236 0.03823 0.00581 0.03853 157 2S 0.00000 -0.00192 0.02241 0.00247 0.02221 158 21 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 159 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 160 2PX 0.00000 -0.00024 0.01219 0.01590 0.00661 161 2PY 0.00000 -0.00005 0.00218 0.00602 -0.00067 162 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 163 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 164 3PX -0.00001 -0.00226 0.02342 0.01029 0.00756 165 3PY 0.00000 -0.00071 0.00625 0.00942 -0.00375 166 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 167 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 168 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 169 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 170 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 171 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 172 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 175 2PX 0.00000 0.00000 -0.00005 0.00010 -0.00012 176 2PY 0.00000 0.00000 -0.00016 -0.00010 -0.00034 177 2PZ 0.00000 0.00000 0.00000 -0.00008 -0.00014 178 3S 0.00004 -0.00001 -0.00015 -0.00043 0.00138 179 3PX 0.00000 0.00004 -0.00104 0.00070 -0.00111 180 3PY 0.00000 0.00011 -0.00329 -0.00122 -0.00346 181 3PZ -0.00002 -0.00001 0.00015 -0.00130 -0.00196 182 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00005 183 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00005 184 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 185 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00017 0.00068 0.00002 111 112 113 114 115 111 2PZ 0.37882 112 3S 0.00000 0.30238 113 3PX 0.00000 0.00000 0.10751 114 3PY 0.00000 0.00000 0.00000 0.05314 115 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 116 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 123 2S 0.00000 0.00956 0.00000 0.01037 0.00000 124 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 125 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 126 2PZ 0.01211 0.00000 0.00000 0.00000 0.01874 127 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 128 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 129 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 130 3PZ 0.01873 0.00000 0.00000 0.00000 0.02710 131 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 132 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 133 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 134 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00167 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00488 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 153 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 156 20 H 1S 0.05489 0.05282 0.00177 0.01252 0.02525 157 2S 0.03133 0.03771 -0.00039 0.01031 0.02356 158 21 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 159 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 160 2PX 0.01963 0.00361 0.00059 0.00088 0.00354 161 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 162 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 163 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 164 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 165 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 166 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 167 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 168 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 169 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 170 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 171 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 172 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 173 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 174 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 175 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 176 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 177 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 178 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 179 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 180 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 181 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 182 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 183 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 184 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 185 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00027 0.00124 118 4ZZ -0.00019 -0.00008 0.00166 119 4XY 0.00000 0.00000 0.00000 0.00146 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 123 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 125 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 129 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 132 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 133 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 159 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 160 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 161 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 162 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 163 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 164 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 165 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 166 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 167 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 168 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 169 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 170 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 171 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 172 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 176 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 178 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 179 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 180 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 181 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00000 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43071 126 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.09507 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 130 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00004 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00002 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00008 0.00009 -0.00098 -0.00291 -0.00149 143 3PX 0.00006 0.00018 -0.00203 -0.00095 -0.00093 144 3PY -0.00006 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00004 0.00012 -0.00154 -0.00361 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00004 -0.00236 0.03823 0.00581 0.03854 153 2S 0.00022 -0.00192 0.02241 0.00247 0.02222 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00000 0.00009 -0.00002 -0.00002 156 20 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 158 21 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 159 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 160 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 161 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 162 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 163 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 164 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 165 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 166 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 167 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 168 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 169 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 170 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 173 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 174 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 175 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 176 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 177 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00318 178 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 179 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 180 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 181 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 182 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 183 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 184 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 185 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 186 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 187 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 0.00017 0.00068 0.00002 126 127 128 129 130 126 2PZ 0.37881 127 3S 0.00000 0.30239 128 3PX 0.00000 0.00000 0.10751 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09297 0.00000 0.00000 0.00000 0.09327 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00167 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00488 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00116 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.05488 0.05282 0.00177 0.01253 0.02524 153 2S 0.03132 0.03771 -0.00039 0.01031 0.02355 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 158 21 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 159 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 160 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 161 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 162 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 163 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 164 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 165 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 166 3PZ -0.00024 0.00201 -0.00340 -0.00487 -0.00289 167 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 168 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 169 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 170 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 173 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 174 2S 0.00516 -0.01942 -0.00292 0.00272 -0.00507 175 2PX 0.01964 0.00361 0.00059 0.00087 0.00354 176 2PY 0.00301 0.00274 -0.00034 0.00416 0.00004 177 2PZ 0.00253 0.00548 0.00691 0.00110 -0.00136 178 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 179 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 180 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 181 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 182 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 183 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 184 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 185 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 186 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 187 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 153 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 163 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 164 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 165 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 166 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 174 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 175 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 176 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 177 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 178 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 179 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 180 3PY 0.00147 -0.00054 0.00045 0.00071 0.00076 181 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 182 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 183 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 184 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 185 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 186 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 187 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.04980 138 2S 0.00002 -0.01427 0.34291 139 2PX 0.00004 0.00000 0.00000 0.42805 140 2PY 0.00000 0.00000 0.00000 0.00000 0.29269 141 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 142 3S 0.00008 -0.02762 0.21128 0.00000 0.00000 143 3PX 0.00006 0.00000 0.00000 0.08854 0.00000 144 3PY -0.00006 0.00000 0.00000 0.00000 0.04043 145 3PZ 0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00141 0.00019 0.00000 0.00000 147 4YY 0.00000 -0.00104 -0.00728 0.00000 0.00000 148 4ZZ 0.00000 -0.00140 -0.00031 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00377 0.00000 0.00000 0.00000 0.00000 153 2S 0.00064 0.00000 0.00020 0.00020 0.00017 154 19 H 1S 0.00000 -0.00189 0.03298 0.00488 0.00000 155 2S 0.00001 -0.00105 0.01599 0.00409 0.00000 156 20 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 157 2S 0.00022 0.00000 0.00020 0.00020 0.00017 158 21 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 159 2S 0.00000 -0.00001 0.00022 0.00238 0.00832 160 2PX 0.00001 -0.00005 0.00251 -0.00016 0.00934 161 2PY 0.00001 -0.00022 0.01256 0.01062 0.02341 162 2PZ 0.00000 -0.00005 0.00249 0.00213 0.01090 163 3S 0.00000 0.00084 -0.01440 0.00278 0.00788 164 3PX 0.00007 -0.00032 0.00324 -0.00392 0.00862 165 3PY 0.00009 -0.00300 0.02932 0.01402 0.01969 166 3PZ -0.00001 -0.00029 0.00288 0.00123 0.01198 167 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 168 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 169 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 170 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 171 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 172 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 173 22 O 1S -0.00003 0.00000 -0.00001 -0.00012 -0.00042 174 2S 0.00056 -0.00001 0.00022 0.00238 0.00832 175 2PX 0.00116 -0.00005 0.00251 -0.00016 0.00934 176 2PY 0.00016 -0.00022 0.01257 0.01062 0.02342 177 2PZ -0.00003 -0.00005 0.00249 0.00213 0.01090 178 3S 0.00085 0.00084 -0.01440 0.00278 0.00788 179 3PX 0.00070 -0.00032 0.00324 -0.00392 0.00863 180 3PY 0.00045 -0.00300 0.02932 0.01402 0.01970 181 3PZ 0.00002 -0.00029 0.00287 0.00123 0.01197 182 4XX -0.00001 0.00000 -0.00010 -0.00008 -0.00038 183 4YY 0.00001 -0.00016 0.00280 0.00180 0.00191 184 4ZZ -0.00001 0.00000 -0.00007 0.00002 -0.00017 185 4XY -0.00003 -0.00006 0.00071 0.00006 0.00036 186 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 187 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 188 23 H 1S 0.00000 -0.00189 0.03335 0.09741 0.00000 189 2S -0.00001 -0.00112 0.01682 0.05688 0.00000 141 142 143 144 145 141 2PZ 0.42487 142 3S 0.00000 0.23348 143 3PX 0.00000 0.00000 0.06207 144 3PY 0.00000 0.00000 0.00000 0.02606 145 3PZ 0.08272 0.00000 0.00000 0.00000 0.06494 146 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00201 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 153 2S 0.00029 0.00131 0.00123 0.00115 0.00056 154 19 H 1S 0.09572 0.04348 0.00168 0.00000 0.04186 155 2S 0.05685 0.03018 0.00184 0.00000 0.02575 156 20 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 159 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00119 160 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 161 2PY 0.01135 0.01000 0.00431 0.00085 0.00439 162 2PZ -0.00004 0.00124 0.00177 0.00528 0.00255 163 3S 0.00308 -0.06227 -0.00434 -0.00312 -0.00504 164 3PX 0.00160 0.00174 0.00062 0.00455 0.00430 165 3PY 0.01545 0.02199 0.00668 -0.00009 0.00682 166 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 167 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 168 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 169 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 170 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 171 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 172 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 173 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 174 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 175 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 176 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 177 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 178 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 179 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 180 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 181 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00838 182 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 183 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 184 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 185 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 186 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 187 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 188 23 H 1S 0.00385 0.03985 0.04873 0.00000 0.00026 189 2S 0.00314 0.02109 0.04011 0.00000 -0.00020 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00041 0.00343 148 4ZZ -0.00055 -0.00046 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 154 19 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00061 155 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 159 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 160 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 161 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 162 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 163 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 164 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 165 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 166 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 167 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 168 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 169 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 170 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 171 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 173 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 174 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 175 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 176 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 177 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 178 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 179 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 180 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 181 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 182 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 183 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 184 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 185 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 186 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 188 23 H 1S 0.00897 -0.00137 -0.00146 0.00000 0.00049 189 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00000 0.21549 153 2S 0.00000 0.10062 0.12396 154 19 H 1S 0.00000 0.00000 -0.00001 0.22401 155 2S 0.00000 -0.00001 -0.00038 0.12138 0.19878 156 20 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00001 157 2S 0.00000 -0.00015 0.00011 -0.00001 -0.00038 158 21 O 1S -0.00005 0.00000 0.00000 0.00000 0.00005 159 2S 0.00114 0.00000 0.00003 -0.00004 -0.00073 160 2PX 0.00132 0.00000 0.00010 0.00002 0.00089 161 2PY 0.00250 0.00000 0.00014 -0.00003 -0.00090 162 2PZ -0.00012 0.00000 -0.00001 -0.00026 -0.00756 163 3S 0.00088 0.00001 0.00029 -0.00186 -0.00585 164 3PX 0.00085 0.00002 0.00085 0.00062 0.00419 165 3PY 0.00103 0.00003 0.00122 -0.00064 -0.00312 166 3PZ 0.00059 0.00000 -0.00018 -0.00614 -0.03003 167 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00022 168 4YY 0.00018 0.00000 0.00002 0.00000 -0.00014 169 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00078 170 4XY 0.00007 0.00000 0.00000 0.00000 0.00002 171 4XZ 0.00000 0.00000 0.00000 0.00001 0.00003 172 4YZ 0.00000 0.00000 -0.00001 0.00003 -0.00016 173 22 O 1S -0.00005 0.00000 0.00016 0.00000 0.00005 174 2S 0.00114 -0.00006 -0.00225 -0.00004 -0.00073 175 2PX 0.00132 -0.00004 -0.00058 0.00002 0.00089 176 2PY 0.00250 -0.00001 -0.00012 -0.00003 -0.00090 177 2PZ -0.00012 -0.00014 -0.00325 -0.00026 -0.00755 178 3S 0.00088 -0.00308 -0.01369 -0.00186 -0.00585 179 3PX 0.00085 -0.00017 0.00033 0.00062 0.00419 180 3PY 0.00103 -0.00010 -0.00030 -0.00064 -0.00312 181 3PZ 0.00059 -0.00288 -0.01157 -0.00614 -0.03003 182 4XX -0.00006 0.00003 0.00011 -0.00001 -0.00022 183 4YY 0.00018 0.00000 0.00015 0.00000 -0.00014 184 4ZZ 0.00000 0.00008 0.00047 0.00009 0.00078 185 4XY 0.00007 0.00001 0.00002 0.00000 0.00002 186 4XZ 0.00000 0.00006 0.00007 0.00001 0.00003 187 4YZ 0.00000 0.00001 0.00004 0.00003 -0.00016 188 23 H 1S 0.00000 0.00000 0.00000 -0.00073 -0.01284 189 2S 0.00000 0.00000 0.00008 -0.01185 -0.04733 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12396 158 21 O 1S 0.00000 0.00016 2.07557 159 2S -0.00006 -0.00225 -0.04159 0.50359 160 2PX -0.00004 -0.00058 0.00000 0.00000 0.64791 161 2PY -0.00001 -0.00012 0.00000 0.00000 0.00000 162 2PZ -0.00014 -0.00325 0.00000 0.00000 0.00000 163 3S -0.00308 -0.01369 -0.04102 0.45246 0.00000 164 3PX -0.00017 0.00033 0.00000 0.00000 0.20361 165 3PY -0.00010 -0.00030 0.00000 0.00000 0.00000 166 3PZ -0.00288 -0.01157 0.00000 0.00000 0.00000 167 4XX 0.00003 0.00011 -0.00051 -0.00156 0.00000 168 4YY 0.00000 0.00015 -0.00042 -0.00456 0.00000 169 4ZZ 0.00008 0.00047 -0.00047 -0.00299 0.00000 170 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 171 4XZ 0.00006 0.00007 0.00000 0.00000 0.00000 172 4YZ 0.00001 0.00004 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00003 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00010 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00014 0.00000 -0.00001 0.00000 177 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 178 3S 0.00001 0.00029 -0.00002 0.00039 0.00000 179 3PX 0.00002 0.00085 0.00000 0.00000 0.00005 180 3PY 0.00003 0.00122 0.00002 -0.00063 0.00000 181 3PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00000 0.00008 0.00006 -0.00107 -0.00553 161 162 163 164 165 161 2PY 0.66562 162 2PZ 0.00000 0.71650 163 3S 0.00000 0.00000 0.75618 164 3PX 0.00000 0.00000 0.00000 0.26578 165 3PY 0.21182 0.00000 0.00000 0.00000 0.26980 166 3PZ 0.00000 0.23211 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 168 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 169 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00002 0.00000 0.00002 174 2S -0.00001 0.00000 0.00039 0.00000 -0.00063 175 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 176 2PY -0.00009 0.00000 -0.00113 0.00000 -0.00629 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00113 0.00000 0.00661 0.00000 -0.00516 179 3PX 0.00000 0.00000 0.00000 0.00052 0.00000 180 3PY -0.00629 0.00000 -0.00516 0.00000 -0.02518 181 3PZ 0.00000 0.00014 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00006 183 4YY 0.00001 0.00000 -0.00029 0.00000 0.00002 184 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00005 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00220 -0.02177 -0.00267 166 167 168 169 170 166 3PZ 0.30850 167 4XX 0.00000 0.00104 168 4YY 0.00000 -0.00011 0.00294 169 4ZZ 0.00000 0.00001 -0.00008 0.00079 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 177 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00002 -0.00029 0.00002 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 -0.00006 0.00002 -0.00005 0.00000 181 3PZ 0.00163 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 171 172 173 174 175 171 4XZ 0.00045 172 4YZ 0.00000 0.00151 173 22 O 1S 0.00000 0.00000 2.07557 174 2S 0.00000 0.00000 -0.04159 0.50359 175 2PX 0.00000 0.00000 0.00000 0.00000 0.64791 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.04102 0.45246 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.20361 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00051 -0.00156 0.00000 183 4YY 0.00000 0.00000 -0.00042 -0.00456 0.00000 184 4ZZ 0.00000 0.00000 -0.00047 -0.00299 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00001 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00002 0.00001 0.00006 -0.00107 -0.00553 176 177 178 179 180 176 2PY 0.66560 177 2PZ 0.00000 0.71652 178 3S 0.00000 0.00000 0.75618 179 3PX 0.00000 0.00000 0.00000 0.26578 180 3PY 0.21181 0.00000 0.00000 0.00000 0.26979 181 3PZ 0.00000 0.23211 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 184 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00220 -0.02177 -0.00266 181 182 183 184 185 181 3PZ 0.30851 182 4XX 0.00000 0.00104 183 4YY 0.00000 -0.00011 0.00294 184 4ZZ 0.00000 0.00001 -0.00008 0.00079 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00000 0.00151 188 23 H 1S 0.00001 0.00000 0.22350 189 2S 0.00002 0.00001 0.11453 0.16571 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64894 4 2PY 0.74795 5 2PZ 0.68316 6 3S 0.50002 7 3PX 0.32198 8 3PY 0.20203 9 3PZ 0.30108 10 4XX -0.01176 11 4YY 0.00154 12 4ZZ -0.00527 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99191 17 2S 0.70501 18 2PX 0.64894 19 2PY 0.74795 20 2PZ 0.68316 21 3S 0.50002 22 3PX 0.32198 23 3PY 0.20203 24 3PZ 0.30108 25 4XX -0.01176 26 4YY 0.00155 27 4ZZ -0.00527 28 4XY 0.00869 29 4XZ 0.00540 30 4YZ 0.00997 31 3 C 1S 1.99262 32 2S 0.70383 33 2PX 0.61235 34 2PY 0.72535 35 2PZ 0.68245 36 3S 0.59619 37 3PX 0.32769 38 3PY 0.24310 39 3PZ 0.25794 40 4XX -0.01515 41 4YY 0.01157 42 4ZZ -0.00535 43 4XY 0.00395 44 4XZ 0.00662 45 4YZ 0.00631 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58935 52 3PX 0.33284 53 3PY 0.27009 54 3PZ 0.28728 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00969 60 4YZ 0.00762 61 5 C 1S 1.99220 62 2S 0.68132 63 2PX 0.72499 64 2PY 0.68460 65 2PZ 0.69614 66 3S 0.58935 67 3PX 0.33284 68 3PY 0.27010 69 3PZ 0.28727 70 4XX 0.00505 71 4YY -0.00217 72 4ZZ -0.00062 73 4XY 0.00716 74 4XZ 0.00968 75 4YZ 0.00762 76 6 C 1S 1.99262 77 2S 0.70383 78 2PX 0.61235 79 2PY 0.72535 80 2PZ 0.68245 81 3S 0.59619 82 3PX 0.32769 83 3PY 0.24311 84 3PZ 0.25794 85 4XX -0.01515 86 4YY 0.01157 87 4ZZ -0.00535 88 4XY 0.00395 89 4XZ 0.00662 90 4YZ 0.00631 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53307 94 2S 0.35110 95 9 H 1S 0.53359 96 2S 0.34361 97 10 H 1S 0.53199 98 2S 0.32147 99 11 H 1S 0.53199 100 2S 0.32147 101 12 H 1S 0.53359 102 2S 0.34361 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.52953 106 2S 0.32409 107 15 C 1S 1.99219 108 2S 0.70394 109 2PX 0.59316 110 2PY 0.75708 111 2PZ 0.65431 112 3S 0.49498 113 3PX 0.25385 114 3PY 0.17399 115 3PZ 0.26763 116 4XX -0.00742 117 4YY 0.00526 118 4ZZ -0.00003 119 4XY 0.01112 120 4XZ 0.01091 121 4YZ 0.01425 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59316 125 2PY 0.75710 126 2PZ 0.65429 127 3S 0.49498 128 3PX 0.25385 129 3PY 0.17399 130 3PZ 0.26763 131 4XX -0.00742 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99193 138 2S 0.70992 139 2PX 0.73003 140 2PY 0.53059 141 2PZ 0.72491 142 3S 0.45533 143 3PX 0.24767 144 3PY 0.09849 145 3PZ 0.23699 146 4XX 0.01406 147 4YY 0.00335 148 4ZZ 0.01373 149 4XY 0.01768 150 4XZ 0.00681 151 4YZ 0.01937 152 18 H 1S 0.52970 153 2S 0.30213 154 19 H 1S 0.54161 155 2S 0.31784 156 20 H 1S 0.52970 157 2S 0.30213 158 21 O 1S 1.99234 159 2S 0.89932 160 2PX 0.93697 161 2PY 0.96357 162 2PZ 1.01234 163 3S 1.00625 164 3PX 0.52123 165 3PY 0.55961 166 3PZ 0.56877 167 4XX 0.00128 168 4YY -0.00122 169 4ZZ -0.00484 170 4XY 0.00765 171 4XZ 0.00371 172 4YZ 0.00696 173 22 O 1S 1.99234 174 2S 0.89932 175 2PX 0.93697 176 2PY 0.96356 177 2PZ 1.01236 178 3S 1.00625 179 3PX 0.52123 180 3PY 0.55960 181 3PZ 0.56879 182 4XX 0.00128 183 4YY -0.00122 184 4ZZ -0.00484 185 4XY 0.00765 186 4XZ 0.00371 187 4YZ 0.00696 188 23 H 1S 0.54013 189 2S 0.30933 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906236 0.509922 -0.043945 -0.031231 -0.023518 0.553424 2 C 0.509922 4.906237 0.553423 -0.023518 -0.031231 -0.043945 3 C -0.043945 0.553423 4.999267 0.374477 -0.033023 -0.022711 4 C -0.031231 -0.023518 0.374477 5.060585 0.333676 -0.033023 5 C -0.023518 -0.031231 -0.033023 0.333676 5.060585 0.374477 6 C 0.553424 -0.043945 -0.022711 -0.033023 0.374477 4.999267 7 H 0.367131 -0.051751 0.006077 -0.000156 0.005698 -0.052127 8 H -0.051751 0.367131 -0.052127 0.005698 -0.000156 0.006077 9 H 0.007379 -0.042416 0.361914 -0.051199 0.005215 0.000137 10 H 0.001074 0.003493 -0.033816 0.352747 -0.027675 0.001389 11 H 0.003493 0.001074 0.001389 -0.027675 0.352747 -0.033816 12 H -0.042416 0.007379 0.000137 0.005215 -0.051199 0.361914 13 H -0.005863 0.001688 0.002384 -0.034061 0.375819 -0.039434 14 H 0.001688 -0.005863 -0.039434 0.375819 -0.034061 0.002384 15 C -0.016894 -0.022835 -0.006324 -0.014419 -0.004120 0.109652 16 C -0.022835 -0.016895 0.109652 -0.004120 -0.014419 -0.006324 17 C -0.000126 -0.000126 0.000260 -0.000449 -0.000449 0.000260 18 H 0.002106 -0.004215 -0.018627 0.000461 0.000286 0.001041 19 H -0.000062 -0.000062 0.000715 0.000522 0.000522 0.000715 20 H -0.004215 0.002106 0.001041 0.000286 0.000461 -0.018626 21 O 0.000580 0.000474 -0.000388 0.000320 -0.004495 -0.010795 22 O 0.000474 0.000580 -0.010795 -0.004495 0.000320 -0.000388 23 H 0.000006 0.000006 -0.000074 0.000065 0.000065 -0.000074 7 8 9 10 11 12 1 C 0.367131 -0.051751 0.007379 0.001074 0.003493 -0.042416 2 C -0.051751 0.367131 -0.042416 0.003493 0.001074 0.007379 3 C 0.006077 -0.052127 0.361914 -0.033816 0.001389 0.000137 4 C -0.000156 0.005698 -0.051199 0.352747 -0.027675 0.005215 5 C 0.005698 -0.000156 0.005215 -0.027675 0.352747 -0.051199 6 C -0.052127 0.006077 0.000137 0.001389 -0.033816 0.361914 7 H 0.624219 -0.007408 -0.000145 0.000017 -0.000199 -0.007995 8 H -0.007408 0.624219 -0.007995 -0.000199 0.000017 -0.000145 9 H -0.000145 -0.007995 0.613632 -0.000666 -0.000156 -0.000004 10 H 0.000017 -0.000199 -0.000666 0.605948 -0.012412 -0.000156 11 H -0.000199 0.000017 -0.000156 -0.012412 0.605948 -0.000666 12 H -0.007995 -0.000145 -0.000004 -0.000156 -0.000666 0.613632 13 H -0.000050 -0.000001 -0.000112 0.004405 -0.042569 -0.000656 14 H -0.000001 -0.000050 -0.000656 -0.042569 0.004405 -0.000112 15 C 0.000631 -0.000074 0.001100 0.000553 -0.010505 -0.008903 16 C -0.000074 0.000631 -0.008903 -0.010505 0.000553 0.001099 17 C 0.000000 0.000000 -0.000038 -0.000291 -0.000291 -0.000038 18 H 0.000020 0.000298 -0.000380 0.000522 -0.000050 -0.000034 19 H 0.000000 0.000000 0.000009 -0.001803 -0.001803 0.000009 20 H 0.000298 0.000020 -0.000034 -0.000050 0.000522 -0.000380 21 O -0.000014 0.000001 -0.000011 0.000124 0.013076 0.000523 22 O 0.000001 -0.000014 0.000523 0.013076 0.000124 -0.000011 23 H 0.000000 0.000000 0.000000 0.000259 0.000259 0.000000 13 14 15 16 17 18 1 C -0.005863 0.001688 -0.016894 -0.022835 -0.000126 0.002106 2 C 0.001688 -0.005863 -0.022835 -0.016895 -0.000126 -0.004215 3 C 0.002384 -0.039434 -0.006324 0.109652 0.000260 -0.018627 4 C -0.034061 0.375819 -0.014419 -0.004120 -0.000449 0.000461 5 C 0.375819 -0.034061 -0.004120 -0.014419 -0.000449 0.000286 6 C -0.039434 0.002384 0.109652 -0.006324 0.000260 0.001041 7 H -0.000050 -0.000001 0.000631 -0.000074 0.000000 0.000020 8 H -0.000001 -0.000050 -0.000074 0.000631 0.000000 0.000298 9 H -0.000112 -0.000656 0.001100 -0.008903 -0.000038 -0.000380 10 H 0.004405 -0.042569 0.000553 -0.010505 -0.000291 0.000522 11 H -0.042569 0.004405 -0.010505 0.000553 -0.000291 -0.000050 12 H -0.000656 -0.000112 -0.008903 0.001099 -0.000038 -0.000034 13 H 0.602092 -0.012446 0.002064 0.000341 -0.000014 0.000003 14 H -0.012446 0.602092 0.000341 0.002064 -0.000014 -0.000059 15 C 0.002064 0.000341 4.923711 0.490226 -0.058175 -0.042177 16 C 0.000341 0.002064 0.490226 4.923711 -0.058175 0.381033 17 C -0.000014 -0.000014 -0.058175 -0.058175 4.669071 0.005649 18 H 0.000003 -0.000059 -0.042177 0.381033 0.005649 0.540693 19 H 0.000088 0.000088 0.004888 0.004888 0.360618 -0.000394 20 H -0.000059 0.000003 0.381033 -0.042177 0.005649 -0.000192 21 O 0.000029 -0.000028 0.230650 -0.039178 0.255654 0.002500 22 O -0.000028 0.000029 -0.039178 0.230650 0.255654 -0.036732 23 H -0.000002 -0.000002 0.003982 0.003982 0.366229 0.000081 19 20 21 22 23 1 C -0.000062 -0.004215 0.000580 0.000474 0.000006 2 C -0.000062 0.002106 0.000474 0.000580 0.000006 3 C 0.000715 0.001041 -0.000388 -0.010795 -0.000074 4 C 0.000522 0.000286 0.000320 -0.004495 0.000065 5 C 0.000522 0.000461 -0.004495 0.000320 0.000065 6 C 0.000715 -0.018626 -0.010795 -0.000388 -0.000074 7 H 0.000000 0.000298 -0.000014 0.000001 0.000000 8 H 0.000000 0.000020 0.000001 -0.000014 0.000000 9 H 0.000009 -0.000034 -0.000011 0.000523 0.000000 10 H -0.001803 -0.000050 0.000124 0.013076 0.000259 11 H -0.001803 0.000522 0.013076 0.000124 0.000259 12 H 0.000009 -0.000380 0.000523 -0.000011 0.000000 13 H 0.000088 -0.000059 0.000029 -0.000028 -0.000002 14 H 0.000088 0.000003 -0.000028 0.000029 -0.000002 15 C 0.004888 0.381033 0.230650 -0.039178 0.003982 16 C 0.004888 -0.042177 -0.039178 0.230650 0.003982 17 C 0.360618 0.005649 0.255654 0.255654 0.366229 18 H -0.000394 -0.000192 0.002500 -0.036732 0.000081 19 H 0.665553 -0.000394 -0.050949 -0.050949 -0.072751 20 H -0.000394 0.540693 -0.036732 0.002500 0.000081 21 O -0.050949 -0.036732 8.190566 -0.042486 -0.035467 22 O -0.050949 0.002500 -0.042486 8.190566 -0.035467 23 H -0.072751 0.000081 -0.035467 -0.035467 0.618281 Mulliken charges: 1 1 C -0.110655 2 C -0.110655 3 C -0.149471 4 C -0.285525 5 C -0.285525 6 C -0.149471 7 H 0.115827 8 H 0.115827 9 H 0.122806 10 H 0.146537 11 H 0.146537 12 H 0.122806 13 H 0.146380 14 H 0.146380 15 C 0.074774 16 C 0.074774 17 C 0.199142 18 H 0.168166 19 H 0.140551 20 H 0.168166 21 O -0.473954 22 O -0.473954 23 H 0.150540 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005171 2 C 0.005171 3 C -0.026665 4 C 0.007392 5 C 0.007392 6 C -0.026665 15 C 0.242939 16 C 0.242939 17 C 0.490233 21 O -0.473954 22 O -0.473954 Electronic spatial extent (au): = 1462.8819 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0000 Z= -0.2503 Tot= 0.3838 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0626 YY= -66.2574 ZZ= -61.0977 XY= -0.0002 XZ= 2.5925 YZ= -0.0004 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5901 YY= -1.7848 ZZ= 3.3749 XY= -0.0002 XZ= 2.5925 YZ= -0.0004 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3329 YYY= 0.0012 ZZZ= -4.5901 XYY= -4.5855 XXY= -0.0002 XXZ= 2.3253 XZZ= 4.2921 YZZ= -0.0004 YYZ= -4.6299 XYZ= -0.0008 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3480 YYYY= -454.0211 ZZZZ= -400.8193 XXXY= -0.0021 XXXZ= 25.2420 YYYX= -0.0006 YYYZ= -0.0035 ZZZX= -1.4241 ZZZY= -0.0008 XXYY= -270.3076 XXZZ= -230.4595 YYZZ= -137.0181 XXYZ= -0.0033 YYXZ= 2.4741 ZZXY= 0.0005 N-N= 6.505320749632D+02 E-N=-2.466032625431D+03 KE= 4.958567092107D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026208 2 O -19.176831 29.026295 3 O -10.292295 15.888379 4 O -10.238598 15.880970 5 O -10.238016 15.892084 6 O -10.186436 15.890011 7 O -10.186415 15.884503 8 O -10.180373 15.882765 9 O -10.180196 15.889178 10 O -10.169364 15.876087 11 O -10.168862 15.885790 12 O -1.107167 2.296507 13 O -1.013193 2.785727 14 O -0.829085 1.400528 15 O -0.765908 1.721679 16 O -0.733697 1.473754 17 O -0.728679 1.513931 18 O -0.643757 1.895236 19 O -0.614529 1.756497 20 O -0.603990 1.457234 21 O -0.584677 1.408521 22 O -0.532374 1.336071 23 O -0.511539 1.178826 24 O -0.494178 0.996042 25 O -0.470197 1.352489 26 O -0.446710 1.573926 27 O -0.443555 1.142918 28 O -0.441041 1.573856 29 O -0.405580 1.357448 30 O -0.397904 1.212966 31 O -0.389635 1.719092 32 O -0.384148 1.292329 33 O -0.373290 1.575261 34 O -0.355256 2.366376 35 O -0.348820 1.413681 36 O -0.328582 1.797043 37 O -0.319427 1.470108 38 O -0.317080 1.391307 39 O -0.286260 1.368458 40 O -0.198006 1.279525 41 O -0.185597 1.798748 42 V -0.006986 1.479521 43 V 0.010188 1.673711 44 V 0.083783 0.940066 45 V 0.112324 0.984490 46 V 0.119133 1.770305 47 V 0.122464 1.842746 48 V 0.123157 0.999982 49 V 0.135170 1.073462 50 V 0.144242 1.535468 51 V 0.145255 1.041194 52 V 0.163943 1.653337 53 V 0.171441 1.388379 54 V 0.177644 1.367819 55 V 0.192703 1.270994 56 V 0.197770 2.353406 57 V 0.203000 1.219641 58 V 0.228884 1.314356 59 V 0.236115 1.143568 60 V 0.242720 1.412635 61 V 0.249113 1.439826 62 V 0.304388 1.683484 63 V 0.313625 1.479583 64 V 0.326616 1.752354 65 V 0.370131 2.525593 66 V 0.432156 1.929566 67 V 0.473980 1.814291 68 V 0.477970 1.842649 69 V 0.491403 1.616027 70 V 0.508304 2.036349 71 V 0.523165 2.095555 72 V 0.546530 2.522555 73 V 0.547872 1.755727 74 V 0.548666 2.108132 75 V 0.568906 2.371560 76 V 0.579343 2.171883 77 V 0.607431 2.323811 78 V 0.613353 1.950963 79 V 0.618227 1.942484 80 V 0.636308 2.358937 81 V 0.663089 2.521659 82 V 0.678632 2.532018 83 V 0.712834 2.399483 84 V 0.722925 2.418522 85 V 0.740944 2.512572 86 V 0.751902 2.579590 87 V 0.775360 2.174653 88 V 0.795744 2.393635 89 V 0.798767 2.614799 90 V 0.810710 2.533001 91 V 0.828471 2.500804 92 V 0.842100 2.285843 93 V 0.854432 2.766066 94 V 0.864509 2.706380 95 V 0.880603 2.597050 96 V 0.884446 2.489186 97 V 0.885197 2.711070 98 V 0.887091 2.868283 99 V 0.898059 2.577242 100 V 0.913854 2.700571 101 V 0.937164 2.656117 102 V 0.940303 2.589414 103 V 0.951231 2.714860 104 V 1.007935 2.256288 105 V 1.014396 2.336379 106 V 1.022946 2.836179 107 V 1.027243 2.464844 108 V 1.092079 3.076150 109 V 1.099199 2.654380 110 V 1.114141 2.823468 111 V 1.149190 2.615966 112 V 1.151869 2.999838 113 V 1.189459 2.470838 114 V 1.204057 2.548185 115 V 1.251287 2.394799 116 V 1.264383 2.522627 117 V 1.367255 2.620161 118 V 1.370462 2.851690 119 V 1.398322 2.557515 120 V 1.427028 2.655152 121 V 1.432158 2.569738 122 V 1.438589 2.643850 123 V 1.475730 2.604522 124 V 1.492045 2.727364 125 V 1.526433 2.731813 126 V 1.585308 2.729136 127 V 1.639993 2.848138 128 V 1.661091 2.867842 129 V 1.720443 2.847268 130 V 1.723416 2.956517 131 V 1.758439 2.890013 132 V 1.770886 3.084055 133 V 1.794190 3.089673 134 V 1.859999 3.080320 135 V 1.877781 3.223031 136 V 1.885341 3.369074 137 V 1.908421 3.243962 138 V 1.935610 3.247703 139 V 1.958242 3.419402 140 V 1.976520 3.549614 141 V 1.978375 3.699064 142 V 1.981002 3.551980 143 V 2.000532 3.502380 144 V 2.019361 3.666525 145 V 2.041611 3.521274 146 V 2.088900 3.490903 147 V 2.120230 3.689765 148 V 2.140822 3.517947 149 V 2.160179 3.640524 150 V 2.230131 3.506010 151 V 2.254873 3.549659 152 V 2.262019 3.557626 153 V 2.279916 3.600181 154 V 2.291930 3.680413 155 V 2.309602 3.817282 156 V 2.318552 3.601925 157 V 2.371157 3.779128 158 V 2.401506 3.844964 159 V 2.434347 3.875043 160 V 2.448083 3.771374 161 V 2.451442 3.854212 162 V 2.484073 3.927498 163 V 2.522238 3.909227 164 V 2.545375 4.007345 165 V 2.598893 4.362531 166 V 2.627408 4.427880 167 V 2.645175 4.262190 168 V 2.675684 4.223220 169 V 2.692956 4.304449 170 V 2.694419 4.369068 171 V 2.736157 4.291618 172 V 2.765906 4.303007 173 V 2.803893 4.577668 174 V 2.866861 4.485884 175 V 2.879954 4.651919 176 V 2.944564 4.768120 177 V 3.105759 4.916567 178 V 3.131186 4.838698 179 V 4.006209 10.862414 180 V 4.105755 10.794553 181 V 4.127666 10.147715 182 V 4.252027 10.394615 183 V 4.268091 10.250264 184 V 4.362062 10.479326 185 V 4.370181 10.258821 186 V 4.448580 10.340599 187 V 4.489347 10.367748 188 V 4.649647 10.705353 189 V 4.874495 11.552514 Total kinetic energy from orbitals= 4.958567092107D+02 1|1| IMPERIAL COLLEGE-CHWS-284|FTS|RB3LYP|6-31G(d)|C9H12O2|HJK114|30-N ov-2016|0||# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connecti vity integral=grid=ultrafine pop=full gfprint||Title Card Required||0, 1|C,2.1096089238,0.7037739605,-0.7268251388|C,2.1095760155,-0.70398257 04,-0.7267071673|C,1.193998973,-1.3645415412,0.0783024314|C,0.79235198 3,-0.7789848886,1.4167329314|C,0.7923867619,0.7791974198,1.4166019738| C,1.1940638286,1.3645111808,0.0780742519|H,2.6492174766,1.2442032712,- 1.5021663866|H,2.6491592201,-1.2445670584,-1.5019578214|H,1.0885637509 ,-2.4447138134,-0.0121691|H,-0.1810387112,-1.1833962853,1.7153739625|H ,-0.1809868494,1.1837026018,1.7151717036|H,1.0886780872,2.4446730419,- 0.0125793744|H,1.5076421238,1.1420651605,2.1677948552|H,1.5075937789,- 1.1417581289,2.1679843078|C,-0.7585267815,0.6945493217,-0.9710555531|C ,-0.7585560009,-0.6946720223,-0.970938223|C,-2.4040764175,0.0000908449 ,0.4187114139|H,-0.5062742717,-1.344752364,-1.7920711762|H,-2.19976070 78,0.0001776646,1.4982140031|H,-0.5062152046,1.3444812989,-1.792296742 4|O,-1.8159038262,1.1479509014,-0.1858451843|O,-1.8159528918,-1.147896 0239,-0.1856516613|H,-3.4875052608,0.0000990282,0.240457694||Version=E M64W-G09RevD.01|State=1-A|HF=-500.488669|RMSD=5.143e-009|RMSF=2.035e-0 07|Dipole=-0.1144745,-0.0000071,-0.0984577|Quadrupole=-1.1821768,-1.32 69636,2.5091404,-0.0001615,-1.9274572,0.0003654|PG=C01 [X(C9H12O2)]||@ AND ALL THIS SCIENCE I DON'T UNDERSTAND IT'S JUST MY JOB FIVE DAYS A WEEK -- ELTON JOHN, "ROCKET MAN" Job cpu time: 0 days 0 hours 14 minutes 33.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Wed Nov 30 17:23:49 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=4,11=1,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,11=1,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas2.cc.ic.ac.uk\hjk114\3rd Year Labs\ex 2\ex2-EXO-gfprint.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,2.1096089238,0.7037739605,-0.7268251388 C,0,2.1095760155,-0.7039825704,-0.7267071673 C,0,1.193998973,-1.3645415412,0.0783024314 C,0,0.792351983,-0.7789848886,1.4167329314 C,0,0.7923867619,0.7791974198,1.4166019738 C,0,1.1940638286,1.3645111808,0.0780742519 H,0,2.6492174766,1.2442032712,-1.5021663866 H,0,2.6491592201,-1.2445670584,-1.5019578214 H,0,1.0885637509,-2.4447138134,-0.0121691 H,0,-0.1810387112,-1.1833962853,1.7153739625 H,0,-0.1809868494,1.1837026018,1.7151717036 H,0,1.0886780872,2.4446730419,-0.0125793744 H,0,1.5076421238,1.1420651605,2.1677948552 H,0,1.5075937789,-1.1417581289,2.1679843078 C,0,-0.7585267815,0.6945493217,-0.9710555531 C,0,-0.7585560009,-0.6946720223,-0.970938223 C,0,-2.4040764175,0.0000908449,0.4187114139 H,0,-0.5062742717,-1.344752364,-1.7920711762 H,0,-2.1997607078,0.0001776646,1.4982140031 H,0,-0.5062152046,1.3444812989,-1.7922967424 O,0,-1.8159038262,1.1479509014,-0.1858451843 O,0,-1.8159528918,-1.1478960239,-0.1856516613 H,0,-3.4875052608,0.0000990282,0.240457694 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4078 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.3866 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0883 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.3866 calculate D2E/DX2 analytically ! ! R5 R(2,8) 1.0883 calculate D2E/DX2 analytically ! ! R6 R(3,4) 1.5151 calculate D2E/DX2 analytically ! ! R7 R(3,9) 1.0891 calculate D2E/DX2 analytically ! ! R8 R(3,16) 2.3156 calculate D2E/DX2 analytically ! ! R9 R(4,5) 1.5582 calculate D2E/DX2 analytically ! ! R10 R(4,10) 1.0955 calculate D2E/DX2 analytically ! ! R11 R(4,14) 1.0989 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.5151 calculate D2E/DX2 analytically ! ! R13 R(5,11) 1.0955 calculate D2E/DX2 analytically ! ! R14 R(5,13) 1.0989 calculate D2E/DX2 analytically ! ! R15 R(6,12) 1.0891 calculate D2E/DX2 analytically ! ! R16 R(6,15) 2.3156 calculate D2E/DX2 analytically ! ! R17 R(10,19) 2.3502 calculate D2E/DX2 analytically ! ! R18 R(11,19) 2.3502 calculate D2E/DX2 analytically ! ! R19 R(15,16) 1.3892 calculate D2E/DX2 analytically ! ! R20 R(15,20) 1.0773 calculate D2E/DX2 analytically ! ! R21 R(15,21) 1.3929 calculate D2E/DX2 analytically ! ! R22 R(16,18) 1.0773 calculate D2E/DX2 analytically ! ! R23 R(16,22) 1.3929 calculate D2E/DX2 analytically ! ! R24 R(17,19) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(17,21) 1.4244 calculate D2E/DX2 analytically ! ! R26 R(17,22) 1.4244 calculate D2E/DX2 analytically ! ! R27 R(17,23) 1.098 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 118.4539 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 119.7788 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 120.2857 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 118.4539 calculate D2E/DX2 analytically ! ! A5 A(1,2,8) 119.7788 calculate D2E/DX2 analytically ! ! A6 A(3,2,8) 120.2858 calculate D2E/DX2 analytically ! ! A7 A(2,3,4) 120.251 calculate D2E/DX2 analytically ! ! A8 A(2,3,9) 119.2218 calculate D2E/DX2 analytically ! ! A9 A(2,3,16) 98.9691 calculate D2E/DX2 analytically ! ! A10 A(4,3,9) 115.5334 calculate D2E/DX2 analytically ! ! A11 A(4,3,16) 93.7236 calculate D2E/DX2 analytically ! ! A12 A(9,3,16) 99.6509 calculate D2E/DX2 analytically ! ! A13 A(3,4,5) 112.7304 calculate D2E/DX2 analytically ! ! A14 A(3,4,10) 109.492 calculate D2E/DX2 analytically ! ! A15 A(3,4,14) 107.6855 calculate D2E/DX2 analytically ! ! A16 A(5,4,10) 111.6653 calculate D2E/DX2 analytically ! ! A17 A(5,4,14) 109.2791 calculate D2E/DX2 analytically ! ! A18 A(10,4,14) 105.6691 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 112.7304 calculate D2E/DX2 analytically ! ! A20 A(4,5,11) 111.6653 calculate D2E/DX2 analytically ! ! A21 A(4,5,13) 109.2791 calculate D2E/DX2 analytically ! ! A22 A(6,5,11) 109.492 calculate D2E/DX2 analytically ! ! A23 A(6,5,13) 107.6856 calculate D2E/DX2 analytically ! ! A24 A(11,5,13) 105.669 calculate D2E/DX2 analytically ! ! A25 A(1,6,5) 120.251 calculate D2E/DX2 analytically ! ! A26 A(1,6,12) 119.2218 calculate D2E/DX2 analytically ! ! A27 A(1,6,15) 98.969 calculate D2E/DX2 analytically ! ! A28 A(5,6,12) 115.5335 calculate D2E/DX2 analytically ! ! A29 A(5,6,15) 93.7234 calculate D2E/DX2 analytically ! ! A30 A(12,6,15) 99.651 calculate D2E/DX2 analytically ! ! A31 A(4,10,19) 123.5113 calculate D2E/DX2 analytically ! ! A32 A(5,11,19) 123.5113 calculate D2E/DX2 analytically ! ! A33 A(6,15,16) 106.8161 calculate D2E/DX2 analytically ! ! A34 A(6,15,20) 88.4724 calculate D2E/DX2 analytically ! ! A35 A(6,15,21) 106.8895 calculate D2E/DX2 analytically ! ! A36 A(16,15,20) 127.1126 calculate D2E/DX2 analytically ! ! A37 A(16,15,21) 108.9925 calculate D2E/DX2 analytically ! ! A38 A(20,15,21) 114.2776 calculate D2E/DX2 analytically ! ! A39 A(3,16,15) 106.8163 calculate D2E/DX2 analytically ! ! A40 A(3,16,18) 88.4725 calculate D2E/DX2 analytically ! ! A41 A(3,16,22) 106.8894 calculate D2E/DX2 analytically ! ! A42 A(15,16,18) 127.1125 calculate D2E/DX2 analytically ! ! A43 A(15,16,22) 108.9925 calculate D2E/DX2 analytically ! ! A44 A(18,16,22) 114.2776 calculate D2E/DX2 analytically ! ! A45 A(19,17,21) 109.8868 calculate D2E/DX2 analytically ! ! A46 A(19,17,22) 109.8868 calculate D2E/DX2 analytically ! ! A47 A(19,17,23) 110.0605 calculate D2E/DX2 analytically ! ! A48 A(21,17,22) 107.3905 calculate D2E/DX2 analytically ! ! A49 A(21,17,23) 109.7874 calculate D2E/DX2 analytically ! ! A50 A(22,17,23) 109.7874 calculate D2E/DX2 analytically ! ! A51 A(10,19,11) 60.4775 calculate D2E/DX2 analytically ! ! A52 A(10,19,17) 104.5066 calculate D2E/DX2 analytically ! ! A53 A(11,19,17) 104.5065 calculate D2E/DX2 analytically ! ! A54 A(15,21,17) 106.8819 calculate D2E/DX2 analytically ! ! A55 A(16,22,17) 106.8819 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) 0.0001 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) 166.1591 calculate D2E/DX2 analytically ! ! D3 D(7,1,2,3) -166.1591 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,8) 0.0 calculate D2E/DX2 analytically ! ! D5 D(2,1,6,5) 34.4304 calculate D2E/DX2 analytically ! ! D6 D(2,1,6,12) -171.6751 calculate D2E/DX2 analytically ! ! D7 D(2,1,6,15) -65.2502 calculate D2E/DX2 analytically ! ! D8 D(7,1,6,5) -159.4828 calculate D2E/DX2 analytically ! ! D9 D(7,1,6,12) -5.5883 calculate D2E/DX2 analytically ! ! D10 D(7,1,6,15) 100.8365 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,4) -34.4306 calculate D2E/DX2 analytically ! ! D12 D(1,2,3,9) 171.6752 calculate D2E/DX2 analytically ! ! D13 D(1,2,3,16) 65.2503 calculate D2E/DX2 analytically ! ! D14 D(8,2,3,4) 159.4827 calculate D2E/DX2 analytically ! ! D15 D(8,2,3,9) 5.5885 calculate D2E/DX2 analytically ! ! D16 D(8,2,3,16) -100.8364 calculate D2E/DX2 analytically ! ! D17 D(2,3,4,5) 32.6134 calculate D2E/DX2 analytically ! ! D18 D(2,3,4,10) 157.5655 calculate D2E/DX2 analytically ! ! D19 D(2,3,4,14) -88.0047 calculate D2E/DX2 analytically ! ! D20 D(9,3,4,5) -172.575 calculate D2E/DX2 analytically ! ! D21 D(9,3,4,10) -47.6229 calculate D2E/DX2 analytically ! ! D22 D(9,3,4,14) 66.8069 calculate D2E/DX2 analytically ! ! D23 D(16,3,4,5) -70.0261 calculate D2E/DX2 analytically ! ! D24 D(16,3,4,10) 54.926 calculate D2E/DX2 analytically ! ! D25 D(16,3,4,14) 169.3558 calculate D2E/DX2 analytically ! ! D26 D(2,3,16,15) -56.5233 calculate D2E/DX2 analytically ! ! D27 D(2,3,16,18) 71.9758 calculate D2E/DX2 analytically ! ! D28 D(2,3,16,22) -173.0793 calculate D2E/DX2 analytically ! ! D29 D(4,3,16,15) 64.9013 calculate D2E/DX2 analytically ! ! D30 D(4,3,16,18) -166.5997 calculate D2E/DX2 analytically ! ! D31 D(4,3,16,22) -51.6547 calculate D2E/DX2 analytically ! ! D32 D(9,3,16,15) -178.4052 calculate D2E/DX2 analytically ! ! D33 D(9,3,16,18) -49.9061 calculate D2E/DX2 analytically ! ! D34 D(9,3,16,22) 65.0388 calculate D2E/DX2 analytically ! ! D35 D(3,4,5,6) -0.0002 calculate D2E/DX2 analytically ! ! D36 D(3,4,5,11) 123.7582 calculate D2E/DX2 analytically ! ! D37 D(3,4,5,13) -119.7015 calculate D2E/DX2 analytically ! ! D38 D(10,4,5,6) -123.7586 calculate D2E/DX2 analytically ! ! D39 D(10,4,5,11) -0.0002 calculate D2E/DX2 analytically ! ! D40 D(10,4,5,13) 116.5401 calculate D2E/DX2 analytically ! ! D41 D(14,4,5,6) 119.7011 calculate D2E/DX2 analytically ! ! D42 D(14,4,5,11) -116.5405 calculate D2E/DX2 analytically ! ! D43 D(14,4,5,13) -0.0002 calculate D2E/DX2 analytically ! ! D44 D(3,4,10,19) -101.4844 calculate D2E/DX2 analytically ! ! D45 D(5,4,10,19) 24.0825 calculate D2E/DX2 analytically ! ! D46 D(14,4,10,19) 142.7946 calculate D2E/DX2 analytically ! ! D47 D(4,5,6,1) -32.6131 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,12) 172.5751 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,15) 70.0262 calculate D2E/DX2 analytically ! ! D50 D(11,5,6,1) -157.5652 calculate D2E/DX2 analytically ! ! D51 D(11,5,6,12) 47.6229 calculate D2E/DX2 analytically ! ! D52 D(11,5,6,15) -54.926 calculate D2E/DX2 analytically ! ! D53 D(13,5,6,1) 88.005 calculate D2E/DX2 analytically ! ! D54 D(13,5,6,12) -66.8069 calculate D2E/DX2 analytically ! ! D55 D(13,5,6,15) -169.3557 calculate D2E/DX2 analytically ! ! D56 D(4,5,11,19) -24.0821 calculate D2E/DX2 analytically ! ! D57 D(6,5,11,19) 101.4848 calculate D2E/DX2 analytically ! ! D58 D(13,5,11,19) -142.7943 calculate D2E/DX2 analytically ! ! D59 D(1,6,15,16) 56.5232 calculate D2E/DX2 analytically ! ! D60 D(1,6,15,20) -71.9759 calculate D2E/DX2 analytically ! ! D61 D(1,6,15,21) 173.0792 calculate D2E/DX2 analytically ! ! D62 D(5,6,15,16) -64.9014 calculate D2E/DX2 analytically ! ! D63 D(5,6,15,20) 166.5996 calculate D2E/DX2 analytically ! ! D64 D(5,6,15,21) 51.6546 calculate D2E/DX2 analytically ! ! D65 D(12,6,15,16) 178.4051 calculate D2E/DX2 analytically ! ! D66 D(12,6,15,20) 49.906 calculate D2E/DX2 analytically ! ! D67 D(12,6,15,21) -65.0389 calculate D2E/DX2 analytically ! ! D68 D(4,10,19,11) -26.0369 calculate D2E/DX2 analytically ! ! D69 D(4,10,19,17) 72.6378 calculate D2E/DX2 analytically ! ! D70 D(5,11,19,10) 26.0367 calculate D2E/DX2 analytically ! ! D71 D(5,11,19,17) -72.638 calculate D2E/DX2 analytically ! ! D72 D(6,15,16,3) 0.0 calculate D2E/DX2 analytically ! ! D73 D(6,15,16,18) -101.172 calculate D2E/DX2 analytically ! ! D74 D(6,15,16,22) 115.1506 calculate D2E/DX2 analytically ! ! D75 D(20,15,16,3) 101.1719 calculate D2E/DX2 analytically ! ! D76 D(20,15,16,18) -0.0002 calculate D2E/DX2 analytically ! ! D77 D(20,15,16,22) -143.6775 calculate D2E/DX2 analytically ! ! D78 D(21,15,16,3) -115.1506 calculate D2E/DX2 analytically ! ! D79 D(21,15,16,18) 143.6774 calculate D2E/DX2 analytically ! ! D80 D(21,15,16,22) 0.0 calculate D2E/DX2 analytically ! ! D81 D(6,15,21,17) -109.4352 calculate D2E/DX2 analytically ! ! D82 D(16,15,21,17) 5.668 calculate D2E/DX2 analytically ! ! D83 D(20,15,21,17) 154.4578 calculate D2E/DX2 analytically ! ! D84 D(3,16,22,17) 109.4353 calculate D2E/DX2 analytically ! ! D85 D(15,16,22,17) -5.6681 calculate D2E/DX2 analytically ! ! D86 D(18,16,22,17) -154.4577 calculate D2E/DX2 analytically ! ! D87 D(21,17,19,10) -90.3245 calculate D2E/DX2 analytically ! ! D88 D(21,17,19,11) -27.6348 calculate D2E/DX2 analytically ! ! D89 D(22,17,19,10) 27.6347 calculate D2E/DX2 analytically ! ! D90 D(22,17,19,11) 90.3245 calculate D2E/DX2 analytically ! ! D91 D(23,17,19,10) 148.6551 calculate D2E/DX2 analytically ! ! D92 D(23,17,19,11) -148.6551 calculate D2E/DX2 analytically ! ! D93 D(19,17,21,15) 110.4205 calculate D2E/DX2 analytically ! ! D94 D(22,17,21,15) -9.0751 calculate D2E/DX2 analytically ! ! D95 D(23,17,21,15) -128.395 calculate D2E/DX2 analytically ! ! D96 D(19,17,22,16) -110.4204 calculate D2E/DX2 analytically ! ! D97 D(21,17,22,16) 9.0751 calculate D2E/DX2 analytically ! ! D98 D(23,17,22,16) 128.3951 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 2.109609 0.703774 -0.726825 2 6 0 2.109576 -0.703983 -0.726707 3 6 0 1.193999 -1.364542 0.078302 4 6 0 0.792352 -0.778985 1.416733 5 6 0 0.792387 0.779197 1.416602 6 6 0 1.194064 1.364511 0.078074 7 1 0 2.649217 1.244203 -1.502166 8 1 0 2.649159 -1.244567 -1.501958 9 1 0 1.088564 -2.444714 -0.012169 10 1 0 -0.181039 -1.183396 1.715374 11 1 0 -0.180987 1.183703 1.715172 12 1 0 1.088678 2.444673 -0.012579 13 1 0 1.507642 1.142065 2.167795 14 1 0 1.507594 -1.141758 2.167984 15 6 0 -0.758527 0.694549 -0.971056 16 6 0 -0.758556 -0.694672 -0.970938 17 6 0 -2.404076 0.000091 0.418711 18 1 0 -0.506274 -1.344752 -1.792071 19 1 0 -2.199761 0.000178 1.498214 20 1 0 -0.506215 1.344481 -1.792297 21 8 0 -1.815904 1.147951 -0.185845 22 8 0 -1.815953 -1.147896 -0.185652 23 1 0 -3.487505 0.000099 0.240458 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.407757 0.000000 3 C 2.400938 1.386600 0.000000 4 C 2.920373 2.516951 1.515121 0.000000 5 C 2.516951 2.920374 2.558897 1.558182 0.000000 6 C 1.386600 2.400938 2.729053 2.558897 1.515121 7 H 1.088299 2.165174 3.379511 4.007644 3.490453 8 H 2.165174 1.088299 2.151536 3.490452 4.007645 9 H 3.386184 2.140835 1.089070 2.214533 3.538744 10 H 3.843542 3.382383 2.145587 1.095548 2.211017 11 H 3.382382 3.843541 3.326180 2.211017 1.095548 12 H 2.140835 3.386184 3.811754 3.538745 2.214533 13 H 2.988861 3.485450 3.278327 2.183155 1.098888 14 H 3.485446 2.988857 2.124793 1.098888 2.183155 15 C 2.878530 3.200252 3.025453 3.205942 2.848404 16 C 3.200252 2.878527 2.315621 2.848403 3.205942 17 C 4.709647 4.709646 3.863191 3.438046 3.438047 18 H 3.489134 2.896249 2.527769 3.507556 4.061190 19 H 4.900665 4.900663 3.923801 3.092971 3.092972 20 H 2.896251 3.489133 3.705223 4.061189 3.507555 21 O 3.987431 4.373966 3.929619 3.617228 3.083342 22 O 4.373967 3.987427 3.029260 3.083340 3.617228 23 H 5.723503 5.723500 4.879039 4.506415 4.506416 6 7 8 9 10 6 C 0.000000 7 H 2.151536 0.000000 8 H 3.379511 2.488770 0.000000 9 H 3.811754 4.273622 2.468862 0.000000 10 H 3.326182 4.925054 4.285439 2.487412 0.000000 11 H 2.145587 4.285438 4.925053 4.214365 2.367099 12 H 1.089070 2.468862 4.273622 4.889387 4.214367 13 H 2.124793 3.844768 4.523954 4.218158 2.909312 14 H 3.278324 4.523950 3.844765 2.574169 1.748734 15 C 2.315628 3.492409 3.956558 3.766455 3.328224 16 C 3.025456 3.956559 3.492405 2.719142 2.790815 17 C 3.863197 5.547375 5.547372 4.285004 2.832644 18 H 3.705226 4.091927 3.170325 2.630870 3.526186 19 H 3.923805 5.836306 5.836304 4.367131 2.350158 20 H 2.527773 3.170329 4.091926 4.479975 4.335857 21 O 3.029267 4.656101 5.233840 4.623130 3.423828 22 O 3.929624 5.233841 4.656096 3.185600 2.507609 23 H 4.879045 6.499531 6.499527 5.194356 3.809037 11 12 13 14 15 11 H 0.000000 12 H 2.487412 0.000000 13 H 1.748734 2.574170 0.000000 14 H 2.909315 4.218156 2.283823 0.000000 15 C 2.790814 2.719150 3.897201 4.284962 0.000000 16 C 3.328222 3.766459 4.284962 3.897198 1.389221 17 C 2.832644 4.285012 4.434517 4.434517 2.263086 18 H 4.335856 4.479979 5.091234 4.447349 2.212792 19 H 2.350160 4.367137 3.936633 3.936634 2.942210 20 H 3.526182 2.630874 4.447350 5.091232 1.077270 21 O 2.507608 3.185609 4.072544 4.672143 1.392901 22 O 3.423828 4.623136 4.672143 4.072543 2.264865 23 H 3.809037 5.194365 5.474506 5.474506 3.065510 16 17 18 19 20 16 C 0.000000 17 C 2.263086 0.000000 18 H 1.077270 3.209021 0.000000 19 H 2.942210 1.098668 3.937348 0.000000 20 H 2.212793 3.209022 2.689234 3.937348 0.000000 21 O 2.264865 1.424436 3.241707 2.073833 2.081969 22 O 1.392902 1.424436 2.081969 2.073833 3.241707 23 H 3.065510 1.097995 3.850654 1.800066 3.850655 21 22 23 21 O 0.000000 22 O 2.295847 0.000000 23 H 2.072088 2.072088 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109604 -0.703815 -0.726791 2 6 0 -2.109601 0.703941 -0.726673 3 6 0 -1.194038 1.364520 0.078337 4 6 0 -0.792378 0.778972 1.416768 5 6 0 -0.792380 -0.779211 1.416637 6 6 0 -1.194045 -1.364533 0.078109 7 1 0 -2.649201 -1.244256 -1.502132 8 1 0 -2.649196 1.244514 -1.501923 9 1 0 -1.088626 2.444694 -0.012134 10 1 0 0.181004 1.183404 1.715409 11 1 0 0.181002 -1.183695 1.715206 12 1 0 -1.088636 -2.444692 -0.012545 13 1 0 -1.507628 -1.142093 2.167829 14 1 0 -1.507628 1.141730 2.168019 15 6 0 0.758532 -0.694530 -0.971021 16 6 0 0.758531 0.694692 -0.970904 17 6 0 2.404066 -0.000036 0.418746 18 1 0 0.506236 1.344767 -1.792037 19 1 0 2.199751 -0.000127 1.498249 20 1 0 0.506234 -1.344467 -1.792262 21 8 0 1.815918 -1.147909 -0.185811 22 8 0 1.815919 1.147938 -0.185617 23 1 0 3.487495 -0.000021 0.240492 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127349 0.9486815 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.986573672199 -1.330017756058 -1.373435071549 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 -3.986573672199 -1.330017756058 -1.373435071549 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 -3.986573672199 -1.330017756058 -1.373435071549 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.986573672199 -1.330017756058 -1.373435071549 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -3.986568011688 1.330256549893 -1.373212137755 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -3.986568011688 1.330256549893 -1.373212137755 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -3.986568011688 1.330256549893 -1.373212137755 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -3.986568011688 1.330256549893 -1.373212137755 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -2.256404672293 2.578568863119 0.148035538052 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -2.256404672293 2.578568863119 0.148035538052 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -2.256404672293 2.578568863119 0.148035538052 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -2.256404672293 2.578568863119 0.148035538052 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -1.497378346847 1.472043282382 2.677302630949 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 -1.497378346847 1.472043282382 2.677302630949 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 -1.497378346847 1.472043282382 2.677302630949 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -1.497378346847 1.472043282382 2.677302630949 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -1.497381502074 -1.472494546340 2.677055157020 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 18 SP 3 bf 62 - 65 -1.497381502074 -1.472494546340 2.677055157020 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 19 SP 1 bf 66 - 69 -1.497381502074 -1.472494546340 2.677055157020 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -1.497381502074 -1.472494546340 2.677055157020 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -2.256417649001 -2.578593385122 0.147604341418 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 22 SP 3 bf 77 - 80 -2.256417649001 -2.578593385122 0.147604341418 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 23 SP 1 bf 81 - 84 -2.256417649001 -2.578593385122 0.147604341418 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -2.256417649001 -2.578593385122 0.147604341418 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -5.006264355298 -2.351302814673 -2.838617689433 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -5.006264355298 -2.351302814673 -2.838617689433 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -5.006254200736 2.351791517065 -2.838223558309 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 -5.006254200736 2.351791517065 -2.838223558309 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 -2.057204351077 4.619802867051 -0.022930879090 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 -2.057204351077 4.619802867051 -0.022930879090 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 0.342047246398 2.236309152697 3.241652391844 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 0.342047246398 2.236309152697 3.241652391844 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 0.342044290441 -2.236859474615 3.241270177955 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 0.342044290441 -2.236859474615 3.241270177955 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -2.057224086682 -4.619799249707 -0.023706185290 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 -2.057224086682 -4.619799249707 -0.023706185290 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -2.849003680247 -2.158243918976 4.096603975798 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 -2.849003680247 -2.158243918976 4.096603975798 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 -2.849004026264 2.157556634899 4.096961989428 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 -2.849004026264 2.157556634899 4.096961989428 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 1.433416951164 -1.312470547862 -1.834963667858 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 1.433416951164 -1.312470547862 -1.834963667858 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 1.433416951164 -1.312470547862 -1.834963667858 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 1.433416951164 -1.312470547862 -1.834963667858 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 1.433416385026 1.312777330929 -1.834741946123 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 46 SP 3 bf 123 - 126 1.433416385026 1.312777330929 -1.834741946123 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 47 SP 1 bf 127 - 130 1.433416385026 1.312777330929 -1.834741946123 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 1.433416385026 1.312777330929 -1.834741946123 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 4.543027215225 -0.000068140797 0.791315288278 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 50 SP 3 bf 138 - 141 4.543027215225 -0.000068140797 0.791315288278 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 51 SP 1 bf 142 - 145 4.543027215225 -0.000068140797 0.791315288278 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 4.543027215225 -0.000068140797 0.791315288278 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 0.956646905207 2.541241010648 -3.386458346356 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 0.956646905207 2.541241010648 -3.386458346356 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 4.156926482837 -0.000240410294 2.831279541616 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 4.156926482837 -0.000240410294 2.831279541616 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 57 S 3 bf 156 - 156 0.956643268171 -2.540674120791 -3.386884604697 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 58 S 1 bf 157 - 157 0.956643268171 -2.540674120791 -3.386884604697 0.1612777588D+00 0.1000000000D+01 Atom O21 Shell 59 S 6 bf 158 - 158 3.431588190392 -2.169232903461 -0.351131114292 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 O21 Shell 60 SP 3 bf 159 - 162 3.431588190392 -2.169232903461 -0.351131114292 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 O21 Shell 61 SP 1 bf 163 - 166 3.431588190392 -2.169232903461 -0.351131114292 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O21 Shell 62 D 1 bf 167 - 172 3.431588190392 -2.169232903461 -0.351131114292 0.8000000000D+00 0.1000000000D+01 Atom O22 Shell 63 S 6 bf 173 - 173 3.431588723349 2.169289029307 -0.350765408649 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O22 Shell 64 SP 3 bf 174 - 177 3.431588723349 2.169289029307 -0.350765408649 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O22 Shell 65 SP 1 bf 178 - 181 3.431588723349 2.169289029307 -0.350765408649 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 66 D 1 bf 182 - 187 3.431588723349 2.169289029307 -0.350765408649 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 6.590411013435 -0.000040100945 0.454464575462 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 6.590411013435 -0.000040100945 0.454464575462 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5320749632 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\hjk114\3rd Year Labs\ex 2\ex2-EXO-gfprint.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=164757679. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668996 A.U. after 1 cycles NFock= 1 Conv=0.45D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.78D+02 8.74D+00. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 2.96D+01 1.04D+00. 69 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 2.55D-01 9.84D-02. 69 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 6.80D-04 4.83D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.05D-06 1.29D-04. 55 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.07D-10 3.72D-06. 4 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 6.87D-13 1.01D-07. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.64D-16 3.16D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 406 with 72 vectors. Isotropic polarizability for W= 0.000000 101.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12246 0.12316 0.13517 0.14424 0.14525 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17764 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22888 0.23611 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50830 0.52316 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79574 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84210 0.85443 0.86451 0.88060 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93716 Alpha virt. eigenvalues -- 0.94030 0.95123 1.00793 1.01440 1.02295 Alpha virt. eigenvalues -- 1.02724 1.09208 1.09920 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20406 1.25129 1.26438 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39832 1.42703 1.43216 Alpha virt. eigenvalues -- 1.43859 1.47573 1.49204 1.52643 1.58531 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75844 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86000 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93561 1.95824 1.97652 1.97837 Alpha virt. eigenvalues -- 1.98100 2.00053 2.01936 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12023 2.14082 2.16018 2.23013 2.25487 Alpha virt. eigenvalues -- 2.26202 2.27992 2.29193 2.30960 2.31855 Alpha virt. eigenvalues -- 2.37116 2.40151 2.43435 2.44808 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52224 2.54538 2.59889 2.62741 Alpha virt. eigenvalues -- 2.64518 2.67568 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76591 2.80389 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00621 4.10575 4.12767 Alpha virt. eigenvalues -- 4.25203 4.26809 4.36206 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64965 4.87449 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00002 0.00001 -0.00002 -0.00008 -0.00004 2 2S -0.00009 0.00006 -0.00007 -0.00010 -0.00006 3 2PX -0.00001 0.00000 -0.00002 -0.00007 -0.00005 4 2PY 0.00001 0.00001 -0.00005 -0.00001 0.00000 5 2PZ 0.00001 -0.00002 0.00001 0.00003 -0.00001 6 3S 0.00105 -0.00052 0.00019 0.00041 -0.00110 7 3PX 0.00042 -0.00019 0.00024 -0.00002 -0.00054 8 3PY 0.00025 0.00010 0.00025 -0.00017 -0.00035 9 3PZ 0.00028 -0.00007 0.00019 -0.00007 -0.00056 10 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 11 4YY -0.00001 0.00002 -0.00003 -0.00006 -0.00005 12 4ZZ -0.00003 0.00003 -0.00003 -0.00007 -0.00004 13 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 14 4XZ 0.00002 -0.00002 0.00002 0.00000 0.00001 15 4YZ -0.00001 0.00000 0.00000 -0.00006 -0.00006 16 2 C 1S 0.00002 0.00001 -0.00002 -0.00008 0.00004 17 2S 0.00010 0.00006 -0.00007 -0.00010 0.00006 18 2PX 0.00001 0.00000 -0.00002 -0.00007 0.00005 19 2PY 0.00001 -0.00001 0.00005 0.00001 0.00000 20 2PZ -0.00001 -0.00002 0.00001 0.00003 0.00001 21 3S -0.00107 -0.00048 0.00019 0.00041 0.00110 22 3PX -0.00043 -0.00017 0.00024 -0.00002 0.00054 23 3PY 0.00024 -0.00011 -0.00025 0.00017 -0.00035 24 3PZ -0.00028 -0.00006 0.00019 -0.00007 0.00056 25 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 26 4YY 0.00002 0.00002 -0.00003 -0.00006 0.00005 27 4ZZ 0.00003 0.00003 -0.00003 -0.00007 0.00004 28 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 29 4XZ -0.00002 -0.00002 0.00002 0.00000 -0.00001 30 4YZ -0.00001 0.00000 0.00000 0.00006 -0.00006 31 3 C 1S -0.00002 -0.00001 0.00004 -0.00011 0.00022 32 2S -0.00013 -0.00008 0.00012 -0.00041 0.00085 33 2PX 0.00000 0.00002 0.00003 -0.00010 0.00008 34 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 35 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 36 3S 0.00106 0.00045 -0.00079 0.00148 -0.00369 37 3PX 0.00001 -0.00013 -0.00019 0.00090 -0.00076 38 3PY -0.00047 -0.00014 0.00067 -0.00037 0.00137 39 3PZ 0.00001 -0.00024 -0.00037 0.00000 0.00002 40 4XX 0.00002 0.00002 0.00004 -0.00005 0.00013 41 4YY -0.00001 -0.00001 0.00004 -0.00020 0.00028 42 4ZZ -0.00002 0.00000 0.00003 -0.00013 0.00020 43 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 44 4XZ 0.00002 0.00000 -0.00003 -0.00009 0.00012 45 4YZ -0.00001 0.00001 0.00002 0.00003 -0.00005 46 4 C 1S 0.00001 -0.00001 -0.00002 -0.00010 0.00014 47 2S 0.00003 -0.00005 -0.00005 -0.00012 0.00029 48 2PX 0.00003 0.00000 -0.00006 -0.00013 0.00015 49 2PY -0.00001 0.00001 0.00004 0.00004 0.00001 50 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 51 3S -0.00036 0.00034 0.00051 -0.00023 -0.00029 52 3PX 0.00004 0.00011 0.00002 0.00054 -0.00141 53 3PY 0.00018 0.00008 0.00001 -0.00019 0.00084 54 3PZ 0.00045 0.00007 -0.00041 -0.00027 0.00056 55 4XX 0.00003 0.00000 -0.00003 -0.00006 0.00011 56 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 57 4ZZ -0.00001 -0.00003 0.00002 -0.00011 0.00016 58 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 59 4XZ -0.00003 -0.00001 0.00003 0.00001 -0.00003 60 4YZ -0.00001 0.00000 -0.00001 -0.00004 -0.00003 61 5 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 62 2S -0.00003 -0.00005 -0.00005 -0.00012 -0.00029 63 2PX -0.00003 0.00000 -0.00006 -0.00013 -0.00015 64 2PY -0.00001 -0.00001 -0.00004 -0.00004 0.00001 65 2PZ 0.00003 -0.00002 0.00000 0.00020 0.00028 66 3S 0.00037 0.00033 0.00051 -0.00023 0.00029 67 3PX -0.00004 0.00012 0.00002 0.00054 0.00141 68 3PY 0.00018 -0.00008 -0.00001 0.00019 0.00084 69 3PZ -0.00045 0.00009 -0.00041 -0.00027 -0.00056 70 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 71 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 72 4ZZ 0.00000 -0.00003 0.00002 -0.00011 -0.00016 73 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 74 4XZ 0.00003 -0.00001 0.00003 0.00001 0.00003 75 4YZ -0.00001 0.00000 0.00001 0.00004 -0.00003 76 6 C 1S 0.00002 -0.00001 0.00004 -0.00011 -0.00022 77 2S 0.00013 -0.00008 0.00012 -0.00041 -0.00085 78 2PX 0.00000 0.00002 0.00003 -0.00010 -0.00008 79 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 80 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 81 3S -0.00104 0.00049 -0.00079 0.00148 0.00369 82 3PX -0.00001 -0.00013 -0.00019 0.00090 0.00076 83 3PY -0.00046 0.00015 -0.00067 0.00037 0.00137 84 3PZ -0.00002 -0.00024 -0.00037 0.00000 -0.00002 85 4XX -0.00002 0.00002 0.00004 -0.00005 -0.00013 86 4YY 0.00001 -0.00001 0.00004 -0.00020 -0.00028 87 4ZZ 0.00002 0.00000 0.00003 -0.00013 -0.00020 88 4XY 0.00001 -0.00001 -0.00002 0.00007 0.00010 89 4XZ -0.00002 0.00000 -0.00003 -0.00009 -0.00012 90 4YZ -0.00001 -0.00001 -0.00002 -0.00003 -0.00005 91 7 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 92 2S 0.00010 0.00001 0.00012 -0.00020 -0.00028 93 8 H 1S 0.00000 0.00002 0.00003 0.00001 0.00002 94 2S -0.00010 0.00001 0.00012 -0.00020 0.00028 95 9 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 96 2S 0.00010 0.00002 -0.00025 -0.00007 -0.00001 97 10 H 1S 0.00009 0.00004 -0.00007 -0.00004 0.00018 98 2S -0.00031 -0.00032 0.00010 -0.00027 0.00023 99 11 H 1S -0.00009 0.00004 -0.00007 -0.00004 -0.00018 100 2S 0.00030 -0.00033 0.00010 -0.00027 -0.00023 101 12 H 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00005 102 2S -0.00010 0.00003 -0.00025 -0.00007 0.00001 103 13 H 1S 0.00002 -0.00002 0.00001 0.00005 0.00013 104 2S 0.00012 -0.00004 0.00012 0.00049 0.00082 105 14 H 1S -0.00002 -0.00002 0.00001 0.00005 -0.00013 106 2S -0.00012 -0.00003 0.00012 0.00049 -0.00082 107 15 C 1S -0.00001 0.00000 -0.00012 0.70188 0.70252 108 2S -0.00017 0.00026 -0.00038 0.03459 0.03561 109 2PX -0.00021 0.00016 0.00006 0.00041 0.00036 110 2PY 0.00009 -0.00012 -0.00014 -0.00024 0.00010 111 2PZ -0.00016 0.00013 0.00002 0.00060 0.00067 112 3S 0.00175 -0.00143 0.00089 -0.00715 -0.01899 113 3PX 0.00100 -0.00047 0.00066 0.00005 -0.00024 114 3PY -0.00040 0.00050 0.00057 0.00047 -0.00480 115 3PZ 0.00091 -0.00033 0.00080 -0.00080 -0.00264 116 4XX -0.00011 0.00006 0.00007 -0.00639 -0.00611 117 4YY -0.00015 0.00000 -0.00003 -0.00645 -0.00590 118 4ZZ -0.00006 0.00001 -0.00003 -0.00635 -0.00605 119 4XY 0.00004 -0.00007 0.00004 -0.00009 0.00002 120 4XZ -0.00006 0.00004 0.00018 0.00019 0.00019 121 4YZ 0.00003 -0.00007 0.00000 0.00007 0.00001 122 16 C 1S 0.00001 0.00000 -0.00012 0.70218 -0.70222 123 2S 0.00018 0.00025 -0.00038 0.03461 -0.03560 124 2PX 0.00022 0.00015 0.00006 0.00041 -0.00036 125 2PY 0.00009 0.00012 0.00014 0.00024 0.00010 126 2PZ 0.00017 0.00012 0.00002 0.00060 -0.00067 127 3S -0.00181 -0.00136 0.00089 -0.00716 0.01899 128 3PX -0.00102 -0.00043 0.00066 0.00005 0.00024 129 3PY -0.00042 -0.00048 -0.00057 -0.00047 -0.00480 130 3PZ -0.00092 -0.00029 0.00080 -0.00080 0.00264 131 4XX 0.00011 0.00006 0.00007 -0.00639 0.00611 132 4YY 0.00015 -0.00001 -0.00003 -0.00645 0.00589 133 4ZZ 0.00006 0.00001 -0.00003 -0.00635 0.00604 134 4XY 0.00004 0.00007 -0.00004 0.00009 0.00002 135 4XZ 0.00006 0.00004 0.00018 0.00019 -0.00019 136 4YZ 0.00003 0.00007 0.00000 -0.00007 0.00001 137 17 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 138 2S 0.00001 0.00035 0.04864 -0.00058 0.00000 139 2PX 0.00000 -0.00016 -0.00077 -0.00008 0.00000 140 2PY 0.00042 -0.00001 0.00000 0.00000 0.00008 141 2PZ 0.00000 -0.00021 -0.00067 -0.00010 0.00000 142 3S -0.00006 -0.00286 -0.01350 0.00274 0.00000 143 3PX 0.00001 0.00043 0.00060 -0.00136 0.00000 144 3PY -0.00114 0.00002 0.00000 0.00000 0.00025 145 3PZ 0.00001 0.00058 -0.00001 -0.00099 0.00000 146 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 147 4YY 0.00001 0.00039 -0.00875 0.00003 0.00000 148 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 149 4XY -0.00013 0.00000 0.00000 0.00000 0.00002 150 4XZ 0.00000 0.00009 0.00006 0.00025 0.00000 151 4YZ -0.00017 0.00000 0.00000 0.00000 0.00003 152 18 H 1S 0.00004 0.00011 0.00006 -0.00026 0.00012 153 2S -0.00006 0.00011 0.00039 0.00139 -0.00070 154 19 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 155 2S 0.00000 0.00017 0.00276 -0.00005 0.00000 156 20 H 1S -0.00004 0.00011 0.00006 -0.00026 -0.00012 157 2S 0.00006 0.00011 0.00039 0.00139 0.00070 158 21 O 1S -0.68791 0.71570 -0.00007 -0.00003 -0.00014 159 2S -0.01779 0.01860 0.00001 0.00009 -0.00035 160 2PX 0.00018 -0.00019 -0.00009 0.00008 0.00006 161 2PY -0.00063 0.00062 0.00000 0.00004 -0.00003 162 2PZ 0.00008 -0.00006 -0.00006 0.00006 0.00002 163 3S -0.00928 0.00938 0.00114 0.00000 0.00351 164 3PX 0.00032 -0.00018 0.00053 -0.00028 -0.00045 165 3PY -0.00019 0.00034 -0.00039 -0.00072 0.00031 166 3PZ 0.00011 -0.00011 0.00039 -0.00014 0.00008 167 4XX 0.00571 -0.00591 -0.00010 -0.00015 -0.00038 168 4YY 0.00572 -0.00601 -0.00050 -0.00004 -0.00038 169 4ZZ 0.00571 -0.00592 -0.00002 -0.00008 -0.00034 170 4XY 0.00001 0.00000 -0.00016 0.00009 0.00017 171 4XZ 0.00001 -0.00004 -0.00020 -0.00032 -0.00037 172 4YZ 0.00001 -0.00001 -0.00020 0.00004 0.00013 173 22 O 1S 0.71570 0.68792 -0.00007 -0.00003 0.00014 174 2S 0.01851 0.01788 0.00001 0.00009 0.00035 175 2PX -0.00019 -0.00018 -0.00009 0.00008 -0.00006 176 2PY -0.00065 -0.00059 0.00000 -0.00004 -0.00003 177 2PZ -0.00008 -0.00005 -0.00006 0.00006 -0.00002 178 3S 0.00965 0.00901 0.00114 0.00000 -0.00351 179 3PX -0.00033 -0.00017 0.00053 -0.00028 0.00045 180 3PY -0.00021 -0.00033 0.00039 0.00072 0.00031 181 3PZ -0.00011 -0.00010 0.00039 -0.00014 -0.00008 182 4XX -0.00594 -0.00568 -0.00010 -0.00015 0.00038 183 4YY -0.00596 -0.00578 -0.00050 -0.00004 0.00038 184 4ZZ -0.00594 -0.00569 -0.00002 -0.00008 0.00034 185 4XY 0.00001 0.00000 0.00016 -0.00009 0.00017 186 4XZ -0.00001 -0.00004 -0.00020 -0.00032 0.00037 187 4YZ 0.00001 0.00001 0.00020 -0.00004 0.00013 188 23 H 1S 0.00000 0.00018 -0.00018 -0.00007 0.00000 189 2S 0.00000 0.00013 0.00240 0.00015 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 1 1 C 1S -0.01168 0.01218 -0.00068 -0.00056 0.70180 2 2S -0.00008 0.00020 -0.00022 -0.00022 0.03485 3 2PX 0.00000 -0.00013 -0.00005 -0.00008 0.00024 4 2PY -0.00015 0.00007 -0.00007 0.00004 -0.00014 5 2PZ 0.00013 -0.00016 -0.00011 -0.00007 -0.00002 6 3S -0.01071 0.00333 0.00052 0.00042 -0.00762 7 3PX -0.00401 0.00121 0.00034 0.00050 -0.00092 8 3PY -0.00108 -0.00042 -0.00003 -0.00006 0.00067 9 3PZ -0.00430 0.00113 0.00032 0.00030 -0.00042 10 4XX 0.00022 -0.00023 -0.00007 -0.00004 -0.00672 11 4YY 0.00030 -0.00021 -0.00002 -0.00003 -0.00677 12 4ZZ 0.00025 -0.00027 -0.00004 -0.00003 -0.00665 13 4XY -0.00010 0.00013 -0.00007 -0.00002 0.00000 14 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 15 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 16 2 C 1S 0.01185 0.01202 -0.00068 0.00056 0.70179 17 2S 0.00009 0.00020 -0.00022 0.00022 0.03485 18 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 19 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 20 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 21 3S 0.01076 0.00318 0.00052 -0.00042 -0.00762 22 3PX 0.00402 0.00116 0.00034 -0.00050 -0.00092 23 3PY -0.00107 0.00043 0.00003 -0.00006 -0.00067 24 3PZ 0.00431 0.00107 0.00032 -0.00030 -0.00042 25 4XX -0.00022 -0.00023 -0.00007 0.00004 -0.00672 26 4YY -0.00030 -0.00021 -0.00002 0.00003 -0.00677 27 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00665 28 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 29 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 30 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 31 3 C 1S 0.70712 0.69697 -0.01400 0.01383 -0.01235 32 2S 0.03674 0.03489 -0.00083 0.00073 -0.00083 33 2PX 0.00031 0.00011 -0.00001 -0.00004 0.00019 34 2PY -0.00052 -0.00011 0.00005 0.00002 0.00009 35 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 36 3S -0.02217 -0.01238 0.00286 -0.00391 0.00250 37 3PX 0.00038 -0.00020 0.00061 -0.00047 -0.00092 38 3PY 0.00667 0.00108 -0.00038 0.00097 -0.00061 39 3PZ -0.00040 -0.00005 0.00168 -0.00178 -0.00083 40 4XX -0.00601 -0.00636 -0.00001 -0.00007 -0.00002 41 4YY -0.00590 -0.00617 0.00008 -0.00004 0.00009 42 4ZZ -0.00605 -0.00629 -0.00013 0.00010 0.00000 43 4XY 0.00004 0.00010 0.00003 -0.00007 -0.00003 44 4XZ 0.00004 0.00016 -0.00004 0.00002 -0.00008 45 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 46 4 C 1S 0.01378 0.01375 0.70213 -0.70208 0.00037 47 2S 0.00035 0.00050 0.03531 -0.03602 -0.00015 48 2PX 0.00010 0.00004 0.00001 -0.00002 0.00010 49 2PY -0.00007 -0.00001 0.00003 0.00003 0.00004 50 2PZ -0.00022 0.00005 -0.00014 0.00020 0.00004 51 3S 0.00756 0.00272 -0.01069 0.01972 0.00034 52 3PX -0.00214 -0.00037 -0.00002 0.00000 -0.00037 53 3PY -0.00037 0.00041 -0.00120 -0.00268 0.00002 54 3PZ -0.00304 -0.00125 0.00086 -0.00192 -0.00019 55 4XX -0.00016 -0.00023 -0.00628 0.00601 -0.00007 56 4YY -0.00021 -0.00025 -0.00664 0.00597 -0.00005 57 4ZZ -0.00019 -0.00033 -0.00637 0.00611 0.00000 58 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 59 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 60 4YZ 0.00016 0.00016 0.00006 0.00005 -0.00002 61 5 C 1S -0.01359 0.01394 0.70183 0.70238 0.00037 62 2S -0.00034 0.00051 0.03529 0.03603 -0.00015 63 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 64 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 65 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 66 3S -0.00753 0.00283 -0.01068 -0.01973 0.00034 67 3PX 0.00213 -0.00040 -0.00002 0.00000 -0.00037 68 3PY -0.00037 -0.00041 0.00121 -0.00268 -0.00002 69 3PZ 0.00302 -0.00130 0.00086 0.00192 -0.00019 70 4XX 0.00015 -0.00023 -0.00627 -0.00601 -0.00007 71 4YY 0.00021 -0.00025 -0.00663 -0.00597 -0.00005 72 4ZZ 0.00019 -0.00033 -0.00637 -0.00611 0.00000 73 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 74 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 75 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 76 6 C 1S -0.69728 0.70681 -0.01399 -0.01383 -0.01235 77 2S -0.03625 0.03540 -0.00083 -0.00073 -0.00083 78 2PX -0.00031 0.00011 -0.00001 0.00004 0.00019 79 2PY -0.00052 0.00012 -0.00005 0.00002 -0.00009 80 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 81 3S 0.02199 -0.01269 0.00286 0.00391 0.00250 82 3PX -0.00038 -0.00019 0.00061 0.00047 -0.00092 83 3PY 0.00665 -0.00117 0.00038 0.00097 0.00061 84 3PZ 0.00040 -0.00005 0.00168 0.00178 -0.00083 85 4XX 0.00592 -0.00645 -0.00001 0.00007 -0.00002 86 4YY 0.00581 -0.00625 0.00008 0.00004 0.00009 87 4ZZ 0.00596 -0.00638 -0.00013 -0.00010 0.00000 88 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 89 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 90 4YZ 0.00003 -0.00003 -0.00006 -0.00003 0.00001 91 7 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 92 2S -0.00113 0.00031 0.00026 0.00024 0.00135 93 8 H 1S 0.00007 -0.00007 0.00001 -0.00001 -0.00031 94 2S 0.00114 0.00029 0.00026 -0.00024 0.00135 95 9 H 1S -0.00021 -0.00012 -0.00011 0.00006 -0.00004 96 2S 0.00026 0.00169 -0.00002 0.00006 0.00009 97 10 H 1S -0.00013 -0.00009 -0.00010 -0.00031 0.00001 98 2S 0.00060 0.00010 0.00220 -0.00211 0.00030 99 11 H 1S 0.00013 -0.00010 -0.00010 0.00031 0.00001 100 2S -0.00059 0.00011 0.00220 0.00211 0.00030 101 12 H 1S 0.00021 -0.00012 -0.00011 -0.00006 -0.00004 102 2S -0.00024 0.00169 -0.00002 -0.00006 0.00009 103 13 H 1S 0.00039 -0.00013 -0.00009 0.00020 -0.00005 104 2S 0.00013 0.00014 0.00178 0.00177 -0.00014 105 14 H 1S -0.00039 -0.00012 -0.00009 -0.00020 -0.00005 106 2S -0.00013 0.00014 0.00178 -0.00177 -0.00014 107 15 C 1S 0.00019 -0.00010 0.00002 -0.00002 0.00002 108 2S 0.00127 -0.00059 -0.00013 -0.00039 -0.00005 109 2PX -0.00020 0.00010 0.00004 0.00004 0.00014 110 2PY -0.00009 -0.00004 -0.00016 0.00001 0.00000 111 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 112 3S -0.00922 0.00252 0.00024 0.00368 -0.00014 113 3PX 0.00090 -0.00053 0.00033 0.00111 -0.00080 114 3PY -0.00198 -0.00057 0.00049 0.00201 0.00015 115 3PZ -0.00316 0.00069 0.00081 0.00242 -0.00038 116 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 117 4YY 0.00025 -0.00016 -0.00008 -0.00005 -0.00006 118 4ZZ 0.00024 -0.00016 -0.00008 -0.00012 -0.00013 119 4XY 0.00005 0.00007 -0.00002 -0.00005 0.00006 120 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 121 4YZ -0.00004 -0.00006 -0.00006 0.00004 0.00006 122 16 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 123 2S -0.00128 -0.00057 -0.00013 0.00039 -0.00005 124 2PX 0.00020 0.00010 0.00004 -0.00004 0.00014 125 2PY -0.00009 0.00004 0.00016 0.00001 0.00000 126 2PZ -0.00006 -0.00003 -0.00015 0.00021 0.00000 127 3S 0.00926 0.00239 0.00024 -0.00368 -0.00014 128 3PX -0.00091 -0.00051 0.00033 -0.00111 -0.00080 129 3PY -0.00197 0.00060 -0.00049 0.00201 -0.00015 130 3PZ 0.00317 0.00064 0.00081 -0.00242 -0.00038 131 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 132 4YY -0.00025 -0.00016 -0.00008 0.00005 -0.00006 133 4ZZ -0.00024 -0.00016 -0.00008 0.00012 -0.00013 134 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 135 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 136 4YZ -0.00004 0.00006 0.00006 0.00004 -0.00006 137 17 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 138 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 139 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 140 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 141 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 142 3S -0.00001 -0.00087 0.00104 0.00000 0.00030 143 3PX 0.00000 0.00065 -0.00041 0.00000 0.00000 144 3PY -0.00024 0.00000 0.00000 0.00026 0.00000 145 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 146 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 147 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 148 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 149 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 150 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 151 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 152 18 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 153 2S 0.00039 -0.00028 0.00057 -0.00118 -0.00007 154 19 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 155 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 156 20 H 1S 0.00022 -0.00014 0.00008 0.00014 -0.00011 157 2S -0.00040 -0.00028 0.00057 0.00118 -0.00007 158 21 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 159 2S -0.00051 0.00014 0.00028 0.00016 -0.00019 160 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 161 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 162 2PZ -0.00002 -0.00002 0.00002 -0.00001 0.00003 163 3S 0.00307 -0.00077 -0.00149 -0.00146 0.00102 164 3PX -0.00130 0.00049 0.00023 0.00053 -0.00029 165 3PY 0.00048 0.00009 -0.00044 -0.00020 0.00015 166 3PZ -0.00021 0.00026 -0.00015 0.00022 -0.00032 167 4XX -0.00012 0.00002 0.00016 -0.00001 -0.00008 168 4YY -0.00031 0.00010 0.00011 0.00007 -0.00011 169 4ZZ -0.00036 0.00013 0.00019 0.00006 -0.00009 170 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 171 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00005 172 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 173 22 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 174 2S 0.00051 0.00013 0.00028 -0.00016 -0.00019 175 2PX -0.00007 -0.00004 -0.00001 -0.00002 0.00000 176 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 177 2PZ 0.00002 -0.00002 0.00002 0.00001 0.00003 178 3S -0.00309 -0.00072 -0.00149 0.00146 0.00102 179 3PX 0.00131 0.00047 0.00023 -0.00053 -0.00029 180 3PY 0.00048 -0.00010 0.00044 -0.00020 -0.00015 181 3PZ 0.00022 0.00026 -0.00015 -0.00022 -0.00032 182 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 183 4YY 0.00031 0.00010 0.00011 -0.00007 -0.00011 184 4ZZ 0.00036 0.00013 0.00019 -0.00006 -0.00009 185 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 186 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 187 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 188 23 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 189 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 1 1 C 1S -0.70208 -0.00034 0.00002 -0.09538 0.01853 2 2S -0.03558 0.00232 0.00271 0.18221 -0.03475 3 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 4 2PY -0.00029 0.00042 -0.00050 0.02998 -0.00676 5 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 6 3S 0.01698 -0.00444 -0.02195 0.11188 -0.03008 7 3PX 0.00240 -0.00291 -0.00854 0.00063 -0.00202 8 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 9 3PZ 0.00172 -0.00115 -0.00564 -0.00174 -0.00222 10 4XX 0.00646 0.00025 0.00018 -0.00440 0.00179 11 4YY 0.00611 0.00030 0.00009 0.00298 -0.00056 12 4ZZ 0.00637 0.00041 0.00045 -0.00337 0.00066 13 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 14 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 15 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 16 2 C 1S 0.70210 -0.00034 -0.00002 -0.09538 0.01853 17 2S 0.03558 0.00232 -0.00271 0.18221 -0.03475 18 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 19 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00676 20 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00784 21 3S -0.01698 -0.00444 0.02195 0.11188 -0.03008 22 3PX -0.00240 -0.00291 0.00854 0.00063 -0.00202 23 3PY 0.00338 0.00016 -0.01026 -0.00183 0.00013 24 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 25 4XX -0.00646 0.00025 -0.00018 -0.00440 0.00179 26 4YY -0.00611 0.00030 -0.00009 0.00298 -0.00056 27 4ZZ -0.00637 0.00041 -0.00045 -0.00337 0.00066 28 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 29 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 30 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 31 3 C 1S -0.01205 -0.00188 0.00246 -0.09140 0.01322 32 2S -0.00074 0.00225 -0.00017 0.17063 -0.02626 33 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 34 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 35 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 36 3S 0.00446 0.00685 -0.02164 0.13186 -0.01329 37 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 38 3PY -0.00161 -0.00219 0.01160 -0.01392 -0.00134 39 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00606 40 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 41 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 42 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 43 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 44 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 45 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 46 4 C 1S 0.00026 -0.00166 0.00115 -0.08158 0.02466 47 2S -0.00014 0.00239 -0.00198 0.15286 -0.04711 48 2PX 0.00007 0.00108 -0.00111 -0.01409 0.00546 49 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 50 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 51 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 52 3PX -0.00035 0.00161 -0.00280 -0.00242 0.00123 53 3PY -0.00006 -0.00162 0.00171 -0.00282 0.00327 54 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 55 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 56 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 57 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 58 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 59 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 60 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 61 5 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 62 2S 0.00014 0.00239 0.00198 0.15286 -0.04711 63 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 64 2PY -0.00003 -0.00017 -0.00083 0.01819 -0.00662 65 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 66 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 67 3PX 0.00035 0.00161 0.00280 -0.00242 0.00123 68 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 69 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 70 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 71 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 72 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 73 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 74 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 75 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 76 6 C 1S 0.01205 -0.00188 -0.00246 -0.09140 0.01322 77 2S 0.00074 0.00225 0.00017 0.17063 -0.02626 78 2PX -0.00009 0.00154 0.00109 -0.02432 0.01434 79 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 80 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 81 3S -0.00446 0.00685 0.02164 0.13186 -0.01329 82 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 83 3PY -0.00162 0.00219 0.01160 0.01392 0.00134 84 3PZ 0.00061 -0.00034 0.00365 0.00078 -0.00606 85 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 86 4YY 0.00006 -0.00028 -0.00082 0.00086 -0.00027 87 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 88 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 89 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 90 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 91 7 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00829 92 2S -0.00075 -0.00043 -0.00320 0.00181 -0.00145 93 8 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 94 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 95 9 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 96 2S 0.00012 0.00104 -0.00364 0.00635 0.00024 97 10 H 1S 0.00002 0.00209 -0.00254 0.03706 -0.01329 98 2S 0.00032 0.00186 -0.00187 0.00200 -0.00618 99 11 H 1S -0.00002 0.00209 0.00254 0.03706 -0.01329 100 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 101 12 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00454 102 2S -0.00012 0.00104 0.00364 0.00635 0.00024 103 13 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 104 2S 0.00007 0.00121 0.00136 0.00320 -0.00367 105 14 H 1S -0.00005 0.00050 -0.00061 0.03921 -0.01538 106 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 107 15 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 108 2S -0.00003 0.10426 0.08664 0.05206 0.24580 109 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 110 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 111 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00992 112 3S 0.00084 0.03495 -0.00910 0.03217 0.17211 113 3PX 0.00159 -0.00366 -0.01821 -0.00320 -0.00226 114 3PY 0.00011 -0.00021 -0.01692 0.00195 0.01028 115 3PZ 0.00139 -0.00408 -0.02569 -0.00107 -0.00590 116 4XX 0.00012 0.00382 0.00644 -0.00140 -0.00970 117 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 118 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 119 4XY 0.00002 -0.00226 -0.00613 -0.00011 -0.00065 120 4XZ 0.00007 0.01131 0.01155 -0.00055 0.00474 121 4YZ -0.00005 -0.00084 -0.00358 0.00100 0.00231 122 16 C 1S 0.00001 -0.05621 0.04408 -0.02570 -0.12240 123 2S 0.00003 0.10426 -0.08664 0.05206 0.24580 124 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 125 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 126 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 127 3S -0.00084 0.03495 0.00910 0.03217 0.17211 128 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 129 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 130 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 131 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 132 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 133 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 134 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 135 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 136 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 137 17 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 138 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 139 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 140 2PY -0.00002 0.00001 -0.12748 0.00000 0.00000 141 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 142 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 143 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 144 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 145 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 146 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 147 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 148 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 149 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 150 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 151 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 152 18 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06813 153 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 154 19 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 155 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 156 20 H 1S 0.00023 0.01251 0.01447 0.01509 0.06813 157 2S 0.00031 -0.00345 -0.00847 0.00255 0.01258 158 21 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 159 2S 0.00030 0.28412 0.33479 -0.02049 -0.03360 160 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 161 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 162 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 163 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 164 3PX 0.00052 -0.00924 -0.02342 -0.00987 -0.05543 165 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 166 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 167 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 168 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 169 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 170 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 171 4XZ -0.00005 0.00716 0.00771 0.00022 0.00388 172 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01023 173 22 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 174 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03360 175 2PX 0.00002 -0.02242 0.03040 -0.02008 -0.12266 176 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 177 2PZ 0.00003 -0.00834 0.01426 -0.01174 -0.10844 178 3S 0.00183 0.28832 -0.35799 -0.02274 -0.03739 179 3PX -0.00052 -0.00924 0.02342 -0.00987 -0.05543 180 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 181 3PZ -0.00040 -0.00214 0.01098 -0.00502 -0.04936 182 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 183 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 184 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 185 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 186 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 187 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 188 23 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07733 189 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S 0.10571 0.06442 0.01274 -0.00729 -0.08066 2 2S -0.20538 -0.12809 -0.02553 0.01533 0.16377 3 2PX -0.00705 -0.04458 0.01059 0.00457 0.02124 4 2PY -0.05186 0.07807 -0.00820 -0.00964 -0.10415 5 2PZ 0.01100 -0.03742 -0.00022 -0.00673 -0.00048 6 3S -0.15235 -0.07288 -0.02503 0.00481 0.12772 7 3PX 0.00248 0.00657 0.00269 -0.00316 -0.00806 8 3PY -0.00493 0.02229 -0.00068 -0.00246 -0.03748 9 3PZ 0.00882 0.01008 -0.00274 -0.00497 -0.01708 10 4XX 0.00670 -0.00004 0.00186 0.00029 -0.00146 11 4YY -0.00490 0.00641 -0.00089 -0.00069 -0.00748 12 4ZZ 0.00601 -0.00096 0.00004 -0.00053 -0.00056 13 4XY -0.00085 0.00408 0.00012 -0.00034 -0.00109 14 4XZ -0.00472 -0.00713 -0.00107 0.00002 0.00613 15 4YZ -0.00176 0.00269 -0.00031 0.00080 0.00192 16 2 C 1S 0.10571 -0.06442 0.01274 0.00728 0.08066 17 2S -0.20538 0.12809 -0.02553 -0.01533 -0.16377 18 2PX -0.00705 0.04458 0.01059 -0.00457 -0.02124 19 2PY 0.05185 0.07806 0.00820 -0.00964 -0.10415 20 2PZ 0.01101 0.03743 -0.00022 0.00673 0.00047 21 3S -0.15235 0.07288 -0.02503 -0.00481 -0.12772 22 3PX 0.00248 -0.00657 0.00269 0.00316 0.00806 23 3PY 0.00493 0.02229 0.00068 -0.00246 -0.03748 24 3PZ 0.00882 -0.01008 -0.00274 0.00497 0.01708 25 4XX 0.00670 0.00004 0.00186 -0.00029 0.00146 26 4YY -0.00490 -0.00641 -0.00089 0.00069 0.00748 27 4ZZ 0.00601 0.00096 0.00004 0.00053 0.00057 28 4XY 0.00085 0.00408 -0.00012 -0.00034 -0.00109 29 4XZ -0.00472 0.00713 -0.00107 -0.00002 -0.00613 30 4YZ 0.00176 0.00269 0.00031 0.00080 0.00192 31 3 C 1S 0.00744 -0.12444 -0.00049 -0.00481 0.02265 32 2S -0.01414 0.24080 0.00018 0.01120 -0.04691 33 2PX 0.05828 -0.02710 0.01393 -0.00121 0.09492 34 2PY 0.01149 -0.00554 -0.00031 -0.00307 0.00527 35 2PZ 0.09022 0.00672 -0.00711 0.04280 0.13780 36 3S -0.01427 0.21043 0.00800 0.00041 -0.04358 37 3PX 0.00996 -0.00285 -0.00010 -0.00201 0.02376 38 3PY 0.00625 -0.00250 -0.00511 0.00312 -0.00098 39 3PZ 0.01542 -0.00011 -0.00379 0.01692 0.03504 40 4XX -0.00218 -0.00700 -0.00029 -0.00204 -0.00229 41 4YY -0.00061 -0.00073 0.00012 0.00009 -0.00081 42 4ZZ 0.00531 -0.00138 -0.00010 0.00213 0.00682 43 4XY -0.00503 0.00333 -0.00124 -0.00048 -0.00396 44 4XZ -0.00163 0.00666 -0.00099 0.00147 -0.00268 45 4YZ -0.00739 -0.00133 0.00059 -0.00148 -0.00523 46 4 C 1S -0.11130 -0.06711 0.00649 -0.03434 -0.09318 47 2S 0.21419 0.13009 -0.01234 0.06897 0.18930 48 2PX 0.00844 -0.01551 0.00763 -0.00344 0.01269 49 2PY -0.03641 0.06530 0.00104 0.03478 0.09507 50 2PZ 0.01721 -0.04147 -0.00619 0.00551 0.02003 51 3S 0.18757 0.10778 -0.01228 0.06573 0.17955 52 3PX 0.00519 -0.00524 0.00451 0.00040 0.00931 53 3PY -0.00547 0.01783 -0.00001 0.00861 0.03889 54 3PZ 0.00638 -0.00269 -0.00014 0.00279 0.01636 55 4XX -0.00074 0.00076 0.00011 0.00151 0.00477 56 4YY 0.00374 -0.00741 -0.00015 -0.00369 -0.01016 57 4ZZ -0.00473 0.00513 0.00047 0.00010 -0.00048 58 4XY 0.00066 -0.00119 -0.00021 -0.00017 0.00150 59 4XZ -0.00196 0.00236 -0.00017 -0.00002 -0.00246 60 4YZ 0.00143 -0.00346 0.00009 0.00087 0.00254 61 5 C 1S -0.11130 0.06711 0.00649 0.03434 0.09318 62 2S 0.21419 -0.13010 -0.01234 -0.06897 -0.18930 63 2PX 0.00844 0.01551 0.00763 0.00344 -0.01269 64 2PY 0.03641 0.06529 -0.00104 0.03478 0.09507 65 2PZ 0.01722 0.04148 -0.00619 -0.00550 -0.02001 66 3S 0.18757 -0.10778 -0.01228 -0.06573 -0.17955 67 3PX 0.00519 0.00524 0.00451 -0.00040 -0.00931 68 3PY 0.00547 0.01783 0.00001 0.00861 0.03889 69 3PZ 0.00638 0.00270 -0.00014 -0.00279 -0.01636 70 4XX -0.00074 -0.00076 0.00011 -0.00151 -0.00477 71 4YY 0.00374 0.00741 -0.00015 0.00369 0.01016 72 4ZZ -0.00473 -0.00513 0.00047 -0.00010 0.00048 73 4XY -0.00066 -0.00119 0.00021 -0.00017 0.00150 74 4XZ -0.00196 -0.00236 -0.00017 0.00002 0.00246 75 4YZ -0.00143 -0.00345 -0.00009 0.00087 0.00255 76 6 C 1S 0.00745 0.12444 -0.00049 0.00481 -0.02265 77 2S -0.01414 -0.24080 0.00018 -0.01120 0.04691 78 2PX 0.05828 0.02710 0.01393 0.00121 -0.09492 79 2PY -0.01150 -0.00554 0.00032 -0.00306 0.00529 80 2PZ 0.09022 -0.00672 -0.00711 -0.04281 -0.13780 81 3S -0.01427 -0.21043 0.00800 -0.00041 0.04358 82 3PX 0.00996 0.00285 -0.00010 0.00201 -0.02376 83 3PY -0.00626 -0.00250 0.00511 0.00313 -0.00098 84 3PZ 0.01542 0.00011 -0.00379 -0.01692 -0.03504 85 4XX -0.00218 0.00700 -0.00029 0.00204 0.00229 86 4YY -0.00061 0.00073 0.00012 -0.00009 0.00081 87 4ZZ 0.00531 0.00138 -0.00010 -0.00213 -0.00682 88 4XY 0.00503 0.00333 0.00124 -0.00048 -0.00396 89 4XZ -0.00163 -0.00666 -0.00099 -0.00147 0.00267 90 4YZ 0.00739 -0.00133 -0.00059 -0.00148 -0.00523 91 7 H 1S -0.06122 -0.03836 -0.01005 0.00877 0.08123 92 2S -0.01269 -0.00262 -0.00389 0.00345 0.02734 93 8 H 1S -0.06122 0.03836 -0.01005 -0.00877 -0.08123 94 2S -0.01269 0.00262 -0.00389 -0.00345 -0.02734 95 9 H 1S -0.00149 0.07839 0.00120 0.00006 -0.01615 96 2S -0.00162 0.01907 0.00015 -0.00331 -0.00473 97 10 H 1S 0.07058 0.04275 -0.00106 0.03080 0.09334 98 2S 0.01290 0.00874 -0.00180 0.01475 0.03179 99 11 H 1S 0.07058 -0.04275 -0.00106 -0.03080 -0.09334 100 2S 0.01290 -0.00874 -0.00180 -0.01475 -0.03179 101 12 H 1S -0.00149 -0.07839 0.00120 -0.00006 0.01615 102 2S -0.00162 -0.01907 0.00015 0.00331 0.00473 103 13 H 1S 0.06842 -0.04374 -0.00807 -0.03306 -0.08667 104 2S 0.01612 -0.00723 -0.00284 -0.01302 -0.03160 105 14 H 1S 0.06842 0.04374 -0.00807 0.03306 0.08667 106 2S 0.01612 0.00723 -0.00284 0.01302 0.03160 107 15 C 1S -0.00475 0.01207 -0.07241 -0.09541 0.02252 108 2S 0.00928 -0.02323 0.14729 0.19676 -0.04504 109 2PX 0.00303 0.01226 -0.08531 0.03099 -0.01198 110 2PY 0.00304 0.01516 0.15595 -0.13078 0.03064 111 2PZ 0.00726 -0.00043 -0.08058 -0.01989 -0.00233 112 3S 0.00867 -0.02695 0.12860 0.18872 -0.05488 113 3PX 0.00050 0.00446 -0.02247 -0.00190 -0.00808 114 3PY -0.00014 -0.00038 0.02897 -0.02718 0.00269 115 3PZ 0.00263 -0.00237 -0.01968 -0.01220 -0.00727 116 4XX -0.00120 0.00037 -0.01419 -0.00289 0.00136 117 4YY 0.00015 0.00102 0.00714 -0.00733 0.00180 118 4ZZ 0.00048 0.00010 -0.00463 0.00003 -0.00049 119 4XY -0.00019 -0.00103 0.00809 -0.00478 0.00178 120 4XZ -0.00033 0.00044 -0.00622 0.00762 -0.00190 121 4YZ 0.00006 -0.00039 0.00772 0.00423 -0.00014 122 16 C 1S -0.00475 -0.01207 -0.07241 0.09541 -0.02252 123 2S 0.00928 0.02323 0.14729 -0.19676 0.04504 124 2PX 0.00303 -0.01226 -0.08531 -0.03099 0.01198 125 2PY -0.00304 0.01516 -0.15593 -0.13078 0.03064 126 2PZ 0.00726 0.00044 -0.08061 0.01987 0.00233 127 3S 0.00867 0.02695 0.12860 -0.18872 0.05488 128 3PX 0.00050 -0.00446 -0.02247 0.00190 0.00808 129 3PY 0.00014 -0.00038 -0.02897 -0.02718 0.00269 130 3PZ 0.00263 0.00237 -0.01968 0.01219 0.00727 131 4XX -0.00120 -0.00037 -0.01419 0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 -0.00003 0.00049 134 4XY 0.00019 -0.00103 -0.00809 -0.00478 0.00178 135 4XZ -0.00033 -0.00044 -0.00622 -0.00762 0.00190 136 4YZ -0.00006 -0.00039 -0.00772 0.00424 -0.00014 137 17 C 1S 0.00912 0.00000 -0.12225 0.00000 0.00000 138 2S -0.01981 0.00000 0.25808 0.00000 0.00000 139 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 140 2PY 0.00000 -0.01880 -0.00001 0.21589 -0.06315 141 2PZ 0.00607 0.00000 0.06779 0.00002 -0.00001 142 3S -0.01503 0.00000 0.24383 0.00000 0.00000 143 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 144 3PY 0.00000 -0.00189 0.00000 0.05677 -0.01521 145 3PZ -0.00182 0.00000 0.02828 0.00000 0.00000 146 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 147 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 148 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 149 4XY 0.00000 0.00129 0.00000 -0.01287 0.00324 150 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 151 4YZ 0.00000 0.00186 0.00000 -0.01406 0.00448 152 18 H 1S -0.00058 0.01420 0.05359 -0.11567 0.02287 153 2S -0.00151 0.00614 0.01636 -0.04773 0.01077 154 19 H 1S -0.00191 0.00000 0.11587 0.00000 0.00000 155 2S 0.00654 0.00000 0.03555 0.00000 0.00000 156 20 H 1S -0.00058 -0.01420 0.05359 0.11567 -0.02287 157 2S -0.00151 -0.00614 0.01636 0.04773 -0.01077 158 21 O 1S 0.00235 -0.00715 0.07106 0.02548 -0.00812 159 2S -0.00547 0.01658 -0.16574 -0.05880 0.01852 160 2PX -0.01378 0.01549 0.07315 -0.18527 0.05832 161 2PY -0.00428 0.00677 0.08875 -0.05653 0.01760 162 2PZ -0.00318 0.00676 0.06654 -0.16880 0.04087 163 3S -0.00824 0.02076 -0.22093 -0.08044 0.03086 164 3PX -0.00676 0.00714 0.02849 -0.08559 0.02719 165 3PY -0.00336 0.00377 0.04835 -0.02424 0.00915 166 3PZ -0.00013 0.00252 0.02633 -0.07957 0.01599 167 4XX 0.00056 -0.00102 -0.00023 0.00599 -0.00168 168 4YY -0.00086 0.00046 0.01009 -0.00336 0.00115 169 4ZZ 0.00012 -0.00029 0.00085 0.00283 -0.00068 170 4XY -0.00114 0.00052 0.00146 -0.00716 0.00216 171 4XZ -0.00032 -0.00003 0.00109 0.00506 -0.00057 172 4YZ -0.00038 0.00035 0.00258 -0.00696 0.00168 173 22 O 1S 0.00235 0.00715 0.07106 -0.02548 0.00812 174 2S -0.00547 -0.01658 -0.16574 0.05880 -0.01852 175 2PX -0.01378 -0.01549 0.07315 0.18527 -0.05832 176 2PY 0.00429 0.00677 -0.08876 -0.05656 0.01761 177 2PZ -0.00318 -0.00676 0.06652 0.16880 -0.04087 178 3S -0.00824 -0.02076 -0.22093 0.08044 -0.03086 179 3PX -0.00676 -0.00714 0.02849 0.08559 -0.02719 180 3PY 0.00336 0.00377 -0.04835 -0.02426 0.00915 181 3PZ -0.00013 -0.00252 0.02632 0.07956 -0.01599 182 4XX 0.00056 0.00102 -0.00023 -0.00599 0.00168 183 4YY -0.00086 -0.00046 0.01009 0.00336 -0.00116 184 4ZZ 0.00012 0.00029 0.00085 -0.00283 0.00068 185 4XY 0.00114 0.00052 -0.00146 -0.00716 0.00216 186 4XZ -0.00032 0.00003 0.00109 -0.00506 0.00057 187 4YZ 0.00038 0.00035 -0.00257 -0.00696 0.00168 188 23 H 1S -0.00772 0.00000 0.11585 0.00000 0.00000 189 2S 0.00021 0.00000 0.03820 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S 0.05700 -0.00370 -0.00457 -0.00524 -0.06954 2 2S -0.11519 0.00603 0.00981 0.00986 0.14349 3 2PX 0.08938 -0.01931 -0.02768 -0.11644 -0.06288 4 2PY -0.13462 0.00267 -0.00744 -0.12251 -0.08211 5 2PZ 0.08849 -0.03279 -0.05976 -0.14406 -0.07088 6 3S -0.10505 0.01671 0.01738 0.01926 0.15380 7 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 8 3PY -0.02907 -0.00142 -0.00400 -0.03502 -0.03358 9 3PZ 0.02889 -0.00949 -0.01936 -0.04669 -0.03177 10 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 11 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 12 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 13 4XY -0.00455 0.00015 0.00020 -0.00210 0.00786 14 4XZ 0.00046 -0.00055 -0.00003 0.00131 0.00555 15 4YZ -0.00466 0.00026 0.00027 -0.00046 0.00926 16 2 C 1S 0.05700 -0.00370 -0.00457 -0.00524 0.06954 17 2S -0.11519 0.00603 0.00981 0.00986 -0.14349 18 2PX 0.08938 -0.01931 -0.02768 -0.11644 0.06288 19 2PY 0.13461 -0.00267 0.00745 0.12254 -0.08212 20 2PZ 0.08851 -0.03279 -0.05976 -0.14404 0.07087 21 3S -0.10505 0.01671 0.01738 0.01926 -0.15380 22 3PX 0.02722 -0.00291 -0.00619 -0.03702 0.02733 23 3PY 0.02907 0.00142 0.00400 0.03503 -0.03358 24 3PZ 0.02889 -0.00949 -0.01936 -0.04668 0.03177 25 4XX 0.00703 -0.00040 0.00076 -0.00090 0.00320 26 4YY -0.00385 0.00038 0.00101 0.00204 0.00904 27 4ZZ 0.00294 -0.00007 -0.00049 0.00342 -0.00280 28 4XY 0.00455 -0.00015 -0.00020 0.00210 0.00786 29 4XZ 0.00046 -0.00055 -0.00003 0.00131 -0.00555 30 4YZ 0.00465 -0.00026 -0.00027 0.00046 0.00926 31 3 C 1S -0.10221 0.01243 0.00592 -0.00758 -0.06160 32 2S 0.20674 -0.02605 -0.01127 0.01797 0.12766 33 2PX 0.00354 0.00928 0.04266 0.01429 0.07387 34 2PY 0.07521 0.01895 0.04311 0.19958 0.11923 35 2PZ -0.00523 -0.00864 -0.02146 -0.01119 0.01967 36 3S 0.19341 -0.02642 -0.01500 0.01836 0.14637 37 3PX 0.00839 0.00956 0.01712 -0.00485 0.03067 38 3PY 0.03143 0.00912 0.02111 0.08102 0.04704 39 3PZ -0.00418 -0.00263 -0.00587 -0.01018 0.00078 40 4XX -0.00818 0.00096 0.00299 -0.00020 -0.00863 41 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 42 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 43 4XY 0.00041 0.00000 -0.00187 -0.00216 -0.00005 44 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 45 4YZ -0.00150 -0.00002 0.00103 -0.00081 -0.00209 46 4 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 47 2S -0.08562 0.01802 -0.01495 0.01014 -0.09134 48 2PX -0.02395 0.00211 0.09665 0.03187 -0.00773 49 2PY 0.07743 -0.00185 0.02339 0.08418 -0.03413 50 2PZ -0.10177 0.03755 0.00528 0.10169 -0.10453 51 3S -0.08413 0.01120 -0.01993 0.02787 -0.12229 52 3PX -0.00901 -0.00468 0.04047 0.01506 -0.00726 53 3PY 0.02420 -0.00042 0.00272 0.03835 -0.00863 54 3PZ -0.03481 0.01451 -0.00661 0.04013 -0.04434 55 4XX -0.00235 0.00083 0.00328 0.00497 -0.00641 56 4YY -0.00228 0.00097 -0.00078 0.00096 0.00754 57 4ZZ 0.00760 -0.00105 -0.00188 -0.00213 0.00294 58 4XY -0.00165 0.00026 0.00069 -0.00075 -0.00126 59 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 60 4YZ -0.00494 0.00010 -0.00095 -0.00328 -0.00987 61 5 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 62 2S -0.08562 0.01802 -0.01495 0.01014 0.09134 63 2PX -0.02395 0.00211 0.09665 0.03187 0.00773 64 2PY -0.07741 0.00184 -0.02339 -0.08420 -0.03415 65 2PZ -0.10178 0.03755 0.00528 0.10168 0.10452 66 3S -0.08413 0.01120 -0.01993 0.02787 0.12229 67 3PX -0.00901 -0.00468 0.04047 0.01506 0.00726 68 3PY -0.02419 0.00042 -0.00272 -0.03836 -0.00864 69 3PZ -0.03482 0.01451 -0.00661 0.04013 0.04434 70 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 71 4YY -0.00228 0.00097 -0.00078 0.00095 -0.00754 72 4ZZ 0.00760 -0.00105 -0.00188 -0.00213 -0.00294 73 4XY 0.00165 -0.00026 -0.00069 0.00075 -0.00126 74 4XZ 0.00378 -0.00097 0.00063 -0.00323 -0.00274 75 4YZ 0.00494 -0.00010 0.00095 0.00328 -0.00987 76 6 C 1S -0.10221 0.01243 0.00592 -0.00758 0.06160 77 2S 0.20674 -0.02605 -0.01127 0.01797 -0.12766 78 2PX 0.00354 0.00928 0.04266 0.01429 -0.07387 79 2PY -0.07521 -0.01895 -0.04311 -0.19958 0.11923 80 2PZ -0.00525 -0.00864 -0.02147 -0.01122 -0.01965 81 3S 0.19341 -0.02642 -0.01500 0.01836 -0.14637 82 3PX 0.00839 0.00956 0.01712 -0.00485 -0.03067 83 3PY -0.03143 -0.00912 -0.02111 -0.08102 0.04704 84 3PZ -0.00419 -0.00263 -0.00588 -0.01019 -0.00077 85 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 86 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 87 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 88 4XY -0.00041 0.00000 0.00187 0.00216 -0.00005 89 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 90 4YZ 0.00150 0.00002 -0.00103 0.00081 -0.00209 91 7 H 1S -0.06454 0.01841 0.03454 0.12050 0.13843 92 2S -0.02740 0.01176 0.02239 0.08522 0.08665 93 8 H 1S -0.06454 0.01841 0.03454 0.12050 -0.13843 94 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 95 9 H 1S 0.11678 0.00021 0.02012 0.11150 0.13178 96 2S 0.05092 0.00380 0.01350 0.06812 0.08344 97 10 H 1S -0.04246 0.01138 0.05538 0.04763 -0.06776 98 2S -0.01761 0.01371 0.05149 0.02203 -0.03710 99 11 H 1S -0.04246 0.01138 0.05538 0.04762 0.06776 100 2S -0.01761 0.01371 0.05149 0.02203 0.03710 101 12 H 1S 0.11678 0.00021 0.02012 0.11150 -0.13178 102 2S 0.05092 0.00380 0.01350 0.06812 -0.08344 103 13 H 1S -0.04640 0.01879 -0.03239 0.04631 0.08454 104 2S -0.02136 0.00974 -0.01511 0.03115 0.05214 105 14 H 1S -0.04640 0.01879 -0.03239 0.04631 -0.08454 106 2S -0.02136 0.00974 -0.01511 0.03115 -0.05214 107 15 C 1S 0.00937 -0.01088 -0.00407 0.00035 0.00588 108 2S -0.02082 0.02184 0.00862 -0.00108 -0.01078 109 2PX -0.02355 -0.04638 -0.05096 0.03424 0.05261 110 2PY -0.04753 -0.19531 -0.06027 0.03875 0.01149 111 2PZ 0.00370 -0.15381 0.06748 -0.01084 0.03788 112 3S -0.00964 0.04435 0.01528 -0.00642 -0.01816 113 3PX -0.00746 -0.00763 -0.02763 0.01432 0.01824 114 3PY -0.01394 -0.06105 -0.01984 0.01142 0.00885 115 3PZ 0.00436 -0.05091 0.03234 -0.00446 0.00578 116 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 117 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 118 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 119 4XY -0.00091 -0.00669 -0.00442 0.00440 -0.00558 120 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00325 121 4YZ -0.00074 -0.00165 -0.00111 0.00030 -0.00424 122 16 C 1S 0.00937 -0.01088 -0.00407 0.00035 -0.00588 123 2S -0.02082 0.02184 0.00862 -0.00108 0.01078 124 2PX -0.02355 -0.04638 -0.05096 0.03424 -0.05261 125 2PY 0.04753 0.19533 0.06026 -0.03874 0.01149 126 2PZ 0.00371 -0.15378 0.06749 -0.01085 -0.03788 127 3S -0.00964 0.04435 0.01528 -0.00642 0.01816 128 3PX -0.00746 -0.00763 -0.02763 0.01432 -0.01824 129 3PY 0.01394 0.06106 0.01983 -0.01141 0.00886 130 3PZ 0.00437 -0.05090 0.03234 -0.00447 -0.00578 131 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 132 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 133 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00125 134 4XY 0.00091 0.00669 0.00442 -0.00441 -0.00558 135 4XZ -0.00110 -0.00280 0.00206 0.00093 -0.00325 136 4YZ 0.00074 0.00165 0.00110 -0.00030 -0.00424 137 17 C 1S -0.00096 -0.01077 -0.00554 -0.00026 0.00000 138 2S 0.00286 0.02344 0.00837 0.00201 0.00000 139 2PX 0.01562 0.22010 -0.14690 0.00047 0.00000 140 2PY 0.00000 -0.00001 -0.00003 0.00001 0.07077 141 2PZ 0.00729 0.07974 0.30137 -0.09950 0.00000 142 3S 0.00474 0.04137 0.02727 -0.00855 0.00000 143 3PX 0.00845 0.08451 -0.07301 0.00356 0.00000 144 3PY 0.00000 0.00000 -0.00001 0.00000 0.02803 145 3PZ 0.00408 0.01925 0.11941 -0.04302 0.00000 146 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 147 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 148 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 -0.00227 150 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00290 152 18 H 1S 0.00746 0.12877 0.00465 -0.00975 0.03701 153 2S 0.00580 0.07793 0.00772 -0.00248 0.02724 154 19 H 1S 0.00034 0.02997 0.17196 -0.04820 0.00000 155 2S -0.00428 0.02516 0.10560 -0.02522 0.00000 156 20 H 1S 0.00746 0.12877 0.00465 -0.00975 -0.03701 157 2S 0.00580 0.07793 0.00772 -0.00248 -0.02724 158 21 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 159 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 160 2PX 0.00464 0.05353 -0.16048 0.03339 -0.06327 161 2PY -0.02736 -0.19858 -0.08018 0.06940 -0.01146 162 2PZ 0.00852 -0.05736 0.12565 -0.03150 -0.05851 163 3S 0.02410 0.09922 0.00695 -0.04169 0.02137 164 3PX 0.00460 0.03584 -0.08928 0.01747 -0.03352 165 3PY -0.01586 -0.11636 -0.04814 0.04078 -0.00387 166 3PZ 0.00533 -0.02721 0.07606 -0.01900 -0.02975 167 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 168 4YY -0.00199 -0.01676 -0.00726 0.00596 -0.00109 169 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 170 4XY 0.00205 0.01180 -0.00815 0.00047 -0.00280 171 4XZ 0.00007 0.00512 -0.00055 -0.00080 -0.00002 172 4YZ 0.00149 0.00143 0.01119 -0.00382 -0.00235 173 22 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 174 2S 0.01893 0.06741 0.00642 -0.02494 -0.00879 175 2PX 0.00464 0.05353 -0.16048 0.03339 0.06327 176 2PY 0.02735 0.19859 0.08016 -0.06939 -0.01147 177 2PZ 0.00852 -0.05733 0.12566 -0.03151 0.05851 178 3S 0.02410 0.09922 0.00695 -0.04169 -0.02137 179 3PX 0.00460 0.03584 -0.08928 0.01747 0.03352 180 3PY 0.01586 0.11636 0.04812 -0.04077 -0.00387 181 3PZ 0.00534 -0.02719 0.07607 -0.01901 0.02975 182 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 183 4YY -0.00198 -0.01676 -0.00726 0.00596 0.00109 184 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 185 4XY -0.00205 -0.01180 0.00815 -0.00047 -0.00280 186 4XZ 0.00007 0.00511 -0.00055 -0.00080 0.00002 187 4YZ -0.00149 -0.00143 -0.01119 0.00382 -0.00235 188 23 H 1S 0.00690 0.10834 -0.09034 0.00870 0.00000 189 2S 0.00243 0.06408 -0.05002 0.00280 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.01120 0.00122 -0.00258 0.00504 -0.00674 2 2S 0.02096 -0.00223 0.00790 -0.01054 0.01764 3 2PX -0.01417 0.00930 -0.03106 -0.15431 0.12098 4 2PY -0.01098 0.05723 0.03609 0.19643 0.01490 5 2PZ -0.03528 -0.05811 -0.01678 -0.07676 0.16406 6 3S 0.03569 -0.00521 -0.00334 -0.01433 0.02552 7 3PX 0.00017 0.00838 -0.01601 -0.06152 0.01629 8 3PY 0.00468 0.01738 0.01231 0.07222 0.03692 9 3PZ -0.01226 -0.02818 -0.00606 -0.02507 0.03668 10 4XX 0.00010 0.00217 -0.00089 -0.00437 0.00156 11 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 12 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 13 4XY 0.00198 0.00173 0.00027 0.00082 -0.00671 14 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 15 4YZ 0.00367 0.00012 0.00047 0.00073 -0.01097 16 2 C 1S 0.01120 0.00122 -0.00258 0.00504 0.00674 17 2S -0.02096 -0.00223 0.00790 -0.01054 -0.01764 18 2PX 0.01417 0.00930 -0.03106 -0.15431 -0.12098 19 2PY -0.01099 -0.05722 -0.03609 -0.19641 0.01493 20 2PZ 0.03528 -0.05812 -0.01679 -0.07679 -0.16406 21 3S -0.03569 -0.00521 -0.00334 -0.01433 -0.02552 22 3PX -0.00017 0.00838 -0.01601 -0.06152 -0.01629 23 3PY 0.00467 -0.01737 -0.01231 -0.07222 0.03692 24 3PZ 0.01226 -0.02819 -0.00606 -0.02508 -0.03667 25 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00156 26 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 27 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 28 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 29 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 30 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 31 3 C 1S -0.02373 -0.00061 -0.00396 -0.00060 0.02736 32 2S 0.04993 -0.00096 0.00776 0.00099 -0.06302 33 2PX -0.01210 0.10546 0.03940 0.12511 0.10100 34 2PY 0.02919 -0.01632 0.00077 0.03522 0.25433 35 2PZ 0.02249 0.00101 0.04134 0.23682 -0.03104 36 3S 0.05782 0.01173 0.01692 0.01216 -0.09501 37 3PX -0.00315 0.04405 0.01134 0.03648 0.04767 38 3PY 0.00935 -0.01975 -0.00856 0.00711 0.07515 39 3PZ 0.02116 -0.00502 0.01307 0.08431 -0.01004 40 4XX -0.00268 -0.00005 0.00022 -0.00440 -0.00056 41 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 42 4ZZ -0.00431 -0.00111 -0.00159 0.00350 -0.00279 43 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 44 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 45 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 46 4 C 1S 0.01410 -0.00516 -0.00043 0.00003 0.00885 47 2S -0.03009 0.01142 0.00050 0.00168 -0.01673 48 2PX -0.01800 0.22939 0.07293 -0.12354 0.12745 49 2PY -0.01119 -0.01033 0.01420 0.14019 0.01425 50 2PZ -0.04251 -0.10555 -0.07153 -0.15615 0.07839 51 3S -0.04060 0.01707 0.00840 0.00239 -0.05379 52 3PX 0.00226 0.10343 0.03542 -0.05636 0.06031 53 3PY -0.00919 0.00081 0.01009 0.06579 0.03114 54 3PZ -0.02054 -0.04033 -0.02590 -0.07064 0.02681 55 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 56 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 57 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 58 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 59 4XZ 0.00133 0.00828 0.00354 -0.00200 -0.00167 60 4YZ -0.00352 -0.00012 -0.00057 -0.00273 0.00142 61 5 C 1S -0.01410 -0.00516 -0.00043 0.00003 -0.00885 62 2S 0.03009 0.01141 0.00050 0.00168 0.01673 63 2PX 0.01800 0.22939 0.07293 -0.12354 -0.12745 64 2PY -0.01119 0.01035 -0.01419 -0.14017 0.01426 65 2PZ 0.04250 -0.10555 -0.07153 -0.15617 -0.07839 66 3S 0.04060 0.01707 0.00840 0.00239 0.05379 67 3PX -0.00226 0.10343 0.03542 -0.05636 -0.06031 68 3PY -0.00919 -0.00080 -0.01008 -0.06578 0.03114 69 3PZ 0.02054 -0.04033 -0.02590 -0.07065 -0.02680 70 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 71 4YY -0.00212 0.00102 -0.00008 -0.00205 -0.00505 72 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00687 73 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 74 4XZ -0.00133 0.00828 0.00354 -0.00200 0.00167 75 4YZ -0.00352 0.00012 0.00057 0.00272 0.00142 76 6 C 1S 0.02373 -0.00061 -0.00396 -0.00060 -0.02736 77 2S -0.04993 -0.00096 0.00776 0.00099 0.06302 78 2PX 0.01210 0.10546 0.03940 0.12511 -0.10099 79 2PY 0.02919 0.01632 -0.00078 -0.03526 0.25433 80 2PZ -0.02249 0.00102 0.04134 0.23682 0.03109 81 3S -0.05782 0.01173 0.01692 0.01216 0.09501 82 3PX 0.00315 0.04405 0.01134 0.03648 -0.04767 83 3PY 0.00935 0.01975 0.00855 -0.00712 0.07515 84 3PZ -0.02116 -0.00502 0.01307 0.08431 0.01005 85 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 86 4YY -0.00332 0.00143 0.00081 0.00260 -0.01169 87 4ZZ 0.00431 -0.00111 -0.00159 0.00350 0.00279 88 4XY 0.00059 0.00365 0.00091 0.00120 -0.00320 89 4XZ -0.00067 0.00388 0.00245 -0.00455 -0.00024 90 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 91 7 H 1S 0.03401 0.00334 0.00880 0.01608 -0.11250 92 2S 0.02851 0.00146 0.00538 0.01591 -0.10979 93 8 H 1S -0.03401 0.00334 0.00880 0.01608 0.11250 94 2S -0.02851 0.00146 0.00538 0.01591 0.10979 95 9 H 1S 0.03818 -0.00207 0.00458 0.02004 0.13987 96 2S 0.02416 0.00271 0.00596 0.01915 0.14216 97 10 H 1S -0.03170 0.09954 0.02825 -0.06370 0.08254 98 2S -0.02294 0.06367 0.00949 -0.04918 0.07452 99 11 H 1S 0.03170 0.09953 0.02824 -0.06370 -0.08254 100 2S 0.02294 0.06367 0.00949 -0.04918 -0.07452 101 12 H 1S -0.03818 -0.00207 0.00458 0.02004 -0.13987 102 2S -0.02416 0.00271 0.00596 0.01915 -0.14216 103 13 H 1S 0.02578 -0.12773 -0.05405 0.01223 0.02406 104 2S 0.01204 -0.10025 -0.04366 0.00924 0.01494 105 14 H 1S -0.02578 -0.12773 -0.05405 0.01223 -0.02406 106 2S -0.01204 -0.10025 -0.04366 0.00924 -0.01494 107 15 C 1S -0.04334 0.00848 -0.00357 -0.00432 -0.00571 108 2S 0.08673 -0.02294 0.01067 0.00807 0.00806 109 2PX -0.13357 -0.09450 0.13120 -0.02800 0.01138 110 2PY -0.07240 0.02205 -0.00091 0.01148 -0.00264 111 2PZ -0.20087 -0.03049 0.16379 -0.02587 -0.02553 112 3S 0.13910 -0.00856 0.01254 0.01683 0.04802 113 3PX -0.03563 -0.03420 0.04727 -0.00534 0.00372 114 3PY -0.00527 0.00616 -0.00329 -0.00033 0.01918 115 3PZ -0.05306 -0.00399 0.06048 -0.00698 -0.01614 116 4XX -0.01110 0.00027 0.00659 -0.00395 0.00160 117 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 118 4ZZ 0.00420 0.00122 -0.00650 0.00176 -0.00185 119 4XY 0.01347 0.00069 -0.00450 0.00022 -0.00121 120 4XZ -0.00595 -0.00537 0.00273 -0.00138 -0.00025 121 4YZ 0.02186 0.00207 -0.00452 0.00011 0.00320 122 16 C 1S 0.04334 0.00848 -0.00357 -0.00432 0.00571 123 2S -0.08673 -0.02293 0.01067 0.00807 -0.00806 124 2PX 0.13357 -0.09450 0.13120 -0.02801 -0.01138 125 2PY -0.07244 -0.02204 0.00088 -0.01147 -0.00265 126 2PZ 0.20086 -0.03050 0.16379 -0.02588 0.02553 127 3S -0.13910 -0.00856 0.01254 0.01683 -0.04802 128 3PX 0.03563 -0.03420 0.04727 -0.00534 -0.00372 129 3PY -0.00528 -0.00616 0.00328 0.00033 0.01917 130 3PZ 0.05306 -0.00399 0.06048 -0.00698 0.01614 131 4XX 0.01110 0.00027 0.00659 -0.00395 -0.00160 132 4YY -0.00183 0.00045 -0.00230 0.00138 0.00149 133 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 134 4XY 0.01347 -0.00069 0.00450 -0.00022 -0.00121 135 4XZ 0.00595 -0.00537 0.00274 -0.00138 0.00025 136 4YZ 0.02186 -0.00207 0.00452 -0.00011 0.00320 137 17 C 1S 0.00000 0.01987 -0.02040 -0.00014 0.00000 138 2S 0.00000 -0.04360 0.04007 0.00102 0.00000 139 2PX 0.00000 0.00869 0.29899 -0.03915 0.00000 140 2PY -0.19149 0.00002 0.00000 0.00000 -0.00993 141 2PZ -0.00002 -0.19838 0.06924 0.01122 0.00000 142 3S 0.00000 -0.05147 0.05404 0.00650 0.00000 143 3PX 0.00000 -0.00573 0.10989 -0.00775 0.00000 144 3PY -0.08924 0.00001 0.00000 0.00000 0.00178 145 3PZ -0.00001 -0.08660 0.01956 0.01502 0.00000 146 4XX 0.00000 -0.00316 0.02270 -0.00375 0.00000 147 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 148 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 149 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 150 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 151 4YZ 0.00850 0.00000 0.00000 0.00000 0.00433 152 18 H 1S -0.18978 0.01004 -0.08954 0.01443 -0.01387 153 2S -0.14822 0.01116 -0.07278 0.00771 -0.00332 154 19 H 1S 0.00000 -0.12925 0.03821 0.00245 0.00000 155 2S 0.00000 -0.07776 0.03193 -0.01652 0.00000 156 20 H 1S 0.18978 0.01004 -0.08954 0.01443 0.01387 157 2S 0.14822 0.01116 -0.07278 0.00771 0.00332 158 21 O 1S 0.01680 -0.01267 0.02331 -0.00419 -0.00047 159 2S -0.03654 0.02832 -0.05156 0.00895 0.00286 160 2PX 0.20194 0.12881 -0.15373 0.02089 0.04590 161 2PY 0.02964 -0.00069 -0.02246 -0.01390 0.02105 162 2PZ 0.12175 0.05267 -0.18960 0.04673 -0.05294 163 3S -0.08737 0.04951 -0.10461 0.01780 -0.00121 164 3PX 0.10901 0.07175 -0.08059 0.01162 0.03278 165 3PY 0.00785 -0.00892 -0.00850 -0.00961 0.01279 166 3PZ 0.05879 0.02980 -0.10566 0.03040 -0.03687 167 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 168 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 169 4ZZ 0.00539 -0.00301 0.00038 -0.00005 0.00122 170 4XY 0.00858 0.00645 -0.00493 0.00083 0.00145 171 4XZ 0.00200 -0.00354 0.00343 -0.00036 0.00144 172 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 173 22 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 174 2S 0.03654 0.02832 -0.05156 0.00895 -0.00286 175 2PX -0.20194 0.12881 -0.15373 0.02089 -0.04590 176 2PY 0.02966 0.00068 0.02249 0.01389 0.02104 177 2PZ -0.12174 0.05267 -0.18960 0.04673 0.05294 178 3S 0.08737 0.04951 -0.10461 0.01780 0.00121 179 3PX -0.10901 0.07175 -0.08058 0.01162 -0.03278 180 3PY 0.00786 0.00892 0.00852 0.00961 0.01278 181 3PZ -0.05879 0.02980 -0.10566 0.03041 0.03687 182 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 183 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 184 4ZZ -0.00539 -0.00301 0.00038 -0.00006 -0.00122 185 4XY 0.00858 -0.00645 0.00493 -0.00083 0.00145 186 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 187 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 188 23 H 1S 0.00000 -0.00166 0.19586 -0.02668 0.00000 189 2S 0.00000 0.00843 0.14793 -0.02503 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00511 2 2S 0.02443 -0.04016 0.02195 -0.00836 0.01106 3 2PX 0.02173 -0.07887 0.05002 -0.02594 -0.06475 4 2PY 0.11436 -0.19123 0.00069 0.00045 -0.08215 5 2PZ 0.06211 -0.09336 0.01747 -0.01614 0.08542 6 3S 0.01834 -0.06650 0.07765 -0.05453 0.01056 7 3PX 0.00345 -0.03125 0.03147 -0.02535 -0.03996 8 3PY 0.03863 -0.05037 0.01267 -0.00306 -0.03213 9 3PZ 0.02361 -0.02975 0.01973 -0.01900 0.04539 10 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 11 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 12 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 13 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 14 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 15 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 16 2 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 17 2S 0.02443 -0.04016 -0.02195 0.00836 0.01106 18 2PX 0.02173 -0.07887 -0.05002 0.02594 -0.06475 19 2PY -0.11437 0.19124 0.00069 0.00045 0.08214 20 2PZ 0.06209 -0.09333 -0.01746 0.01614 0.08544 21 3S 0.01834 -0.06650 -0.07765 0.05453 0.01056 22 3PX 0.00345 -0.03125 -0.03147 0.02535 -0.03996 23 3PY -0.03864 0.05037 0.01268 -0.00307 0.03213 24 3PZ 0.02361 -0.02974 -0.01973 0.01900 0.04540 25 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 26 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 27 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 28 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 29 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 30 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 31 3 C 1S -0.00338 -0.00256 0.00623 -0.00443 -0.00778 32 2S 0.00582 0.00655 -0.01853 0.01276 0.01954 33 2PX -0.00251 0.01301 -0.05236 0.01323 -0.09596 34 2PY 0.01290 -0.05039 0.13675 -0.05874 -0.02133 35 2PZ 0.01550 0.03912 0.03082 -0.01262 0.06733 36 3S 0.01606 0.01081 0.01223 -0.01657 0.01465 37 3PX -0.00158 -0.01051 -0.05379 0.02956 -0.05666 38 3PY 0.00480 -0.00966 0.01682 -0.00962 -0.00986 39 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 40 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 41 4YY 0.00197 -0.00346 0.00662 -0.00265 -0.00410 42 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 43 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 44 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 45 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 46 4 C 1S 0.00306 -0.02069 0.00248 -0.00130 -0.00272 47 2S -0.00755 0.04516 0.00036 0.00386 0.00793 48 2PX 0.08122 -0.04527 -0.15595 0.08167 0.08062 49 2PY 0.07396 -0.21890 0.01045 -0.00256 0.04209 50 2PZ 0.00721 -0.16430 0.09245 -0.04279 -0.06564 51 3S -0.00372 0.08486 -0.04621 -0.00035 -0.00102 52 3PX 0.03275 -0.01866 -0.06140 0.02252 0.03263 53 3PY 0.03468 -0.09032 0.04180 -0.01346 0.01866 54 3PZ 0.01609 -0.08315 0.06036 -0.02689 -0.02495 55 4XX 0.00435 -0.01048 -0.00122 0.00088 0.00329 56 4YY -0.00171 0.00682 0.00236 -0.00079 -0.00059 57 4ZZ -0.00110 -0.00220 0.00012 -0.00014 -0.00286 58 4XY 0.00073 -0.00052 -0.01121 0.00586 0.00004 59 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 60 4YZ -0.00023 -0.00023 0.00379 -0.00186 -0.00002 61 5 C 1S 0.00306 -0.02069 -0.00248 0.00130 -0.00272 62 2S -0.00755 0.04516 -0.00036 -0.00386 0.00793 63 2PX 0.08122 -0.04526 0.15595 -0.08167 0.08062 64 2PY -0.07396 0.21893 0.01046 -0.00257 -0.04208 65 2PZ 0.00720 -0.16427 -0.09245 0.04279 -0.06564 66 3S -0.00372 0.08486 0.04621 0.00035 -0.00102 67 3PX 0.03275 -0.01866 0.06140 -0.02252 0.03263 68 3PY -0.03468 0.09034 0.04181 -0.01346 -0.01866 69 3PZ 0.01609 -0.08314 -0.06035 0.02689 -0.02495 70 4XX 0.00435 -0.01048 0.00122 -0.00088 0.00329 71 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 72 4ZZ -0.00110 -0.00220 -0.00012 0.00014 -0.00286 73 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 74 4XZ 0.00447 0.00227 0.00668 -0.00433 0.00978 75 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 76 6 C 1S -0.00338 -0.00256 -0.00623 0.00443 -0.00778 77 2S 0.00582 0.00655 0.01853 -0.01276 0.01954 78 2PX -0.00251 0.01301 0.05236 -0.01323 -0.09596 79 2PY -0.01290 0.05038 0.13676 -0.05874 0.02132 80 2PZ 0.01549 0.03913 -0.03080 0.01261 0.06734 81 3S 0.01606 0.01081 -0.01223 0.01657 0.01465 82 3PX -0.00158 -0.01051 0.05379 -0.02956 -0.05666 83 3PY -0.00480 0.00966 0.01682 -0.00962 0.00985 84 3PZ 0.00693 -0.01470 -0.01455 0.00025 0.04226 85 4XX -0.00094 0.00035 0.00514 -0.00165 0.00137 86 4YY 0.00197 -0.00346 -0.00662 0.00265 -0.00410 87 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 88 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 89 4XZ 0.00133 0.00138 0.00401 -0.00235 0.00624 90 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00250 91 7 H 1S -0.06114 0.11467 -0.01200 0.01065 0.01681 92 2S -0.05781 0.11959 -0.00973 0.00874 0.01666 93 8 H 1S -0.06114 0.11467 0.01200 -0.01065 0.01681 94 2S -0.05781 0.11959 0.00973 -0.00874 0.01666 95 9 H 1S 0.01387 -0.03208 0.07863 -0.03237 -0.02009 96 2S 0.01012 -0.03590 0.08717 -0.02909 -0.02221 97 10 H 1S 0.06090 -0.08551 -0.08472 0.04665 0.05425 98 2S 0.04165 -0.08607 -0.09766 0.06874 0.05668 99 11 H 1S 0.06090 -0.08551 0.08472 -0.04665 0.05425 100 2S 0.04165 -0.08607 0.09766 -0.06874 0.05668 101 12 H 1S 0.01387 -0.03208 -0.07863 0.03237 -0.02009 102 2S 0.01012 -0.03590 -0.08717 0.02909 -0.02221 103 13 H 1S -0.02004 -0.07973 -0.11099 0.05668 -0.05822 104 2S -0.02532 -0.07535 -0.09567 0.05380 -0.06182 105 14 H 1S -0.02004 -0.07973 0.11099 -0.05668 -0.05822 106 2S -0.02532 -0.07535 0.09567 -0.05380 -0.06182 107 15 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 108 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 109 2PX 0.11955 0.02817 -0.05552 0.07432 0.12387 110 2PY -0.23107 -0.11832 -0.00836 0.00354 0.18252 111 2PZ -0.09963 -0.03293 0.08252 0.04468 -0.12769 112 3S -0.05887 -0.02341 0.07144 0.10610 0.00159 113 3PX 0.05942 0.01762 -0.05556 -0.00859 0.08671 114 3PY -0.05968 -0.02882 0.01931 0.05217 0.05865 115 3PZ -0.04603 -0.00577 0.03759 -0.01251 -0.08090 116 4XX 0.01016 0.00359 -0.00612 0.00543 0.00039 117 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 118 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 119 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 120 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 121 4YZ 0.00406 0.00262 -0.00412 0.00351 -0.00620 122 16 C 1S 0.01689 0.00694 0.01729 0.03094 -0.00027 123 2S -0.03769 -0.01690 -0.03518 -0.07034 0.00351 124 2PX 0.11955 0.02817 0.05552 -0.07432 0.12387 125 2PY 0.23109 0.11833 -0.00835 0.00355 -0.18250 126 2PZ -0.09960 -0.03291 -0.08252 -0.04468 -0.12772 127 3S -0.05887 -0.02341 -0.07144 -0.10610 0.00159 128 3PX 0.05942 0.01762 0.05556 0.00859 0.08671 129 3PY 0.05969 0.02882 0.01932 0.05216 -0.05864 130 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 131 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 132 4YY -0.00909 -0.00439 0.00395 0.01151 0.00543 133 4ZZ 0.00693 0.00473 -0.00789 -0.00274 -0.00897 134 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 135 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 136 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 137 17 C 1S -0.03130 -0.01593 0.00000 0.00000 0.02086 138 2S 0.07640 0.03965 0.00000 0.00000 -0.05254 139 2PX -0.15448 -0.07159 0.00000 0.00000 -0.06521 140 2PY 0.00000 0.00000 -0.06919 -0.17971 -0.00001 141 2PZ -0.01810 0.00012 -0.00001 -0.00002 0.17945 142 3S 0.08254 0.04564 0.00000 0.00000 -0.06787 143 3PX -0.06702 -0.03035 0.00000 0.00000 -0.00660 144 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 145 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 146 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 147 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 148 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 149 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 150 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 151 4YZ 0.00000 0.00000 -0.00761 0.01714 0.00000 152 18 H 1S 0.10332 0.05197 0.00695 -0.00528 -0.04078 153 2S 0.09582 0.05555 0.01356 0.00958 -0.05590 154 19 H 1S 0.05619 0.02390 0.00000 0.00000 0.12007 155 2S 0.05455 0.01111 0.00000 0.00000 0.15196 156 20 H 1S 0.10332 0.05197 -0.00695 0.00528 -0.04078 157 2S 0.09582 0.05555 -0.01356 -0.00958 -0.05590 158 21 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 159 2S -0.07462 -0.02608 -0.03965 -0.07270 0.03595 160 2PX -0.04359 -0.02396 -0.17543 -0.06750 0.13863 161 2PY 0.20893 0.08342 0.09716 0.41166 -0.10603 162 2PZ -0.11689 -0.03177 0.20954 -0.03325 -0.09788 163 3S -0.17860 -0.07433 -0.06345 -0.13343 0.08452 164 3PX -0.02994 -0.01451 -0.12787 -0.04961 0.09597 165 3PY 0.12845 0.05037 0.06188 0.27481 -0.06919 166 3PZ -0.07704 -0.02162 0.13953 -0.02378 -0.06028 167 4XX -0.00403 -0.00040 0.00514 -0.00060 -0.01004 168 4YY 0.01542 0.00641 0.00348 0.02028 -0.00698 169 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 170 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 171 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 172 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 173 22 O 1S 0.03751 0.01425 -0.01761 -0.03612 -0.01841 174 2S -0.07462 -0.02608 0.03965 0.07270 0.03595 175 2PX -0.04359 -0.02396 0.17543 0.06750 0.13863 176 2PY -0.20891 -0.08342 0.09720 0.41166 0.10604 177 2PZ -0.11693 -0.03178 -0.20952 0.03332 -0.09786 178 3S -0.17860 -0.07433 0.06345 0.13343 0.08452 179 3PX -0.02994 -0.01451 0.12787 0.04961 0.09597 180 3PY -0.12844 -0.05037 0.06191 0.27480 0.06920 181 3PZ -0.07706 -0.02163 -0.13952 0.02382 -0.06027 182 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 183 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 184 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 185 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00211 186 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 187 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 188 23 H 1S -0.05864 -0.02633 0.00000 0.00000 -0.10328 189 2S -0.06677 -0.02973 0.00000 0.00000 -0.09892 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.00476 0.00272 0.00196 -0.01120 -0.00590 2 2S 0.00545 -0.01588 -0.00791 0.02347 0.01966 3 2PX -0.04989 -0.14856 -0.00088 -0.19345 -0.11968 4 2PY 0.00448 0.01668 -0.21061 0.00888 -0.02878 5 2PZ -0.05528 -0.12129 0.02498 0.20517 0.15114 6 3S 0.04961 0.07021 0.00324 0.05552 -0.04888 7 3PX -0.00354 -0.02662 0.00318 -0.12751 -0.12084 8 3PY 0.02035 0.04055 -0.07792 -0.00528 -0.07360 9 3PZ -0.00506 -0.00321 0.02231 0.13574 0.09142 10 4XX 0.00022 -0.00152 0.00351 -0.00665 -0.01019 11 4YY -0.00207 -0.00041 -0.00856 0.00362 0.00345 12 4ZZ 0.00243 0.00732 0.00764 0.00066 0.00537 13 4XY 0.00501 0.01190 0.00292 -0.00789 0.00667 14 4XZ 0.00311 0.00451 0.00649 -0.00105 -0.00071 15 4YZ 0.00530 0.00993 0.00311 0.00356 -0.01174 16 2 C 1S 0.00476 -0.00272 0.00196 -0.01120 0.00590 17 2S -0.00545 0.01588 -0.00791 0.02347 -0.01966 18 2PX 0.04989 0.14856 -0.00088 -0.19345 0.11967 19 2PY 0.00447 0.01665 0.21061 -0.00891 -0.02875 20 2PZ 0.05528 0.12129 0.02501 0.20517 -0.15114 21 3S -0.04961 -0.07021 0.00324 0.05552 0.04888 22 3PX 0.00354 0.02662 0.00318 -0.12751 0.12084 23 3PY 0.02035 0.04055 0.07792 0.00526 -0.07359 24 3PZ 0.00507 0.00322 0.02232 0.13574 -0.09143 25 4XX -0.00022 0.00152 0.00351 -0.00665 0.01019 26 4YY 0.00207 0.00040 -0.00856 0.00363 -0.00345 27 4ZZ -0.00243 -0.00732 0.00764 0.00066 -0.00537 28 4XY 0.00501 0.01190 -0.00292 0.00789 0.00667 29 4XZ -0.00311 -0.00451 0.00649 -0.00104 0.00071 30 4YZ 0.00530 0.00993 -0.00311 -0.00356 -0.01174 31 3 C 1S 0.01043 -0.00118 -0.00072 0.01248 -0.01316 32 2S -0.02696 -0.00313 0.00765 -0.02322 0.02809 33 2PX -0.08860 -0.10026 -0.06197 -0.12502 0.25642 34 2PY 0.05356 0.02350 -0.18182 0.07742 -0.08080 35 2PZ -0.10171 -0.23178 0.05579 0.04046 -0.15998 36 3S -0.02196 0.05077 -0.02049 -0.06289 0.04142 37 3PX -0.04268 -0.04288 -0.02755 -0.07269 0.19394 38 3PY 0.01134 -0.02971 -0.04897 0.05952 -0.02271 39 3PZ -0.03861 -0.09630 0.02302 0.03570 -0.14703 40 4XX 0.00064 0.00142 0.00777 0.01107 -0.00723 41 4YY 0.00225 0.00267 -0.02072 0.00379 -0.00184 42 4ZZ -0.00156 -0.00579 0.00930 -0.01078 0.00813 43 4XY 0.00278 0.00455 -0.00177 0.00378 -0.00203 44 4XZ -0.00614 0.00381 0.00470 -0.00194 -0.00293 45 4YZ 0.00326 0.00689 0.00267 -0.00447 0.00138 46 4 C 1S 0.00999 0.00302 0.00649 0.00204 -0.00752 47 2S -0.02397 -0.00984 -0.01910 -0.00731 0.00933 48 2PX -0.14177 0.16971 0.00755 0.05504 -0.07888 49 2PY -0.01371 -0.01039 0.27372 -0.09270 -0.01321 50 2PZ 0.17315 0.18133 -0.03437 0.01721 0.03513 51 3S -0.05248 -0.02786 -0.00792 -0.01556 0.09907 52 3PX -0.07492 0.08644 0.00320 0.01734 -0.04012 53 3PY -0.01213 0.00215 0.13289 -0.06110 -0.01255 54 3PZ 0.06067 0.11415 -0.03283 -0.01014 0.01887 55 4XX 0.00130 0.00941 0.00760 0.00246 -0.00620 56 4YY 0.00038 -0.00084 -0.01218 0.00278 -0.00399 57 4ZZ 0.00066 -0.00559 0.00679 -0.00717 0.00915 58 4XY -0.00981 0.01125 0.00067 -0.00033 -0.00312 59 4XZ -0.00982 0.00252 0.00308 0.00570 -0.01276 60 4YZ 0.01005 0.01132 0.00382 -0.00204 0.00325 61 5 C 1S -0.00999 -0.00302 0.00649 0.00204 0.00752 62 2S 0.02397 0.00984 -0.01910 -0.00731 -0.00933 63 2PX 0.14177 -0.16971 0.00755 0.05504 0.07888 64 2PY -0.01368 -0.01036 -0.27371 0.09270 -0.01321 65 2PZ -0.17315 -0.18133 -0.03442 0.01723 -0.03513 66 3S 0.05248 0.02786 -0.00792 -0.01556 -0.09907 67 3PX 0.07492 -0.08644 0.00320 0.01734 0.04012 68 3PY -0.01212 0.00217 -0.13289 0.06110 -0.01254 69 3PZ -0.06067 -0.11415 -0.03285 -0.01013 -0.01887 70 4XX -0.00130 -0.00941 0.00760 0.00246 0.00620 71 4YY -0.00038 0.00084 -0.01218 0.00278 0.00399 72 4ZZ -0.00065 0.00559 0.00678 -0.00717 -0.00915 73 4XY -0.00981 0.01125 -0.00067 0.00033 -0.00312 74 4XZ 0.00982 -0.00252 0.00308 0.00570 0.01276 75 4YZ 0.01005 0.01132 -0.00382 0.00204 0.00326 76 6 C 1S -0.01043 0.00118 -0.00072 0.01248 0.01316 77 2S 0.02696 0.00313 0.00765 -0.02322 -0.02809 78 2PX 0.08860 0.10026 -0.06197 -0.12502 -0.25642 79 2PY 0.05354 0.02346 0.18181 -0.07743 -0.08083 80 2PZ 0.10171 0.23178 0.05582 0.04045 0.15997 81 3S 0.02196 -0.05077 -0.02049 -0.06289 -0.04141 82 3PX 0.04268 0.04288 -0.02755 -0.07269 -0.19394 83 3PY 0.01134 -0.02972 0.04897 -0.05953 -0.02273 84 3PZ 0.03861 0.09630 0.02303 0.03569 0.14703 85 4XX -0.00064 -0.00142 0.00777 0.01107 0.00723 86 4YY -0.00225 -0.00268 -0.02072 0.00379 0.00184 87 4ZZ 0.00156 0.00579 0.00930 -0.01078 -0.00813 88 4XY 0.00278 0.00456 0.00177 -0.00378 -0.00203 89 4XZ 0.00614 -0.00381 0.00470 -0.00194 0.00293 90 4YZ 0.00326 0.00689 -0.00267 0.00447 0.00138 91 7 H 1S 0.05627 0.12072 0.06929 -0.02891 -0.02584 92 2S 0.06641 0.15113 0.08112 -0.03231 -0.05062 93 8 H 1S -0.05627 -0.12072 0.06929 -0.02891 0.02584 94 2S -0.06641 -0.15113 0.08112 -0.03231 0.05062 95 9 H 1S 0.02692 0.02561 -0.15224 0.03721 -0.02188 96 2S 0.04164 0.03571 -0.16879 0.04308 -0.05193 97 10 H 1S -0.06151 0.13918 0.06452 0.01833 -0.06722 98 2S -0.01784 0.12495 0.06740 0.04702 -0.11833 99 11 H 1S 0.06151 -0.13918 0.06452 0.01833 0.06722 100 2S 0.01784 -0.12495 0.06740 0.04702 0.11833 101 12 H 1S -0.02692 -0.02561 -0.15225 0.03721 0.02188 102 2S -0.04164 -0.03571 -0.16879 0.04308 0.05193 103 13 H 1S -0.14061 -0.00339 0.03761 -0.04876 -0.08656 104 2S -0.14961 0.00227 0.04294 -0.04233 -0.10180 105 14 H 1S 0.14061 0.00339 0.03761 -0.04876 0.08657 106 2S 0.14961 -0.00227 0.04294 -0.04233 0.10180 107 15 C 1S 0.00393 -0.00532 -0.00346 -0.01309 -0.00047 108 2S -0.01436 0.00844 0.00540 0.03296 0.00361 109 2PX 0.06828 -0.04151 -0.04074 -0.03638 0.07531 110 2PY 0.02132 -0.01540 -0.07046 -0.02276 -0.01352 111 2PZ -0.03286 0.00483 0.01753 -0.00901 -0.10138 112 3S 0.03894 0.03292 0.01008 0.03756 0.00178 113 3PX 0.06157 -0.01581 -0.02908 -0.01482 0.08052 114 3PY 0.04199 -0.00392 -0.02061 -0.01829 0.01803 115 3PZ -0.00485 0.02486 0.01762 0.00808 -0.07061 116 4XX 0.01180 -0.00671 -0.00323 -0.01368 -0.00967 117 4YY -0.00250 0.00149 -0.00236 0.00225 0.00210 118 4ZZ -0.00724 0.00410 0.00537 0.00947 0.00514 119 4XY -0.00318 0.00175 -0.00108 0.00084 -0.00517 120 4XZ -0.00161 -0.00018 0.00258 0.00409 0.00505 121 4YZ 0.00352 -0.00072 0.00251 0.00145 0.00741 122 16 C 1S -0.00393 0.00532 -0.00346 -0.01309 0.00047 123 2S 0.01436 -0.00844 0.00540 0.03296 -0.00361 124 2PX -0.06828 0.04151 -0.04074 -0.03638 -0.07532 125 2PY 0.02131 -0.01540 0.07046 0.02276 -0.01353 126 2PZ 0.03287 -0.00484 0.01754 -0.00900 0.10139 127 3S -0.03894 -0.03292 0.01008 0.03756 -0.00177 128 3PX -0.06157 0.01581 -0.02908 -0.01482 -0.08053 129 3PY 0.04199 -0.00391 0.02061 0.01828 0.01802 130 3PZ 0.00485 -0.02486 0.01762 0.00808 0.07062 131 4XX -0.01180 0.00671 -0.00323 -0.01368 0.00967 132 4YY 0.00250 -0.00149 -0.00236 0.00225 -0.00210 133 4ZZ 0.00724 -0.00410 0.00537 0.00947 -0.00514 134 4XY -0.00318 0.00175 0.00108 -0.00084 -0.00516 135 4XZ 0.00161 0.00018 0.00258 0.00409 -0.00505 136 4YZ 0.00352 -0.00072 -0.00251 -0.00145 0.00741 137 17 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 138 2S 0.00000 0.00000 0.01383 0.00372 0.00000 139 2PX 0.00000 0.00000 0.03289 0.07150 0.00000 140 2PY -0.01509 -0.00163 0.00001 0.00001 -0.00731 141 2PZ 0.00000 0.00000 -0.08194 -0.11323 0.00000 142 3S 0.00000 0.00000 0.01435 0.00062 0.00000 143 3PX 0.00000 0.00000 0.00510 0.00276 0.00000 144 3PY 0.01075 -0.00629 0.00000 0.00000 -0.01242 145 3PZ 0.00000 0.00000 -0.02067 -0.01324 0.00000 146 4XX 0.00000 0.00000 0.00861 0.01578 0.00000 147 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 148 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00000 149 4XY -0.00912 0.00346 0.00000 0.00000 0.00582 150 4XZ 0.00000 0.00000 0.00054 -0.00057 0.00000 151 4YZ 0.01719 -0.00728 0.00000 0.00000 -0.00599 152 18 H 1S 0.01308 -0.01728 0.03246 0.04364 -0.06508 153 2S 0.00241 -0.01914 0.03077 0.03395 -0.06999 154 19 H 1S 0.00000 0.00000 -0.05915 -0.10844 0.00000 155 2S 0.00000 0.00000 -0.07280 -0.14170 0.00000 156 20 H 1S -0.01308 0.01728 0.03246 0.04364 0.06508 157 2S -0.00241 0.01914 0.03077 0.03395 0.06999 158 21 O 1S 0.00440 -0.00152 0.00621 0.00387 0.00233 159 2S -0.00432 0.00463 -0.01234 -0.00699 -0.00184 160 2PX 0.17415 -0.06324 -0.06114 -0.10720 -0.07182 161 2PY 0.09844 -0.05456 0.03246 0.00040 -0.00159 162 2PZ -0.24696 0.11973 0.06058 0.16847 0.07459 163 3S -0.03610 -0.00559 -0.02749 -0.02268 -0.02602 164 3PX 0.13312 -0.04309 -0.04360 -0.07748 -0.06051 165 3PY 0.06165 -0.03945 0.02184 -0.00023 -0.00653 166 3PZ -0.16747 0.08424 0.04203 0.12560 0.06611 167 4XX -0.00451 0.00313 0.00401 0.00662 -0.00115 168 4YY 0.00627 -0.00197 0.00166 0.00057 0.00071 169 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 0.00435 170 4XY 0.00615 -0.00148 -0.00085 -0.00285 -0.00244 171 4XZ 0.00110 -0.00037 -0.00081 -0.00131 0.00043 172 4YZ -0.01005 0.00528 0.00312 0.00633 0.00287 173 22 O 1S -0.00440 0.00152 0.00621 0.00387 -0.00233 174 2S 0.00432 -0.00463 -0.01234 -0.00699 0.00184 175 2PX -0.17415 0.06324 -0.06114 -0.10720 0.07183 176 2PY 0.09840 -0.05454 -0.03247 -0.00043 -0.00158 177 2PZ 0.24698 -0.11974 0.06057 0.16847 -0.07460 178 3S 0.03610 0.00559 -0.02749 -0.02268 0.02602 179 3PX -0.13312 0.04309 -0.04360 -0.07748 0.06052 180 3PY 0.06162 -0.03944 -0.02185 0.00021 -0.00652 181 3PZ 0.16748 -0.08424 0.04202 0.12560 -0.06611 182 4XX 0.00451 -0.00313 0.00401 0.00662 0.00115 183 4YY -0.00626 0.00197 0.00166 0.00057 -0.00071 184 4ZZ -0.00321 0.00022 -0.00221 -0.00374 -0.00435 185 4XY 0.00615 -0.00148 0.00085 0.00285 -0.00244 186 4XZ -0.00110 0.00037 -0.00081 -0.00131 -0.00043 187 4YZ -0.01005 0.00528 -0.00312 -0.00633 0.00287 188 23 H 1S 0.00000 0.00000 0.04716 0.08539 0.00000 189 2S 0.00000 0.00000 0.05042 0.11069 0.00000 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08378 0.11232 1 1 C 1S -0.00195 0.00460 -0.00662 0.02285 -0.02044 2 2S 0.00985 -0.00465 0.01376 -0.05095 0.02313 3 2PX 0.15347 -0.12043 -0.20343 0.03994 -0.07620 4 2PY 0.02330 -0.03533 -0.00587 0.03603 -0.05710 5 2PZ -0.11252 0.10313 0.15777 0.02657 -0.09757 6 3S 0.02459 -0.03351 -0.00389 -0.24361 0.42064 7 3PX 0.12908 -0.17272 -0.30031 0.08830 -0.15505 8 3PY 0.00711 -0.02149 -0.06008 0.06201 -0.11730 9 3PZ -0.08402 0.14990 0.17049 0.09426 -0.19305 10 4XX -0.00252 0.01610 -0.00010 -0.00056 0.00123 11 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00097 12 4ZZ 0.00269 -0.00941 -0.00076 0.00528 -0.00295 13 4XY 0.00496 -0.00830 0.01074 0.00493 -0.00731 14 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00122 15 4YZ -0.00559 0.01374 -0.00904 0.00596 -0.00807 16 2 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02044 17 2S 0.00985 -0.00465 -0.01376 -0.05095 0.02313 18 2PX 0.15348 -0.12043 0.20343 0.03994 -0.07620 19 2PY -0.02328 0.03531 -0.00584 -0.03603 0.05712 20 2PZ -0.11253 0.10314 -0.15777 0.02656 -0.09756 21 3S 0.02460 -0.03351 0.00389 -0.24361 0.42064 22 3PX 0.12909 -0.17273 0.30030 0.08830 -0.15505 23 3PY -0.00710 0.02147 -0.06005 -0.06203 0.11733 24 3PZ -0.08403 0.14991 -0.17049 0.09425 -0.19303 25 4XX -0.00252 0.01610 0.00010 -0.00056 0.00123 26 4YY 0.00188 -0.00377 0.00175 -0.00387 -0.00098 27 4ZZ 0.00269 -0.00941 0.00076 0.00528 -0.00295 28 4XY -0.00496 0.00830 0.01074 -0.00493 0.00731 29 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00121 30 4YZ 0.00558 -0.01374 -0.00904 -0.00596 0.00807 31 3 C 1S -0.00472 -0.02868 -0.00880 0.02362 -0.04188 32 2S 0.02221 0.05167 0.04382 -0.04894 0.06230 33 2PX -0.03706 0.29285 0.00771 -0.00129 0.03379 34 2PY 0.00638 -0.09311 -0.01678 -0.07480 0.08531 35 2PZ 0.02563 -0.18156 -0.01168 0.00261 -0.01081 36 3S -0.04326 0.21347 -0.08589 -0.26265 0.59799 37 3PX -0.01517 0.37272 0.00127 0.00398 0.12812 38 3PY 0.03918 -0.10309 0.02706 -0.16936 0.23973 39 3PZ 0.04473 -0.21539 -0.03729 0.04881 0.06931 40 4XX -0.01126 0.00018 -0.01993 -0.00062 -0.00327 41 4YY 0.00295 -0.00195 0.00423 0.00824 -0.00911 42 4ZZ 0.00571 -0.00746 0.01353 -0.00332 0.00293 43 4XY 0.00115 0.00500 0.00004 0.00252 -0.00055 44 4XZ 0.00523 0.00385 0.00879 -0.00656 -0.00084 45 4YZ 0.00006 -0.00467 -0.00027 -0.00384 -0.00171 46 4 C 1S -0.01157 0.01411 -0.01542 0.05242 0.00921 47 2S 0.02705 -0.02558 0.03231 -0.07738 -0.00303 48 2PX -0.00739 0.01030 -0.02050 -0.09419 -0.10188 49 2PY -0.00756 0.01790 0.02726 -0.05153 -0.02532 50 2PZ -0.04302 0.02629 -0.05413 -0.08097 0.00525 51 3S 0.03916 -0.12991 0.14379 -0.73829 -0.26488 52 3PX -0.01335 0.01224 -0.05388 -0.18144 -0.21140 53 3PY -0.00260 -0.01352 0.04797 -0.19719 -0.15840 54 3PZ -0.03373 0.01985 -0.04196 -0.16103 0.07281 55 4XX -0.00183 -0.00650 -0.00244 0.01073 0.00045 56 4YY 0.00255 -0.00565 0.00081 -0.00369 -0.00067 57 4ZZ -0.00267 0.01495 0.00075 0.00228 -0.00187 58 4XY 0.00040 0.00587 -0.00101 0.00322 0.00055 59 4XZ 0.00393 -0.01388 0.00244 0.00026 0.00083 60 4YZ -0.00100 0.00202 -0.00226 0.00681 -0.00837 61 5 C 1S -0.01157 0.01411 0.01542 0.05242 0.00921 62 2S 0.02705 -0.02558 -0.03231 -0.07738 -0.00303 63 2PX -0.00738 0.01029 0.02050 -0.09419 -0.10188 64 2PY 0.00756 -0.01790 0.02725 0.05154 0.02532 65 2PZ -0.04302 0.02628 0.05413 -0.08096 0.00526 66 3S 0.03916 -0.12990 -0.14380 -0.73829 -0.26489 67 3PX -0.01335 0.01223 0.05388 -0.18144 -0.21140 68 3PY 0.00261 0.01352 0.04797 0.19721 0.15839 69 3PZ -0.03373 0.01985 0.04196 -0.16100 0.07284 70 4XX -0.00183 -0.00650 0.00244 0.01073 0.00045 71 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 72 4ZZ -0.00267 0.01495 -0.00075 0.00228 -0.00187 73 4XY -0.00040 -0.00587 -0.00101 -0.00322 -0.00055 74 4XZ 0.00393 -0.01388 -0.00244 0.00026 0.00083 75 4YZ 0.00100 -0.00203 -0.00226 -0.00682 0.00837 76 6 C 1S -0.00472 -0.02868 0.00880 0.02362 -0.04188 77 2S 0.02221 0.05167 -0.04382 -0.04894 0.06230 78 2PX -0.03707 0.29285 -0.00770 -0.00129 0.03380 79 2PY -0.00639 0.09314 -0.01678 0.07480 -0.08530 80 2PZ 0.02564 -0.18155 0.01168 0.00263 -0.01082 81 3S -0.04326 0.21347 0.08590 -0.26264 0.59799 82 3PX -0.01518 0.37272 -0.00125 0.00397 0.12813 83 3PY -0.03919 0.10312 0.02706 0.16935 -0.23974 84 3PZ 0.04473 -0.21538 0.03728 0.04884 0.06927 85 4XX -0.01126 0.00018 0.01993 -0.00062 -0.00327 86 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00911 87 4ZZ 0.00571 -0.00746 -0.01353 -0.00332 0.00293 88 4XY -0.00115 -0.00501 0.00005 -0.00251 0.00055 89 4XZ 0.00523 0.00385 -0.00879 -0.00656 -0.00084 90 4YZ -0.00006 0.00467 -0.00027 0.00384 0.00171 91 7 H 1S -0.00340 0.02130 -0.01092 0.02993 -0.02733 92 2S -0.00397 0.06247 -0.06752 0.37818 -0.61045 93 8 H 1S -0.00340 0.02130 0.01092 0.02993 -0.02733 94 2S -0.00397 0.06246 0.06752 0.37818 -0.61045 95 9 H 1S 0.01303 -0.01334 0.01335 0.02888 -0.02885 96 2S 0.00689 -0.05555 0.01293 0.42889 -0.62078 97 10 H 1S 0.00223 -0.02835 -0.00550 0.03639 0.00739 98 2S 0.02552 -0.04313 -0.00650 0.67004 0.35021 99 11 H 1S 0.00223 -0.02835 0.00549 0.03639 0.00739 100 2S 0.02552 -0.04313 0.00650 0.67004 0.35021 101 12 H 1S 0.01303 -0.01334 -0.01335 0.02888 -0.02885 102 2S 0.00690 -0.05554 -0.01293 0.42889 -0.62078 103 13 H 1S -0.01965 0.06087 0.01284 0.01247 -0.01631 104 2S -0.04990 0.20038 0.09828 0.34460 -0.17658 105 14 H 1S -0.01965 0.06087 -0.01284 0.01247 -0.01631 106 2S -0.04990 0.20038 -0.09827 0.34460 -0.17658 107 15 C 1S 0.01561 0.01166 -0.05212 0.01390 -0.00960 108 2S -0.02636 -0.03784 0.11165 -0.04164 0.00097 109 2PX 0.22000 0.15868 -0.23731 0.01567 -0.06760 110 2PY 0.08635 0.03385 -0.07432 0.03085 -0.05607 111 2PZ -0.17709 -0.09908 0.20977 0.03481 -0.11985 112 3S -0.11584 0.00283 0.27489 -0.14093 0.29372 113 3PX 0.14336 0.20305 -0.31509 0.07927 -0.14864 114 3PY 0.07613 0.00777 -0.23625 0.04994 -0.12632 115 3PZ -0.13606 -0.08002 0.11705 0.10463 -0.27848 116 4XX -0.00838 0.00551 -0.00422 0.00188 0.00358 117 4YY 0.00092 -0.00096 -0.00407 -0.00079 -0.00558 118 4ZZ 0.01023 0.00183 -0.00642 0.00347 -0.00128 119 4XY 0.01162 0.01368 0.01144 0.00154 -0.00287 120 4XZ 0.00281 -0.01141 -0.00575 -0.00155 0.00412 121 4YZ -0.01258 -0.01066 -0.00816 0.00258 -0.01277 122 16 C 1S 0.01561 0.01166 0.05213 0.01390 -0.00960 123 2S -0.02636 -0.03783 -0.11166 -0.04164 0.00097 124 2PX 0.22000 0.15867 0.23731 0.01567 -0.06760 125 2PY -0.08632 -0.03383 -0.07428 -0.03086 0.05609 126 2PZ -0.17710 -0.09908 -0.20978 0.03480 -0.11984 127 3S -0.11584 0.00283 -0.27489 -0.14093 0.29373 128 3PX 0.14336 0.20304 0.31510 0.07927 -0.14865 129 3PY -0.07611 -0.00775 -0.23624 -0.04996 0.12637 130 3PZ -0.13607 -0.08002 -0.11710 0.10462 -0.27846 131 4XX -0.00838 0.00551 0.00422 0.00188 0.00358 132 4YY 0.00091 -0.00097 0.00407 -0.00079 -0.00558 133 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00128 134 4XY -0.01162 -0.01368 0.01144 -0.00154 0.00287 135 4XZ 0.00281 -0.01141 0.00575 -0.00155 0.00413 136 4YZ 0.01258 0.01066 -0.00816 -0.00259 0.01277 137 17 C 1S 0.00839 -0.00001 0.00000 0.05870 0.04879 138 2S -0.02048 -0.00328 0.00000 -0.10857 -0.07178 139 2PX 0.07239 0.00106 0.00000 -0.05292 -0.05267 140 2PY 0.00000 0.00000 -0.06576 0.00002 0.00001 141 2PZ -0.02596 0.02195 -0.00001 -0.19215 -0.16881 142 3S -0.04373 0.02257 0.00000 -0.80831 -0.80857 143 3PX 0.01174 0.01859 0.00000 -0.17738 -0.14500 144 3PY -0.00001 0.00000 -0.11933 0.00004 0.00003 145 3PZ 0.05639 0.04091 -0.00001 -0.48220 -0.43517 146 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 147 4YY 0.00231 0.00338 0.00000 0.00118 -0.00217 148 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 149 4XY 0.00000 0.00000 -0.01363 0.00000 0.00000 150 4XZ 0.00047 0.00053 0.00000 -0.00823 -0.00557 151 4YZ 0.00000 0.00000 0.00627 0.00000 0.00000 152 18 H 1S 0.00984 -0.02415 0.06324 0.00918 -0.03359 153 2S 0.04017 -0.05985 0.35373 0.28070 -0.60422 154 19 H 1S -0.08859 -0.01615 0.00000 0.02914 0.04104 155 2S -0.16277 -0.08594 0.00000 0.84935 0.84396 156 20 H 1S 0.00984 -0.02415 -0.06324 0.00918 -0.03359 157 2S 0.04017 -0.05984 -0.35373 0.28070 -0.60422 158 21 O 1S -0.00598 0.00574 0.01755 0.01154 -0.00908 159 2S 0.00548 -0.00824 -0.04327 -0.03193 0.00992 160 2PX -0.18582 -0.01614 0.12507 0.01592 -0.06026 161 2PY -0.02667 -0.01483 -0.01589 -0.01248 0.02723 162 2PZ 0.21709 0.08072 -0.08196 0.00359 -0.00483 163 3S 0.06523 -0.07378 -0.11190 -0.11294 0.12145 164 3PX -0.15619 -0.00520 0.10863 0.03681 -0.07010 165 3PY -0.01189 -0.02619 -0.00818 -0.07042 0.05140 166 3PZ 0.17793 0.09788 -0.09527 0.04666 0.02238 167 4XX -0.00410 -0.00187 0.01483 -0.00271 -0.00460 168 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 169 4ZZ -0.00104 0.00593 -0.00725 -0.00047 -0.00323 170 4XY -0.00705 0.00053 0.00326 0.00059 0.00354 171 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 172 4YZ 0.00294 -0.00122 -0.00246 -0.00326 -0.00296 173 22 O 1S -0.00598 0.00574 -0.01755 0.01154 -0.00908 174 2S 0.00548 -0.00824 0.04327 -0.03193 0.00992 175 2PX -0.18581 -0.01613 -0.12508 0.01592 -0.06026 176 2PY 0.02663 0.01481 -0.01591 0.01248 -0.02723 177 2PZ 0.21710 0.08072 0.08196 0.00359 -0.00483 178 3S 0.06524 -0.07379 0.11189 -0.11294 0.12146 179 3PX -0.15619 -0.00520 -0.10863 0.03681 -0.07010 180 3PY 0.01186 0.02618 -0.00819 0.07041 -0.05140 181 3PZ 0.17793 0.09788 0.09527 0.04667 0.02237 182 4XX -0.00410 -0.00187 -0.01483 -0.00271 -0.00460 183 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00383 184 4ZZ -0.00104 0.00593 0.00725 -0.00047 -0.00323 185 4XY 0.00705 -0.00053 0.00326 -0.00059 -0.00354 186 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 187 4YZ -0.00294 0.00122 -0.00246 0.00326 0.00296 188 23 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 189 2S 0.14832 0.00357 0.00000 0.46144 0.42988 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12246 0.12316 0.13517 0.14424 1 1 C 1S -0.01472 0.01343 -0.03545 -0.01152 0.01725 2 2S 0.02930 -0.03708 0.05297 0.02271 -0.04594 3 2PX -0.20626 0.06448 -0.03816 -0.04251 -0.01094 4 2PY 0.01532 -0.01217 -0.04983 -0.01765 0.02897 5 2PZ 0.17835 -0.06583 -0.10322 0.00496 0.07776 6 3S 0.08409 -0.07653 0.54932 0.13733 -0.28577 7 3PX -0.36939 0.17337 -0.09596 -0.06050 0.04038 8 3PY -0.00938 0.03595 -0.19845 -0.03520 0.12838 9 3PZ 0.25885 -0.09451 -0.21210 -0.02202 0.10552 10 4XX 0.00910 -0.00564 -0.00671 -0.00170 0.00609 11 4YY -0.00704 0.00491 0.00454 0.00139 -0.00422 12 4ZZ -0.00669 0.00219 -0.00542 -0.00081 -0.00409 13 4XY 0.00974 -0.00311 -0.00605 -0.00813 0.00192 14 4XZ 0.00165 -0.00401 -0.00391 -0.00211 -0.00251 15 4YZ -0.00497 0.00068 -0.00978 0.00140 0.00319 16 2 C 1S 0.01472 -0.01344 -0.03545 -0.01152 0.01725 17 2S -0.02930 0.03709 0.05296 0.02271 -0.04594 18 2PX 0.20626 -0.06449 -0.03815 -0.04252 -0.01094 19 2PY 0.01535 -0.01217 0.04985 0.01765 -0.02898 20 2PZ -0.17835 0.06581 -0.10323 0.00496 0.07776 21 3S -0.08410 0.07661 0.54930 0.13733 -0.28579 22 3PX 0.36940 -0.17339 -0.09592 -0.06050 0.04039 23 3PY -0.00934 0.03596 0.19848 0.03520 -0.12840 24 3PZ -0.25885 0.09449 -0.21209 -0.02201 0.10551 25 4XX -0.00910 0.00564 -0.00671 -0.00170 0.00609 26 4YY 0.00704 -0.00491 0.00453 0.00139 -0.00422 27 4ZZ 0.00669 -0.00219 -0.00542 -0.00081 -0.00409 28 4XY 0.00974 -0.00310 0.00605 0.00814 -0.00192 29 4XZ -0.00165 0.00401 -0.00391 -0.00211 -0.00251 30 4YZ -0.00497 0.00068 0.00978 -0.00140 -0.00319 31 3 C 1S 0.01241 -0.01043 0.00405 -0.00801 -0.01006 32 2S -0.02187 0.01822 -0.01702 0.02439 0.01470 33 2PX -0.20669 0.13155 -0.04459 0.02642 0.03317 34 2PY 0.06484 -0.07508 0.06378 0.02524 -0.00245 35 2PZ 0.09824 -0.06752 -0.02117 -0.02584 0.01731 36 3S -0.13120 0.09174 -0.00531 0.04218 0.14325 37 3PX -0.26575 0.25690 -0.07840 0.11187 -0.05449 38 3PY 0.13975 -0.21344 0.13782 0.09397 0.01965 39 3PZ 0.14776 -0.00956 0.04882 -0.18963 -0.00187 40 4XX -0.00751 0.00131 0.00520 -0.00037 -0.00387 41 4YY -0.00257 0.00273 -0.00864 -0.00710 0.00507 42 4ZZ 0.01374 -0.00790 0.00157 0.00657 -0.00244 43 4XY -0.00786 0.00716 -0.01057 0.00574 -0.00282 44 4XZ -0.00242 0.00426 0.00486 0.00070 0.00048 45 4YZ 0.00725 -0.00381 -0.00075 -0.00433 0.00346 46 4 C 1S 0.00825 0.02081 0.01870 -0.03954 -0.00565 47 2S -0.00744 -0.00494 -0.01716 0.04340 0.00173 48 2PX -0.04527 -0.02642 0.11927 -0.11347 0.09430 49 2PY 0.05816 -0.05295 -0.02587 0.06765 0.01919 50 2PZ -0.02603 -0.01174 -0.14053 0.08816 0.01756 51 3S -0.13068 -0.44723 -0.40095 0.70585 0.14616 52 3PX -0.14921 -0.08562 0.34160 -0.30785 0.28076 53 3PY 0.15454 -0.10065 -0.13715 0.19197 0.03920 54 3PZ -0.04691 0.01253 -0.36406 0.20463 0.03936 55 4XX 0.00360 0.00004 0.00593 -0.00341 -0.00483 56 4YY 0.00718 -0.00134 0.00094 -0.00205 -0.00170 57 4ZZ -0.00924 0.00875 -0.00219 -0.00287 0.00399 58 4XY -0.00508 0.00122 -0.01139 0.00253 -0.00577 59 4XZ 0.00816 -0.00741 -0.01280 -0.00043 0.00028 60 4YZ -0.00191 0.00064 0.00399 -0.00403 -0.00053 61 5 C 1S -0.00825 -0.02081 0.01871 -0.03954 -0.00565 62 2S 0.00744 0.00494 -0.01716 0.04340 0.00173 63 2PX 0.04527 0.02644 0.11927 -0.11347 0.09430 64 2PY 0.05815 -0.05295 0.02590 -0.06766 -0.01920 65 2PZ 0.02605 0.01171 -0.14053 0.08815 0.01756 66 3S 0.13070 0.44717 -0.40101 0.70584 0.14618 67 3PX 0.14920 0.08567 0.34159 -0.30785 0.28076 68 3PY 0.15452 -0.10063 0.13723 -0.19201 -0.03920 69 3PZ 0.04695 -0.01260 -0.36404 0.20460 0.03936 70 4XX -0.00360 -0.00004 0.00593 -0.00341 -0.00483 71 4YY -0.00718 0.00134 0.00094 -0.00205 -0.00170 72 4ZZ 0.00924 -0.00875 -0.00219 -0.00287 0.00399 73 4XY -0.00508 0.00122 0.01139 -0.00253 0.00577 74 4XZ -0.00816 0.00741 -0.01280 -0.00043 0.00028 75 4YZ -0.00192 0.00064 -0.00399 0.00403 0.00053 76 6 C 1S -0.01241 0.01043 0.00405 -0.00801 -0.01006 77 2S 0.02187 -0.01822 -0.01702 0.02439 0.01471 78 2PX 0.20669 -0.13155 -0.04457 0.02642 0.03317 79 2PY 0.06486 -0.07510 -0.06376 -0.02523 0.00243 80 2PZ -0.09823 0.06750 -0.02119 -0.02584 0.01731 81 3S 0.13119 -0.09173 -0.00530 0.04218 0.14329 82 3PX 0.26575 -0.25691 -0.07836 0.11187 -0.05449 83 3PY 0.13978 -0.21346 -0.13780 -0.09394 -0.01968 84 3PZ -0.14774 0.00953 0.04879 -0.18964 -0.00187 85 4XX 0.00751 -0.00131 0.00520 -0.00037 -0.00387 86 4YY 0.00257 -0.00273 -0.00864 -0.00710 0.00507 87 4ZZ -0.01373 0.00790 0.00157 0.00657 -0.00245 88 4XY -0.00786 0.00716 0.01057 -0.00574 0.00282 89 4XZ 0.00242 -0.00426 0.00487 0.00070 0.00048 90 4YZ 0.00725 -0.00381 0.00074 0.00433 -0.00346 91 7 H 1S -0.01556 -0.00640 -0.05052 -0.02522 0.00284 92 2S -0.04240 0.04715 -0.70994 -0.19455 0.35527 93 8 H 1S 0.01556 0.00639 -0.05052 -0.02522 0.00284 94 2S 0.04243 -0.04726 -0.70993 -0.19455 0.35530 95 9 H 1S -0.01968 0.01720 -0.02651 -0.02468 0.01510 96 2S -0.09657 0.19924 -0.19806 -0.22098 -0.05302 97 10 H 1S 0.02404 -0.01409 -0.03251 0.00355 -0.02959 98 2S 0.18896 0.24194 -0.18541 -0.04943 -0.45198 99 11 H 1S -0.02404 0.01408 -0.03251 0.00355 -0.02959 100 2S -0.18896 -0.24196 -0.18538 -0.04943 -0.45199 101 12 H 1S 0.01968 -0.01721 -0.02651 -0.02468 0.01510 102 2S 0.09658 -0.19928 -0.19803 -0.22098 -0.05308 103 13 H 1S 0.04440 -0.03859 0.06347 -0.02405 0.01624 104 2S 0.19347 -0.20924 0.88267 -0.81913 0.17492 105 14 H 1S -0.04440 0.03860 0.06346 -0.02405 0.01624 106 2S -0.19350 0.20936 0.88263 -0.81913 0.17493 107 15 C 1S 0.04794 -0.00479 0.00435 0.02435 0.04021 108 2S -0.10827 0.00048 -0.02722 -0.02954 -0.08335 109 2PX 0.06053 -0.25258 0.06300 0.06636 -0.11905 110 2PY 0.09223 0.04988 0.00973 0.09771 0.05145 111 2PZ -0.10918 0.05714 0.08008 0.17974 -0.10592 112 3S -0.37773 0.13580 -0.07332 -0.54018 -0.46697 113 3PX 0.18604 -0.44209 0.14765 0.22749 -0.28787 114 3PY 0.15627 0.23151 0.04384 0.24359 0.21889 115 3PZ 0.02106 0.07079 0.19157 0.38937 -0.20634 116 4XX 0.00752 -0.00244 -0.00621 0.00002 0.00834 117 4YY -0.00149 -0.00781 -0.00050 0.00530 -0.01141 118 4ZZ 0.00679 0.00148 0.00663 0.00097 0.00472 119 4XY 0.00013 0.01185 0.00432 0.01083 -0.01372 120 4XZ 0.00120 0.00907 -0.00759 0.00081 0.01365 121 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 122 16 C 1S -0.04794 0.00479 0.00434 0.02435 0.04022 123 2S 0.10827 -0.00048 -0.02722 -0.02954 -0.08335 124 2PX -0.06053 0.25259 0.06296 0.06636 -0.11905 125 2PY 0.09221 0.04989 -0.00975 -0.09774 -0.05144 126 2PZ 0.10920 -0.05712 0.08009 0.17973 -0.10593 127 3S 0.37773 -0.13581 -0.07329 -0.54018 -0.46700 128 3PX -0.18605 0.44211 0.14758 0.22749 -0.28787 129 3PY 0.15627 0.23152 -0.04390 -0.24366 -0.21885 130 3PZ -0.02103 -0.07073 0.19158 0.38933 -0.20635 131 4XX -0.00752 0.00244 -0.00621 0.00002 0.00834 132 4YY 0.00149 0.00781 -0.00050 0.00530 -0.01141 133 4ZZ -0.00679 -0.00148 0.00663 0.00097 0.00473 134 4XY 0.00013 0.01185 -0.00432 -0.01083 0.01372 135 4XZ -0.00120 -0.00907 -0.00759 0.00081 0.01366 136 4YZ 0.00254 -0.00011 -0.01331 -0.01507 0.01041 137 17 C 1S 0.00000 0.00000 0.00922 0.05793 0.06459 138 2S 0.00000 0.00000 -0.04200 -0.09731 -0.09102 139 2PX 0.00000 -0.00001 -0.09026 -0.07814 -0.24185 140 2PY 0.22815 0.34653 -0.00002 0.00000 -0.00001 141 2PZ 0.00002 0.00003 0.03440 0.03544 0.13722 142 3S 0.00000 -0.00001 -0.08865 -0.79186 -0.99103 143 3PX 0.00000 -0.00002 -0.33436 -0.13290 -0.61815 144 3PY 0.62472 0.89006 -0.00006 -0.00001 -0.00002 145 3PZ 0.00005 0.00008 0.07127 0.07096 0.31583 146 4XX 0.00000 0.00000 0.00475 0.00394 0.01355 147 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 148 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 149 4XY 0.01713 0.01392 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 -0.00444 0.00494 0.00598 151 4YZ 0.01048 0.02310 0.00000 0.00000 0.00000 152 18 H 1S -0.04685 -0.03231 0.03819 0.05617 -0.00896 153 2S -0.41312 -0.11797 0.35409 0.94718 0.08384 154 19 H 1S 0.00000 0.00000 -0.01377 0.00902 0.02088 155 2S 0.00000 -0.00001 -0.15933 0.24446 -0.09554 156 20 H 1S 0.04685 0.03232 0.03819 0.05617 -0.00896 157 2S 0.41312 0.11801 0.35409 0.94718 0.08381 158 21 O 1S -0.04225 -0.06536 0.01860 0.00218 -0.04984 159 2S 0.06944 0.08841 -0.03273 -0.01870 0.07547 160 2PX 0.00185 0.09456 0.07721 0.07939 -0.09374 161 2PY 0.07136 0.08563 -0.04931 0.00007 0.07174 162 2PZ 0.07572 0.04196 0.01107 0.03753 -0.10706 163 3S 0.44627 0.81416 -0.23673 -0.00227 0.59809 164 3PX 0.05134 0.13202 0.12564 0.14091 -0.12568 165 3PY 0.13406 0.21680 -0.10622 -0.02041 0.15247 166 3PZ 0.13528 0.06380 0.01441 0.05125 -0.19970 167 4XX -0.02419 -0.02281 0.00578 -0.00588 -0.02160 168 4YY -0.00312 -0.01306 -0.00001 -0.00294 -0.01109 169 4ZZ -0.01339 -0.03606 0.00575 -0.00764 -0.01768 170 4XY 0.00078 -0.00036 -0.00395 -0.00725 -0.00875 171 4XZ -0.00908 -0.00782 -0.00539 -0.00310 -0.00243 172 4YZ 0.00293 0.00179 0.00258 -0.00064 0.00283 173 22 O 1S 0.04225 0.06536 0.01859 0.00218 -0.04984 174 2S -0.06944 -0.08841 -0.03272 -0.01870 0.07547 175 2PX -0.00186 -0.09454 0.07723 0.07939 -0.09374 176 2PY 0.07137 0.08564 0.04930 -0.00007 -0.07172 177 2PZ -0.07571 -0.04194 0.01109 0.03753 -0.10707 178 3S -0.44626 -0.81420 -0.23663 -0.00227 0.59809 179 3PX -0.05134 -0.13200 0.12565 0.14091 -0.12568 180 3PY 0.13408 0.21683 0.10619 0.02041 -0.15244 181 3PZ -0.13526 -0.06376 0.01443 0.05125 -0.19973 182 4XX 0.02419 0.02282 0.00578 -0.00588 -0.02160 183 4YY 0.00311 0.01306 -0.00001 -0.00295 -0.01109 184 4ZZ 0.01339 0.03606 0.00574 -0.00764 -0.01768 185 4XY 0.00078 -0.00037 0.00395 0.00725 0.00875 186 4XZ 0.00908 0.00782 -0.00539 -0.00310 -0.00242 187 4YZ 0.00293 0.00178 -0.00258 0.00064 -0.00283 188 23 H 1S 0.00000 0.00000 0.01443 0.00763 0.07892 189 2S 0.00000 0.00003 0.46073 0.59995 1.41909 51 52 53 54 55 V V V V V Eigenvalues -- 0.14525 0.16394 0.17144 0.17764 0.19270 1 1 C 1S -0.02425 0.01342 0.03540 0.04225 0.05795 2 2S 0.03790 0.03153 -0.03291 -0.06380 -0.07419 3 2PX -0.06623 0.07772 0.04042 -0.02960 0.07377 4 2PY -0.06666 0.04462 0.08608 -0.01234 0.06308 5 2PZ -0.06128 0.00047 0.03382 0.05977 0.06878 6 3S 0.58882 -0.40579 -0.73674 -0.58851 -0.87173 7 3PX -0.25313 0.05587 0.05154 0.06332 0.24374 8 3PY 0.06283 0.14059 0.35770 0.05287 0.20158 9 3PZ -0.23345 0.02446 0.02644 0.27864 0.43100 10 4XX -0.00007 -0.00263 -0.00019 -0.00112 0.00857 11 4YY 0.00806 0.00632 -0.00049 0.01160 0.00477 12 4ZZ -0.00483 0.00783 0.00683 -0.00001 0.00218 13 4XY 0.00076 0.00554 0.00138 0.00028 -0.00198 14 4XZ 0.00005 0.00677 0.00325 -0.00108 0.00454 15 4YZ 0.00102 -0.00218 -0.00822 -0.00325 -0.00261 16 2 C 1S 0.02425 0.01342 0.03540 -0.04225 -0.05795 17 2S -0.03790 0.03153 -0.03291 0.06380 0.07419 18 2PX 0.06623 0.07772 0.04042 0.02960 -0.07377 19 2PY -0.06667 -0.04462 -0.08609 -0.01234 0.06309 20 2PZ 0.06126 0.00046 0.03380 -0.05977 -0.06877 21 3S -0.58881 -0.40579 -0.73675 0.58851 0.87173 22 3PX 0.25313 0.05587 0.05154 -0.06332 -0.24374 23 3PY 0.06280 -0.14060 -0.35770 0.05292 0.20165 24 3PZ 0.23345 0.02444 0.02639 -0.27863 -0.43096 25 4XX 0.00007 -0.00263 -0.00019 0.00112 -0.00857 26 4YY -0.00806 0.00632 -0.00049 -0.01160 -0.00477 27 4ZZ 0.00483 0.00783 0.00684 0.00000 -0.00218 28 4XY 0.00076 -0.00554 -0.00138 0.00028 -0.00198 29 4XZ -0.00005 0.00677 0.00325 0.00108 -0.00454 30 4YZ 0.00102 0.00218 0.00822 -0.00325 -0.00261 31 3 C 1S 0.04503 -0.01274 -0.08277 0.00567 0.01577 32 2S -0.06344 0.01535 0.09999 -0.03023 -0.05213 33 2PX -0.07403 -0.05077 -0.02173 0.03492 -0.00216 34 2PY -0.20027 0.00293 0.07368 -0.05769 0.07589 35 2PZ 0.04236 0.03333 0.10837 0.03265 0.03257 36 3S -0.86603 0.25148 1.44152 0.00780 0.00384 37 3PX -0.12918 -0.09746 -0.09350 0.07812 0.09260 38 3PY -0.60181 -0.06295 0.25379 -0.33131 0.02696 39 3PZ 0.00885 0.04850 0.22289 0.36978 0.04453 40 4XX 0.00488 0.00114 -0.00527 -0.00106 0.00506 41 4YY 0.00187 0.00042 -0.00066 -0.00267 -0.01113 42 4ZZ 0.00171 -0.00449 -0.01047 0.00257 0.00737 43 4XY 0.00122 0.00341 -0.00076 0.00455 0.00474 44 4XZ -0.00652 -0.00018 -0.00084 0.00032 0.00377 45 4YZ -0.00442 0.00439 0.00510 0.01351 0.00338 46 4 C 1S 0.00352 -0.00213 0.03762 0.11465 0.00882 47 2S 0.02170 -0.01216 -0.03722 -0.09204 0.00021 48 2PX -0.03254 -0.01432 0.09149 -0.00513 -0.01488 49 2PY -0.07349 0.00881 -0.04080 0.04690 0.09718 50 2PZ -0.05408 0.08230 0.06546 -0.10604 -0.01340 51 3S -0.25080 0.12599 -0.62768 -2.23055 -0.21053 52 3PX -0.11662 0.05139 0.31201 0.07395 -0.16639 53 3PY 0.05574 0.03147 -0.28549 0.46145 0.31938 54 3PZ -0.09318 0.16446 0.27479 -0.21917 0.05668 55 4XX 0.00716 0.00076 -0.00269 0.00209 -0.00103 56 4YY -0.00723 -0.00271 -0.00300 0.01887 0.00931 57 4ZZ 0.00476 -0.00095 0.01230 0.00191 -0.00650 58 4XY -0.00052 -0.00303 -0.01179 0.00046 -0.00074 59 4XZ 0.00385 -0.00085 0.00567 -0.00039 -0.00394 60 4YZ 0.00037 -0.00453 -0.01440 -0.00167 -0.00248 61 5 C 1S -0.00352 -0.00213 0.03762 -0.11465 -0.00882 62 2S -0.02170 -0.01216 -0.03722 0.09204 -0.00021 63 2PX 0.03254 -0.01432 0.09149 0.00513 0.01488 64 2PY -0.07350 -0.00883 0.04079 0.04688 0.09718 65 2PZ 0.05406 0.08230 0.06547 0.10605 0.01341 66 3S 0.25080 0.12598 -0.62768 2.23056 0.21054 67 3PX 0.11661 0.05139 0.31201 -0.07395 0.16639 68 3PY 0.05573 -0.03150 0.28545 0.46141 0.31939 69 3PZ 0.09319 0.16445 0.27484 0.21925 -0.05663 70 4XX -0.00716 0.00076 -0.00269 -0.00209 0.00103 71 4YY 0.00723 -0.00271 -0.00300 -0.01886 -0.00931 72 4ZZ -0.00476 -0.00095 0.01230 -0.00191 0.00650 73 4XY -0.00052 0.00303 0.01179 0.00046 -0.00074 74 4XZ -0.00385 -0.00085 0.00567 0.00039 0.00394 75 4YZ 0.00037 0.00453 0.01439 -0.00167 -0.00249 76 6 C 1S -0.04503 -0.01274 -0.08277 -0.00567 -0.01577 77 2S 0.06344 0.01535 0.09999 0.03023 0.05213 78 2PX 0.07403 -0.05077 -0.02173 -0.03492 0.00216 79 2PY -0.20027 -0.00294 -0.07370 -0.05768 0.07589 80 2PZ -0.04239 0.03333 0.10836 -0.03266 -0.03256 81 3S 0.86602 0.25149 1.44152 -0.00780 -0.00384 82 3PX 0.12918 -0.09745 -0.09350 -0.07812 -0.09260 83 3PY -0.60180 0.06294 -0.25383 -0.33125 0.02697 84 3PZ -0.00895 0.04851 0.22285 -0.36983 -0.04453 85 4XX -0.00488 0.00114 -0.00527 0.00106 -0.00506 86 4YY -0.00187 0.00042 -0.00065 0.00267 0.01113 87 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 -0.00737 88 4XY 0.00121 -0.00341 0.00076 0.00455 0.00474 89 4XZ 0.00652 -0.00018 -0.00084 -0.00032 -0.00377 90 4YZ -0.00442 -0.00439 -0.00510 0.01351 0.00338 91 7 H 1S -0.00644 0.03754 0.01574 0.00140 0.04622 92 2S -0.59136 0.33135 0.60681 0.47283 1.01053 93 8 H 1S 0.00644 0.03754 0.01574 -0.00140 -0.04622 94 2S 0.59134 0.33135 0.60682 -0.47282 -1.01053 95 9 H 1S 0.02117 0.00172 -0.02367 -0.01788 -0.04066 96 2S 1.13255 -0.02829 -0.85870 0.32447 -0.14195 97 10 H 1S 0.02072 -0.01306 -0.03990 0.00289 -0.00957 98 2S 0.26003 -0.16324 -0.16958 0.67484 -0.00794 99 11 H 1S -0.02072 -0.01306 -0.03990 -0.00289 0.00957 100 2S -0.26001 -0.16324 -0.16958 -0.67485 0.00794 101 12 H 1S -0.02117 0.00172 -0.02367 0.01788 0.04066 102 2S -1.13255 -0.02829 -0.85870 -0.32447 0.14195 103 13 H 1S 0.00951 -0.00344 -0.00525 -0.00688 0.01237 104 2S -0.07287 -0.20797 0.31208 -0.87871 0.19383 105 14 H 1S -0.00951 -0.00344 -0.00525 0.00688 -0.01237 106 2S 0.07286 -0.20797 0.31208 0.87871 -0.19383 107 15 C 1S -0.03254 -0.05606 -0.00411 0.01465 -0.06492 108 2S 0.03711 0.09082 0.01993 -0.01499 0.09273 109 2PX 0.05904 0.06274 0.05491 0.02288 0.02879 110 2PY -0.01604 -0.12471 -0.02485 -0.03175 -0.01151 111 2PZ -0.13292 0.01298 0.08417 0.07702 -0.20250 112 3S 0.64246 0.90719 -0.10965 -0.25876 1.08645 113 3PX -0.00642 0.24252 0.12469 0.14352 -0.17591 114 3PY 0.04393 -0.44256 0.09533 0.02056 -0.01103 115 3PZ -0.45762 0.03543 0.16420 0.30114 -0.68653 116 4XX -0.00607 -0.00893 -0.00391 0.00026 -0.00874 117 4YY -0.00410 0.00892 -0.00009 0.01066 -0.01365 118 4ZZ 0.00078 -0.00113 0.00303 -0.00264 0.00178 119 4XY -0.00230 0.00448 0.00853 -0.00277 -0.00029 120 4XZ -0.00459 -0.01416 -0.00530 0.00129 -0.00699 121 4YZ 0.00612 0.01154 0.00978 -0.00383 0.01064 122 16 C 1S 0.03254 -0.05606 -0.00411 -0.01465 0.06492 123 2S -0.03711 0.09082 0.01993 0.01499 -0.09273 124 2PX -0.05903 0.06274 0.05491 -0.02287 -0.02879 125 2PY -0.01606 0.12471 0.02484 -0.03174 -0.01154 126 2PZ 0.13292 0.01300 0.08417 -0.07702 0.20250 127 3S -0.64243 0.90719 -0.10965 0.25877 -1.08645 128 3PX 0.00643 0.24252 0.12469 -0.14351 0.17591 129 3PY 0.04386 0.44255 -0.09536 0.02061 -0.01115 130 3PZ 0.45763 0.03550 0.16419 -0.30113 0.68653 131 4XX 0.00607 -0.00893 -0.00391 -0.00026 0.00874 132 4YY 0.00410 0.00892 -0.00009 -0.01066 0.01365 133 4ZZ -0.00078 -0.00113 0.00303 0.00264 -0.00178 134 4XY -0.00230 -0.00448 -0.00853 -0.00277 -0.00029 135 4XZ 0.00458 -0.01416 -0.00531 -0.00129 0.00699 136 4YZ 0.00612 -0.01154 -0.00978 -0.00384 0.01065 137 17 C 1S 0.00000 -0.01528 0.03925 0.00000 0.00000 138 2S 0.00000 0.02414 -0.06070 0.00000 0.00000 139 2PX 0.00001 -0.32141 0.16689 0.00000 0.00000 140 2PY 0.00271 0.00000 0.00000 -0.14840 0.09949 141 2PZ 0.00000 0.03833 -0.04018 -0.00001 0.00001 142 3S 0.00002 -0.02681 -0.49151 0.00000 0.00000 143 3PX 0.00001 -0.87053 0.49214 0.00000 0.00000 144 3PY 0.00467 0.00000 0.00000 -0.27942 0.20322 145 3PZ -0.00001 0.03006 -0.04321 -0.00002 0.00002 146 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 147 4YY 0.00000 0.00357 0.01187 0.00000 0.00000 148 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 149 4XY -0.00082 0.00000 0.00000 -0.01056 0.00499 150 4XZ 0.00000 -0.01428 0.00540 0.00000 0.00000 151 4YZ -0.00493 0.00000 0.00000 -0.00687 -0.00108 152 18 H 1S -0.00141 -0.00535 0.04189 0.00119 0.01945 153 2S 0.65975 -0.66008 0.32104 -0.36208 1.14813 154 19 H 1S 0.00000 -0.02508 -0.00109 0.00000 0.00000 155 2S 0.00000 -0.41251 0.49974 0.00000 0.00000 156 20 H 1S 0.00141 -0.00535 0.04189 -0.00119 -0.01945 157 2S -0.65975 -0.66009 0.32104 0.36208 -1.14813 158 21 O 1S -0.00159 0.05755 -0.00666 0.01644 -0.01098 159 2S -0.00091 -0.07982 0.00193 -0.00468 0.00175 160 2PX -0.01520 0.12680 0.05153 -0.04746 0.02944 161 2PY -0.03312 -0.10930 0.03792 -0.04562 -0.01502 162 2PZ 0.05337 0.05957 0.08771 -0.00971 0.07351 163 3S 0.05081 -0.76977 0.12921 -0.29204 0.22676 164 3PX -0.04414 0.28568 0.07353 -0.02559 -0.00315 165 3PY -0.00796 -0.23066 0.10400 -0.08179 0.04546 166 3PZ 0.07022 0.10987 0.13189 -0.04115 0.11090 167 4XX -0.00041 0.01876 0.00121 0.01400 -0.00845 168 4YY -0.00369 0.01340 -0.00496 0.00846 -0.00865 169 4ZZ 0.00378 0.02486 -0.00496 0.00872 0.00014 170 4XY -0.00258 0.00367 -0.00285 0.00136 -0.00432 171 4XZ 0.00418 -0.00495 0.00568 0.00709 0.00278 172 4YZ 0.00053 0.00850 -0.00259 0.00567 -0.00325 173 22 O 1S 0.00159 0.05755 -0.00666 -0.01644 0.01098 174 2S 0.00091 -0.07982 0.00193 0.00468 -0.00175 175 2PX 0.01520 0.12680 0.05153 0.04746 -0.02944 176 2PY -0.03311 0.10929 -0.03794 -0.04562 -0.01501 177 2PZ -0.05337 0.05959 0.08770 0.00971 -0.07351 178 3S -0.05084 -0.76977 0.12921 0.29204 -0.22676 179 3PX 0.04414 0.28569 0.07353 0.02559 0.00315 180 3PY -0.00794 0.23064 -0.10402 -0.08179 0.04548 181 3PZ -0.07021 0.10991 0.13187 0.04114 -0.11089 182 4XX 0.00041 0.01876 0.00121 -0.01400 0.00845 183 4YY 0.00369 0.01341 -0.00496 -0.00846 0.00865 184 4ZZ -0.00378 0.02486 -0.00496 -0.00872 -0.00014 185 4XY -0.00258 -0.00366 0.00285 0.00136 -0.00432 186 4XZ -0.00418 -0.00495 0.00568 -0.00709 -0.00278 187 4YZ 0.00054 -0.00851 0.00259 0.00567 -0.00325 188 23 H 1S 0.00000 0.01457 -0.03335 0.00000 0.00000 189 2S -0.00003 1.06608 -0.40328 0.00000 0.00000 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22888 0.23611 0.24272 1 1 C 1S 0.00898 0.05859 -0.01515 0.01034 0.00707 2 2S -0.03619 -0.13601 0.05891 -0.00292 0.00098 3 2PX -0.01192 0.02093 0.00005 0.04968 0.06868 4 2PY 0.01274 0.01849 -0.02989 -0.05794 0.09804 5 2PZ 0.02813 0.07637 0.02509 -0.02012 0.09176 6 3S -0.05631 -0.42281 0.21087 -0.49174 -0.42262 7 3PX 0.04411 0.39514 -0.03036 0.03041 0.24380 8 3PY 0.08881 0.33959 -0.20727 -0.27307 0.33855 9 3PZ 0.06028 0.60412 -0.09382 -0.10216 0.42503 10 4XX 0.00059 -0.00135 0.00295 -0.00345 -0.00450 11 4YY -0.00388 0.01273 0.00463 0.00661 0.01301 12 4ZZ 0.00042 -0.00281 -0.00173 -0.00600 -0.00900 13 4XY -0.00419 -0.00326 0.00700 -0.00146 -0.00905 14 4XZ -0.00138 -0.00016 0.00314 -0.00588 -0.01242 15 4YZ -0.00224 -0.00691 0.00326 0.00123 0.00233 16 2 C 1S 0.00898 -0.05859 -0.01515 -0.01034 0.00707 17 2S -0.03619 0.13601 0.05891 0.00292 0.00098 18 2PX -0.01192 -0.02093 0.00005 -0.04968 0.06867 19 2PY -0.01274 0.01850 0.02989 -0.05794 -0.09805 20 2PZ 0.02813 -0.07637 0.02509 0.02011 0.09175 21 3S -0.05630 0.42281 0.21086 0.49175 -0.42262 22 3PX 0.04411 -0.39514 -0.03036 -0.03041 0.24379 23 3PY -0.08882 0.33969 0.20729 -0.27308 -0.33862 24 3PZ 0.06026 -0.60406 -0.09379 0.10211 0.42497 25 4XX 0.00059 0.00135 0.00295 0.00345 -0.00450 26 4YY -0.00388 -0.01273 0.00463 -0.00661 0.01301 27 4ZZ 0.00042 0.00280 -0.00173 0.00600 -0.00900 28 4XY 0.00419 -0.00326 -0.00700 -0.00146 0.00905 29 4XZ -0.00138 0.00016 0.00314 0.00588 -0.01241 30 4YZ 0.00224 -0.00691 -0.00326 0.00123 -0.00232 31 3 C 1S -0.03046 0.05349 0.01361 -0.01868 0.04418 32 2S 0.04315 -0.08635 -0.01749 0.04378 -0.05056 33 2PX 0.01100 -0.00093 0.00263 0.02470 -0.03683 34 2PY 0.05151 -0.10985 -0.09754 -0.00660 0.18661 35 2PZ 0.01420 -0.00156 0.07718 0.00958 -0.19015 36 3S 0.45748 -0.53124 -0.24706 0.23448 -0.78783 37 3PX 0.11776 -0.07109 0.00446 0.38213 -0.21733 38 3PY 0.24763 -0.72527 -0.46856 0.09192 0.92167 39 3PZ 0.08113 0.08539 0.25180 0.03437 -0.84004 40 4XX -0.00320 -0.00112 0.00294 -0.00542 0.00220 41 4YY -0.00205 0.00461 -0.00280 0.00545 -0.00023 42 4ZZ -0.00167 0.00894 0.00262 -0.00161 0.00442 43 4XY 0.00206 0.00611 -0.00355 0.01081 -0.00141 44 4XZ -0.00275 0.00724 0.00845 -0.01199 0.00161 45 4YZ -0.00097 0.00099 0.00728 -0.00211 -0.00509 46 4 C 1S 0.01303 -0.06054 -0.03013 0.01377 -0.06151 47 2S -0.02079 0.09495 0.05545 -0.02944 0.05136 48 2PX -0.03120 -0.01282 0.10572 -0.29932 0.01856 49 2PY -0.00831 0.00091 0.06479 -0.01534 0.07098 50 2PZ 0.03355 0.03290 0.07420 0.13087 -0.09932 51 3S -0.24258 0.66901 0.47336 -0.12126 1.28495 52 3PX -0.06011 0.05726 0.48435 -1.18883 -0.08942 53 3PY -0.14211 0.13809 0.19267 -0.13310 0.33114 54 3PZ 0.06355 0.24736 0.33332 0.49765 -0.81828 55 4XX 0.00236 -0.00183 -0.01521 -0.00176 0.01028 56 4YY -0.00335 -0.01049 0.00251 0.00078 0.00190 57 4ZZ 0.00078 -0.00519 0.00889 0.00322 -0.02399 58 4XY -0.00133 0.00160 -0.01774 -0.00760 -0.00053 59 4XZ 0.00081 -0.00284 -0.00776 0.00144 -0.01388 60 4YZ -0.00610 0.00323 -0.00290 0.00410 0.01218 61 5 C 1S 0.01303 0.06054 -0.03013 -0.01377 -0.06151 62 2S -0.02079 -0.09495 0.05545 0.02944 0.05135 63 2PX -0.03120 0.01282 0.10572 0.29932 0.01857 64 2PY 0.00830 0.00092 -0.06480 -0.01532 -0.07096 65 2PZ 0.03355 -0.03290 0.07419 -0.13087 -0.09934 66 3S -0.24258 -0.66901 0.47336 0.12124 1.28494 67 3PX -0.06011 -0.05726 0.48435 1.18883 -0.08941 68 3PY 0.14211 0.13813 -0.19272 -0.13301 -0.33101 69 3PZ 0.06357 -0.24733 0.33328 -0.49766 -0.81833 70 4XX 0.00236 0.00183 -0.01521 0.00176 0.01028 71 4YY -0.00335 0.01049 0.00250 -0.00078 0.00190 72 4ZZ 0.00078 0.00519 0.00889 -0.00321 -0.02399 73 4XY 0.00133 0.00160 0.01774 -0.00760 0.00053 74 4XZ 0.00081 0.00284 -0.00775 -0.00144 -0.01388 75 4YZ 0.00610 0.00323 0.00290 0.00410 -0.01217 76 6 C 1S -0.03046 -0.05349 0.01361 0.01868 0.04418 77 2S 0.04316 0.08635 -0.01749 -0.04377 -0.05056 78 2PX 0.01100 0.00093 0.00263 -0.02470 -0.03683 79 2PY -0.05151 -0.10985 0.09753 -0.00660 -0.18658 80 2PZ 0.01419 0.00154 0.07719 -0.00958 -0.19018 81 3S 0.45748 0.53124 -0.24706 -0.23447 -0.78783 82 3PX 0.11776 0.07109 0.00446 -0.38213 -0.21734 83 3PY -0.24764 -0.72525 0.46852 0.09194 -0.92152 84 3PZ 0.08109 -0.08551 0.25188 -0.03434 -0.84019 85 4XX -0.00320 0.00112 0.00294 0.00542 0.00220 86 4YY -0.00205 -0.00461 -0.00279 -0.00545 -0.00023 87 4ZZ -0.00167 -0.00894 0.00262 0.00161 0.00442 88 4XY -0.00206 0.00611 0.00355 0.01081 0.00141 89 4XZ -0.00275 -0.00723 0.00845 0.01199 0.00161 90 4YZ 0.00097 0.00099 -0.00728 -0.00211 0.00509 91 7 H 1S -0.00958 0.01867 0.01229 -0.02153 -0.03805 92 2S 0.17253 1.03846 -0.22793 -0.06086 0.72432 93 8 H 1S -0.00958 -0.01867 0.01229 0.02153 -0.03805 94 2S 0.17252 -1.03846 -0.22792 0.06085 0.72432 95 9 H 1S -0.01807 0.06789 0.00171 0.02131 -0.00966 96 2S -0.47584 1.09001 0.63469 -0.17176 -0.74437 97 10 H 1S -0.00007 -0.02509 -0.12090 0.03223 0.02491 98 2S 0.16818 -0.45025 -1.02971 1.22633 -0.29097 99 11 H 1S -0.00007 0.02509 -0.12090 -0.03223 0.02491 100 2S 0.16819 0.45025 -1.02971 -1.22633 -0.29099 101 12 H 1S -0.01807 -0.06789 0.00171 -0.02131 -0.00966 102 2S -0.47584 -1.09001 0.63469 0.17177 -0.74437 103 13 H 1S -0.00472 0.01118 0.03959 0.02671 0.06590 104 2S -0.02490 0.52550 -0.10400 1.20372 0.08346 105 14 H 1S -0.00472 -0.01118 0.03959 -0.02671 0.06590 106 2S -0.02490 -0.52550 -0.10400 -1.20372 0.08345 107 15 C 1S 0.04178 0.03037 -0.00031 -0.00395 -0.01075 108 2S -0.08464 -0.07266 -0.02232 0.00833 0.01290 109 2PX -0.05172 -0.00311 -0.02244 0.02252 -0.00385 110 2PY 0.12664 0.03615 0.00699 -0.02660 -0.02176 111 2PZ -0.00529 0.08506 -0.00849 0.03452 -0.02704 112 3S -0.53917 -0.21767 0.07224 -0.01571 0.18148 113 3PX -0.08827 0.10867 0.04747 -0.00894 -0.02846 114 3PY 0.20051 0.38270 -0.05288 -0.08081 -0.06315 115 3PZ -0.03351 0.37432 0.00280 0.06914 -0.00096 116 4XX 0.00132 0.00559 -0.00473 -0.00671 -0.00382 117 4YY 0.00335 0.00683 0.00172 0.00170 0.00111 118 4ZZ 0.00173 -0.00097 0.00022 0.00121 0.00002 119 4XY -0.01155 0.00104 -0.00284 -0.00373 0.00425 120 4XZ -0.00065 0.00172 -0.00252 -0.00325 0.00117 121 4YZ -0.01108 -0.00490 -0.00438 -0.00103 -0.00162 122 16 C 1S 0.04178 -0.03037 -0.00031 0.00395 -0.01075 123 2S -0.08464 0.07266 -0.02232 -0.00833 0.01290 124 2PX -0.05172 0.00311 -0.02244 -0.02252 -0.00385 125 2PY -0.12664 0.03617 -0.00699 -0.02659 0.02176 126 2PZ -0.00531 -0.08505 -0.00849 -0.03453 -0.02703 127 3S -0.53917 0.21767 0.07224 0.01570 0.18148 128 3PX -0.08827 -0.10867 0.04747 0.00894 -0.02846 129 3PY -0.20050 0.38276 0.05288 -0.08080 0.06315 130 3PZ -0.03354 -0.37426 0.00281 -0.06915 -0.00095 131 4XX 0.00132 -0.00559 -0.00473 0.00671 -0.00382 132 4YY 0.00334 -0.00683 0.00172 -0.00170 0.00111 133 4ZZ 0.00173 0.00097 0.00022 -0.00121 0.00003 134 4XY 0.01155 0.00104 0.00284 -0.00373 -0.00425 135 4XZ -0.00065 -0.00172 -0.00252 0.00325 0.00117 136 4YZ 0.01108 -0.00490 0.00438 -0.00103 0.00162 137 17 C 1S -0.13287 0.00000 0.00659 0.00000 0.01037 138 2S 0.21013 0.00000 0.02144 0.00000 -0.03317 139 2PX -0.15656 0.00000 -0.02944 0.00000 0.03801 140 2PY 0.00001 0.00207 0.00003 -0.12175 0.00001 141 2PZ -0.15356 0.00000 -0.33518 -0.00001 -0.14489 142 3S 1.81184 -0.00001 -0.42574 0.00000 -0.21399 143 3PX -0.64691 0.00000 0.08759 0.00000 0.07370 144 3PY 0.00005 -0.15174 0.00008 -0.09342 0.00003 145 3PZ -0.60758 -0.00001 -0.96031 -0.00001 -0.35294 146 4XX 0.01719 0.00000 -0.00420 0.00000 -0.00520 147 4YY -0.03106 0.00000 -0.00884 0.00000 -0.00538 148 4ZZ 0.00853 0.00000 0.02074 0.00000 0.00606 149 4XY 0.00000 0.00318 0.00000 -0.01285 0.00000 150 4XZ -0.02413 0.00000 -0.00910 0.00000 -0.00454 151 4YZ 0.00000 0.00101 0.00000 -0.00586 0.00000 152 18 H 1S -0.03843 -0.01577 -0.00971 0.00110 0.00208 153 2S 0.39786 -0.72270 -0.02309 -0.03229 -0.19433 154 19 H 1S 0.02872 0.00000 0.11739 0.00000 0.04447 155 2S -0.41063 0.00000 1.47336 0.00000 0.62684 156 20 H 1S -0.03843 0.01577 -0.00971 -0.00110 0.00208 157 2S 0.39787 0.72270 -0.02308 0.03229 -0.19432 158 21 O 1S 0.03754 0.00430 0.01617 0.00885 0.00527 159 2S -0.03956 0.00495 -0.01840 -0.01049 -0.01019 160 2PX -0.15564 -0.01289 -0.08246 -0.02231 -0.00965 161 2PY -0.22886 0.01102 -0.09686 -0.05040 -0.03001 162 2PZ -0.14122 -0.05271 0.06621 0.01945 0.02167 163 3S -0.57423 -0.12537 -0.25921 -0.10884 -0.07851 164 3PX -0.29283 -0.01056 -0.10254 -0.00064 -0.01005 165 3PY -0.49005 -0.05530 -0.16626 -0.03401 -0.03138 166 3PZ -0.27047 -0.08392 0.09307 -0.00127 0.04713 167 4XX 0.01433 0.00336 0.00695 0.01039 0.00302 168 4YY 0.01413 0.00250 0.01073 0.00269 0.00063 169 4ZZ 0.01612 0.00484 -0.00058 0.00183 -0.00040 170 4XY 0.00569 0.00008 0.00763 0.00085 0.00252 171 4XZ -0.01376 -0.00552 -0.00621 0.00775 -0.00281 172 4YZ 0.00570 -0.00204 0.00121 0.00676 -0.00218 173 22 O 1S 0.03754 -0.00430 0.01617 -0.00885 0.00527 174 2S -0.03956 -0.00495 -0.01840 0.01049 -0.01019 175 2PX -0.15564 0.01289 -0.08246 0.02231 -0.00965 176 2PY 0.22889 0.01101 0.09685 -0.05040 0.03001 177 2PZ -0.14118 0.05271 0.06622 -0.01946 0.02168 178 3S -0.57423 0.12538 -0.25921 0.10884 -0.07851 179 3PX -0.29284 0.01056 -0.10254 0.00063 -0.01005 180 3PY 0.49010 -0.05532 0.16625 -0.03401 0.03137 181 3PZ -0.27038 0.08392 0.09310 0.00126 0.04714 182 4XX 0.01433 -0.00336 0.00696 -0.01039 0.00302 183 4YY 0.01413 -0.00250 0.01073 -0.00270 0.00063 184 4ZZ 0.01612 -0.00485 -0.00058 -0.00183 -0.00039 185 4XY -0.00568 0.00008 -0.00763 0.00085 -0.00252 186 4XZ -0.01376 0.00552 -0.00621 -0.00775 -0.00281 187 4YZ -0.00570 -0.00204 -0.00121 0.00675 0.00218 188 23 H 1S 0.05445 0.00000 -0.02906 0.00000 -0.01541 189 2S -0.30248 0.00000 -0.22065 0.00000 -0.13184 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S 0.00769 0.04918 -0.06115 -0.00227 -0.00128 2 2S -0.01974 -0.05121 0.03526 -0.00790 0.02212 3 2PX -0.06482 -0.02938 0.10791 -0.06932 0.02059 4 2PY -0.01800 -0.19977 -0.04489 0.03378 -0.03084 5 2PZ -0.15615 0.04039 0.10439 0.05971 0.00494 6 3S -0.13973 -1.39768 1.97743 -0.08223 -0.13809 7 3PX -0.35997 0.00150 0.90327 -0.13319 0.04294 8 3PY -0.17703 -1.37838 -0.73215 -0.09863 -0.22936 9 3PZ -0.57675 0.29815 0.79014 -0.00010 -0.03204 10 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 11 4YY 0.00104 0.02470 0.00742 -0.01043 0.00338 12 4ZZ 0.00483 -0.01758 -0.00116 -0.00623 0.00019 13 4XY 0.00241 -0.00353 0.02269 0.00382 0.00019 14 4XZ -0.00234 -0.01440 -0.01145 -0.00795 0.00113 15 4YZ 0.00641 0.00072 0.02428 -0.00019 -0.00158 16 2 C 1S -0.00769 -0.04918 -0.06115 0.00227 0.00128 17 2S 0.01974 0.05121 0.03526 0.00790 -0.02212 18 2PX 0.06482 0.02938 0.10791 0.06932 -0.02059 19 2PY -0.01803 -0.19976 0.04487 0.03379 -0.03084 20 2PZ 0.15614 -0.04043 0.10440 -0.05970 -0.00494 21 3S 0.13972 1.39770 1.97743 0.08222 0.13809 22 3PX 0.35997 -0.00150 0.90328 0.13319 -0.04294 23 3PY -0.17714 -1.37832 0.73203 -0.09863 -0.22936 24 3PZ 0.57672 -0.29837 0.79027 0.00008 0.03200 25 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 26 4YY -0.00104 -0.02470 0.00743 0.01043 -0.00338 27 4ZZ -0.00482 0.01758 -0.00117 0.00623 -0.00019 28 4XY 0.00241 -0.00353 -0.02269 0.00382 0.00020 29 4XZ 0.00234 0.01440 -0.01145 0.00795 -0.00113 30 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 31 3 C 1S 0.00502 -0.05458 0.04993 -0.01183 0.00112 32 2S 0.01910 0.06382 -0.05071 0.01457 0.03162 33 2PX 0.03121 -0.03930 0.16617 -0.08599 0.01370 34 2PY -0.04681 -0.04807 0.13031 0.02965 -0.00220 35 2PZ -0.03008 0.15529 0.17505 0.02967 -0.00024 36 3S -0.41606 1.37438 -1.44223 0.20222 -0.12326 37 3PX 0.26619 -0.06225 1.06988 0.07215 -0.13162 38 3PY -0.13593 -0.13868 0.85981 0.07398 0.14651 39 3PZ 0.13965 0.67790 1.01358 0.10933 -0.14440 40 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00617 41 4YY -0.00719 0.02212 -0.00263 -0.00404 0.00162 42 4ZZ 0.00575 -0.01851 -0.00222 -0.00470 0.00847 43 4XY 0.01179 0.01093 0.01300 0.00593 0.00777 44 4XZ 0.00619 -0.01088 0.00236 0.00062 -0.00587 45 4YZ 0.01996 0.01501 0.01318 -0.00466 -0.00688 46 4 C 1S 0.04247 0.02516 0.01175 0.00099 -0.00753 47 2S -0.04861 -0.02439 -0.00762 -0.00883 -0.00490 48 2PX 0.03238 0.14626 0.02916 -0.00402 0.00999 49 2PY 0.32590 -0.14215 -0.07103 -0.06989 -0.01890 50 2PZ 0.12552 0.20178 0.02882 0.00684 -0.05847 51 3S -0.69552 -0.42733 -0.49267 -0.01370 0.20470 52 3PX 0.14533 0.58979 -0.15245 -0.00259 0.00974 53 3PY 1.37287 -0.47710 -0.29474 -0.28805 -0.14399 54 3PZ 0.45328 0.90090 0.04831 0.03161 -0.24743 55 4XX -0.01494 0.00164 -0.00573 0.00479 -0.00054 56 4YY 0.02628 -0.00810 0.01241 -0.00497 -0.00126 57 4ZZ -0.00596 0.01032 -0.00591 -0.00218 -0.00275 58 4XY 0.00264 0.00240 0.00662 0.00051 0.00135 59 4XZ -0.00093 0.01344 -0.00627 0.00208 0.01221 60 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 61 5 C 1S -0.04247 -0.02516 0.01175 -0.00099 0.00753 62 2S 0.04861 0.02439 -0.00762 0.00883 0.00490 63 2PX -0.03238 -0.14627 0.02917 0.00402 -0.00999 64 2PY 0.32592 -0.14211 0.07102 -0.06989 -0.01891 65 2PZ -0.12547 -0.20181 0.02884 -0.00686 0.05846 66 3S 0.69553 0.42732 -0.49268 0.01370 -0.20470 67 3PX -0.14533 -0.58979 -0.15244 0.00259 -0.00974 68 3PY 1.37295 -0.47694 0.29474 -0.28804 -0.14403 69 3PZ -0.45306 -0.90098 0.04837 -0.03166 0.24741 70 4XX 0.01494 -0.00164 -0.00573 -0.00479 0.00054 71 4YY -0.02628 0.00810 0.01240 0.00498 0.00126 72 4ZZ 0.00596 -0.01032 -0.00590 0.00218 0.00275 73 4XY 0.00264 0.00240 -0.00662 0.00051 0.00136 74 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 75 4YZ 0.00508 0.00512 0.02348 -0.00169 -0.00198 76 6 C 1S -0.00502 0.05458 0.04993 0.01183 -0.00112 77 2S -0.01910 -0.06382 -0.05071 -0.01457 -0.03162 78 2PX -0.03121 0.03930 0.16617 0.08599 -0.01370 79 2PY -0.04681 -0.04805 -0.13034 0.02966 -0.00220 80 2PZ 0.03007 -0.15529 0.17503 -0.02967 0.00024 81 3S 0.41606 -1.37439 -1.44221 -0.20221 0.12326 82 3PX -0.26619 0.06226 1.06987 -0.07215 0.13163 83 3PY -0.13591 -0.13857 -0.85998 0.07400 0.14648 84 3PZ -0.13968 -0.67792 1.01344 -0.10932 0.14442 85 4XX -0.00287 0.00928 0.01015 -0.00493 0.00617 86 4YY 0.00719 -0.02213 -0.00263 0.00404 -0.00162 87 4ZZ -0.00575 0.01851 -0.00223 0.00470 -0.00847 88 4XY 0.01179 0.01093 -0.01300 0.00593 0.00777 89 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 90 4YZ 0.01996 0.01500 -0.01318 -0.00466 -0.00688 91 7 H 1S -0.00070 -0.06447 0.08431 -0.04222 0.00085 92 2S -0.70174 -0.13193 0.19510 -0.06215 -0.05947 93 8 H 1S 0.00070 0.06447 0.08431 0.04222 -0.00085 94 2S 0.70174 0.13193 0.19510 0.06215 0.05947 95 9 H 1S -0.04858 0.09263 -0.02683 -0.01844 -0.00913 96 2S 0.14693 -0.07472 -0.43579 -0.18359 -0.11046 97 10 H 1S -0.05918 0.00898 -0.03395 0.01518 0.03026 98 2S -0.65899 -0.47089 0.15168 0.11689 0.11295 99 11 H 1S 0.05918 -0.00898 -0.03395 -0.01518 -0.03026 100 2S 0.65899 0.47089 0.15168 -0.11689 -0.11295 101 12 H 1S 0.04858 -0.09263 -0.02683 0.01844 0.00913 102 2S -0.14694 0.07471 -0.43579 0.18359 0.11046 103 13 H 1S 0.03645 0.01799 -0.04194 -0.00550 0.02145 104 2S 0.53284 -0.09842 0.07689 -0.09632 -0.19821 105 14 H 1S -0.03645 -0.01799 -0.04194 0.00550 -0.02145 106 2S -0.53284 0.09843 0.07689 0.09632 0.19821 107 15 C 1S -0.00707 -0.00782 -0.00108 -0.02272 -0.11316 108 2S -0.00514 0.00678 -0.00359 -0.00747 0.12507 109 2PX -0.02774 0.03855 -0.00298 -0.12826 0.15943 110 2PY 0.04318 -0.00895 0.00520 0.24084 0.14949 111 2PZ 0.00627 -0.05664 0.01930 -0.08468 0.22709 112 3S 0.28474 0.09040 -0.02080 1.25384 2.60207 113 3PX -0.05063 0.02082 -0.03795 -0.70811 1.07755 114 3PY 0.29441 -0.17658 0.02074 1.79276 1.77010 115 3PZ 0.02145 -0.08867 -0.02233 -0.29481 0.98300 116 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 117 4YY -0.00600 -0.00273 0.00030 -0.02512 -0.02342 118 4ZZ 0.00244 -0.00104 0.00005 0.00402 0.01367 119 4XY 0.00176 0.00144 0.00388 0.00482 0.00227 120 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 121 4YZ 0.00090 0.00266 -0.00372 -0.00093 -0.00424 122 16 C 1S 0.00707 0.00782 -0.00108 0.02272 0.11316 123 2S 0.00513 -0.00678 -0.00359 0.00747 -0.12507 124 2PX 0.02774 -0.03855 -0.00297 0.12827 -0.15943 125 2PY 0.04318 -0.00895 -0.00520 0.24082 0.14952 126 2PZ -0.00627 0.05664 0.01930 0.08472 -0.22706 127 3S -0.28474 -0.09040 -0.02080 -1.25384 -2.60207 128 3PX 0.05063 -0.02082 -0.03795 0.70810 -1.07755 129 3PY 0.29442 -0.17660 -0.02074 1.79271 1.77026 130 3PZ -0.02140 0.08864 -0.02234 0.29511 -0.98270 131 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 132 4YY 0.00600 0.00273 0.00030 0.02512 0.02342 133 4ZZ -0.00244 0.00104 0.00005 -0.00402 -0.01367 134 4XY 0.00177 0.00144 -0.00388 0.00482 0.00227 135 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 136 4YZ 0.00090 0.00266 0.00372 -0.00092 -0.00423 137 17 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 138 2S 0.00000 0.00000 -0.02252 0.00000 0.00000 139 2PX 0.00000 0.00000 -0.00888 0.00000 0.00000 140 2PY 0.09125 0.07179 0.00000 -0.03526 0.31611 141 2PZ 0.00001 0.00001 0.02874 0.00000 0.00003 142 3S 0.00000 0.00000 -0.05185 0.00000 0.00000 143 3PX 0.00000 0.00000 0.03585 0.00000 0.00000 144 3PY -0.07852 0.09355 -0.00001 -0.95929 -0.10081 145 3PZ -0.00001 0.00001 0.05967 -0.00008 -0.00001 146 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 149 4XY 0.00726 0.00631 0.00000 -0.00644 0.01097 150 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 151 4YZ 0.00156 0.00332 0.00000 -0.00987 0.01510 152 18 H 1S -0.00774 0.01323 -0.01278 -0.02444 0.06638 153 2S -0.09422 0.28186 0.02669 -0.34192 -0.96147 154 19 H 1S 0.00000 0.00000 0.00723 0.00000 0.00000 155 2S 0.00000 0.00000 -0.06127 0.00000 0.00000 156 20 H 1S 0.00774 -0.01323 -0.01278 0.02444 -0.06638 157 2S 0.09422 -0.28186 0.02670 0.34192 0.96147 158 21 O 1S -0.00214 0.00067 -0.00131 -0.01840 0.04211 159 2S 0.00236 -0.01328 -0.02280 0.05335 -0.03818 160 2PX 0.01728 0.03930 0.03685 -0.18590 0.17936 161 2PY 0.00799 0.02597 0.03326 -0.08116 -0.01777 162 2PZ -0.03256 0.00828 -0.01284 -0.15782 0.16682 163 3S 0.00740 0.01948 0.09574 0.17069 -0.92177 164 3PX -0.01097 0.04493 0.00254 -0.44733 0.39734 165 3PY -0.01787 0.03110 0.03094 -0.21307 -0.29192 166 3PZ -0.04119 0.04894 -0.00676 -0.41047 0.27631 167 4XX -0.00244 -0.00765 -0.00359 0.00468 0.02430 168 4YY -0.00397 -0.00386 -0.00885 -0.00901 -0.00077 169 4ZZ 0.00187 0.00047 -0.01008 0.00491 0.01832 170 4XY -0.00586 0.00003 0.00149 -0.02044 -0.02167 171 4XZ -0.00771 -0.00505 -0.00142 0.00122 -0.01204 172 4YZ -0.00537 -0.00457 -0.00267 -0.01789 -0.01720 173 22 O 1S 0.00214 -0.00067 -0.00131 0.01840 -0.04211 174 2S -0.00236 0.01328 -0.02280 -0.05335 0.03818 175 2PX -0.01728 -0.03930 0.03685 0.18590 -0.17936 176 2PY 0.00799 0.02597 -0.03326 -0.08118 -0.01774 177 2PZ 0.03256 -0.00828 -0.01285 0.15780 -0.16682 178 3S -0.00740 -0.01948 0.09574 -0.17068 0.92177 179 3PX 0.01097 -0.04493 0.00254 0.44733 -0.39734 180 3PY -0.01788 0.03111 -0.03094 -0.21314 -0.29187 181 3PZ 0.04118 -0.04893 -0.00676 0.41043 -0.27636 182 4XX 0.00244 0.00765 -0.00359 -0.00468 -0.02430 183 4YY 0.00397 0.00386 -0.00885 0.00902 0.00078 184 4ZZ -0.00188 -0.00047 -0.01008 -0.00492 -0.01833 185 4XY -0.00587 0.00003 -0.00149 -0.02044 -0.02167 186 4XZ 0.00771 0.00505 -0.00142 -0.00122 0.01204 187 4YZ -0.00537 -0.00457 0.00267 -0.01789 -0.01720 188 23 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 189 2S 0.00000 0.00000 0.04273 0.00000 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50830 1 1 C 1S -0.09297 -0.00201 0.03357 -0.00378 -0.00424 2 2S 0.03027 -0.05807 -0.01630 0.06496 -0.33227 3 2PX 0.04080 -0.09832 -0.16367 0.12707 -0.08379 4 2PY 0.15074 -0.04980 0.22078 -0.24791 -0.03594 5 2PZ 0.11609 0.12613 -0.11091 0.13660 -0.06440 6 3S 3.56246 0.19086 -1.45067 -0.00097 0.36895 7 3PX 1.02295 0.08339 -1.81193 -0.14165 0.06500 8 3PY 2.25607 -0.03302 1.70956 0.36907 0.01924 9 3PZ 1.26285 -0.11803 -1.45101 -0.15616 0.07953 10 4XX 0.00255 0.00697 0.01396 0.01030 -0.00993 11 4YY -0.00686 -0.00883 -0.02035 -0.02338 -0.04662 12 4ZZ 0.00742 -0.00205 -0.00210 0.01747 -0.01514 13 4XY -0.00892 0.00697 0.00316 -0.01909 0.00376 14 4XZ 0.00498 -0.00169 0.00251 0.01943 -0.03192 15 4YZ -0.00824 0.00591 0.00460 -0.01976 0.00080 16 2 C 1S 0.09297 -0.00201 -0.03357 -0.00378 -0.00424 17 2S -0.03027 -0.05807 0.01630 0.06496 -0.33227 18 2PX -0.04080 -0.09831 0.16368 0.12707 -0.08379 19 2PY 0.15076 0.04979 0.22076 0.24789 0.03595 20 2PZ -0.11606 0.12614 0.11094 0.13664 -0.06440 21 3S -3.56246 0.19092 1.45065 -0.00098 0.36895 22 3PX -1.02294 0.08346 1.81194 -0.14165 0.06500 23 3PY 2.25629 0.03310 1.70930 -0.36905 -0.01926 24 3PZ -1.26248 -0.11797 1.45130 -0.15623 0.07953 25 4XX -0.00255 0.00697 -0.01396 0.01030 -0.00993 26 4YY 0.00686 -0.00882 0.02035 -0.02339 -0.04662 27 4ZZ -0.00742 -0.00206 0.00210 0.01748 -0.01514 28 4XY -0.00892 -0.00696 0.00316 0.01909 -0.00376 29 4XZ -0.00498 -0.00169 -0.00251 0.01944 -0.03192 30 4YZ -0.00824 -0.00592 0.00461 0.01975 -0.00081 31 3 C 1S -0.08006 0.00722 0.04116 -0.00014 -0.00066 32 2S 0.05679 -0.09493 0.01175 0.02361 -0.13254 33 2PX 0.11023 -0.04990 0.05357 -0.24898 0.09737 34 2PY -0.12927 0.06155 0.05970 0.00809 0.00595 35 2PZ 0.14487 -0.02279 0.19039 -0.19371 0.07367 36 3S 2.35127 0.00819 -2.13750 0.14984 -0.00473 37 3PX -0.28430 0.03970 1.64567 0.47751 -0.05962 38 3PY -1.87574 -0.04098 0.91901 0.00706 0.10325 39 3PZ 0.57147 0.19470 1.79581 0.34749 -0.17708 40 4XX -0.00039 -0.00234 0.02196 0.01143 -0.00869 41 4YY -0.00201 0.01230 -0.00825 -0.00915 -0.00644 42 4ZZ 0.00843 -0.02264 -0.01412 -0.01042 -0.00570 43 4XY -0.01699 -0.01243 0.00694 0.02815 -0.01018 44 4XZ 0.01030 -0.00885 0.01369 0.01366 -0.02765 45 4YZ -0.00523 0.01337 0.01282 0.02802 -0.00001 46 4 C 1S 0.05781 -0.00519 -0.00860 0.00041 0.00109 47 2S 0.02158 -0.06907 0.00009 0.06024 0.00094 48 2PX -0.01439 -0.16205 0.01035 0.07792 0.21391 49 2PY -0.02798 0.05303 -0.18918 -0.29529 -0.02150 50 2PZ 0.08587 0.16455 0.15361 0.04032 -0.00802 51 3S -1.82654 0.05271 0.03545 -0.21165 0.08723 52 3PX 0.50898 0.23945 -0.06437 -0.13889 -0.28036 53 3PY 0.40592 -0.05058 -1.14340 0.30662 0.05959 54 3PZ 1.62435 -0.14298 0.40049 -0.03669 -0.01693 55 4XX -0.01907 -0.00219 -0.00425 -0.01283 0.00774 56 4YY -0.00215 -0.01655 -0.00721 0.06120 0.00628 57 4ZZ 0.02746 -0.00827 0.01039 -0.03537 -0.00314 58 4XY -0.00208 -0.02134 0.00247 0.01223 0.02780 59 4XZ 0.01029 -0.02765 -0.02007 -0.00821 0.04329 60 4YZ 0.00175 0.01509 -0.00795 0.01223 -0.00195 61 5 C 1S -0.05781 -0.00519 0.00860 0.00041 0.00109 62 2S -0.02158 -0.06907 -0.00009 0.06024 0.00094 63 2PX 0.01439 -0.16205 -0.01035 0.07792 0.21391 64 2PY -0.02797 -0.05306 -0.18915 0.29529 0.02150 65 2PZ -0.08587 0.16454 -0.15364 0.04037 -0.00801 66 3S 1.82654 0.05271 -0.03545 -0.21165 0.08722 67 3PX -0.50898 0.23945 0.06436 -0.13889 -0.28036 68 3PY 0.40620 0.05056 -1.14333 -0.30661 -0.05959 69 3PZ -1.62428 -0.14298 -0.40067 -0.03674 -0.01694 70 4XX 0.01907 -0.00219 0.00425 -0.01283 0.00774 71 4YY 0.00215 -0.01654 0.00721 0.06121 0.00628 72 4ZZ -0.02746 -0.00827 -0.01039 -0.03538 -0.00314 73 4XY -0.00208 0.02135 0.00247 -0.01223 -0.02780 74 4XZ -0.01029 -0.02765 0.02007 -0.00821 0.04329 75 4YZ 0.00175 -0.01509 -0.00794 -0.01221 0.00195 76 6 C 1S 0.08006 0.00722 -0.04116 -0.00014 -0.00066 77 2S -0.05679 -0.09493 -0.01175 0.02361 -0.13254 78 2PX -0.11023 -0.04991 -0.05357 -0.24898 0.09737 79 2PY -0.12925 -0.06154 0.05974 -0.00806 -0.00596 80 2PZ -0.14489 -0.02281 -0.19038 -0.19371 0.07367 81 3S -2.35127 0.00826 2.13750 0.14983 -0.00473 82 3PX 0.28429 0.03964 -1.64567 0.47752 -0.05963 83 3PY -1.87565 0.04098 0.91932 -0.00713 -0.10321 84 3PZ -0.57178 0.19465 -1.79567 0.34750 -0.17710 85 4XX 0.00039 -0.00235 -0.02196 0.01143 -0.00869 86 4YY 0.00201 0.01230 0.00825 -0.00914 -0.00644 87 4ZZ -0.00843 -0.02264 0.01413 -0.01043 -0.00570 88 4XY -0.01699 0.01243 0.00694 -0.02815 0.01019 89 4XZ -0.01030 -0.00885 -0.01369 0.01365 -0.02765 90 4YZ -0.00523 -0.01336 0.01282 -0.02802 0.00001 91 7 H 1S -0.04078 0.00360 0.03607 -0.01154 -0.07765 92 2S 1.03640 -0.07839 -0.42445 0.04205 -0.04264 93 8 H 1S 0.04078 0.00360 -0.03607 -0.01154 -0.07765 94 2S -1.03639 -0.07837 0.42445 0.04205 -0.04264 95 9 H 1S -0.08373 0.07551 -0.03348 -0.01005 -0.02086 96 2S 0.74068 0.00037 -0.21711 -0.02504 -0.07774 97 10 H 1S -0.05309 -0.08392 -0.07743 -0.02363 0.14629 98 2S -0.17286 -0.08893 0.11364 0.07984 0.02159 99 11 H 1S 0.05309 -0.08391 0.07743 -0.02363 0.14629 100 2S 0.17286 -0.08894 -0.11364 0.07984 0.02159 101 12 H 1S 0.08373 0.07551 0.03348 -0.01005 -0.02086 102 2S -0.74069 0.00038 0.21711 -0.02504 -0.07773 103 13 H 1S 0.05923 0.13984 -0.06618 -0.02977 -0.17007 104 2S 0.28289 -0.06699 0.03726 0.04889 0.06074 105 14 H 1S -0.05923 0.13985 0.06617 -0.02977 -0.17007 106 2S -0.28289 -0.06699 -0.03726 0.04889 0.06074 107 15 C 1S -0.00851 -0.00398 -0.00859 0.00102 -0.02782 108 2S 0.00020 -0.21680 0.06365 -0.08097 -0.01551 109 2PX 0.01228 0.05395 0.10261 -0.19445 0.16422 110 2PY 0.01548 -0.31632 -0.06959 0.02027 -0.20528 111 2PZ -0.02133 0.10349 0.11323 0.10946 0.29643 112 3S 0.24230 0.06161 -0.06708 0.02899 0.07285 113 3PX -0.06028 -0.04799 0.10796 0.22596 -0.16291 114 3PY 0.09739 0.42496 -0.15073 0.02393 0.19061 115 3PZ 0.03028 -0.22591 0.09965 -0.13176 -0.32421 116 4XX 0.00106 0.00757 0.00261 -0.00457 0.00939 117 4YY -0.00314 -0.07466 0.00906 -0.00698 -0.01799 118 4ZZ 0.00220 0.02591 -0.00882 -0.00177 -0.03214 119 4XY 0.00293 -0.00272 -0.00245 -0.01435 0.02750 120 4XZ 0.00122 -0.02770 -0.00470 -0.00534 -0.02621 121 4YZ 0.00143 -0.00265 0.00129 -0.02036 -0.00775 122 16 C 1S 0.00851 -0.00398 0.00859 0.00102 -0.02782 123 2S -0.00020 -0.21680 -0.06364 -0.08097 -0.01551 124 2PX -0.01228 0.05395 -0.10261 -0.19445 0.16422 125 2PY 0.01548 0.31630 -0.06958 -0.02029 0.20523 126 2PZ 0.02134 0.10354 -0.11324 0.10946 0.29647 127 3S -0.24230 0.06161 0.06707 0.02898 0.07285 128 3PX 0.06028 -0.04800 -0.10796 0.22596 -0.16291 129 3PY 0.09739 -0.42492 -0.15070 -0.02390 -0.19056 130 3PZ -0.03026 -0.22598 -0.09967 -0.13177 -0.32425 131 4XX -0.00106 0.00757 -0.00261 -0.00457 0.00939 132 4YY 0.00313 -0.07466 -0.00905 -0.00699 -0.01799 133 4ZZ -0.00220 0.02591 0.00882 -0.00177 -0.03214 134 4XY 0.00293 0.00273 -0.00245 0.01435 -0.02750 135 4XZ -0.00122 -0.02770 0.00470 -0.00534 -0.02621 136 4YZ 0.00143 0.00263 0.00128 0.02036 0.00775 137 17 C 1S 0.00000 0.01004 0.00000 0.00756 -0.01609 138 2S 0.00000 -0.36575 0.00001 -0.00673 0.09793 139 2PX 0.00000 0.37671 -0.00001 -0.13864 -0.29035 140 2PY 0.10843 -0.00003 0.00495 -0.00001 0.00000 141 2PZ 0.00001 0.31870 -0.00001 0.05627 0.03597 142 3S 0.00000 0.91964 -0.00002 -0.07167 -0.12244 143 3PX 0.00000 -0.79804 0.00002 0.39768 0.43635 144 3PY -0.12639 0.00006 0.10561 0.00001 0.00003 145 3PZ -0.00001 -0.71020 0.00002 -0.12293 -0.34443 146 4XX 0.00000 -0.01088 0.00000 -0.02611 -0.03732 147 4YY 0.00000 0.03632 0.00000 0.00514 0.00493 148 4ZZ 0.00000 -0.01435 0.00000 0.02865 0.01858 149 4XY 0.00484 0.00000 -0.00375 0.00000 0.00000 150 4XZ 0.00000 -0.01529 0.00000 0.01364 -0.00822 151 4YZ 0.00822 0.00000 -0.00877 0.00000 0.00000 152 18 H 1S 0.00191 -0.07819 0.02194 -0.08484 -0.19783 153 2S 0.07238 -0.02443 -0.03000 0.08760 -0.04188 154 19 H 1S 0.00000 0.03702 0.00000 0.07919 0.08964 155 2S 0.00000 0.00407 0.00000 0.07708 0.24458 156 20 H 1S -0.00191 -0.07820 -0.02194 -0.08484 -0.19783 157 2S -0.07238 -0.02443 0.03000 0.08761 -0.04188 158 21 O 1S 0.00186 0.01080 0.00849 -0.00174 0.01452 159 2S -0.02440 0.05184 0.01339 -0.03067 -0.13482 160 2PX 0.04319 0.06607 0.01177 -0.02348 -0.00452 161 2PY 0.02800 0.08564 -0.04253 0.07266 -0.11358 162 2PZ -0.01783 0.04854 0.07972 0.00510 0.13819 163 3S -0.02136 -0.49419 -0.13229 0.07026 0.26418 164 3PX -0.00347 -0.04423 0.11388 -0.07298 -0.06762 165 3PY -0.01733 -0.33907 0.01452 -0.01389 0.01204 166 3PZ -0.00914 -0.00444 0.06746 0.07318 0.03810 167 4XX -0.00512 0.05358 0.01305 -0.00815 -0.01021 168 4YY -0.01149 -0.05525 0.01115 -0.01384 -0.02059 169 4ZZ -0.00653 0.04798 0.01701 -0.02074 -0.02284 170 4XY -0.00422 -0.02184 -0.00797 0.01260 -0.00405 171 4XZ -0.00977 -0.01921 0.01774 -0.01579 0.03916 172 4YZ -0.00900 -0.02335 0.00248 0.00084 -0.00754 173 22 O 1S -0.00186 0.01080 -0.00849 -0.00174 0.01452 174 2S 0.02440 0.05184 -0.01340 -0.03067 -0.13482 175 2PX -0.04319 0.06607 -0.01177 -0.02348 -0.00452 176 2PY 0.02800 -0.08565 -0.04251 -0.07266 0.11356 177 2PZ 0.01783 0.04852 -0.07973 0.00508 0.13821 178 3S 0.02136 -0.49419 0.13231 0.07026 0.26418 179 3PX 0.00347 -0.04424 -0.11388 -0.07298 -0.06763 180 3PY -0.01733 0.33907 0.01452 0.01388 -0.01205 181 3PZ 0.00913 -0.00438 -0.06746 0.07318 0.03809 182 4XX 0.00512 0.05358 -0.01305 -0.00815 -0.01021 183 4YY 0.01150 -0.05525 -0.01115 -0.01384 -0.02059 184 4ZZ 0.00653 0.04799 -0.01701 -0.02074 -0.02284 185 4XY -0.00422 0.02184 -0.00796 -0.01260 0.00404 186 4XZ 0.00977 -0.01920 -0.01774 -0.01579 0.03916 187 4YZ -0.00900 0.02333 0.00248 -0.00084 0.00755 188 23 H 1S 0.00000 0.05634 0.00000 -0.11197 -0.15010 189 2S 0.00000 0.05052 0.00000 -0.09423 -0.07488 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54653 0.54787 0.54867 0.56891 1 1 C 1S -0.00606 -0.00087 0.00970 -0.00162 0.04594 2 2S -0.17991 0.02064 0.09715 0.18999 0.09134 3 2PX 0.01262 -0.01977 0.01764 -0.19936 -0.01974 4 2PY -0.18846 -0.05075 -0.00118 0.09629 -0.23843 5 2PZ 0.04496 0.03794 -0.16548 0.26822 0.07350 6 3S 0.37946 0.05698 -0.15468 -0.27868 -0.97573 7 3PX 0.09677 0.01579 -0.00233 0.05830 -0.66281 8 3PY 0.22958 0.14576 -0.03780 -0.19677 0.32660 9 3PZ -0.04087 0.00552 0.14510 -0.27129 -0.61402 10 4XX 0.01531 -0.00515 -0.00696 0.00157 -0.01362 11 4YY -0.04916 0.01491 0.01351 0.04496 0.06037 12 4ZZ 0.00329 -0.00252 0.02890 -0.01507 0.00266 13 4XY 0.00936 -0.00418 0.03011 -0.01831 -0.00516 14 4XZ -0.00370 0.00465 0.04123 -0.00959 0.03635 15 4YZ 0.00032 -0.00401 0.03193 0.00177 -0.00601 16 2 C 1S -0.00606 0.00087 0.00970 -0.00162 -0.04594 17 2S -0.17991 -0.02064 0.09715 0.18999 -0.09134 18 2PX 0.01262 0.01977 0.01764 -0.19936 0.01975 19 2PY 0.18845 -0.05074 0.00121 -0.09633 -0.23841 20 2PZ 0.04499 -0.03793 -0.16549 0.26821 -0.07354 21 3S 0.37945 -0.05698 -0.15468 -0.27867 0.97573 22 3PX 0.09677 -0.01579 -0.00234 0.05831 0.66281 23 3PY -0.22957 0.14576 0.03778 0.19681 0.32649 24 3PZ -0.04091 -0.00551 0.14510 -0.27126 0.61408 25 4XX 0.01531 0.00515 -0.00696 0.00157 0.01362 26 4YY -0.04916 -0.01491 0.01352 0.04496 -0.06037 27 4ZZ 0.00329 0.00251 0.02889 -0.01507 -0.00266 28 4XY -0.00936 -0.00417 -0.03012 0.01831 -0.00515 29 4XZ -0.00370 -0.00465 0.04122 -0.00959 -0.03635 30 4YZ -0.00033 -0.00401 -0.03194 -0.00176 -0.00602 31 3 C 1S 0.00900 -0.00573 -0.00059 0.00295 0.01425 32 2S -0.00222 0.04220 -0.05167 -0.00451 -0.08408 33 2PX 0.10644 0.08837 -0.06910 -0.10157 0.31257 34 2PY -0.03798 -0.07515 0.15445 0.08879 -0.03791 35 2PZ -0.12385 0.08029 -0.04274 0.04520 0.10966 36 3S -0.34157 -0.12849 0.16743 0.27600 -1.12945 37 3PX -0.14056 -0.16517 0.18600 0.04850 -0.10003 38 3PY 0.32856 0.13195 -0.27380 -0.41120 0.75570 39 3PZ 0.35719 0.01522 0.02021 -0.03818 0.21570 40 4XX 0.01346 0.00386 -0.02919 0.00063 0.00196 41 4YY 0.01940 -0.00485 0.05566 -0.00786 -0.01824 42 4ZZ -0.02599 0.00239 -0.03662 0.01730 -0.00644 43 4XY 0.00180 0.00195 0.00007 -0.01283 -0.00478 44 4XZ -0.01481 -0.00896 -0.00274 0.02603 -0.04072 45 4YZ 0.03559 0.01209 -0.01248 -0.01925 0.02385 46 4 C 1S 0.00316 0.00388 0.00068 0.00096 0.00265 47 2S -0.11648 -0.04276 -0.06186 0.09981 -0.11667 48 2PX 0.01444 0.10522 0.06429 -0.23210 0.04357 49 2PY -0.07442 0.07388 0.19290 -0.06802 -0.05802 50 2PZ 0.27277 0.11206 0.09828 -0.27092 0.16940 51 3S 0.15267 0.28498 -0.17601 -0.21722 0.56040 52 3PX 0.00047 0.04622 -0.11771 0.26118 -0.31136 53 3PY 0.04457 -0.15975 -0.25147 0.12014 -0.31014 54 3PZ -0.32959 -0.08425 -0.05941 0.35104 -0.42712 55 4XX 0.00287 -0.00995 0.02643 -0.03047 0.00338 56 4YY -0.00477 0.00935 -0.04677 0.02871 -0.00367 57 4ZZ -0.01540 0.00898 -0.00717 0.01714 0.00004 58 4XY -0.00626 -0.00236 0.02245 -0.01529 0.00001 59 4XZ -0.02149 0.00649 0.00206 -0.01423 0.01262 60 4YZ 0.00579 -0.00419 0.03313 0.01481 -0.00833 61 5 C 1S 0.00316 -0.00388 0.00068 0.00096 -0.00265 62 2S -0.11648 0.04277 -0.06186 0.09981 0.11667 63 2PX 0.01445 -0.10523 0.06428 -0.23210 -0.04357 64 2PY 0.07438 0.07391 -0.19291 0.06807 -0.05800 65 2PZ 0.27278 -0.11205 0.09824 -0.27090 -0.16942 66 3S 0.15267 -0.28498 -0.17602 -0.21721 -0.56041 67 3PX 0.00047 -0.04621 -0.11771 0.26119 0.31136 68 3PY -0.04452 -0.15978 0.25147 -0.12020 -0.31020 69 3PZ -0.32960 0.08423 -0.05936 0.35102 0.42707 70 4XX 0.00287 0.00994 0.02643 -0.03047 -0.00338 71 4YY -0.00476 -0.00935 -0.04676 0.02871 0.00367 72 4ZZ -0.01540 -0.00898 -0.00718 0.01714 -0.00004 73 4XY 0.00627 -0.00236 -0.02245 0.01529 0.00001 74 4XZ -0.02149 -0.00649 0.00206 -0.01423 -0.01262 75 4YZ -0.00579 -0.00419 -0.03314 -0.01480 -0.00833 76 6 C 1S 0.00900 0.00573 -0.00059 0.00295 -0.01425 77 2S -0.00222 -0.04220 -0.05167 -0.00451 0.08408 78 2PX 0.10644 -0.08836 -0.06910 -0.10157 -0.31257 79 2PY 0.03800 -0.07513 -0.15444 -0.08880 -0.03789 80 2PZ -0.12384 -0.08030 -0.04277 0.04519 -0.10967 81 3S -0.34157 0.12849 0.16743 0.27600 1.12945 82 3PX -0.14056 0.16517 0.18601 0.04849 0.10004 83 3PY -0.32862 0.13194 0.27380 0.41120 0.75574 84 3PZ 0.35713 -0.01520 0.02026 -0.03811 -0.21557 85 4XX 0.01346 -0.00386 -0.02919 0.00063 -0.00196 86 4YY 0.01941 0.00485 0.05565 -0.00787 0.01823 87 4ZZ -0.02600 -0.00239 -0.03662 0.01730 0.00645 88 4XY -0.00179 0.00195 -0.00007 0.01283 -0.00479 89 4XZ -0.01481 0.00896 -0.00274 0.02603 0.04072 90 4YZ -0.03558 0.01209 0.01250 0.01925 0.02385 91 7 H 1S -0.01074 0.01984 0.26219 -0.05718 0.16823 92 2S -0.04800 0.06549 -0.11991 0.01411 -0.20197 93 8 H 1S -0.01074 -0.01986 0.26219 -0.05718 -0.16823 94 2S -0.04800 -0.06548 -0.11992 0.01411 0.20197 95 9 H 1S 0.04054 -0.05754 0.26301 -0.01772 -0.11270 96 2S -0.13430 -0.00639 -0.08709 0.20366 -0.24333 97 10 H 1S -0.00184 -0.01441 0.15749 -0.13232 0.08359 98 2S -0.01814 -0.15945 0.00891 0.10856 0.22198 99 11 H 1S -0.00184 0.01440 0.15749 -0.13232 -0.08358 100 2S -0.01814 0.15945 0.00892 0.10855 -0.22198 101 12 H 1S 0.04054 0.05753 0.26301 -0.01772 0.11271 102 2S -0.13430 0.00640 -0.08709 0.20366 0.24333 103 13 H 1S 0.06271 0.00691 0.06192 0.05795 0.06038 104 2S -0.05191 -0.04576 -0.01776 -0.02803 0.01689 105 14 H 1S 0.06271 -0.00692 0.06192 0.05795 -0.06038 106 2S -0.05191 0.04576 -0.01776 -0.02803 -0.01689 107 15 C 1S -0.00944 -0.04597 -0.00661 -0.02133 0.01978 108 2S 0.01700 0.04464 -0.16620 0.00689 -0.08455 109 2PX 0.33505 -0.14721 -0.29037 0.00118 -0.43676 110 2PY -0.06249 0.18018 -0.13176 -0.18634 0.07034 111 2PZ -0.13090 0.03245 0.02834 0.07925 -0.05742 112 3S -0.14340 1.08407 0.00833 -0.13919 -0.12616 113 3PX -0.40212 0.68417 0.54105 0.14205 0.89787 114 3PY 0.19255 0.72425 0.38038 0.35563 -0.13514 115 3PZ 0.17637 0.27194 0.15225 -0.03099 0.07754 116 4XX -0.02496 0.00942 -0.00439 0.00147 0.01655 117 4YY 0.00107 -0.02169 -0.03088 -0.00931 -0.00731 118 4ZZ 0.00253 0.00996 0.01537 -0.00806 0.02194 119 4XY 0.02333 -0.01326 -0.04772 -0.00788 0.00656 120 4XZ -0.01118 -0.01144 -0.01525 -0.02017 0.02834 121 4YZ 0.02613 -0.01531 -0.00189 -0.00882 -0.00055 122 16 C 1S -0.00944 0.04597 -0.00661 -0.02133 -0.01978 123 2S 0.01700 -0.04463 -0.16620 0.00689 0.08456 124 2PX 0.33505 0.14722 -0.29036 0.00118 0.43675 125 2PY 0.06251 0.18018 0.13176 0.18632 0.07033 126 2PZ -0.13089 -0.03242 0.02836 0.07928 0.05743 127 3S -0.14340 -1.08407 0.00826 -0.13917 0.12615 128 3PX -0.40213 -0.68420 0.54102 0.14206 -0.89788 129 3PY -0.19258 0.72431 -0.38036 -0.35563 -0.13513 130 3PZ 0.17634 -0.27183 0.15217 -0.03104 -0.07756 131 4XX -0.02496 -0.00942 -0.00439 0.00147 -0.01655 132 4YY 0.00107 0.02170 -0.03088 -0.00931 0.00731 133 4ZZ 0.00252 -0.00997 0.01537 -0.00806 -0.02194 134 4XY -0.02333 -0.01326 0.04772 0.00788 0.00656 135 4XZ -0.01118 0.01143 -0.01525 -0.02017 -0.02834 136 4YZ -0.02613 -0.01530 0.00188 0.00882 -0.00054 137 17 C 1S -0.01514 0.00000 -0.00363 -0.02239 0.00000 138 2S 0.14615 0.00000 0.13375 0.25146 0.00000 139 2PX -0.06754 0.00000 -0.17582 -0.28112 0.00000 140 2PY 0.00004 -0.85348 0.00000 0.00003 0.25765 141 2PZ -0.45846 -0.00007 -0.22650 -0.30817 0.00002 142 3S -0.30178 0.00000 -0.23283 -0.34894 0.00000 143 3PX 0.11479 -0.00001 0.63415 0.66045 0.00000 144 3PY -0.00008 1.46684 -0.00002 -0.00009 -0.53812 145 3PZ 0.94780 0.00011 0.72884 0.94604 -0.00005 146 4XX 0.02772 0.00000 0.00798 0.01270 0.00000 147 4YY -0.03416 0.00001 -0.02558 -0.01960 0.00000 148 4ZZ -0.03183 -0.00001 0.00555 -0.02083 0.00000 149 4XY 0.00000 -0.04312 0.00000 0.00000 0.03034 150 4XZ 0.00054 0.00000 0.03059 0.01646 0.00000 151 4YZ 0.00000 -0.05049 0.00000 0.00000 0.02434 152 18 H 1S 0.09121 0.08755 0.00242 -0.12373 -0.04089 153 2S 0.08667 -0.39141 0.31274 0.18559 -0.03408 154 19 H 1S -0.16536 0.00000 -0.13072 -0.22985 0.00000 155 2S -0.22762 0.00000 -0.20071 -0.31329 0.00000 156 20 H 1S 0.09121 -0.08755 0.00242 -0.12373 0.04090 157 2S 0.08668 0.39140 0.31276 0.18558 0.03408 158 21 O 1S -0.00214 0.00737 0.00120 0.00434 -0.00342 159 2S -0.13984 -0.09617 -0.01295 -0.15654 0.07782 160 2PX 0.10179 -0.02723 -0.07680 0.02814 -0.10068 161 2PY -0.15662 -0.21101 -0.03977 -0.11662 0.14946 162 2PZ -0.08793 -0.05692 -0.03775 -0.04651 -0.04622 163 3S 0.61701 0.27750 0.08037 0.56872 -0.54585 164 3PX 0.00952 0.21854 0.05019 -0.01000 -0.04144 165 3PY 0.19744 0.01607 0.02207 0.15442 -0.09890 166 3PZ -0.12205 0.25868 0.06393 0.01249 0.02108 167 4XX -0.04010 -0.02058 -0.01285 -0.03972 -0.00342 168 4YY 0.00213 0.00017 0.02098 -0.00641 0.01381 169 4ZZ -0.04400 -0.01479 -0.01039 -0.04210 -0.00359 170 4XY -0.00353 0.05391 0.01830 0.01254 -0.00364 171 4XZ 0.03596 0.01610 -0.01296 0.02836 -0.05647 172 4YZ 0.00380 0.05931 0.02259 0.01780 0.00426 173 22 O 1S -0.00214 -0.00737 0.00120 0.00434 0.00342 174 2S -0.13984 0.09617 -0.01294 -0.15654 -0.07782 175 2PX 0.10179 0.02723 -0.07679 0.02813 0.10068 176 2PY 0.15664 -0.21102 0.03977 0.11663 0.14945 177 2PZ -0.08790 0.05689 -0.03774 -0.04649 0.04624 178 3S 0.61701 -0.27750 0.08035 0.56872 0.54585 179 3PX 0.00952 -0.21854 0.05017 -0.01000 0.04144 180 3PY -0.19742 0.01612 -0.02208 -0.15442 -0.09889 181 3PZ -0.12208 -0.25868 0.06391 0.01247 -0.02109 182 4XX -0.04010 0.02058 -0.01285 -0.03972 0.00342 183 4YY 0.00213 -0.00019 0.02099 -0.00640 -0.01381 184 4ZZ -0.04400 0.01481 -0.01039 -0.04211 0.00359 185 4XY 0.00352 0.05392 -0.01830 -0.01254 -0.00365 186 4XZ 0.03596 -0.01609 -0.01296 0.02836 0.05647 187 4YZ -0.00379 0.05931 -0.02258 -0.01779 0.00426 188 23 H 1S 0.06054 0.00000 -0.09371 -0.06885 0.00000 189 2S 0.03874 0.00000 -0.19608 -0.13656 0.00000 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S 0.02297 -0.01987 0.00852 -0.02372 0.02650 2 2S -0.06308 0.14436 0.12640 -0.22301 -0.02181 3 2PX -0.22302 -0.05258 -0.48239 0.08583 0.26954 4 2PY 0.28144 -0.11550 -0.06864 -0.17284 -0.07862 5 2PZ -0.12520 0.25480 0.26128 0.06420 -0.15252 6 3S -0.04686 -0.00759 -0.11504 0.67908 -0.29968 7 3PX 0.19927 0.31610 0.61772 0.09400 -0.61327 8 3PY -0.30222 -0.24881 0.23421 0.19763 -0.08378 9 3PZ 0.02636 0.02207 -0.09246 0.11239 -0.09996 10 4XX -0.01058 -0.00316 -0.01415 -0.02515 0.02656 11 4YY 0.02672 0.01809 0.00209 -0.04657 0.01844 12 4ZZ 0.00416 -0.00134 0.06271 0.00919 -0.02956 13 4XY -0.01575 0.00192 -0.02490 -0.01468 -0.01089 14 4XZ 0.01698 -0.01540 0.04334 -0.03473 0.01491 15 4YZ -0.02143 0.00097 0.02861 -0.02742 0.00042 16 2 C 1S 0.02297 0.01987 0.00852 -0.02372 -0.02650 17 2S -0.06308 -0.14436 0.12639 -0.22301 0.02181 18 2PX -0.22302 0.05259 -0.48239 0.08584 -0.26954 19 2PY -0.28143 -0.11546 0.06860 0.17282 -0.07864 20 2PZ -0.12525 -0.25483 0.26129 0.06421 0.15250 21 3S -0.04684 0.00756 -0.11504 0.67908 0.29969 22 3PX 0.19929 -0.31612 0.61772 0.09398 0.61327 23 3PY 0.30223 -0.24879 -0.23420 -0.19766 -0.08379 24 3PZ 0.02643 -0.02212 -0.09250 0.11235 0.09995 25 4XX -0.01057 0.00316 -0.01415 -0.02515 -0.02656 26 4YY 0.02671 -0.01809 0.00210 -0.04658 -0.01844 27 4ZZ 0.00416 0.00134 0.06270 0.00919 0.02956 28 4XY 0.01575 0.00192 0.02489 0.01469 -0.01089 29 4XZ 0.01698 0.01540 0.04334 -0.03473 -0.01491 30 4YZ 0.02143 0.00097 -0.02862 0.02741 0.00041 31 3 C 1S -0.04632 -0.03205 0.00299 0.02864 -0.00125 32 2S 0.00217 -0.03533 0.14763 -0.06679 0.05547 33 2PX 0.02266 0.01881 -0.15826 -0.19102 -0.12212 34 2PY -0.11245 -0.11476 -0.06945 -0.08339 0.01315 35 2PZ 0.00280 -0.12855 0.05821 0.22818 0.47156 36 3S -0.11876 -0.08068 -0.47104 -0.23631 -0.47045 37 3PX -0.30232 -0.45288 0.09814 0.42903 0.18797 38 3PY 0.07635 0.24747 0.41808 0.77737 0.26982 39 3PZ -0.12631 -0.32265 -0.05046 -0.09673 -0.60595 40 4XX 0.02318 0.01962 0.01649 0.03104 0.01821 41 4YY -0.03221 -0.03854 0.02960 -0.03257 -0.01886 42 4ZZ -0.04532 -0.03157 -0.02862 0.01866 0.00444 43 4XY -0.03577 -0.02177 0.02096 0.01419 0.02065 44 4XZ -0.06397 -0.05133 -0.02245 0.00526 -0.01099 45 4YZ 0.01035 0.03618 -0.02630 -0.01176 -0.01810 46 4 C 1S 0.01475 0.00271 0.00444 -0.00859 0.02528 47 2S -0.12541 -0.14552 -0.01706 -0.01993 -0.23406 48 2PX 0.00937 0.09582 0.16360 0.06160 0.07822 49 2PY -0.24634 0.04724 0.05457 0.33689 0.31951 50 2PZ 0.33537 0.38613 0.05338 0.02700 -0.01526 51 3S 0.33035 0.51277 0.01858 -0.10272 1.00038 52 3PX 0.05092 -0.20295 -0.29580 -0.19856 -0.18670 53 3PY 0.35149 0.01254 -0.17818 -0.64582 -0.75648 54 3PZ -0.39515 -1.03853 -0.28618 -0.19750 -0.11165 55 4XX -0.00545 0.01705 0.02315 0.03489 -0.03157 56 4YY 0.01432 -0.00224 -0.02671 -0.06353 0.03133 57 4ZZ -0.00033 -0.02032 0.00270 0.00943 0.00900 58 4XY -0.01813 -0.00334 0.01066 -0.00902 -0.00516 59 4XZ -0.00125 -0.00808 0.00998 -0.01345 0.02600 60 4YZ -0.00832 0.00058 0.00253 -0.04211 -0.01762 61 5 C 1S 0.01475 -0.00271 0.00444 -0.00859 -0.02528 62 2S -0.12541 0.14552 -0.01705 -0.01993 0.23406 63 2PX 0.00938 -0.09583 0.16360 0.06159 -0.07823 64 2PY 0.24628 0.04732 -0.05457 -0.33689 0.31951 65 2PZ 0.33541 -0.38613 0.05336 0.02693 0.01532 66 3S 0.33035 -0.51276 0.01856 -0.10274 -1.00038 67 3PX 0.05093 0.20297 -0.29579 -0.19855 0.18670 68 3PY -0.35143 0.01233 0.17822 0.64585 -0.75650 69 3PZ -0.39521 1.03854 -0.28613 -0.19734 0.11152 70 4XX -0.00545 -0.01705 0.02315 0.03489 0.03157 71 4YY 0.01432 0.00224 -0.02670 -0.06354 -0.03133 72 4ZZ -0.00033 0.02032 0.00270 0.00944 -0.00900 73 4XY 0.01813 -0.00334 -0.01066 0.00903 -0.00516 74 4XZ -0.00125 0.00808 0.00997 -0.01345 -0.02600 75 4YZ 0.00832 0.00058 -0.00254 0.04209 -0.01762 76 6 C 1S -0.04632 0.03205 0.00299 0.02864 0.00125 77 2S 0.00217 0.03533 0.14763 -0.06679 -0.05547 78 2PX 0.02266 -0.01880 -0.15826 -0.19102 0.12212 79 2PY 0.11245 -0.11478 0.06944 0.08334 0.01323 80 2PZ 0.00282 0.12852 0.05822 0.22820 -0.47155 81 3S -0.11873 0.08070 -0.47103 -0.23631 0.47045 82 3PX -0.30233 0.45285 0.09815 0.42905 -0.18797 83 3PY -0.07631 0.24745 -0.41806 -0.77734 0.26972 84 3PZ -0.12634 0.32270 -0.05052 -0.09684 0.60599 85 4XX 0.02318 -0.01962 0.01649 0.03104 -0.01820 86 4YY -0.03221 0.03853 0.02960 -0.03257 0.01887 87 4ZZ -0.04533 0.03158 -0.02861 0.01867 -0.00444 88 4XY 0.03578 -0.02178 -0.02096 -0.01419 0.02065 89 4XZ -0.06397 0.05133 -0.02246 0.00526 0.01099 90 4YZ -0.01035 0.03618 0.02631 0.01175 -0.01810 91 7 H 1S 0.01110 -0.04074 0.20332 -0.23023 0.06942 92 2S 0.00019 0.13972 0.08623 0.12277 -0.16897 93 8 H 1S 0.01109 0.04074 0.20332 -0.23023 -0.06942 94 2S 0.00020 -0.13973 0.08623 0.12276 0.16897 95 9 H 1S -0.23796 -0.16237 0.10862 -0.05961 -0.02499 96 2S 0.00854 -0.03247 -0.24776 -0.31271 -0.05903 97 10 H 1S -0.01265 0.06813 0.15691 0.00619 0.03312 98 2S -0.01758 0.01853 0.09268 0.12521 0.13494 99 11 H 1S -0.01266 -0.06813 0.15691 0.00619 -0.03312 100 2S -0.01759 -0.01854 0.09268 0.12521 -0.13494 101 12 H 1S -0.23796 0.16237 0.10862 -0.05960 0.02498 102 2S 0.00854 0.03249 -0.24776 -0.31271 0.05903 103 13 H 1S 0.02453 -0.02254 0.06166 0.03830 -0.04349 104 2S 0.03053 -0.10393 0.06992 0.06538 -0.16980 105 14 H 1S 0.02453 0.02254 0.06166 0.03830 0.04349 106 2S 0.03053 0.10393 0.06993 0.06538 0.16980 107 15 C 1S -0.00533 0.01846 0.01199 -0.00897 0.01499 108 2S -0.34790 0.22840 0.13637 -0.21675 -0.14387 109 2PX -0.10735 0.17634 0.12778 -0.03991 0.01433 110 2PY 0.06061 -0.33692 0.16183 0.06952 -0.23757 111 2PZ -0.12502 0.23661 -0.04715 -0.12707 0.11711 112 3S 0.64564 -0.66049 0.03055 0.46162 0.68294 113 3PX 0.26523 -0.53544 -0.14766 0.14144 -0.17576 114 3PY -0.16204 0.33528 -0.39303 -0.20992 0.76950 115 3PZ 0.19560 -0.51816 -0.00426 0.06523 0.15677 116 4XX 0.01625 -0.02777 0.02564 0.00534 -0.05020 117 4YY -0.03595 0.06435 0.03863 -0.01182 0.04352 118 4ZZ -0.01962 -0.00801 -0.02286 -0.02912 -0.00401 119 4XY -0.01725 0.00329 0.01258 -0.01358 -0.00558 120 4XZ -0.01730 -0.00245 0.01811 -0.01521 0.00563 121 4YZ -0.04666 0.00509 0.00047 -0.05779 0.00840 122 16 C 1S -0.00533 -0.01846 0.01199 -0.00897 -0.01499 123 2S -0.34790 -0.22840 0.13636 -0.21676 0.14386 124 2PX -0.10734 -0.17634 0.12777 -0.03991 -0.01434 125 2PY -0.06059 -0.33687 -0.16183 -0.06951 -0.23755 126 2PZ -0.12503 -0.23666 -0.04718 -0.12708 -0.11715 127 3S 0.64564 0.66048 0.03056 0.46165 -0.68293 128 3PX 0.26521 0.53544 -0.14764 0.14147 0.17577 129 3PY 0.16200 0.33518 0.39305 0.20991 0.76953 130 3PZ 0.19563 0.51821 -0.00419 0.06529 -0.15664 131 4XX 0.01625 0.02777 0.02565 0.00534 0.05020 132 4YY -0.03596 -0.06435 0.03863 -0.01184 -0.04352 133 4ZZ -0.01961 0.00802 -0.02286 -0.02910 0.00401 134 4XY 0.01725 0.00329 -0.01259 0.01358 -0.00558 135 4XZ -0.01730 0.00245 0.01811 -0.01520 -0.00563 136 4YZ 0.04666 0.00508 -0.00045 0.05780 0.00839 137 17 C 1S 0.00672 0.00000 0.00311 0.00174 0.00000 138 2S -0.03542 0.00000 -0.00718 -0.03273 0.00000 139 2PX -0.08769 0.00000 0.02110 0.02759 0.00000 140 2PY 0.00001 0.04604 -0.00001 0.00001 0.00713 141 2PZ -0.04551 0.00001 0.08460 -0.12307 0.00000 142 3S -0.01864 0.00000 -0.07418 0.07526 0.00000 143 3PX 0.46549 0.00000 -0.14449 0.05273 0.00000 144 3PY -0.00003 -0.09956 0.00003 -0.00005 -0.07582 145 3PZ 0.29339 -0.00001 -0.34189 0.51990 0.00000 146 4XX 0.00060 0.00000 -0.01688 0.00841 0.00000 147 4YY -0.00665 0.00000 0.01210 0.01986 0.00000 148 4ZZ 0.00259 0.00000 0.01034 -0.02784 0.00000 149 4XY 0.00000 -0.02055 0.00000 0.00000 -0.01142 150 4XZ 0.03118 0.00000 -0.01176 0.03020 0.00000 151 4YZ 0.00000 -0.00655 0.00000 0.00000 0.00525 152 18 H 1S -0.17118 -0.09522 0.00263 -0.28336 -0.20249 153 2S 0.04863 0.04654 -0.18007 0.01021 -0.24492 154 19 H 1S -0.08734 0.00000 0.10551 -0.19891 0.00000 155 2S -0.05846 0.00000 0.14882 -0.19904 0.00000 156 20 H 1S -0.17118 0.09523 0.00264 -0.28336 0.20249 157 2S 0.04863 -0.04654 -0.18007 0.01021 0.24492 158 21 O 1S 0.00312 -0.00518 0.00036 0.00267 -0.00252 159 2S -0.02575 0.02868 0.01996 -0.06318 0.05441 160 2PX -0.05919 0.07569 -0.00534 0.03002 0.01939 161 2PY 0.10318 -0.09279 0.03116 0.13873 -0.02635 162 2PZ -0.03142 0.05434 0.04678 -0.04790 -0.04087 163 3S -0.12434 0.39300 -0.09158 0.00189 -0.03974 164 3PX 0.10640 -0.16421 0.02295 0.05357 -0.02376 165 3PY -0.01757 0.07622 0.03010 -0.02714 -0.03783 166 3PZ 0.10300 -0.11047 0.00078 0.02975 -0.03688 167 4XX -0.03161 0.04999 -0.00150 -0.03264 0.03822 168 4YY -0.00103 -0.00502 0.00501 -0.02291 0.00362 169 4ZZ -0.00323 0.00951 0.00513 -0.01440 0.00613 170 4XY 0.01987 -0.01736 0.00224 0.02095 0.00113 171 4XZ -0.03223 0.05519 0.00745 -0.01456 0.01013 172 4YZ 0.00810 -0.01179 -0.00721 0.00976 0.00319 173 22 O 1S 0.00312 0.00518 0.00036 0.00267 0.00252 174 2S -0.02575 -0.02868 0.01996 -0.06318 -0.05441 175 2PX -0.05918 -0.07569 -0.00534 0.03001 -0.01939 176 2PY -0.10318 -0.09278 -0.03117 -0.13872 -0.02635 177 2PZ -0.03144 -0.05435 0.04677 -0.04793 0.04086 178 3S -0.12432 -0.39300 -0.09159 0.00187 0.03974 179 3PX 0.10640 0.16420 0.02295 0.05357 0.02377 180 3PY 0.01755 0.07620 -0.03010 0.02714 -0.03783 181 3PZ 0.10300 0.11048 0.00078 0.02976 0.03687 182 4XX -0.03161 -0.04999 -0.00150 -0.03264 -0.03822 183 4YY -0.00103 0.00503 0.00501 -0.02291 -0.00362 184 4ZZ -0.00324 -0.00952 0.00513 -0.01441 -0.00613 185 4XY -0.01986 -0.01735 -0.00224 -0.02095 0.00114 186 4XZ -0.03223 -0.05520 0.00745 -0.01457 -0.01013 187 4YZ -0.00810 -0.01179 0.00721 -0.00977 0.00319 188 23 H 1S -0.08722 0.00000 -0.00111 -0.02243 0.00000 189 2S -0.20517 0.00000 0.09487 -0.00104 0.00000 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S -0.04388 0.04067 -0.02179 -0.00066 -0.02249 2 2S 0.18409 0.01598 -0.19130 0.03950 0.11325 3 2PX 0.42792 0.01924 -0.02952 -0.14865 -0.36930 4 2PY 0.24117 -0.19983 -0.19004 0.00904 0.10195 5 2PZ -0.16976 0.06714 0.12716 0.11302 0.23455 6 3S -0.68019 0.05610 -0.49770 0.33061 -0.36037 7 3PX -0.68472 -0.01981 -0.17982 0.43529 0.95771 8 3PY -0.61402 -0.00945 0.28709 -0.07999 -0.15889 9 3PZ 0.27649 -0.18085 -0.44491 -0.17988 -0.40899 10 4XX 0.01811 0.00021 -0.01718 -0.00204 0.00082 11 4YY -0.05570 0.03386 -0.03660 0.00921 -0.01785 12 4ZZ -0.00472 0.01635 -0.01255 0.00318 0.01676 13 4XY 0.00623 0.00961 0.05108 -0.03837 0.00901 14 4XZ -0.04063 0.04481 -0.05956 0.00282 -0.01294 15 4YZ 0.01271 0.00701 0.03755 -0.01357 0.00663 16 2 C 1S 0.04388 -0.04067 -0.02179 -0.00066 0.02249 17 2S -0.18409 -0.01599 -0.19129 0.03950 -0.11324 18 2PX -0.42792 -0.01924 -0.02952 -0.14865 0.36930 19 2PY 0.24114 -0.19981 0.19003 -0.00906 0.10200 20 2PZ 0.16980 -0.06718 0.12720 0.11301 -0.23452 21 3S 0.68019 -0.05610 -0.49770 0.33061 0.36035 22 3PX 0.68473 0.01981 -0.17982 0.43527 -0.95772 23 3PY -0.61398 -0.00948 -0.28701 0.08002 -0.15897 24 3PZ -0.27659 0.18084 -0.44495 -0.17986 0.40895 25 4XX -0.01811 -0.00021 -0.01718 -0.00204 -0.00082 26 4YY 0.05569 -0.03386 -0.03659 0.00921 0.01785 27 4ZZ 0.00472 -0.01635 -0.01256 0.00319 -0.01676 28 4XY 0.00623 0.00961 -0.05107 0.03837 0.00900 29 4XZ 0.04063 -0.04481 -0.05957 0.00283 0.01294 30 4YZ 0.01272 0.00701 -0.03756 0.01357 0.00663 31 3 C 1S -0.01596 -0.00039 0.01539 0.00177 0.01016 32 2S 0.13197 -0.19974 -0.31506 -0.15357 0.06522 33 2PX -0.20699 0.02792 0.22042 0.27940 -0.33084 34 2PY -0.09174 0.22000 0.38879 -0.10194 0.03100 35 2PZ -0.16105 0.02607 0.03770 -0.57864 0.07853 36 3S -0.52194 0.56575 0.75165 0.51805 0.17620 37 3PX -0.05441 -0.06070 -0.79417 -0.18682 0.62109 38 3PY 0.31355 -0.59588 -0.95240 0.28763 -0.04449 39 3PZ 0.20152 -0.12259 -0.14169 1.37133 -0.13367 40 4XX 0.03423 -0.01574 -0.00044 0.00462 -0.00739 41 4YY -0.02155 -0.01495 0.02482 -0.04485 -0.00826 42 4ZZ -0.01795 0.02117 -0.01898 0.02188 0.03448 43 4XY -0.01044 -0.01117 -0.00613 -0.01329 0.01578 44 4XZ -0.03370 -0.00780 0.01102 0.00163 0.00902 45 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00453 46 4 C 1S -0.01275 -0.02763 0.00405 -0.02146 -0.00407 47 2S 0.06145 0.31579 -0.10742 0.11659 0.02068 48 2PX 0.07094 0.01414 -0.09426 -0.04718 0.06432 49 2PY -0.29712 -0.45349 -0.08288 0.29162 0.06677 50 2PZ 0.11984 -0.24328 -0.14120 -0.10989 -0.12069 51 3S -0.24950 -1.09484 0.30105 -0.91074 0.10598 52 3PX -0.11575 0.11575 0.30568 0.18953 -0.20497 53 3PY 0.62686 1.47124 0.38937 -0.66663 -0.24688 54 3PZ -0.33517 0.97885 0.40940 0.37645 0.37408 55 4XX 0.01801 0.00982 -0.02296 0.03434 -0.00570 56 4YY -0.02989 -0.03741 0.01019 -0.01433 0.00687 57 4ZZ 0.00503 0.02596 0.00647 -0.04539 -0.00191 58 4XY -0.00144 -0.00092 -0.01801 0.02752 0.00017 59 4XZ -0.00003 0.01834 -0.01213 -0.00581 0.00855 60 4YZ 0.00861 0.00200 0.06661 -0.00363 -0.00240 61 5 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00407 62 2S -0.06145 -0.31579 -0.10742 0.11659 -0.02068 63 2PX -0.07094 -0.01414 -0.09426 -0.04718 -0.06432 64 2PY -0.29710 -0.45353 0.08291 -0.29160 0.06676 65 2PZ -0.11989 0.24320 -0.14119 -0.10993 0.12071 66 3S 0.24949 1.09484 0.30104 -0.91074 -0.10596 67 3PX 0.11575 -0.11575 0.30569 0.18953 0.20497 68 3PY 0.62680 1.47141 -0.38945 0.66656 -0.24683 69 3PZ 0.33527 -0.97860 0.40934 0.37656 -0.37415 70 4XX -0.01801 -0.00982 -0.02296 0.03434 0.00570 71 4YY 0.02989 0.03741 0.01021 -0.01434 -0.00687 72 4ZZ -0.00502 -0.02596 0.00645 -0.04539 0.00191 73 4XY -0.00144 -0.00092 0.01801 -0.02752 0.00017 74 4XZ 0.00003 -0.01834 -0.01213 -0.00582 -0.00855 75 4YZ 0.00862 0.00201 -0.06661 0.00364 -0.00240 76 6 C 1S 0.01596 0.00039 0.01539 0.00177 -0.01016 77 2S -0.13196 0.19974 -0.31506 -0.15357 -0.06521 78 2PX 0.20700 -0.02791 0.22041 0.27941 0.33085 79 2PY -0.09176 0.22001 -0.38880 0.10203 0.03102 80 2PZ 0.16104 -0.02603 0.03763 -0.57863 -0.07851 81 3S 0.52193 -0.56575 0.75166 0.51805 -0.17621 82 3PX 0.05441 0.06070 -0.79417 -0.18682 -0.62112 83 3PY 0.31357 -0.59590 0.95243 -0.28786 -0.04452 84 3PZ -0.20146 0.12249 -0.14153 1.37128 0.13362 85 4XX -0.03423 0.01574 -0.00044 0.00462 0.00739 86 4YY 0.02156 0.01496 0.02483 -0.04486 0.00827 87 4ZZ 0.01794 -0.02117 -0.01898 0.02188 -0.03448 88 4XY -0.01045 -0.01117 0.00613 0.01329 0.01578 89 4XZ 0.03370 0.00780 0.01102 0.00163 -0.00902 90 4YZ -0.02063 -0.02492 -0.01127 0.01102 -0.00452 91 7 H 1S -0.15104 0.17450 -0.03546 -0.04069 -0.03721 92 2S -0.04250 -0.24949 -0.17671 0.10211 0.11779 93 8 H 1S 0.15104 -0.17450 -0.03546 -0.04069 0.03720 94 2S 0.04250 0.24949 -0.17670 0.10211 -0.11779 95 9 H 1S -0.14274 -0.13516 0.05768 -0.09197 -0.02553 96 2S 0.00297 0.13458 0.31161 -0.05808 0.02091 97 10 H 1S -0.02428 -0.14085 -0.07612 0.01295 -0.05509 98 2S -0.07960 -0.35715 -0.19637 -0.08561 0.07312 99 11 H 1S 0.02428 0.14085 -0.07612 0.01295 0.05509 100 2S 0.07960 0.35715 -0.19638 -0.08561 -0.07312 101 12 H 1S 0.14274 0.13516 0.05768 -0.09197 0.02553 102 2S -0.00298 -0.13458 0.31161 -0.05808 -0.02092 103 13 H 1S 0.02150 0.19715 0.07256 -0.18927 -0.00229 104 2S 0.05709 0.36652 -0.28896 0.09130 0.09155 105 14 H 1S -0.02150 -0.19715 0.07256 -0.18927 0.00229 106 2S -0.05709 -0.36652 -0.28896 0.09130 -0.09154 107 15 C 1S 0.00159 0.01345 0.00636 -0.01662 -0.00627 108 2S -0.09429 -0.02709 -0.16149 -0.11922 -0.33761 109 2PX -0.29347 0.08911 0.01239 -0.09403 -0.31930 110 2PY -0.09449 -0.20691 0.16816 0.02574 -0.38109 111 2PZ 0.10987 0.05380 -0.22055 0.06931 -0.00959 112 3S 0.51543 0.34678 0.49818 0.50493 1.87008 113 3PX 0.68339 -0.25199 0.15936 0.02826 1.00546 114 3PY 0.32299 0.69189 -0.37796 -0.19784 1.04112 115 3PZ -0.05501 0.03166 0.45949 0.00726 0.60732 116 4XX -0.01615 -0.03512 0.03097 -0.02273 -0.01323 117 4YY 0.01973 0.03974 0.00460 -0.01106 0.05511 118 4ZZ 0.00312 0.00451 -0.03594 0.00305 -0.02735 119 4XY -0.00430 -0.00343 -0.03107 -0.02836 -0.01761 120 4XZ 0.00650 -0.00723 0.00863 -0.00056 0.00376 121 4YZ -0.00048 0.00722 0.00739 -0.00892 -0.00474 122 16 C 1S -0.00159 -0.01345 0.00636 -0.01662 0.00627 123 2S 0.09429 0.02709 -0.16149 -0.11922 0.33761 124 2PX 0.29347 -0.08911 0.01238 -0.09402 0.31930 125 2PY -0.09447 -0.20690 -0.16813 -0.02575 -0.38109 126 2PZ -0.10989 -0.05384 -0.22058 0.06930 0.00953 127 3S -0.51542 -0.34677 0.49818 0.50493 -1.87008 128 3PX -0.68339 0.25199 0.15936 0.02826 -1.00545 129 3PY 0.32299 0.69189 0.37789 0.19784 1.04122 130 3PZ 0.05506 -0.03155 0.45955 0.00730 -0.60715 131 4XX 0.01615 0.03512 0.03097 -0.02273 0.01323 132 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05510 133 4ZZ -0.00312 -0.00450 -0.03595 0.00306 0.02735 134 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01761 135 4XZ -0.00650 0.00722 0.00863 -0.00055 -0.00376 136 4YZ -0.00048 0.00722 -0.00738 0.00892 -0.00475 137 17 C 1S 0.00000 0.00000 -0.00782 -0.00062 0.00000 138 2S 0.00000 0.00000 -0.02791 0.03203 0.00000 139 2PX 0.00000 0.00000 -0.14211 0.04270 0.00000 140 2PY -0.00690 -0.11718 -0.00002 0.00000 0.00318 141 2PZ 0.00000 -0.00001 0.19919 -0.00971 0.00000 142 3S 0.00000 0.00000 0.07493 -0.03200 0.00001 143 3PX 0.00000 0.00000 0.55984 -0.11932 0.00000 144 3PY 0.02808 0.23172 0.00003 -0.00001 0.09579 145 3PZ 0.00000 0.00002 -0.30149 0.09413 0.00001 146 4XX 0.00000 0.00000 -0.01675 0.00899 0.00000 147 4YY 0.00000 0.00000 0.00982 0.02204 0.00000 148 4ZZ 0.00000 0.00000 0.00294 -0.01697 0.00000 149 4XY 0.01311 -0.01827 0.00000 0.00000 0.02576 150 4XZ 0.00000 0.00000 0.03374 0.01119 0.00000 151 4YZ 0.00173 -0.01544 0.00000 0.00000 0.01047 152 18 H 1S -0.02606 -0.17400 0.04814 -0.06173 0.07846 153 2S -0.06710 -0.13584 0.01432 -0.06302 -0.39541 154 19 H 1S 0.00000 0.00000 -0.08968 -0.09415 0.00000 155 2S 0.00000 0.00000 0.25221 0.00829 0.00000 156 20 H 1S 0.02606 0.17400 0.04814 -0.06173 -0.07846 157 2S 0.06710 0.13584 0.01432 -0.06302 0.39540 158 21 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 159 2S 0.03358 0.00152 -0.02277 0.00866 0.04023 160 2PX -0.05318 0.09552 -0.18945 -0.02535 -0.09268 161 2PY 0.02602 -0.10268 0.10303 0.06966 0.07016 162 2PZ 0.00894 -0.10323 0.08251 0.01071 0.05270 163 3S -0.25039 0.25315 -0.28643 -0.18804 -0.61527 164 3PX 0.04273 -0.08568 0.22129 0.10744 0.24801 165 3PY -0.05043 0.05917 -0.07821 -0.06090 -0.16549 166 3PZ 0.06206 0.02945 0.03328 0.01417 0.09694 167 4XX 0.00802 0.02370 -0.04356 0.00605 0.00328 168 4YY 0.00428 -0.01188 -0.00048 -0.00066 -0.00727 169 4ZZ 0.00240 0.00409 0.00701 0.00571 0.02206 170 4XY 0.00576 0.00622 0.00990 0.00274 0.02694 171 4XZ -0.01986 0.01618 -0.02283 -0.00369 -0.03066 172 4YZ 0.02323 0.00583 0.00950 0.01710 0.04015 173 22 O 1S -0.00051 0.00501 0.00675 0.00640 -0.00806 174 2S -0.03358 -0.00152 -0.02277 0.00866 -0.04023 175 2PX 0.05318 -0.09552 -0.18945 -0.02535 0.09267 176 2PY 0.02601 -0.10269 -0.10305 -0.06966 0.07017 177 2PZ -0.00894 0.10321 0.08249 0.01070 -0.05269 178 3S 0.25038 -0.25315 -0.28643 -0.18803 0.61527 179 3PX -0.04273 0.08568 0.22129 0.10744 -0.24800 180 3PY -0.05042 0.05918 0.07820 0.06090 -0.16548 181 3PZ -0.06207 -0.02943 0.03330 0.01418 -0.09696 182 4XX -0.00802 -0.02370 -0.04356 0.00605 -0.00328 183 4YY -0.00429 0.01188 -0.00048 -0.00065 0.00725 184 4ZZ -0.00239 -0.00409 0.00701 0.00570 -0.02205 185 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02694 186 4XZ 0.01986 -0.01618 -0.02284 -0.00369 0.03067 187 4YZ 0.02322 0.00584 -0.00950 -0.01711 0.04016 188 23 H 1S 0.00000 0.00000 -0.21831 -0.02974 0.00000 189 2S 0.00000 0.00000 -0.28164 0.08683 0.00000 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79574 0.79877 0.81071 1 1 C 1S 0.02616 0.00436 0.01006 0.00283 0.00895 2 2S -0.18320 -0.00523 0.02152 0.10199 -0.01147 3 2PX 0.00046 -0.01296 0.15216 0.00873 0.07123 4 2PY 0.17752 0.09381 0.07404 0.41298 0.05478 5 2PZ -0.20907 -0.05866 -0.01438 -0.05190 0.00640 6 3S 0.63270 0.79554 -0.00509 -1.19713 0.04455 7 3PX 0.02018 0.23338 -0.20505 -0.73922 -0.09469 8 3PY -0.45081 -0.33679 -0.08839 -0.93606 -0.05499 9 3PZ 0.28726 0.28207 -0.06424 -0.46171 -0.08856 10 4XX 0.01613 0.00731 0.01224 0.02296 -0.00285 11 4YY 0.00610 0.01564 -0.00026 -0.05608 -0.00166 12 4ZZ -0.01693 -0.00735 -0.00271 0.02453 0.01069 13 4XY 0.00134 -0.03610 0.02547 -0.00658 0.01308 14 4XZ 0.03203 0.01443 0.02363 0.01563 0.01707 15 4YZ -0.01577 -0.05232 0.02053 -0.01726 0.01246 16 2 C 1S 0.02616 0.00436 0.01006 -0.00283 0.00895 17 2S -0.18321 -0.00523 0.02152 -0.10198 -0.01147 18 2PX 0.00047 -0.01297 0.15216 -0.00872 0.07123 19 2PY -0.17747 -0.09381 -0.07404 0.41297 -0.05478 20 2PZ -0.20911 -0.05868 -0.01439 0.05197 0.00639 21 3S 0.63273 0.79554 -0.00513 1.19713 0.04455 22 3PX 0.02016 0.23338 -0.20507 0.73922 -0.09470 23 3PY 0.45076 0.33675 0.08842 -0.93614 0.05500 24 3PZ 0.28736 0.28213 -0.06424 0.46155 -0.08854 25 4XX 0.01613 0.00731 0.01224 -0.02296 -0.00285 26 4YY 0.00610 0.01562 -0.00026 0.05608 -0.00166 27 4ZZ -0.01693 -0.00734 -0.00271 -0.02453 0.01069 28 4XY -0.00135 0.03610 -0.02547 -0.00657 -0.01309 29 4XZ 0.03203 0.01443 0.02362 -0.01563 0.01706 30 4YZ 0.01577 0.05232 -0.02053 -0.01725 -0.01246 31 3 C 1S -0.00365 0.00521 -0.00441 0.01244 -0.00370 32 2S -0.17610 0.08622 0.11668 -0.14773 -0.00298 33 2PX -0.41640 -0.21901 0.10504 0.33530 0.05451 34 2PY 0.22953 -0.15289 -0.07233 -0.01574 -0.06702 35 2PZ -0.27851 -0.08733 -0.02445 -0.12342 -0.05971 36 3S 0.19692 -0.49476 0.00106 -0.06488 0.16034 37 3PX 0.69245 0.69066 -0.20520 -0.06783 -0.08311 38 3PY -0.47352 0.59500 -0.02733 0.41735 0.08708 39 3PZ 0.77542 0.49084 0.10573 0.62848 0.13180 40 4XX -0.02387 0.01241 -0.01283 -0.01377 0.00265 41 4YY -0.00045 -0.00932 0.02460 -0.03469 0.00566 42 4ZZ -0.00089 -0.00542 -0.00010 0.03135 -0.01210 43 4XY -0.03314 -0.02530 0.01055 0.02774 -0.00227 44 4XZ -0.03611 0.00903 0.00063 -0.01366 0.00640 45 4YZ -0.01606 -0.00938 0.00112 0.00121 0.00263 46 4 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 47 2S -0.07859 -0.05336 0.08783 0.05463 0.13045 48 2PX 0.00152 0.01255 -0.00148 0.02168 0.23540 49 2PY 0.08160 0.14041 -0.03157 0.15122 0.02876 50 2PZ -0.19748 -0.00078 0.01151 -0.04065 -0.00154 51 3S -0.21577 -0.31086 -0.24838 0.06215 -0.33454 52 3PX 0.06513 -0.22157 0.12722 -0.26960 -0.25671 53 3PY -0.03256 -0.42754 -0.07810 -0.90934 -0.14261 54 3PZ 0.70986 0.01463 -0.13318 0.16204 -0.05214 55 4XX -0.00972 0.01234 0.01486 0.03258 -0.00051 56 4YY -0.00113 -0.03899 -0.00645 0.01822 0.00514 57 4ZZ -0.02405 0.00856 0.01125 -0.04477 0.01804 58 4XY -0.00158 0.01418 -0.05776 0.01104 -0.06494 59 4XZ -0.01089 -0.03287 -0.02160 0.05817 -0.03927 60 4YZ 0.06528 -0.02028 0.01702 -0.00414 0.01558 61 5 C 1S -0.01431 -0.00145 0.01023 0.00338 0.00161 62 2S -0.07859 -0.05336 0.08783 -0.05462 0.13045 63 2PX 0.00151 0.01255 -0.00148 -0.02168 0.23539 64 2PY -0.08157 -0.14041 0.03157 0.15121 -0.02877 65 2PZ -0.19749 -0.00080 0.01151 0.04067 -0.00155 66 3S -0.21577 -0.31086 -0.24838 -0.06217 -0.33454 67 3PX 0.06516 -0.22157 0.12721 0.26961 -0.25670 68 3PY 0.03243 0.42754 0.07815 -0.90931 0.14264 69 3PZ 0.70986 0.01470 -0.13317 -0.16220 -0.05211 70 4XX -0.00972 0.01234 0.01486 -0.03258 -0.00051 71 4YY -0.00111 -0.03900 -0.00645 -0.01822 0.00515 72 4ZZ -0.02407 0.00856 0.01125 0.04477 0.01804 73 4XY 0.00158 -0.01417 0.05777 0.01105 0.06495 74 4XZ -0.01089 -0.03288 -0.02159 -0.05817 -0.03926 75 4YZ -0.06527 0.02027 -0.01702 -0.00415 -0.01558 76 6 C 1S -0.00365 0.00521 -0.00441 -0.01244 -0.00370 77 2S -0.17610 0.08622 0.11668 0.14774 -0.00298 78 2PX -0.41639 -0.21901 0.10504 -0.33530 0.05451 79 2PY -0.22948 0.15290 0.07234 -0.01575 0.06703 80 2PZ -0.27855 -0.08731 -0.02444 0.12341 -0.05970 81 3S 0.19693 -0.49476 0.00105 0.06488 0.16035 82 3PX 0.69242 0.69065 -0.20520 0.06782 -0.08312 83 3PY 0.47340 -0.59509 0.02730 0.41744 -0.08710 84 3PZ 0.77550 0.49074 0.10575 -0.62840 0.13180 85 4XX -0.02387 0.01241 -0.01283 0.01377 0.00265 86 4YY -0.00046 -0.00932 0.02460 0.03469 0.00566 87 4ZZ -0.00088 -0.00541 -0.00009 -0.03135 -0.01210 88 4XY 0.03315 0.02530 -0.01055 0.02774 0.00227 89 4XZ -0.03610 0.00903 0.00063 0.01367 0.00640 90 4YZ 0.01606 0.00938 -0.00111 0.00122 -0.00263 91 7 H 1S 0.18825 -0.11639 0.15091 -0.07365 0.09846 92 2S -0.12497 0.15301 -0.24620 -0.49968 -0.18190 93 8 H 1S 0.18826 -0.11639 0.15091 0.07365 0.09846 94 2S -0.12497 0.15301 -0.24621 0.49968 -0.18190 95 9 H 1S -0.07059 -0.02058 0.08796 0.06263 0.03392 96 2S 0.19748 -0.22028 -0.03812 -0.13042 -0.09563 97 10 H 1S -0.13397 -0.00809 -0.02897 0.24520 -0.17432 98 2S -0.19848 0.24924 0.11655 0.14626 0.40895 99 11 H 1S -0.13397 -0.00809 -0.02897 -0.24520 -0.17432 100 2S -0.19849 0.24925 0.11655 -0.14626 0.40894 101 12 H 1S -0.07059 -0.02058 0.08796 -0.06262 0.03392 102 2S 0.19748 -0.22028 -0.03813 0.13041 -0.09563 103 13 H 1S -0.04967 0.00852 0.28231 0.21552 0.26245 104 2S -0.31910 -0.06022 -0.05673 -0.23109 -0.26256 105 14 H 1S -0.04967 0.00852 0.28231 -0.21551 0.26245 106 2S -0.31910 -0.06022 -0.05673 0.23109 -0.26256 107 15 C 1S 0.00559 0.01482 0.00121 0.00873 -0.00526 108 2S -0.00652 -0.01716 0.27398 -0.08448 0.14427 109 2PX 0.28094 0.13342 0.14392 0.02135 0.03750 110 2PY 0.05704 -0.10271 0.08560 -0.32554 -0.01261 111 2PZ -0.11522 -0.16825 0.21078 -0.30752 0.05134 112 3S -0.21035 -0.44552 -0.11559 0.86626 -0.18032 113 3PX -0.33027 -0.19937 -0.32621 0.36680 -0.11972 114 3PY -0.05342 0.51313 -0.27735 1.44323 0.02879 115 3PZ -0.00366 0.29682 -0.38705 0.97837 -0.01424 116 4XX 0.00319 0.00246 -0.01607 -0.01520 0.01443 117 4YY 0.00802 -0.02456 0.04110 0.05819 0.01680 118 4ZZ -0.02586 0.03922 -0.00116 -0.00836 -0.02627 119 4XY 0.01244 0.03727 -0.04761 -0.00417 -0.00168 120 4XZ -0.03422 0.04487 0.02648 -0.01005 0.01016 121 4YZ -0.04436 0.01520 -0.05743 -0.00393 -0.01678 122 16 C 1S 0.00559 0.01482 0.00121 -0.00873 -0.00526 123 2S -0.00650 -0.01716 0.27397 0.08448 0.14427 124 2PX 0.28095 0.13342 0.14392 -0.02135 0.03750 125 2PY -0.05703 0.10274 -0.08562 -0.32559 0.01260 126 2PZ -0.11522 -0.16823 0.21076 0.30747 0.05134 127 3S -0.21043 -0.44553 -0.11556 -0.86626 -0.18032 128 3PX -0.33031 -0.19938 -0.32619 -0.36681 -0.11972 129 3PY 0.05348 -0.51318 0.27737 1.44340 -0.02879 130 3PZ -0.00369 0.29673 -0.38697 -0.97814 -0.01426 131 4XX 0.00319 0.00246 -0.01607 0.01520 0.01443 132 4YY 0.00801 -0.02456 0.04109 -0.05818 0.01680 133 4ZZ -0.02585 0.03921 -0.00115 0.00836 -0.02627 134 4XY -0.01244 -0.03728 0.04760 -0.00417 0.00168 135 4XZ -0.03422 0.04486 0.02648 0.01005 0.01016 136 4YZ 0.04436 -0.01522 0.05744 -0.00394 0.01679 137 17 C 1S 0.01846 -0.04871 -0.04321 0.00000 -0.00668 138 2S 0.14077 -0.18593 0.30357 0.00000 0.08023 139 2PX -0.00282 -0.23809 0.30686 0.00000 -0.52062 140 2PY 0.00000 -0.00002 0.00001 -0.03512 -0.00005 141 2PZ -0.03260 0.29846 -0.13186 0.00000 0.54409 142 3S -0.29020 0.54546 -0.33315 0.00000 -0.08139 143 3PX -0.17796 1.11621 -0.90256 -0.00001 0.97903 144 3PY 0.00002 0.00005 -0.00001 0.07330 0.00010 145 3PZ -0.18594 -0.59062 0.07612 0.00001 -1.15779 146 4XX -0.00503 -0.09614 -0.12721 0.00000 0.12257 147 4YY 0.04203 -0.04458 0.11340 0.00000 0.02799 148 4ZZ 0.01960 0.04281 0.01560 0.00000 -0.14221 149 4XY 0.00000 0.00000 0.00000 0.00191 0.00000 150 4XZ -0.01850 0.03491 -0.02843 0.00000 -0.01309 151 4YZ 0.00000 -0.00001 0.00001 -0.00208 0.00002 152 18 H 1S -0.17332 0.27518 -0.17709 0.01099 -0.05898 153 2S 0.20576 0.17701 -0.06810 -0.86376 0.13322 154 19 H 1S 0.17114 -0.09015 -0.07281 0.00000 -0.56959 155 2S 0.10694 0.21438 -0.18145 0.00000 1.38319 156 20 H 1S -0.17333 0.27518 -0.17709 -0.01100 -0.05898 157 2S 0.20578 0.17701 -0.06813 0.86376 0.13322 158 21 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00368 159 2S 0.03329 -0.20400 -0.12842 -0.00831 -0.03427 160 2PX 0.11621 -0.16474 -0.11460 0.09442 0.05647 161 2PY 0.05487 -0.07712 0.16282 -0.01582 0.03952 162 2PZ 0.04614 -0.10425 -0.05923 -0.13498 -0.09399 163 3S 0.08747 0.47808 0.21388 -0.13069 0.07251 164 3PX -0.14076 -0.04391 0.13156 -0.04623 -0.14504 165 3PY -0.01055 0.00141 -0.14884 -0.08606 -0.04981 166 3PZ -0.08617 0.10602 0.00517 0.07980 0.17218 167 4XX 0.02038 -0.04573 0.02149 -0.00029 -0.03047 168 4YY -0.00069 -0.05651 -0.09100 -0.03292 -0.02238 169 4ZZ 0.01124 -0.08586 -0.03367 0.01159 0.03294 170 4XY 0.01726 -0.00915 0.03645 0.03033 -0.03029 171 4XZ 0.02293 -0.01172 0.05257 -0.01332 0.01923 172 4YZ -0.00363 -0.03768 0.00778 0.00411 0.03298 173 22 O 1S -0.00228 -0.00474 0.01091 0.00258 0.00368 174 2S 0.03329 -0.20401 -0.12842 0.00831 -0.03426 175 2PX 0.11621 -0.16474 -0.11460 -0.09443 0.05647 176 2PY -0.05488 0.07714 -0.16281 -0.01584 -0.03950 177 2PZ 0.04613 -0.10424 -0.05926 0.13497 -0.09400 178 3S 0.08750 0.47809 0.21387 0.13069 0.07251 179 3PX -0.14077 -0.04392 0.13156 0.04624 -0.14504 180 3PY 0.01056 -0.00143 0.14884 -0.08604 0.04978 181 3PZ -0.08617 0.10602 0.00520 -0.07982 0.17219 182 4XX 0.02038 -0.04573 0.02149 0.00030 -0.03047 183 4YY -0.00070 -0.05653 -0.09099 0.03292 -0.02237 184 4ZZ 0.01124 -0.08585 -0.03367 -0.01159 0.03293 185 4XY -0.01726 0.00915 -0.03646 0.03032 0.03028 186 4XZ 0.02293 -0.01171 0.05257 0.01333 0.01924 187 4YZ 0.00363 0.03768 -0.00780 0.00412 -0.03299 188 23 H 1S 0.10116 -0.57529 -0.60233 -0.00001 0.47704 189 2S 0.15677 -0.46901 1.17531 0.00001 -1.23453 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84210 0.85443 0.86451 0.88060 1 1 C 1S -0.01251 0.00743 -0.02295 0.00878 -0.01514 2 2S 0.12978 -0.05240 0.05662 -0.18448 0.32588 3 2PX -0.04674 -0.08924 -0.20725 0.12049 -0.21610 4 2PY 0.15765 -0.05226 -0.41078 -0.00781 -0.21221 5 2PZ 0.15130 -0.08414 -0.50885 0.14682 -0.31996 6 3S -0.51808 -0.45091 1.39789 0.44346 -0.68971 7 3PX 0.14522 0.06092 1.00451 -0.16129 0.50376 8 3PY -0.33200 0.38331 1.91081 -0.43838 0.43512 9 3PZ -0.87745 0.24501 1.78159 -0.55101 0.66170 10 4XX 0.01216 0.01699 -0.00079 -0.01958 0.00477 11 4YY -0.01565 -0.02275 0.07393 -0.00897 0.02093 12 4ZZ -0.00371 -0.00330 -0.02507 -0.00450 0.02013 13 4XY -0.00724 -0.01075 -0.02289 0.00058 -0.06034 14 4XZ -0.01641 0.01267 -0.02858 -0.00401 -0.02714 15 4YZ -0.01604 0.04154 -0.02385 0.00125 -0.04446 16 2 C 1S 0.01251 0.00743 0.02295 -0.00878 -0.01514 17 2S -0.12978 -0.05240 -0.05662 0.18448 0.32588 18 2PX 0.04674 -0.08924 0.20725 -0.12049 -0.21610 19 2PY 0.15767 0.05227 -0.41087 -0.00778 0.21226 20 2PZ -0.15127 -0.08412 0.50879 -0.14681 -0.31992 21 3S 0.51808 -0.45092 -1.39789 -0.44346 -0.68969 22 3PX -0.14521 0.06091 -1.00450 0.16127 0.50377 23 3PY -0.33215 -0.38335 1.91112 -0.43846 -0.43523 24 3PZ 0.87740 0.24494 -1.78127 0.55092 0.66164 25 4XX -0.01216 0.01699 0.00079 0.01958 0.00477 26 4YY 0.01565 -0.02274 -0.07392 0.00897 0.02091 27 4ZZ 0.00370 -0.00331 0.02507 0.00450 0.02015 28 4XY -0.00724 0.01075 -0.02290 0.00058 0.06035 29 4XZ 0.01641 0.01267 0.02857 0.00401 -0.02713 30 4YZ -0.01604 -0.04154 -0.02387 0.00125 0.04446 31 3 C 1S -0.00195 0.00720 0.00750 -0.00083 0.00290 32 2S 0.10211 0.10685 -0.08918 0.16346 0.10418 33 2PX -0.12934 -0.06491 0.00980 -0.08898 0.07353 34 2PY -0.17558 0.05024 -0.00849 -0.09101 -0.05731 35 2PZ 0.30208 0.03919 -0.01409 0.21701 -0.02451 36 3S -1.31977 -0.35501 0.73770 -0.80236 -0.42176 37 3PX 0.67113 -0.13443 -0.15284 -0.31735 0.01957 38 3PY 0.65052 -0.02324 -0.58094 0.31091 0.33026 39 3PZ -1.45845 -0.65510 0.10371 -0.98697 -0.13557 40 4XX -0.02344 -0.03788 -0.02421 -0.01861 -0.00872 41 4YY 0.02317 0.00520 0.06658 0.02641 0.01664 42 4ZZ -0.02705 0.05429 -0.03688 0.00012 -0.00775 43 4XY 0.02866 0.01257 0.03634 0.01204 -0.01120 44 4XZ -0.02591 -0.01193 0.00300 -0.00971 0.01888 45 4YZ 0.00490 0.00139 0.02490 -0.01343 -0.01344 46 4 C 1S 0.00423 -0.02740 -0.01106 -0.00278 0.00149 47 2S -0.03663 0.15840 0.09056 0.01924 -0.21342 48 2PX 0.44425 0.14807 0.10360 -0.52803 0.14491 49 2PY -0.27032 0.00849 -0.08188 -0.16916 -0.08278 50 2PZ 0.19328 -0.03846 0.05196 0.28767 -0.07682 51 3S 0.28391 0.53396 -0.55449 0.23708 0.68665 52 3PX -1.76156 -0.16808 -0.19830 1.46082 -0.23045 53 3PY 1.12588 0.41196 0.23523 0.90740 0.27289 54 3PZ -1.14767 0.00274 -0.22320 -1.25990 0.15464 55 4XX 0.01210 -0.05665 -0.00739 0.00069 -0.03145 56 4YY -0.02300 0.07265 -0.00057 -0.01252 -0.01314 57 4ZZ 0.01968 0.00385 -0.00271 0.01610 0.02265 58 4XY -0.00129 -0.00803 -0.00340 0.01743 -0.00910 59 4XZ 0.03415 0.05673 -0.02080 0.05666 0.00050 60 4YZ -0.00516 -0.03142 0.00385 -0.00882 0.02757 61 5 C 1S -0.00423 -0.02740 0.01106 0.00278 0.00149 62 2S 0.03663 0.15840 -0.09056 -0.01924 -0.21342 63 2PX -0.44425 0.14808 -0.10360 0.52802 0.14492 64 2PY -0.27028 -0.00849 -0.08187 -0.16912 0.08279 65 2PZ -0.19333 -0.03847 -0.05197 -0.28770 -0.07681 66 3S -0.28391 0.53396 0.55449 -0.23709 0.68664 67 3PX 1.76157 -0.16810 0.19830 -1.46081 -0.23048 68 3PY 1.12568 -0.41195 0.23519 0.90720 -0.27291 69 3PZ 1.14785 0.00269 0.22323 1.26005 0.15459 70 4XX -0.01210 -0.05665 0.00739 -0.00069 -0.03145 71 4YY 0.02300 0.07264 0.00057 0.01253 -0.01314 72 4ZZ -0.01969 0.00386 0.00271 -0.01610 0.02264 73 4XY -0.00128 0.00802 -0.00340 0.01744 0.00910 74 4XZ -0.03415 0.05673 0.02080 -0.05666 0.00050 75 4YZ -0.00515 0.03143 0.00385 -0.00881 -0.02758 76 6 C 1S 0.00195 0.00720 -0.00750 0.00083 0.00290 77 2S -0.10212 0.10685 0.08917 -0.16346 0.10420 78 2PX 0.12934 -0.06492 -0.00980 0.08898 0.07353 79 2PY -0.17552 -0.05025 -0.00849 -0.09097 0.05730 80 2PZ -0.30211 0.03917 0.01409 -0.21703 -0.02450 81 3S 1.31977 -0.35500 -0.73769 0.80238 -0.42178 82 3PX -0.67111 -0.13442 0.15284 0.31735 0.01956 83 3PY 0.65026 0.02335 -0.58092 0.31076 -0.33019 84 3PZ 1.45856 -0.65507 -0.10380 0.98703 -0.13563 85 4XX 0.02344 -0.03788 0.02421 0.01861 -0.00872 86 4YY -0.02317 0.00520 -0.06659 -0.02640 0.01663 87 4ZZ 0.02705 0.05429 0.03689 -0.00012 -0.00774 88 4XY 0.02865 -0.01257 0.03634 0.01204 0.01120 89 4XZ 0.02592 -0.01193 -0.00299 0.00971 0.01889 90 4YZ 0.00489 -0.00140 0.02488 -0.01343 0.01344 91 7 H 1S -0.02198 0.18748 -0.33068 0.12651 -0.30965 92 2S -0.20984 0.14411 1.68739 -0.54997 1.02873 93 8 H 1S 0.02198 0.18748 0.33068 -0.12651 -0.30965 94 2S 0.20985 0.14411 -1.68739 0.54995 1.02873 95 9 H 1S 0.12857 -0.00648 0.09359 0.03796 0.09064 96 2S -0.41168 0.07200 -0.04032 -0.16129 -0.21894 97 10 H 1S 0.04818 -0.26726 -0.07576 0.13743 -0.10324 98 2S 0.75552 -0.00790 0.29974 -0.96007 0.01258 99 11 H 1S -0.04818 -0.26726 0.07576 -0.13743 -0.10324 100 2S -0.75553 -0.00789 -0.29974 0.96007 0.01261 101 12 H 1S -0.12857 -0.00648 -0.09359 -0.03796 0.09063 102 2S 0.41166 0.07201 0.04032 0.16130 -0.21889 103 13 H 1S -0.04181 -0.34973 -0.07776 0.18908 0.05092 104 2S 0.37846 0.12309 0.04885 -1.11150 -0.40924 105 14 H 1S 0.04181 -0.34974 0.07776 -0.18908 0.05092 106 2S -0.37845 0.12311 -0.04885 1.11151 -0.40923 107 15 C 1S -0.00555 0.01307 -0.00609 -0.01815 -0.01109 108 2S 0.01063 -0.08951 0.07042 0.16381 0.50895 109 2PX 0.16012 0.04955 -0.02520 -0.00043 -0.05706 110 2PY 0.21291 0.00315 -0.25659 -0.16924 -0.25843 111 2PZ -0.22358 0.06606 -0.29150 -0.28228 -0.26228 112 3S -0.49638 0.22656 0.51321 0.15114 -1.11542 113 3PX -0.46912 -0.01272 0.26976 0.03934 0.20849 114 3PY -0.67150 -0.03883 1.14467 0.74905 0.63951 115 3PZ 0.70236 -0.11030 1.05187 0.96405 0.66050 116 4XX -0.00820 0.04416 0.01359 0.03290 0.03619 117 4YY -0.03561 -0.02122 0.04282 0.02817 0.02243 118 4ZZ 0.02529 0.01327 -0.01394 -0.03296 0.01204 119 4XY -0.00251 -0.00437 -0.00559 -0.00749 -0.06122 120 4XZ 0.00361 0.06527 -0.00795 -0.00123 -0.00484 121 4YZ 0.01166 0.03941 -0.01748 -0.02244 -0.06396 122 16 C 1S 0.00555 0.01307 0.00609 0.01815 -0.01109 123 2S -0.01063 -0.08951 -0.07042 -0.16381 0.50895 124 2PX -0.16012 0.04955 0.02520 0.00043 -0.05706 125 2PY 0.21287 -0.00316 -0.25664 -0.16929 0.25847 126 2PZ 0.22362 0.06607 0.29146 0.28225 -0.26224 127 3S 0.49638 0.22656 -0.51320 -0.15114 -1.11541 128 3PX 0.46912 -0.01272 -0.26976 -0.03934 0.20848 129 3PY -0.67139 0.03886 1.14485 0.74922 -0.63962 130 3PZ -0.70248 -0.11031 -1.05168 -0.96393 0.66039 131 4XX 0.00820 0.04416 -0.01359 -0.03290 0.03619 132 4YY 0.03560 -0.02121 -0.04281 -0.02817 0.02241 133 4ZZ -0.02529 0.01326 0.01393 0.03295 0.01206 134 4XY -0.00251 0.00436 -0.00559 -0.00750 0.06122 135 4XZ -0.00362 0.06527 0.00795 0.00123 -0.00483 136 4YZ 0.01168 -0.03942 -0.01749 -0.02245 0.06396 137 17 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 138 2S 0.00000 -0.59689 0.00000 0.00001 -0.09430 139 2PX 0.00000 0.17547 0.00000 0.00000 -0.01069 140 2PY 0.01727 0.00002 0.01735 -0.05023 0.00001 141 2PZ 0.00000 -0.18814 0.00000 0.00000 -0.07998 142 3S 0.00000 1.37942 -0.00001 -0.00001 0.36075 143 3PX 0.00000 -0.66900 0.00000 0.00001 -0.14454 144 3PY -0.02805 -0.00003 -0.07676 0.08532 0.00001 145 3PZ 0.00000 0.38094 -0.00001 0.00000 -0.06961 146 4XX 0.00000 0.03393 0.00000 0.00000 0.00608 147 4YY 0.00000 -0.03071 0.00000 0.00000 0.02724 148 4ZZ 0.00000 -0.08760 0.00000 0.00000 -0.00015 149 4XY -0.00196 0.00000 -0.00514 0.02282 0.00000 150 4XZ 0.00000 0.00033 0.00000 0.00000 -0.04137 151 4YZ 0.01319 0.00001 0.00650 0.01570 0.00000 152 18 H 1S -0.08090 0.10598 0.17412 0.29646 -0.25887 153 2S -0.10135 -0.29769 -1.03404 -1.01008 1.13660 154 19 H 1S 0.00000 -0.26640 0.00000 0.00000 0.15199 155 2S -0.00001 -0.39439 0.00000 0.00001 -0.15690 156 20 H 1S 0.08090 0.10598 -0.17412 -0.29646 -0.25887 157 2S 0.10135 -0.29767 1.03404 1.01008 1.13661 158 21 O 1S 0.00236 0.00789 0.00258 0.00554 0.01246 159 2S -0.06277 -0.25679 0.07324 0.04121 0.02688 160 2PX 0.06071 -0.11460 -0.02358 -0.03451 -0.04238 161 2PY 0.04014 0.16503 -0.01473 0.06043 0.12145 162 2PZ -0.06623 -0.17194 0.01511 0.05708 0.02553 163 3S 0.00311 0.07251 -0.34701 -0.21150 -0.26353 164 3PX 0.04193 0.21798 0.09158 0.12894 0.10914 165 3PY -0.00230 -0.33389 -0.07966 -0.14761 -0.35101 166 3PZ -0.01079 0.08130 -0.06612 -0.10992 -0.06772 167 4XX -0.02113 -0.09697 0.02555 -0.00552 0.02678 168 4YY -0.00190 -0.08520 0.00192 0.01517 -0.03012 169 4ZZ -0.02919 -0.06050 0.03116 0.02672 0.02923 170 4XY -0.00179 -0.04625 0.02085 0.02517 0.00424 171 4XZ -0.01734 -0.02515 0.00443 0.02154 0.01476 172 4YZ -0.00595 -0.01657 0.00429 0.00000 0.01255 173 22 O 1S -0.00236 0.00789 -0.00258 -0.00554 0.01246 174 2S 0.06277 -0.25679 -0.07324 -0.04121 0.02688 175 2PX -0.06071 -0.11460 0.02358 0.03452 -0.04238 176 2PY 0.04014 -0.16500 -0.01472 0.06044 -0.12145 177 2PZ 0.06624 -0.17197 -0.01511 -0.05707 0.02552 178 3S -0.00310 0.07252 0.34701 0.21150 -0.26353 179 3PX -0.04193 0.21798 -0.09158 -0.12895 0.10914 180 3PY -0.00231 0.33387 -0.07967 -0.14764 0.35102 181 3PZ 0.01079 0.08135 0.06611 0.10989 -0.06766 182 4XX 0.02113 -0.09697 -0.02555 0.00553 0.02678 183 4YY 0.00191 -0.08520 -0.00192 -0.01517 -0.03011 184 4ZZ 0.02918 -0.06049 -0.03116 -0.02672 0.02922 185 4XY -0.00180 0.04625 0.02085 0.02518 -0.00424 186 4XZ 0.01734 -0.02514 -0.00442 -0.02154 0.01476 187 4YZ -0.00595 0.01657 0.00430 0.00000 -0.01257 188 23 H 1S 0.00000 0.03575 0.00000 0.00000 0.07715 189 2S 0.00001 -0.04219 0.00000 0.00000 -0.07141 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S -0.01246 -0.00115 0.00703 -0.00839 -0.00500 2 2S -0.10050 0.10243 -0.11913 0.22247 -0.10246 3 2PX -0.22048 0.18624 0.33438 -0.08950 0.06200 4 2PY -0.10665 -0.10928 -0.16591 -0.19089 0.06352 5 2PZ -0.25771 0.20281 0.27852 -0.25475 -0.00494 6 3S 0.10818 -1.06324 0.04565 -0.90042 0.46185 7 3PX 0.58516 -1.30087 -1.38360 0.31163 0.05061 8 3PY 0.27984 0.62038 1.08448 0.73550 -0.14693 9 3PZ 0.63867 -1.23302 -1.13690 0.67328 0.08963 10 4XX -0.00075 -0.02077 -0.02333 0.04777 0.01913 11 4YY -0.02572 0.02136 0.01024 -0.00918 -0.01481 12 4ZZ 0.02259 -0.02081 -0.01907 -0.00777 -0.02187 13 4XY -0.03478 -0.00796 0.03024 -0.00217 0.02178 14 4XZ -0.02786 -0.03835 -0.00104 -0.00086 0.00503 15 4YZ -0.03860 -0.00378 0.02881 0.00365 -0.01501 16 2 C 1S -0.01246 0.00115 -0.00703 -0.00839 -0.00500 17 2S -0.10047 -0.10248 0.11913 0.22247 -0.10246 18 2PX -0.22041 -0.18630 -0.33439 -0.08951 0.06201 19 2PY 0.10674 -0.10922 -0.16585 0.19093 -0.06352 20 2PZ -0.25762 -0.20290 -0.27856 -0.25472 -0.00495 21 3S 0.10782 1.06330 -0.04565 -0.90042 0.46186 22 3PX 0.58468 1.30104 1.38364 0.31165 0.05061 23 3PY -0.28019 0.62009 1.08427 -0.73560 0.14693 24 3PZ 0.63818 1.23330 1.13712 0.67317 0.08965 25 4XX -0.00076 0.02077 0.02333 0.04777 0.01913 26 4YY -0.02572 -0.02137 -0.01025 -0.00918 -0.01482 27 4ZZ 0.02259 0.02082 0.01908 -0.00777 -0.02186 28 4XY 0.03478 -0.00796 0.03024 0.00217 -0.02178 29 4XZ -0.02787 0.03834 0.00104 -0.00086 0.00503 30 4YZ 0.03859 -0.00378 0.02881 -0.00365 0.01501 31 3 C 1S 0.00206 0.02135 -0.02361 0.01639 0.00615 32 2S -0.17392 -0.37343 0.21051 -0.23064 -0.11129 33 2PX -0.05501 -0.12772 -0.11755 -0.05373 0.01994 34 2PY -0.20862 -0.61759 0.14226 -0.23607 -0.26364 35 2PZ -0.04363 -0.12016 -0.21374 0.06380 -0.02680 36 3S -0.05984 -0.00999 -1.22511 0.36655 0.31455 37 3PX 0.17918 0.88179 0.94843 -0.23002 0.03646 38 3PY 0.71193 1.86297 -0.13676 0.79226 0.44635 39 3PZ 0.05869 0.93814 1.13510 -0.41118 0.33613 40 4XX -0.02043 -0.06445 0.01697 -0.05983 -0.03332 41 4YY 0.00911 0.07702 -0.04753 0.01931 0.04422 42 4ZZ -0.02910 -0.06044 0.02158 0.01071 -0.02962 43 4XY -0.00814 -0.03106 -0.04839 0.01337 -0.00579 44 4XZ -0.02290 -0.02799 -0.00813 -0.03227 -0.00730 45 4YZ -0.03282 -0.05421 -0.02206 0.00045 -0.01769 46 4 C 1S -0.00449 0.00103 -0.00613 -0.00794 0.01277 47 2S -0.25367 -0.11026 0.07381 0.11592 0.04831 48 2PX 0.16332 -0.01700 0.31221 -0.45792 -0.26018 49 2PY -0.05510 0.04204 0.17690 -0.02627 -0.05498 50 2PZ -0.21159 -0.24047 -0.06634 0.10708 -0.08727 51 3S 0.66167 0.52298 -0.30489 0.28221 -0.28358 52 3PX -0.12410 0.05498 -0.62314 0.85901 0.44120 53 3PY 0.09566 -0.60879 -0.91147 0.16132 -0.14831 54 3PZ 0.23870 0.89478 0.51278 -0.35126 0.06876 55 4XX -0.02814 -0.01882 -0.02323 0.00424 0.02409 56 4YY -0.04046 -0.00674 0.01680 0.03688 -0.02474 57 4ZZ 0.01963 0.02097 0.00675 -0.01727 0.01588 58 4XY -0.06970 0.01141 -0.01403 0.01027 0.01561 59 4XZ -0.01369 0.01004 -0.03610 0.07607 0.01082 60 4YZ 0.05891 0.04881 -0.00004 0.00325 0.02985 61 5 C 1S -0.00449 -0.00103 0.00613 -0.00794 0.01277 62 2S -0.25370 0.11019 -0.07382 0.11592 0.04831 63 2PX 0.16333 0.01706 -0.31220 -0.45792 -0.26018 64 2PY 0.05511 0.04201 0.17689 0.02625 0.05499 65 2PZ -0.21166 0.24041 0.06636 0.10709 -0.08726 66 3S 0.66183 -0.52278 0.30492 0.28221 -0.28358 67 3PX -0.12413 -0.05503 0.62312 0.85900 0.44119 68 3PY -0.09547 -0.60867 -0.91140 -0.16127 0.14829 69 3PZ 0.23899 -0.89481 -0.51292 -0.35131 0.06878 70 4XX -0.02815 0.01881 0.02323 0.00424 0.02409 71 4YY -0.04045 0.00672 -0.01680 0.03688 -0.02473 72 4ZZ 0.01962 -0.02095 -0.00674 -0.01728 0.01588 73 4XY 0.06970 0.01143 -0.01404 -0.01028 -0.01561 74 4XZ -0.01368 -0.01004 0.03610 0.07607 0.01082 75 4YZ -0.05894 0.04880 -0.00005 -0.00324 -0.02986 76 6 C 1S 0.00206 -0.02135 0.02361 0.01639 0.00615 77 2S -0.17404 0.37337 -0.21052 -0.23064 -0.11129 78 2PX -0.05506 0.12769 0.11755 -0.05373 0.01994 79 2PY 0.20882 -0.61755 0.14224 0.23605 0.26364 80 2PZ -0.04365 0.12005 0.21376 0.06384 -0.02676 81 3S -0.05990 0.00998 1.22511 0.36655 0.31455 82 3PX 0.17950 -0.88173 -0.94843 -0.23003 0.03645 83 3PY -0.71254 1.86292 -0.13660 -0.79217 -0.44641 84 3PZ 0.05892 -0.93780 -1.13512 -0.41134 0.33605 85 4XX -0.02045 0.06445 -0.01697 -0.05983 -0.03332 86 4YY 0.00912 -0.07700 0.04753 0.01931 0.04421 87 4ZZ -0.02911 0.06042 -0.02159 0.01071 -0.02962 88 4XY 0.00815 -0.03106 -0.04839 -0.01337 0.00579 89 4XZ -0.02291 0.02798 0.00813 -0.03228 -0.00730 90 4YZ 0.03285 -0.05422 -0.02204 -0.00045 0.01770 91 7 H 1S -0.17061 0.02098 0.15786 0.01110 0.02030 92 2S 0.72511 -0.47310 -0.73561 0.78914 -0.07413 93 8 H 1S -0.17060 -0.02103 -0.15787 0.01110 0.02031 94 2S 0.72493 0.47330 0.73565 0.78915 -0.07414 95 9 H 1S 0.13038 0.39999 -0.18835 0.23014 0.27824 96 2S -0.57823 -1.60548 0.50227 -0.77218 -0.58643 97 10 H 1S -0.21857 -0.04637 -0.24285 0.08353 0.20424 98 2S 0.08732 -0.21214 0.70971 -0.71842 -0.26863 99 11 H 1S -0.21860 0.04630 0.24284 0.08353 0.20423 100 2S 0.08730 0.21217 -0.70970 -0.71842 -0.26863 101 12 H 1S 0.13050 -0.39995 0.18836 0.23014 0.27825 102 2S -0.57873 1.60531 -0.50230 -0.77217 -0.58644 103 13 H 1S 0.31817 -0.01578 -0.13437 -0.28655 0.11514 104 2S -0.63579 0.36932 0.35595 0.78223 0.15322 105 14 H 1S 0.31815 0.01589 0.13439 -0.28655 0.11514 106 2S -0.63564 -0.36952 -0.35599 0.78223 0.15323 107 15 C 1S 0.00219 0.00502 -0.00752 0.00499 0.00011 108 2S -0.38607 0.08274 0.25011 -0.04365 -0.02172 109 2PX -0.07943 -0.03177 0.00784 0.06989 0.09928 110 2PY 0.17631 -0.06634 -0.09105 0.09677 0.06931 111 2PZ 0.28380 0.02275 -0.37528 -0.00115 0.07430 112 3S 0.95104 -0.40496 -0.66147 0.07900 0.08802 113 3PX 0.03045 0.06369 0.00006 -0.17656 -0.23620 114 3PY -0.45440 -0.18176 0.25447 -0.22486 -0.08136 115 3PZ -0.50567 -0.12301 1.04783 -0.11534 -0.15152 116 4XX -0.02976 0.00458 0.03131 -0.00712 -0.01459 117 4YY -0.01575 0.00211 0.01787 0.01744 0.00752 118 4ZZ -0.01386 -0.00098 -0.01031 -0.02251 0.00087 119 4XY 0.04674 -0.00609 -0.00208 0.00817 0.01543 120 4XZ 0.02047 -0.00503 -0.01020 -0.02420 0.03472 121 4YZ 0.06428 0.00491 -0.02106 -0.02715 -0.00865 122 16 C 1S 0.00220 -0.00502 0.00752 0.00499 0.00011 123 2S -0.38604 -0.08288 -0.25012 -0.04365 -0.02172 124 2PX -0.07944 0.03174 -0.00784 0.06989 0.09928 125 2PY -0.17633 -0.06640 -0.09112 -0.09677 -0.06932 126 2PZ 0.28376 -0.02266 0.37527 -0.00117 0.07429 127 3S 0.95087 0.40529 0.66149 0.07900 0.08802 128 3PX 0.03047 -0.06369 -0.00005 -0.17656 -0.23620 129 3PY 0.45454 -0.18162 0.25466 0.22488 0.08138 130 3PZ -0.50559 0.12280 -1.04781 -0.11530 -0.15151 131 4XX -0.02976 -0.00459 -0.03131 -0.00712 -0.01459 132 4YY -0.01573 -0.00212 -0.01786 0.01743 0.00752 133 4ZZ -0.01387 0.00098 0.01030 -0.02251 0.00088 134 4XY -0.04674 -0.00610 -0.00208 -0.00816 -0.01544 135 4XZ 0.02046 0.00504 0.01020 -0.02420 0.03472 136 4YZ -0.06429 0.00488 -0.02107 0.02716 0.00865 137 17 C 1S -0.00137 0.00000 0.00000 -0.01681 0.00577 138 2S 0.11503 0.00002 0.00000 0.34441 -0.95893 139 2PX 0.15854 0.00002 0.00000 -0.02500 -0.45035 140 2PY 0.00000 0.01367 0.05813 -0.00003 0.00002 141 2PZ -0.09567 -0.00001 0.00000 0.31330 -0.25015 142 3S -0.37858 -0.00006 0.00000 -0.90193 2.60469 143 3PX -0.29852 -0.00005 -0.00001 0.21151 0.67190 144 3PY -0.00004 0.00317 -0.18112 0.00005 -0.00001 145 3PZ 0.50221 0.00008 0.00000 -0.63952 0.15571 146 4XX 0.00013 0.00000 0.00000 0.01002 -0.01699 147 4YY -0.02863 0.00000 0.00000 0.05319 -0.06143 148 4ZZ 0.02662 0.00000 0.00000 -0.06109 0.01458 149 4XY 0.00000 0.00196 -0.01273 0.00000 0.00000 150 4XZ 0.04069 0.00001 0.00000 0.00322 -0.00553 151 4YZ 0.00000 -0.01885 0.01641 0.00001 -0.00001 152 18 H 1S 0.24845 0.00897 0.27865 -0.07545 -0.00253 153 2S -0.91983 0.04257 -0.95950 -0.06876 -0.14604 154 19 H 1S -0.00466 0.00000 0.00000 -0.39981 0.39559 155 2S -0.32204 -0.00005 -0.00001 1.09909 -0.93597 156 20 H 1S 0.24846 -0.00888 -0.27864 -0.07545 -0.00253 157 2S -0.91986 -0.04290 0.95948 -0.06876 -0.14604 158 21 O 1S -0.00683 -0.00094 0.00074 -0.00210 -0.00073 159 2S 0.00168 0.05292 0.03019 0.01557 -0.14973 160 2PX 0.03414 0.01029 -0.04328 0.03438 0.00863 161 2PY -0.08588 -0.05060 0.00107 -0.07889 0.21774 162 2PZ -0.00084 -0.01228 0.07995 0.00868 0.02339 163 3S 0.09085 -0.03890 -0.20300 0.10010 0.12751 164 3PX 0.00570 -0.02931 0.07826 -0.10978 -0.15100 165 3PY 0.23131 0.08953 -0.01151 0.19056 -0.31803 166 3PZ 0.02335 0.02389 -0.18138 0.02400 -0.09462 167 4XX -0.01635 0.00976 0.01004 0.01979 -0.04623 168 4YY 0.04395 0.01019 -0.00336 -0.01387 -0.03787 169 4ZZ -0.02346 0.02936 0.01242 0.02530 -0.07806 170 4XY -0.00022 -0.00688 0.01240 0.01127 -0.02717 171 4XZ -0.01924 0.00929 0.00564 0.01334 -0.01234 172 4YZ -0.01461 0.00506 0.00058 0.02857 -0.02710 173 22 O 1S -0.00683 0.00094 -0.00074 -0.00210 -0.00073 174 2S 0.00170 -0.05292 -0.03019 0.01557 -0.14973 175 2PX 0.03414 -0.01028 0.04328 0.03438 0.00863 176 2PY 0.08590 -0.05058 0.00108 0.07889 -0.21774 177 2PZ -0.00083 0.01227 -0.07996 0.00869 0.02335 178 3S 0.09083 0.03893 0.20300 0.10010 0.12751 179 3PX 0.00569 0.02931 -0.07826 -0.10978 -0.15101 180 3PY -0.23134 0.08945 -0.01154 -0.19057 0.31804 181 3PZ 0.02331 -0.02386 0.18137 0.02397 -0.09457 182 4XX -0.01634 -0.00976 -0.01004 0.01979 -0.04623 183 4YY 0.04395 -0.01017 0.00336 -0.01387 -0.03787 184 4ZZ -0.02344 -0.02937 -0.01242 0.02529 -0.07805 185 4XY 0.00022 -0.00688 0.01241 -0.01127 0.02717 186 4XZ -0.01924 -0.00930 -0.00564 0.01334 -0.01234 187 4YZ 0.01462 0.00507 0.00059 -0.02858 0.02711 188 23 H 1S -0.05167 -0.00001 0.00000 -0.12113 0.34703 189 2S 0.41077 0.00006 0.00001 0.03815 -1.26434 101 102 103 104 105 V V V V V Eigenvalues -- 0.93716 0.94030 0.95123 1.00793 1.01440 1 1 C 1S 0.00093 0.00626 -0.00337 -0.01326 -0.01530 2 2S -0.33659 -0.25520 0.25452 -0.46598 -0.49413 3 2PX 0.00598 0.10588 0.04303 0.12728 -0.10291 4 2PY 0.06951 0.08044 -0.27274 -0.27571 0.19422 5 2PZ 0.04207 0.18672 0.06743 0.14919 0.07546 6 3S 1.22565 0.00970 -0.85500 1.85089 1.66994 7 3PX 0.12589 -0.23181 -0.91470 -1.13485 0.08691 8 3PY -0.46920 0.26402 2.07331 2.34366 -0.98540 9 3PZ 0.05995 -0.30541 -0.84464 -1.23807 -0.24933 10 4XX -0.00622 -0.01928 -0.00076 -0.02105 -0.01981 11 4YY -0.01670 -0.04812 0.03743 0.02622 -0.02319 12 4ZZ -0.02343 0.03338 -0.01377 -0.06152 -0.02410 13 4XY -0.01124 0.02313 0.01310 -0.00546 0.00861 14 4XZ 0.00245 0.03608 -0.03191 -0.06790 -0.02812 15 4YZ -0.00737 0.08448 0.01241 -0.03103 -0.05309 16 2 C 1S -0.00093 0.00626 0.00337 0.01326 -0.01530 17 2S 0.33659 -0.25520 -0.25453 0.46599 -0.49413 18 2PX -0.00597 0.10588 -0.04303 -0.12728 -0.10291 19 2PY 0.06951 -0.08047 -0.27273 -0.27568 -0.19423 20 2PZ -0.04206 0.18671 -0.06747 -0.14923 0.07543 21 3S -1.22565 0.00970 0.85500 -1.85092 1.66993 22 3PX -0.12590 -0.23182 0.91471 1.13486 0.08689 23 3PY -0.46919 -0.26400 2.07316 2.34344 0.98542 24 3PZ -0.06003 -0.30547 0.84498 1.23845 -0.24918 25 4XX 0.00622 -0.01928 0.00076 0.02105 -0.01981 26 4YY 0.01670 -0.04809 -0.03744 -0.02621 -0.02321 27 4ZZ 0.02343 0.03336 0.01378 0.06151 -0.02408 28 4XY -0.01124 -0.02313 0.01310 -0.00547 -0.00860 29 4XZ -0.00245 0.03608 0.03192 0.06789 -0.02812 30 4YZ -0.00737 -0.08450 0.01240 -0.03105 0.05309 31 3 C 1S 0.00660 -0.00251 -0.01119 0.00773 0.00070 32 2S 0.19126 -0.44876 0.08950 0.43179 -0.03880 33 2PX 0.19680 0.04229 -0.30456 0.04065 -0.10220 34 2PY 0.04376 -0.38618 0.15198 0.08628 -0.05157 35 2PZ 0.10030 0.01489 -0.18351 -0.09760 -0.04420 36 3S -0.45000 1.17940 -1.33046 -2.11467 -0.29278 37 3PX -0.90172 -0.28340 1.62841 0.82998 0.60059 38 3PY -0.21404 0.81396 -0.13509 -0.22270 -0.44538 39 3PZ -0.83539 -0.55062 1.55448 0.50010 0.59667 40 4XX 0.03643 -0.04931 0.00151 -0.04644 -0.04190 41 4YY 0.04184 0.00234 -0.02674 0.08330 0.09365 42 4ZZ -0.04564 -0.02311 0.00242 -0.00309 -0.06586 43 4XY -0.00981 0.02777 0.01680 0.05919 -0.03021 44 4XZ 0.02713 -0.01992 -0.07267 -0.00968 0.02953 45 4YZ 0.01717 0.00139 -0.01103 -0.04280 -0.04312 46 4 C 1S 0.02677 -0.02132 0.01204 0.00231 0.00030 47 2S -0.57973 -0.17167 -0.32960 0.23143 0.47162 48 2PX 0.06464 0.12030 -0.18190 0.07884 0.05700 49 2PY -0.27476 -0.03065 0.00182 0.01396 0.05810 50 2PZ -0.22353 -0.13513 -0.13700 0.09018 0.24374 51 3S 1.42023 0.73745 0.29110 -0.85140 -1.37876 52 3PX -0.13418 -0.30732 0.09430 -0.66661 -0.11437 53 3PY 1.15241 0.16438 -0.81321 0.22175 -0.15014 54 3PZ -0.07723 0.05221 0.71970 -0.15261 -0.08903 55 4XX 0.00366 -0.03287 0.06415 0.02520 -0.07386 56 4YY -0.04817 0.00036 -0.01243 0.00869 0.07129 57 4ZZ -0.00400 -0.01708 -0.09213 -0.00719 0.07071 58 4XY -0.00637 -0.05402 0.03011 0.02347 0.03531 59 4XZ -0.06432 -0.00479 0.02229 0.07107 0.00546 60 4YZ 0.01592 -0.01512 0.00660 -0.00040 0.03390 61 5 C 1S -0.02677 -0.02131 -0.01204 -0.00231 0.00030 62 2S 0.57972 -0.17168 0.32961 -0.23142 0.47162 63 2PX -0.06464 0.12030 0.18190 -0.07883 0.05701 64 2PY -0.27479 0.03067 0.00180 0.01398 -0.05814 65 2PZ 0.22348 -0.13513 0.13700 -0.09018 0.24372 66 3S -1.42022 0.73747 -0.29109 0.85137 -1.37876 67 3PX 0.13418 -0.30733 -0.09431 0.66661 -0.11437 68 3PY 1.15240 -0.16440 -0.81309 0.22173 0.15016 69 3PZ 0.07742 0.05219 -0.71983 0.15264 -0.08899 70 4XX -0.00366 -0.03287 -0.06415 -0.02520 -0.07386 71 4YY 0.04816 0.00036 0.01243 -0.00869 0.07130 72 4ZZ 0.00400 -0.01708 0.09214 0.00719 0.07069 73 4XY -0.00638 0.05402 0.03011 0.02348 -0.03531 74 4XZ 0.06432 -0.00478 -0.02229 -0.07107 0.00546 75 4YZ 0.01593 0.01512 0.00659 -0.00040 -0.03390 76 6 C 1S -0.00660 -0.00251 0.01119 -0.00773 0.00070 77 2S -0.19127 -0.44875 -0.08950 -0.43180 -0.03880 78 2PX -0.19680 0.04229 0.30456 -0.04065 -0.10220 79 2PY 0.04378 0.38617 0.15195 0.08627 0.05158 80 2PZ -0.10029 0.01496 0.18354 0.09762 -0.04419 81 3S 0.45002 1.17936 1.33047 2.11471 -0.29280 82 3PX 0.90172 -0.28339 -1.62841 -0.82999 0.60060 83 3PY -0.21420 -0.81386 -0.13483 -0.22261 0.44527 84 3PZ 0.83535 -0.55075 -1.55451 -0.50014 0.59677 85 4XX -0.03644 -0.04931 -0.00151 0.04644 -0.04190 86 4YY -0.04184 0.00234 0.02674 -0.08328 0.09364 87 4ZZ 0.04564 -0.02311 -0.00242 0.00308 -0.06585 88 4XY -0.00981 -0.02776 0.01678 0.05919 0.03021 89 4XZ -0.02713 -0.01993 0.07267 0.00969 0.02953 90 4YZ 0.01716 -0.00138 -0.01103 -0.04282 0.04316 91 7 H 1S 0.03555 0.32954 -0.13422 -0.22530 -0.25391 92 2S -0.32556 -0.57765 0.29793 -0.22918 -0.46372 93 8 H 1S -0.03554 0.32954 0.13423 0.22530 -0.25391 94 2S 0.32556 -0.57765 -0.29794 0.22918 -0.46372 95 9 H 1S 0.02889 0.19362 -0.14243 0.13036 0.39256 96 2S 0.14806 -0.96788 0.38186 0.15617 -0.14085 97 10 H 1S 0.22158 -0.23252 0.43751 0.12797 -0.24176 98 2S -0.50204 0.26417 -0.59464 0.23965 0.60259 99 11 H 1S -0.22158 -0.23251 -0.43752 -0.12797 -0.24176 100 2S 0.50205 0.26416 0.59465 -0.23963 0.60258 101 12 H 1S -0.02888 0.19362 0.14243 -0.13036 0.39256 102 2S -0.14808 -0.96787 -0.38187 -0.15618 -0.14085 103 13 H 1S -0.50825 -0.05332 -0.05890 0.23800 -0.19776 104 2S 1.05453 -0.35864 0.10128 -0.24326 0.44802 105 14 H 1S 0.50825 -0.05332 0.05890 -0.23801 -0.19776 106 2S -1.05454 -0.35862 -0.10128 0.24326 0.44803 107 15 C 1S 0.00269 -0.01083 -0.00758 -0.01582 0.00961 108 2S -0.10730 0.13798 0.13133 -0.81394 0.22035 109 2PX -0.06104 -0.16646 0.02462 0.07810 -0.09886 110 2PY -0.19487 -0.15638 0.10341 -0.03336 0.02831 111 2PZ 0.04508 -0.26767 -0.05779 0.15583 -0.01251 112 3S 0.20998 -0.52822 -0.06298 2.52076 -0.44923 113 3PX -0.08626 0.23859 0.23134 -0.17173 0.29549 114 3PY 0.48059 0.37848 -0.16714 0.52526 0.13324 115 3PZ -0.86802 0.52108 0.70187 -0.65604 0.06546 116 4XX 0.00886 0.02848 0.01586 -0.03441 -0.02806 117 4YY 0.01794 0.00035 -0.00433 -0.01008 0.03106 118 4ZZ -0.04428 -0.01219 0.01947 -0.05309 0.02126 119 4XY -0.00086 0.05105 0.00013 -0.00126 -0.05775 120 4XZ -0.05261 -0.01033 0.03495 -0.04567 -0.03850 121 4YZ -0.02782 -0.04387 0.02378 -0.00557 0.03674 122 16 C 1S -0.00269 -0.01083 0.00758 0.01582 0.00961 123 2S 0.10730 0.13798 -0.13132 0.81394 0.22034 124 2PX 0.06104 -0.16646 -0.02462 -0.07810 -0.09886 125 2PY -0.19486 0.15643 0.10340 -0.03333 -0.02831 126 2PZ -0.04512 -0.26765 0.05780 -0.15584 -0.01251 127 3S -0.20998 -0.52822 0.06297 -2.52076 -0.44920 128 3PX 0.08626 0.23858 -0.23133 0.17173 0.29549 129 3PY 0.48044 -0.37856 -0.16703 0.52515 -0.13327 130 3PZ 0.86811 0.52101 -0.70189 0.65613 0.06545 131 4XX -0.00886 0.02849 -0.01586 0.03441 -0.02806 132 4YY -0.01793 0.00033 0.00432 0.01009 0.03107 133 4ZZ 0.04427 -0.01217 -0.01946 0.05309 0.02125 134 4XY -0.00087 -0.05105 0.00014 -0.00127 0.05776 135 4XZ 0.05261 -0.01034 -0.03496 0.04567 -0.03849 136 4YZ -0.02783 0.04387 0.02378 -0.00558 -0.03674 137 17 C 1S 0.00000 0.00221 0.00000 0.00000 0.03072 138 2S 0.00000 -0.06401 0.00001 0.00000 0.54744 139 2PX 0.00000 0.13800 0.00000 0.00000 0.00645 140 2PY 0.01829 0.00000 -0.11486 0.01182 0.00000 141 2PZ 0.00000 0.00182 -0.00001 0.00000 -0.00339 142 3S 0.00001 -0.06990 -0.00002 0.00000 -1.11885 143 3PX 0.00000 0.08391 0.00000 0.00001 0.03352 144 3PY -0.12183 -0.00003 0.44937 0.05079 0.00000 145 3PZ -0.00001 0.31993 0.00004 0.00001 -0.07538 146 4XX 0.00000 -0.01130 0.00000 0.00000 -0.00462 147 4YY 0.00000 -0.05704 0.00000 0.00000 0.05955 148 4ZZ 0.00000 0.04847 0.00000 0.00000 0.04993 149 4XY 0.04030 0.00000 0.04890 0.01249 0.00000 150 4XZ 0.00000 0.02221 0.00000 0.00000 -0.00606 151 4YZ -0.02862 -0.00001 -0.01799 -0.01849 0.00000 152 18 H 1S 0.27735 -0.18566 -0.14088 0.02193 0.14023 153 2S 0.01092 0.70129 -0.15927 0.71346 0.12570 154 19 H 1S 0.00000 0.09060 0.00000 0.00000 0.13885 155 2S -0.00001 -0.37480 0.00000 -0.00001 0.10993 156 20 H 1S -0.27735 -0.18566 0.14087 -0.02193 0.14022 157 2S -0.01091 0.70129 0.15928 -0.71346 0.12570 158 21 O 1S -0.00954 -0.00331 0.00861 -0.00800 -0.00260 159 2S -0.01610 0.02248 -0.14146 -0.09462 0.01580 160 2PX 0.13685 0.00523 0.10107 -0.01816 0.06755 161 2PY -0.01932 -0.14675 0.11237 -0.05901 0.12797 162 2PZ -0.04490 0.05077 -0.21536 0.06368 -0.01974 163 3S 0.33805 -0.02731 0.04998 0.15620 0.13120 164 3PX -0.38663 0.03446 0.11441 0.00540 -0.11018 165 3PY 0.05715 0.16086 -0.18454 0.08446 -0.12163 166 3PZ -0.00674 -0.08076 0.32893 -0.00429 0.05007 167 4XX -0.01960 0.00598 -0.07369 -0.04059 0.00254 168 4YY -0.03567 0.02169 -0.00346 -0.06418 -0.00327 169 4ZZ 0.03847 0.00234 -0.02748 0.00579 0.00205 170 4XY 0.01737 0.00599 -0.00552 0.01221 0.04040 171 4XZ 0.00830 -0.02935 -0.01717 -0.04140 0.00382 172 4YZ 0.00035 -0.02008 -0.00113 0.02117 0.01867 173 22 O 1S 0.00954 -0.00331 -0.00861 0.00800 -0.00260 174 2S 0.01610 0.02248 0.14146 0.09462 0.01579 175 2PX -0.13685 0.00524 -0.10106 0.01816 0.06754 176 2PY -0.01933 0.14674 0.11234 -0.05900 -0.12797 177 2PZ 0.04489 0.05079 0.21538 -0.06369 -0.01976 178 3S -0.33805 -0.02730 -0.04998 -0.15621 0.13121 179 3PX 0.38663 0.03445 -0.11442 -0.00540 -0.11017 180 3PY 0.05715 -0.16085 -0.18449 0.08446 0.12163 181 3PZ 0.00674 -0.08079 -0.32896 0.00431 0.05009 182 4XX 0.01960 0.00598 0.07369 0.04059 0.00254 183 4YY 0.03567 0.02168 0.00346 0.06418 -0.00327 184 4ZZ -0.03847 0.00234 0.02748 -0.00578 0.00204 185 4XY 0.01737 -0.00599 -0.00552 0.01220 -0.04040 186 4XZ -0.00830 -0.02935 0.01717 0.04140 0.00382 187 4YZ 0.00036 0.02008 -0.00114 0.02118 -0.01867 188 23 H 1S 0.00000 -0.15620 0.00000 0.00000 0.00056 189 2S 0.00000 0.14021 0.00001 0.00000 0.32615 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02724 1.09208 1.09920 1.11414 1 1 C 1S -0.00452 -0.01307 0.00843 0.01558 -0.01726 2 2S -0.29745 -0.43715 0.29755 0.56416 -0.48747 3 2PX 0.02352 0.00573 0.01866 0.08141 -0.10456 4 2PY -0.00012 0.15832 0.03452 0.01729 -0.00853 5 2PZ -0.01076 0.05174 0.01713 0.12160 0.00931 6 3S 1.19558 1.78105 -0.82311 -1.78011 0.98289 7 3PX 0.09728 0.20108 -0.10619 -0.69626 0.27272 8 3PY -0.21669 -0.73863 0.17768 0.14331 -0.16483 9 3PZ 0.23044 0.11085 -0.03050 -0.70165 0.04901 10 4XX 0.00146 0.00944 -0.00590 -0.00591 -0.04629 11 4YY -0.00557 -0.04088 0.00469 0.09246 -0.05716 12 4ZZ -0.02816 -0.03223 0.03391 -0.01840 0.05683 13 4XY -0.00585 -0.01964 0.00347 0.08273 -0.01810 14 4XZ -0.00394 -0.00935 0.01783 0.01968 -0.02808 15 4YZ -0.01053 -0.04164 0.00545 -0.01701 0.01906 16 2 C 1S 0.00452 -0.01307 -0.00843 0.01558 -0.01726 17 2S 0.29746 -0.43713 -0.29752 0.56416 -0.48746 18 2PX -0.02352 0.00573 -0.01866 0.08141 -0.10456 19 2PY -0.00011 -0.15834 0.03452 -0.01731 0.00853 20 2PZ 0.01076 0.05171 -0.01712 0.12160 0.00931 21 3S -1.19563 1.78097 0.82303 -1.78011 0.98287 22 3PX -0.09729 0.20110 0.10615 -0.69628 0.27272 23 3PY -0.21666 0.73864 0.17767 -0.14321 0.16481 24 3PZ -0.23049 0.11099 0.03050 -0.70169 0.04904 25 4XX -0.00146 0.00944 0.00590 -0.00591 -0.04629 26 4YY 0.00557 -0.04089 -0.00469 0.09245 -0.05716 27 4ZZ 0.02816 -0.03221 -0.03391 -0.01840 0.05682 28 4XY -0.00585 0.01964 0.00347 -0.08273 0.01810 29 4XZ 0.00394 -0.00935 -0.01783 0.01966 -0.02808 30 4YZ -0.01054 0.04164 0.00545 0.01704 -0.01909 31 3 C 1S -0.01109 0.00052 -0.01213 -0.02075 -0.01139 32 2S -0.20576 0.22186 0.11794 -0.82667 0.05678 33 2PX 0.13601 -0.11948 0.05080 0.03392 -0.00566 34 2PY -0.06597 -0.10437 0.05027 -0.03938 0.11170 35 2PZ -0.01930 -0.06912 -0.05425 0.10215 -0.05819 36 3S 0.97146 -1.03280 -0.34554 2.75150 -0.53093 37 3PX -0.49680 0.72866 0.16019 -0.40499 0.17690 38 3PY 0.01535 0.02754 -0.36816 -0.61474 -0.13554 39 3PZ -0.26054 0.58458 0.38295 -0.35695 0.16075 40 4XX 0.00484 -0.01554 -0.03850 0.02452 -0.01701 41 4YY -0.01069 0.04122 0.02372 -0.02318 0.02737 42 4ZZ -0.02254 -0.01535 0.00591 -0.09207 -0.01679 43 4XY 0.00820 0.00154 -0.00934 -0.02557 0.03091 44 4XZ 0.01037 -0.01610 -0.02318 0.01906 -0.03531 45 4YZ 0.00529 -0.00432 0.00485 0.02568 -0.05503 46 4 C 1S -0.00742 0.00466 0.01167 0.00040 -0.01168 47 2S -0.10487 -0.35511 -0.24800 -0.10972 -0.32102 48 2PX 0.06236 -0.01801 -0.07797 0.16479 -0.13877 49 2PY -0.06495 -0.23727 -0.11576 -0.08627 -0.02999 50 2PZ -0.05831 -0.26279 -0.10662 -0.06447 -0.03513 51 3S 0.35423 0.97378 0.33764 0.07212 0.77668 52 3PX 0.04624 0.02517 0.45748 -0.24332 0.42643 53 3PY 0.19433 0.39308 0.34359 0.18781 0.19189 54 3PZ 0.15293 0.59319 0.32316 0.51764 0.12851 55 4XX -0.01652 0.01517 0.02902 -0.01048 -0.01836 56 4YY -0.00418 -0.03536 -0.02047 -0.00065 -0.04197 57 4ZZ -0.00477 -0.02501 -0.03151 -0.00570 0.00573 58 4XY -0.01184 0.11388 0.01238 0.09028 0.03025 59 4XZ -0.01821 0.01734 0.02201 -0.02384 0.05804 60 4YZ 0.00533 0.01916 0.02011 0.04158 0.05641 61 5 C 1S 0.00742 0.00466 -0.01167 0.00040 -0.01168 62 2S 0.10489 -0.35511 0.24800 -0.10974 -0.32102 63 2PX -0.06236 -0.01801 0.07798 0.16479 -0.13877 64 2PY -0.06497 0.23732 -0.11577 0.08629 0.03000 65 2PZ 0.05831 -0.26274 0.10660 -0.06446 -0.03512 66 3S -0.35429 0.97378 -0.33766 0.07214 0.77665 67 3PX -0.04624 0.02519 -0.45749 -0.24330 0.42644 68 3PY 0.19437 -0.39316 0.34364 -0.18792 -0.19191 69 3PZ -0.15291 0.59312 -0.32308 0.51763 0.12847 70 4XX 0.01652 0.01517 -0.02902 -0.01048 -0.01836 71 4YY 0.00418 -0.03535 0.02046 -0.00064 -0.04195 72 4ZZ 0.00477 -0.02501 0.03152 -0.00571 0.00571 73 4XY -0.01184 -0.11389 0.01238 -0.09027 -0.03026 74 4XZ 0.01821 0.01732 -0.02201 -0.02385 0.05803 75 4YZ 0.00533 -0.01916 0.02011 -0.04158 -0.05642 76 6 C 1S 0.01109 0.00052 0.01213 -0.02075 -0.01139 77 2S 0.20574 0.22186 -0.11798 -0.82666 0.05679 78 2PX -0.13600 -0.11949 -0.05079 0.03392 -0.00566 79 2PY -0.06597 0.10438 0.05026 0.03936 -0.11168 80 2PZ 0.01929 -0.06910 0.05426 0.10215 -0.05821 81 3S -0.97142 -1.03279 0.34568 2.75147 -0.53094 82 3PX 0.49678 0.72867 -0.16020 -0.40498 0.17690 83 3PY 0.01532 -0.02765 -0.36807 0.61484 0.13551 84 3PZ 0.26053 0.58458 -0.38303 -0.35683 0.16078 85 4XX -0.00484 -0.01554 0.03850 0.02451 -0.01701 86 4YY 0.01068 0.04122 -0.02373 -0.02317 0.02736 87 4ZZ 0.02254 -0.01535 -0.00591 -0.09208 -0.01677 88 4XY 0.00821 -0.00154 -0.00934 0.02557 -0.03090 89 4XZ -0.01037 -0.01610 0.02318 0.01906 -0.03531 90 4YZ 0.00529 0.00433 0.00484 -0.02566 0.05504 91 7 H 1S -0.03480 -0.04339 0.08732 -0.10263 -0.02508 92 2S -0.14770 -0.35014 0.09979 -0.10682 -0.16502 93 8 H 1S 0.03480 -0.04339 -0.08733 -0.10263 -0.02508 94 2S 0.14771 -0.35013 -0.09979 -0.10682 -0.16502 95 9 H 1S -0.03656 0.12770 0.05125 0.10784 -0.09519 96 2S -0.20899 0.00666 0.25282 -0.29642 0.19271 97 10 H 1S -0.07031 0.43234 0.29347 0.14167 0.09253 98 2S -0.09407 -1.12722 -0.88191 -0.22935 -0.75496 99 11 H 1S 0.07029 0.43234 -0.29346 0.14168 0.09253 100 2S 0.09411 -1.12722 0.88191 -0.22940 -0.75495 101 12 H 1S 0.03656 0.12770 -0.05124 0.10784 -0.09519 102 2S 0.20899 0.00666 -0.25283 -0.29641 0.19271 103 13 H 1S -0.06510 0.07295 -0.17694 -0.05066 -0.00833 104 2S 0.28557 -0.46905 0.23002 -0.38041 -0.01449 105 14 H 1S 0.06509 0.07295 0.17694 -0.05067 -0.00834 106 2S -0.28554 -0.46906 -0.23003 -0.38039 -0.01450 107 15 C 1S 0.01055 -0.00075 0.00464 0.00903 0.01456 108 2S -0.10624 0.04446 -0.08644 -0.21100 0.32885 109 2PX 0.18610 -0.06361 0.06182 0.13919 -0.16816 110 2PY -0.18765 -0.06820 0.01287 -0.00796 0.05672 111 2PZ 0.04731 -0.09599 -0.13367 0.01315 0.05951 112 3S 1.28403 -0.24477 0.37748 0.44934 -0.04586 113 3PX -0.36660 0.04005 0.16549 0.21843 0.43587 114 3PY 1.23307 0.18473 0.21586 0.03854 -0.33712 115 3PZ 0.10737 0.17248 1.10042 0.11937 -0.13298 116 4XX 0.01129 0.00967 -0.04105 0.05139 -0.02851 117 4YY 0.01929 -0.00773 0.00394 -0.05471 0.04721 118 4ZZ 0.02236 0.00411 0.05028 0.04400 0.02867 119 4XY 0.00689 -0.01587 0.01312 0.01726 -0.01438 120 4XZ 0.07234 0.01511 0.01461 -0.01270 0.00873 121 4YZ 0.00020 0.04935 0.00215 -0.05334 -0.08907 122 16 C 1S -0.01055 -0.00075 -0.00464 0.00903 0.01455 123 2S 0.10624 0.04448 0.08643 -0.21100 0.32884 124 2PX -0.18610 -0.06362 -0.06182 0.13919 -0.16816 125 2PY -0.18764 0.06821 0.01285 0.00795 -0.05673 126 2PZ -0.04733 -0.09598 0.13368 0.01314 0.05950 127 3S -1.28403 -0.24486 -0.37747 0.44935 -0.04582 128 3PX 0.36660 0.04006 -0.16548 0.21843 0.43588 129 3PY 1.23309 -0.18471 0.21604 -0.03856 0.33712 130 3PZ -0.10717 0.17245 -1.10038 0.11941 -0.13291 131 4XX -0.01129 0.00967 0.04105 0.05139 -0.02851 132 4YY -0.01929 -0.00772 -0.00394 -0.05473 0.04718 133 4ZZ -0.02236 0.00410 -0.05028 0.04402 0.02869 134 4XY 0.00690 0.01587 0.01312 -0.01726 0.01438 135 4XZ -0.07234 0.01511 -0.01461 -0.01270 0.00874 136 4YZ 0.00020 -0.04935 0.00216 0.05332 0.08908 137 17 C 1S 0.00000 -0.00092 0.00000 0.02842 -0.03479 138 2S 0.00000 0.28488 0.00001 0.55397 -0.49368 139 2PX -0.00001 0.33915 0.00000 0.10081 -0.03317 140 2PY -0.25328 -0.00001 0.00513 0.00000 0.00000 141 2PZ -0.00002 0.09403 0.00000 -0.02669 0.02144 142 3S 0.00001 -0.94799 -0.00004 -1.65162 0.76637 143 3PX 0.00002 -1.00432 -0.00001 -0.29845 0.20766 144 3PY 0.75515 0.00003 0.36897 0.00002 0.00004 145 3PZ 0.00007 -0.17276 0.00003 -0.32313 -0.47149 146 4XX 0.00000 0.12183 0.00000 0.01971 -0.10749 147 4YY -0.00002 0.04730 -0.00001 0.02849 0.00338 148 4ZZ 0.00002 -0.11852 0.00001 0.01457 -0.03351 149 4XY 0.00344 0.00000 -0.14951 0.00001 0.00001 150 4XZ 0.00000 0.04083 -0.00001 -0.05198 -0.15567 151 4YZ 0.10160 0.00002 0.05825 0.00000 0.00000 152 18 H 1S -0.07751 -0.00129 -0.24503 0.08690 -0.02620 153 2S -0.14392 0.16900 -0.29770 -0.04612 -0.02372 154 19 H 1S 0.00001 -0.47958 0.00000 0.10583 -0.03824 155 2S -0.00002 1.02164 0.00001 0.55935 0.19922 156 20 H 1S 0.07752 -0.00128 0.24504 0.08689 -0.02620 157 2S 0.14391 0.16900 0.29770 -0.04613 -0.02373 158 21 O 1S -0.00630 -0.00082 -0.00159 0.00674 0.01302 159 2S -0.45995 -0.12935 0.00510 0.07666 0.21741 160 2PX -0.26734 -0.05530 -0.34318 -0.03168 0.07813 161 2PY 0.37356 0.06692 -0.25223 0.11475 -0.13219 162 2PZ 0.03926 0.06651 0.26340 -0.31445 -0.41607 163 3S 1.13271 0.11726 -0.18450 -0.24528 -0.75808 164 3PX 0.45549 0.15907 0.71568 0.24807 -0.11855 165 3PY -0.65944 -0.21086 0.38831 -0.20318 0.16313 166 3PZ -0.00456 -0.18379 -0.30368 0.61916 0.73049 167 4XX -0.12945 -0.07383 0.09944 0.01251 0.14772 168 4YY -0.09193 -0.03567 -0.04624 0.03108 -0.03212 169 4ZZ -0.21128 -0.01685 -0.04745 0.00726 0.08800 170 4XY -0.01516 -0.05139 0.01393 0.00630 0.04811 171 4XZ -0.00424 -0.00417 -0.06624 0.02076 0.00928 172 4YZ -0.01378 0.04621 0.00123 -0.01450 -0.02439 173 22 O 1S 0.00630 -0.00082 0.00159 0.00674 0.01302 174 2S 0.45995 -0.12934 -0.00510 0.07665 0.21741 175 2PX 0.26734 -0.05529 0.34317 -0.03169 0.07813 176 2PY 0.37357 -0.06692 -0.25219 -0.11468 0.13226 177 2PZ -0.03920 0.06650 -0.26345 -0.31446 -0.41606 178 3S -1.13271 0.11722 0.18449 -0.24528 -0.75809 179 3PX -0.45550 0.15906 -0.71566 0.24810 -0.11855 180 3PY -0.65944 0.21087 0.38827 0.20306 -0.16325 181 3PZ 0.00446 -0.18376 0.30377 0.61918 0.73048 182 4XX 0.12946 -0.07383 -0.09944 0.01252 0.14772 183 4YY 0.09194 -0.03565 0.04624 0.03108 -0.03213 184 4ZZ 0.21128 -0.01686 0.04745 0.00726 0.08801 185 4XY -0.01516 0.05139 0.01392 -0.00631 -0.04811 186 4XZ 0.00424 -0.00416 0.06624 0.02076 0.00927 187 4YZ -0.01380 -0.04621 0.00123 0.01451 0.02437 188 23 H 1S 0.00000 0.03440 0.00000 0.10102 -0.05016 189 2S -0.00001 0.62714 0.00001 0.47170 -0.32669 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15187 1.18946 1.20406 1.25129 1 1 C 1S -0.00257 -0.00064 -0.00168 -0.00951 -0.04030 2 2S -0.01234 -0.04095 -0.18484 -0.35371 -0.90581 3 2PX -0.00660 0.01633 0.00058 -0.08112 -0.03392 4 2PY -0.05891 0.07535 -0.04402 -0.07625 -0.00015 5 2PZ -0.05687 0.02486 0.05181 -0.11863 0.15854 6 3S -0.39187 0.43624 0.02566 -0.07392 3.44750 7 3PX 0.62437 -0.04843 0.10610 0.45836 -0.04316 8 3PY 0.22524 -0.32241 0.42596 -0.85453 0.19747 9 3PZ 1.03985 -0.08457 0.14547 0.27894 -0.77036 10 4XX -0.05803 -0.02318 -0.00626 -0.02533 -0.04051 11 4YY 0.00411 0.00953 -0.02824 -0.01240 -0.01613 12 4ZZ 0.06673 0.00581 0.02308 -0.00044 -0.03168 13 4XY 0.03514 0.01173 -0.11165 0.02841 -0.06143 14 4XZ -0.01242 0.00407 0.00681 -0.05165 -0.07665 15 4YZ 0.05348 -0.04260 0.12676 -0.00010 -0.01153 16 2 C 1S 0.00257 -0.00064 -0.00168 0.00951 0.04030 17 2S 0.01233 -0.04097 -0.18485 0.35371 0.90580 18 2PX 0.00660 0.01632 0.00058 0.08112 0.03392 19 2PY -0.05893 -0.07535 0.04401 -0.07627 -0.00012 20 2PZ 0.05686 0.02484 0.05181 0.11862 -0.15854 21 3S 0.39193 0.43623 0.02564 0.07392 -3.44749 22 3PX -0.62436 -0.04836 0.10611 -0.45836 0.04317 23 3PY 0.22545 0.32244 -0.42595 -0.85449 0.19734 24 3PZ -1.03982 -0.08443 0.14541 -0.27909 0.77039 25 4XX 0.05803 -0.02319 -0.00626 0.02532 0.04051 26 4YY -0.00413 0.00952 -0.02820 0.01240 0.01613 27 4ZZ -0.06671 0.00582 0.02305 0.00044 0.03167 28 4XY 0.03513 -0.01173 0.11165 0.02840 -0.06145 29 4XZ 0.01243 0.00407 0.00683 0.05166 0.07663 30 4YZ 0.05350 0.04260 -0.12677 -0.00010 -0.01153 31 3 C 1S -0.00786 -0.00318 0.00508 -0.02079 -0.00099 32 2S 0.40019 -0.27259 0.07670 -0.20123 -0.26943 33 2PX -0.03894 -0.16541 -0.02926 -0.02836 0.02098 34 2PY -0.29282 -0.05612 -0.10076 -0.33599 0.05173 35 2PZ -0.14140 -0.01242 0.08613 0.02014 0.06981 36 3S 0.28246 0.38115 -0.77926 1.58188 0.88746 37 3PX -0.01205 0.43413 -0.17041 0.24590 -0.56067 38 3PY 0.60806 0.03718 0.87173 1.77649 -0.14155 39 3PZ 0.63092 0.26680 -0.95539 -0.38335 -0.33211 40 4XX -0.02630 0.03273 -0.05385 0.00352 0.04307 41 4YY 0.02241 -0.01588 -0.01818 -0.13684 0.00393 42 4ZZ 0.02469 -0.04201 0.06166 0.08050 -0.04664 43 4XY -0.04113 0.01492 0.01869 0.05779 -0.05128 44 4XZ 0.10571 -0.00351 0.00813 0.01908 0.02178 45 4YZ 0.03878 0.01701 0.00907 0.02208 0.07804 46 4 C 1S 0.02841 -0.00262 -0.03867 -0.01356 0.01251 47 2S 0.38609 -0.05502 -0.80681 -0.18769 0.28717 48 2PX -0.08575 -0.01462 -0.11806 0.00197 -0.15112 49 2PY 0.01175 0.04197 0.04724 -0.04690 0.01425 50 2PZ 0.12783 0.10682 0.03618 -0.16542 0.03507 51 3S -1.27763 -0.35220 2.26076 1.55353 -0.91969 52 3PX 0.42653 -0.06763 0.04988 -0.38289 0.81662 53 3PY -0.53908 -0.16573 0.30004 -1.06521 0.24210 54 3PZ -0.56738 -0.04986 -0.52375 0.43532 -0.39218 55 4XX -0.01105 0.00147 0.00532 0.00944 -0.00450 56 4YY 0.01728 0.01412 -0.07309 0.01427 0.01316 57 4ZZ 0.05093 -0.02492 -0.05727 -0.03762 0.02264 58 4XY -0.00172 0.00970 -0.06090 -0.00515 -0.00754 59 4XZ -0.06508 -0.04526 -0.00091 0.04329 -0.09959 60 4YZ -0.03501 0.00097 -0.08693 -0.06297 -0.00481 61 5 C 1S -0.02841 -0.00262 -0.03867 0.01356 -0.01251 62 2S -0.38610 -0.05500 -0.80682 0.18766 -0.28716 63 2PX 0.08574 -0.01462 -0.11806 -0.00197 0.15112 64 2PY 0.01177 -0.04199 -0.04725 -0.04693 0.01426 65 2PZ -0.12782 0.10682 0.03617 0.16541 -0.03507 66 3S 1.27761 -0.35226 2.26082 -1.55344 0.91963 67 3PX -0.42652 -0.06760 0.04986 0.38289 -0.81661 68 3PY -0.53917 0.16579 -0.29991 -1.06515 0.24205 69 3PZ 0.56729 -0.04987 -0.52379 -0.43552 0.39223 70 4XX 0.01105 0.00147 0.00532 -0.00944 0.00450 71 4YY -0.01727 0.01412 -0.07311 -0.01426 -0.01316 72 4ZZ -0.05094 -0.02492 -0.05725 0.03760 -0.02264 73 4XY -0.00173 -0.00969 0.06090 -0.00514 -0.00756 74 4XZ 0.06508 -0.04526 -0.00089 -0.04329 0.09959 75 4YZ -0.03500 -0.00095 0.08693 -0.06298 -0.00481 76 6 C 1S 0.00786 -0.00318 0.00508 0.02079 0.00099 77 2S -0.40020 -0.27257 0.07670 0.20123 0.26942 78 2PX 0.03893 -0.16541 -0.02926 0.02836 -0.02098 79 2PY -0.29284 0.05615 0.10075 -0.33598 0.05174 80 2PZ 0.14135 -0.01242 0.08615 -0.02019 -0.06980 81 3S -0.28246 0.38121 -0.77921 -1.58191 -0.88742 82 3PX 0.01209 0.43411 -0.17040 -0.24590 0.56068 83 3PY 0.60817 -0.03730 -0.87163 1.77640 -0.14161 84 3PZ -0.63079 0.26681 -0.95555 0.38362 0.33211 85 4XX 0.02630 0.03273 -0.05385 -0.00352 -0.04307 86 4YY -0.02242 -0.01588 -0.01819 0.13683 -0.00395 87 4ZZ -0.02468 -0.04201 0.06166 -0.08049 0.04667 88 4XY -0.04111 -0.01492 -0.01869 0.05779 -0.05128 89 4XZ -0.10571 -0.00350 0.00813 -0.01907 -0.02179 90 4YZ 0.03878 -0.01701 -0.00909 0.02212 0.07803 91 7 H 1S 0.39924 -0.07303 0.14159 -0.05174 -0.37782 92 2S 0.39250 -0.13782 -0.02448 0.02725 -0.65756 93 8 H 1S -0.39925 -0.07300 0.14159 0.05175 0.37782 94 2S -0.39252 -0.13779 -0.02447 -0.02726 0.65757 95 9 H 1S -0.09839 0.04709 -0.13581 -0.54263 -0.05619 96 2S -0.29797 -0.20123 -0.30649 -0.82784 -0.06706 97 10 H 1S -0.00116 -0.08632 -0.10653 0.14367 -0.08679 98 2S 0.46205 0.24039 -0.36888 -0.08298 0.02836 99 11 H 1S 0.00116 -0.08632 -0.10653 -0.14368 0.08680 100 2S -0.46204 0.24042 -0.36888 0.08298 -0.02836 101 12 H 1S 0.09839 0.04707 -0.13583 0.54263 0.05619 102 2S 0.29796 -0.20126 -0.30652 0.82783 0.06706 103 13 H 1S -0.25515 -0.04425 -0.13640 0.08317 -0.18549 104 2S -0.49802 0.06688 -0.13533 0.21021 -0.35724 105 14 H 1S 0.25515 -0.04426 -0.13640 -0.08318 0.18550 106 2S 0.49802 0.06685 -0.13532 -0.21022 0.35725 107 15 C 1S -0.00048 0.02009 -0.00439 -0.00221 0.00740 108 2S -0.58325 0.13796 0.00676 -0.10221 0.25520 109 2PX 0.10248 0.04495 0.03917 0.09911 -0.16312 110 2PY -0.09994 0.07451 -0.06239 0.13996 0.04376 111 2PZ -0.10563 0.14718 0.11880 -0.07881 -0.13906 112 3S 2.40143 0.24812 0.10706 -0.94594 -0.57682 113 3PX 0.78355 0.10140 0.27616 -0.81592 1.00069 114 3PY 1.00189 -0.31987 0.36096 -0.65102 -0.10693 115 3PZ 0.95097 -0.09011 0.12060 -0.13878 1.11266 116 4XX 0.01185 0.09077 -0.08423 -0.02725 -0.08943 117 4YY 0.00068 0.00651 -0.02579 -0.00738 0.00790 118 4ZZ 0.01228 -0.04732 0.10287 -0.02354 0.11842 119 4XY 0.00287 -0.10458 -0.12490 -0.01383 -0.00737 120 4XZ -0.01115 -0.03154 -0.02073 -0.05655 0.02438 121 4YZ 0.00624 0.00932 0.02986 0.01878 0.03739 122 16 C 1S 0.00048 0.02009 -0.00439 0.00221 -0.00740 123 2S 0.58327 0.13792 0.00675 0.10221 -0.25519 124 2PX -0.10248 0.04496 0.03918 -0.09911 0.16312 125 2PY -0.09997 -0.07453 0.06236 0.13995 0.04374 126 2PZ 0.10563 0.14716 0.11881 0.07884 0.13906 127 3S -2.40141 0.24828 0.10703 0.94595 0.57681 128 3PX -0.78354 0.10143 0.27613 0.81593 -1.00068 129 3PY 1.00208 0.31983 -0.36096 -0.65105 -0.10675 130 3PZ -0.95081 -0.09000 0.12052 0.13867 -1.11267 131 4XX -0.01185 0.09077 -0.08423 0.02725 0.08944 132 4YY -0.00068 0.00651 -0.02578 0.00737 -0.00791 133 4ZZ -0.01228 -0.04732 0.10286 0.02355 -0.11841 134 4XY 0.00288 0.10459 0.12490 -0.01384 -0.00737 135 4XZ 0.01115 -0.03152 -0.02071 0.05655 -0.02438 136 4YZ 0.00624 -0.00931 -0.02989 0.01878 0.03741 137 17 C 1S 0.00000 -0.02222 0.04281 0.00000 0.00000 138 2S -0.00002 -0.30591 0.74471 0.00001 0.00001 139 2PX 0.00000 -0.06288 -0.29019 0.00000 0.00000 140 2PY 0.03742 0.00001 0.00000 0.00608 0.05645 141 2PZ 0.00000 -0.17970 -0.02055 0.00000 0.00000 142 3S 0.00003 0.52478 -1.16671 -0.00001 -0.00003 143 3PX -0.00002 -0.47165 0.39212 0.00000 0.00000 144 3PY 0.44389 -0.00007 0.00005 -0.60856 0.11056 145 3PZ 0.00006 0.72124 -0.41103 -0.00005 0.00001 146 4XX 0.00000 -0.00503 -0.00723 0.00000 0.00000 147 4YY 0.00001 0.04369 0.11024 -0.00001 0.00000 148 4ZZ -0.00002 -0.15104 0.01037 0.00001 0.00000 149 4XY -0.00361 0.00002 0.00000 0.01961 -0.07458 150 4XZ -0.00001 -0.20510 0.00422 0.00000 -0.00001 151 4YZ -0.07041 0.00002 0.00001 0.06270 0.01597 152 18 H 1S -0.19135 0.04903 0.24748 0.01472 -0.33499 153 2S -0.19977 -0.18494 -0.10069 0.16691 -0.34001 154 19 H 1S 0.00000 -0.03250 0.16193 0.00000 0.00000 155 2S -0.00002 -0.59696 0.58170 0.00000 0.00000 156 20 H 1S 0.19136 0.04902 0.24748 -0.01472 0.33499 157 2S 0.19976 -0.18495 -0.10069 -0.16692 0.34001 158 21 O 1S 0.00269 0.01389 0.01444 -0.00266 0.00396 159 2S -0.06934 0.27714 0.18831 -0.02841 0.01543 160 2PX -0.01717 -0.42867 -0.05314 0.14104 0.02065 161 2PY -0.03288 -0.16094 0.23465 -0.02805 -0.10515 162 2PZ -0.25404 0.11317 0.00026 0.24990 -0.09655 163 3S -0.37847 -0.66793 -0.37367 0.15499 -0.48048 164 3PX 0.38048 0.80385 0.10590 -0.46113 0.17372 165 3PY -0.01435 0.27312 -0.48025 0.08508 0.17059 166 3PZ 0.59735 -0.13616 0.11902 -0.65418 0.22174 167 4XX -0.03597 0.09333 0.09070 0.00384 0.08651 168 4YY -0.04313 -0.04860 0.04922 -0.00813 -0.01467 169 4ZZ 0.01532 0.20006 0.00758 -0.00427 -0.05320 170 4XY 0.00151 -0.01899 0.01811 0.03716 0.00458 171 4XZ -0.05751 0.05031 0.05262 -0.02286 -0.06195 172 4YZ -0.00740 0.05373 0.06411 0.03456 0.00272 173 22 O 1S -0.00269 0.01389 0.01444 0.00266 -0.00396 174 2S 0.06936 0.27713 0.18831 0.02842 -0.01543 175 2PX 0.01714 -0.42867 -0.05314 -0.14105 -0.02065 176 2PY -0.03291 0.16093 -0.23465 -0.02801 -0.10517 177 2PZ 0.25404 0.11318 0.00023 -0.24990 0.09653 178 3S 0.37841 -0.66795 -0.37367 -0.15501 0.48050 179 3PX -0.38043 0.80387 0.10588 0.46115 -0.17371 180 3PY -0.01427 -0.27310 0.48023 0.08498 0.17062 181 3PZ -0.59736 -0.13618 0.11908 0.65419 -0.22170 182 4XX 0.03598 0.09333 0.09070 -0.00384 -0.08651 183 4YY 0.04313 -0.04859 0.04924 0.00812 0.01468 184 4ZZ -0.01531 0.20004 0.00756 0.00428 0.05320 185 4XY 0.00150 0.01898 -0.01812 0.03715 0.00457 186 4XZ 0.05751 0.05031 0.05262 0.02287 0.06195 187 4YZ -0.00739 -0.05378 -0.06410 0.03455 0.00272 188 23 H 1S 0.00001 0.23488 0.17262 0.00000 0.00000 189 2S 0.00000 -0.03988 -0.11354 0.00000 0.00001 116 117 118 119 120 V V V V V Eigenvalues -- 1.26438 1.36726 1.37046 1.39832 1.42703 1 1 C 1S 0.01227 0.00327 0.02934 -0.00468 0.01971 2 2S 0.34843 0.08644 0.56179 -0.12318 0.40198 3 2PX 0.10634 0.06344 0.03727 0.02798 0.00539 4 2PY 0.08208 0.00686 -0.01954 -0.06954 -0.02613 5 2PZ 0.10521 0.03889 0.07486 -0.05099 0.09509 6 3S -0.62709 -0.21193 -1.90852 0.03511 -2.71360 7 3PX -0.43453 -0.22860 -0.59653 0.29046 -0.89816 8 3PY -0.20118 -0.02398 -0.41214 0.41383 -1.27114 9 3PZ -0.40485 -0.17279 -0.25752 0.39863 -1.29783 10 4XX -0.00587 -0.15178 0.12142 -0.19839 0.08177 11 4YY 0.06995 0.04890 0.00223 -0.04166 -0.00143 12 4ZZ -0.05186 0.09874 -0.07754 0.22899 -0.07056 13 4XY -0.00325 0.04170 -0.00472 0.02389 0.01590 14 4XZ 0.04866 0.05834 0.05477 -0.06702 -0.00705 15 4YZ -0.01379 -0.05323 0.02857 -0.11102 -0.01237 16 2 C 1S 0.01227 0.00327 -0.02934 -0.00468 -0.01971 17 2S 0.34845 0.08646 -0.56178 -0.12318 -0.40197 18 2PX 0.10634 0.06344 -0.03727 0.02798 -0.00539 19 2PY -0.08210 -0.00687 -0.01953 0.06955 -0.02612 20 2PZ 0.10520 0.03889 -0.07486 -0.05098 -0.09509 21 3S -0.62718 -0.21199 1.90852 0.03509 2.71362 22 3PX -0.43453 -0.22861 0.59651 0.29045 0.89815 23 3PY 0.20126 0.02402 -0.41217 -0.41388 -1.27134 24 3PZ -0.40480 -0.17278 0.25744 0.39855 1.29761 25 4XX -0.00587 -0.15177 -0.12143 -0.19839 -0.08176 26 4YY 0.06995 0.04889 -0.00224 -0.04169 0.00143 27 4ZZ -0.05185 0.09875 0.07755 0.22902 0.07055 28 4XY 0.00324 -0.04171 -0.00471 -0.02388 0.01590 29 4XZ 0.04866 0.05833 -0.05477 -0.06702 0.00705 30 4YZ 0.01382 0.05321 0.02856 0.11097 -0.01239 31 3 C 1S 0.02392 -0.00358 -0.00680 0.03049 0.00199 32 2S 0.22078 -0.04076 -0.01121 0.38682 0.13134 33 2PX 0.09516 0.00153 0.04873 0.08862 0.04657 34 2PY 0.00774 0.08481 0.06383 -0.07741 -0.07143 35 2PZ 0.03998 0.00428 -0.04316 0.00875 0.01689 36 3S -0.72300 -0.19883 -0.47765 -1.03675 -1.48667 37 3PX -0.49242 -0.09124 -0.14371 -0.30318 0.17448 38 3PY -0.42626 -0.06683 -0.29144 0.47583 1.33037 39 3PZ -0.58844 -0.42143 0.46350 -0.25028 -0.27816 40 4XX -0.00536 0.08798 0.09580 0.19334 0.03485 41 4YY 0.06300 0.05498 0.02953 -0.05788 -0.06507 42 4ZZ -0.04324 -0.15720 -0.12102 -0.07243 -0.00195 43 4XY -0.00115 0.05293 -0.03346 0.04489 0.05938 44 4XZ 0.07337 0.05166 0.01904 -0.00070 0.01862 45 4YZ -0.00018 -0.09273 -0.07980 -0.16044 -0.08187 46 4 C 1S -0.04202 -0.03924 0.02434 0.00601 -0.02050 47 2S -0.63840 -0.61955 0.27398 0.37918 -0.22957 48 2PX 0.18527 -0.11429 -0.14704 -0.00641 -0.08325 49 2PY -0.01363 0.10161 0.05219 -0.06501 -0.01095 50 2PZ 0.00056 0.20120 0.08272 -0.15538 -0.03369 51 3S 1.87479 1.34537 -1.31495 0.00661 1.58445 52 3PX -0.37820 0.22828 0.85201 -0.05289 0.28350 53 3PY 0.53886 0.18632 0.30571 0.18201 -0.32677 54 3PZ -0.11625 -0.40836 -0.29580 -0.02065 -0.36249 55 4XX -0.07911 -0.08721 -0.02649 -0.07008 -0.05194 56 4YY -0.04829 -0.05727 -0.01105 0.00785 0.00258 57 4ZZ 0.01805 0.07240 0.07500 0.09488 0.03742 58 4XY 0.09059 0.07409 0.04411 0.07259 0.02521 59 4XZ -0.00970 -0.00424 -0.08844 0.00113 -0.00857 60 4YZ -0.01383 0.13571 0.04110 0.00569 -0.02386 61 5 C 1S -0.04202 -0.03924 -0.02434 0.00601 0.02050 62 2S -0.63841 -0.61954 -0.27402 0.37917 0.22957 63 2PX 0.18527 -0.11429 0.14704 -0.00640 0.08325 64 2PY 0.01363 -0.10165 0.05219 0.06504 -0.01095 65 2PZ 0.00056 0.20118 -0.08270 -0.15537 0.03369 66 3S 1.87483 1.34530 1.31502 0.00666 -1.58447 67 3PX -0.37822 0.22831 -0.85200 -0.05290 -0.28351 68 3PY -0.53883 -0.18626 0.30566 -0.18200 -0.32683 69 3PZ -0.11633 -0.40839 0.29584 -0.02068 0.36244 70 4XX -0.07911 -0.08721 0.02649 -0.07008 0.05195 71 4YY -0.04830 -0.05723 0.01103 0.00785 -0.00258 72 4ZZ 0.01806 0.07236 -0.07499 0.09488 -0.03743 73 4XY -0.09059 -0.07409 0.04410 -0.07259 0.02522 74 4XZ -0.00971 -0.00426 0.08845 0.00112 0.00857 75 4YZ 0.01382 -0.13573 0.04111 -0.00571 -0.02386 76 6 C 1S 0.02392 -0.00358 0.00680 0.03049 -0.00199 77 2S 0.22079 -0.04077 0.01120 0.38682 -0.13134 78 2PX 0.09516 0.00153 -0.04874 0.08862 -0.04657 79 2PY -0.00774 -0.08481 0.06382 0.07741 -0.07143 80 2PZ 0.03997 0.00426 0.04316 0.00876 -0.01690 81 3S -0.72302 -0.19881 0.47764 -1.03677 1.48666 82 3PX -0.49240 -0.09125 0.14372 -0.30318 -0.17447 83 3PY 0.42634 0.06692 -0.29135 -0.47581 1.33034 84 3PZ -0.58836 -0.42139 -0.46356 -0.25037 0.27840 85 4XX -0.00536 0.08798 -0.09580 0.19334 -0.03485 86 4YY 0.06299 0.05495 -0.02951 -0.05793 0.06510 87 4ZZ -0.04324 -0.15718 0.12099 -0.07238 0.00193 88 4XY 0.00114 -0.05294 -0.03346 -0.04489 0.05938 89 4XZ 0.07337 0.05165 -0.01905 -0.00070 -0.01861 90 4YZ 0.00020 0.09277 -0.07983 0.16045 -0.08186 91 7 H 1S -0.06928 -0.04134 0.01236 0.19130 -0.23532 92 2S -0.22115 -0.14767 -0.04670 0.24158 -0.43630 93 8 H 1S -0.06927 -0.04133 -0.01237 0.19129 0.23532 94 2S -0.22113 -0.14767 0.04669 0.24157 0.43629 95 9 H 1S 0.24039 -0.07986 0.12279 0.04810 -0.16431 96 2S 0.14701 0.05386 0.12045 -0.05598 -0.33933 97 10 H 1S -0.15627 -0.17612 -0.07100 -0.03534 -0.13018 98 2S -0.12896 -0.30982 -0.06198 0.14642 -0.17673 99 11 H 1S -0.15627 -0.17612 0.07099 -0.03534 0.13018 100 2S -0.12896 -0.30982 0.06196 0.14642 0.17673 101 12 H 1S 0.24038 -0.07986 -0.12280 0.04809 0.16431 102 2S 0.14700 0.05386 -0.12044 -0.05599 0.33934 103 13 H 1S -0.17103 -0.21642 -0.17262 0.02049 0.00124 104 2S -0.47087 0.11149 -0.39324 0.00469 -0.05608 105 14 H 1S -0.17102 -0.21642 0.17261 0.02049 -0.00124 106 2S -0.47086 0.11148 0.39325 0.00470 0.05608 107 15 C 1S -0.01131 0.01609 -0.02503 -0.02890 -0.00973 108 2S -0.31841 0.38220 -0.34932 -0.50951 -0.36848 109 2PX 0.13207 -0.07670 0.03631 0.15009 0.07914 110 2PY 0.11107 0.03982 -0.00258 -0.04252 0.06978 111 2PZ 0.01300 0.17797 -0.08799 -0.10661 0.00336 112 3S 0.36096 -0.57839 1.52649 1.15112 1.28483 113 3PX -0.44560 -0.20675 -0.42035 0.05036 0.35537 114 3PY -0.23832 -0.11249 1.91650 -0.10738 -0.33830 115 3PZ -0.24852 -0.51310 0.14201 0.49904 -0.18249 116 4XX -0.14370 -0.02776 -0.15320 -0.13926 0.01106 117 4YY 0.02601 0.05754 0.01375 -0.09250 -0.00072 118 4ZZ 0.02872 -0.01609 0.08836 0.22954 0.00630 119 4XY -0.12678 0.24440 0.03358 -0.07519 -0.01117 120 4XZ -0.04360 0.17103 -0.07166 -0.01104 -0.02497 121 4YZ -0.00763 -0.10538 0.00055 -0.09715 -0.09739 122 16 C 1S -0.01131 0.01609 0.02503 -0.02890 0.00973 123 2S -0.31842 0.38218 0.34934 -0.50951 0.36848 124 2PX 0.13208 -0.07670 -0.03631 0.15010 -0.07914 125 2PY -0.11107 -0.03985 -0.00260 0.04254 0.06978 126 2PZ 0.01299 0.17796 0.08800 -0.10660 -0.00334 127 3S 0.36097 -0.57832 -1.52653 1.15111 -1.28483 128 3PX -0.44562 -0.20678 0.42034 0.05036 -0.35536 129 3PY 0.23837 0.11249 1.91653 0.10731 -0.33833 130 3PZ -0.24850 -0.51308 -0.14171 0.49906 0.18243 131 4XX -0.14369 -0.02777 0.15320 -0.13925 -0.01106 132 4YY 0.02601 0.05751 -0.01374 -0.09253 0.00075 133 4ZZ 0.02872 -0.01606 -0.08836 0.22957 -0.00633 134 4XY 0.12679 -0.24443 0.03355 0.07520 -0.01118 135 4XZ -0.04358 0.17099 0.07168 -0.01103 0.02497 136 4YZ 0.00763 0.10539 0.00057 0.09709 -0.09739 137 17 C 1S -0.05236 -0.00938 0.00000 0.02836 0.00000 138 2S -0.82045 0.04652 0.00000 0.32653 0.00000 139 2PX -0.05163 0.02870 0.00000 -0.04113 0.00000 140 2PY 0.00000 0.00000 -0.17746 0.00000 0.06158 141 2PZ 0.00186 0.03014 -0.00001 0.01052 0.00001 142 3S 2.59783 -0.03930 0.00000 -1.08389 -0.00001 143 3PX 0.02737 -0.30926 -0.00001 0.26542 0.00000 144 3PY 0.00003 0.00001 -0.98892 -0.00001 0.27154 145 3PZ -0.30549 0.12314 -0.00008 0.05740 0.00003 146 4XX -0.08368 0.07466 0.00000 0.08345 0.00000 147 4YY 0.10588 -0.07446 -0.00003 -0.00386 -0.00004 148 4ZZ -0.08516 -0.01009 0.00002 -0.05404 0.00004 149 4XY 0.00000 -0.00001 0.06800 0.00000 -0.36301 150 4XZ -0.07623 0.12743 0.00001 -0.04458 -0.00003 151 4YZ 0.00002 -0.00001 0.16856 0.00001 0.29105 152 18 H 1S -0.00536 -0.04458 -0.14582 -0.04191 0.15841 153 2S -0.37752 -0.19569 -0.29933 -0.02646 0.29771 154 19 H 1S -0.24468 -0.12874 0.00000 0.14238 0.00000 155 2S -0.15172 0.08191 0.00000 0.16888 0.00000 156 20 H 1S -0.00535 -0.04459 0.14582 -0.04191 -0.15841 157 2S -0.37751 -0.19570 0.29932 -0.02645 -0.29771 158 21 O 1S 0.01455 -0.01718 0.00038 0.01509 0.01366 159 2S 0.05297 -0.18686 -0.11897 0.14237 0.27636 160 2PX 0.21546 -0.03749 0.30921 -0.07767 -0.05403 161 2PY -0.04586 0.02606 0.10715 -0.03030 0.03015 162 2PZ 0.11008 0.11038 0.23823 -0.01673 -0.19734 163 3S -0.51428 0.73228 0.07774 -0.51186 -0.78420 164 3PX -0.58259 -0.02970 -0.94671 0.49716 0.27074 165 3PY -0.07590 0.04239 -0.50109 0.07285 -0.00227 166 3PZ -0.39602 -0.27905 -0.86018 0.18069 0.64923 167 4XX 0.11643 -0.05523 0.01920 0.19803 0.23075 168 4YY -0.11172 0.05172 0.03159 0.00871 0.05935 169 4ZZ 0.09475 -0.18561 -0.12792 -0.06364 -0.07491 170 4XY 0.06692 -0.08983 0.06571 -0.06216 0.20190 171 4XZ -0.02394 -0.00086 -0.10049 -0.04650 0.06398 172 4YZ 0.07710 -0.01147 0.05917 0.12313 -0.19153 173 22 O 1S 0.01455 -0.01718 -0.00038 0.01509 -0.01366 174 2S 0.05297 -0.18687 0.11896 0.14237 -0.27636 175 2PX 0.21546 -0.03747 -0.30921 -0.07767 0.05403 176 2PY 0.04584 -0.02608 0.10719 0.03030 0.03012 177 2PZ 0.11009 0.11039 -0.23821 -0.01672 0.19735 178 3S -0.51428 0.73230 -0.07770 -0.51187 0.78420 179 3PX -0.58259 -0.02974 0.94670 0.49717 -0.27073 180 3PY 0.07597 -0.04232 -0.50124 -0.07288 -0.00217 181 3PZ -0.39601 -0.27910 0.86008 0.18068 -0.64923 182 4XX 0.11643 -0.05523 -0.01920 0.19803 -0.23075 183 4YY -0.11170 0.05172 -0.03160 0.00875 -0.05929 184 4ZZ 0.09473 -0.18561 0.12793 -0.06367 0.07485 185 4XY -0.06692 0.08982 0.06569 0.06217 0.20191 186 4XZ -0.02395 -0.00085 0.10050 -0.04649 -0.06395 187 4YZ -0.07714 0.01152 0.05914 -0.12312 -0.19156 188 23 H 1S -0.23101 0.05449 0.00000 0.04442 0.00000 189 2S -0.48222 0.12573 0.00000 -0.00444 0.00000 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43859 1.47573 1.49204 1.52643 1 1 C 1S -0.00001 -0.03416 0.00420 0.00385 0.00339 2 2S -0.06270 -0.63087 -0.15345 0.09939 -0.13751 3 2PX 0.05033 -0.00827 -0.08895 0.03796 -0.19639 4 2PY -0.06090 -0.00128 -0.08887 0.00144 -0.07035 5 2PZ -0.08099 -0.14289 -0.10378 0.05481 -0.03983 6 3S -0.34781 4.16381 -0.46488 -1.29765 -0.48093 7 3PX 0.08190 1.46137 0.15016 -0.99537 0.17978 8 3PY 0.49779 2.49433 0.54010 0.16348 0.59548 9 3PZ 0.27503 2.11335 0.14302 -1.13911 0.31877 10 4XX -0.21123 -0.12329 0.07433 -0.14259 0.17050 11 4YY 0.00853 0.00994 0.00939 0.01634 -0.07030 12 4ZZ 0.16875 0.11278 -0.07828 0.12414 -0.07491 13 4XY -0.03955 -0.01267 -0.09507 -0.01622 0.42478 14 4XZ 0.00125 -0.00782 -0.00429 -0.04653 0.09823 15 4YZ -0.03352 0.02773 0.17963 -0.03405 -0.26609 16 2 C 1S -0.00001 0.03416 0.00420 -0.00385 0.00339 17 2S -0.06269 0.63087 -0.15346 -0.09939 -0.13751 18 2PX 0.05033 0.00826 -0.08895 -0.03796 -0.19639 19 2PY 0.06092 -0.00130 0.08889 0.00145 0.07036 20 2PZ -0.08098 0.14289 -0.10377 -0.05481 -0.03982 21 3S -0.34792 -4.16380 -0.46483 1.29762 -0.48091 22 3PX 0.08186 -1.46136 0.15017 0.99537 0.17978 23 3PY -0.49777 2.49470 -0.54018 0.16327 -0.59556 24 3PZ 0.27489 -2.11294 0.14295 1.13914 0.31867 25 4XX -0.21122 0.12330 0.07432 0.14260 0.17050 26 4YY 0.00852 -0.00995 0.00944 -0.01633 -0.07037 27 4ZZ 0.16876 -0.11278 -0.07832 -0.12415 -0.07483 28 4XY 0.03955 -0.01268 0.09507 -0.01623 -0.42479 29 4XZ 0.00126 0.00782 -0.00428 0.04653 0.09816 30 4YZ 0.03349 0.02775 -0.17961 -0.03403 0.26609 31 3 C 1S -0.00106 -0.00081 -0.03063 0.03114 -0.00607 32 2S 0.01600 -0.20901 -0.35371 0.64133 0.04275 33 2PX 0.05015 -0.19411 -0.06786 0.11834 -0.00947 34 2PY -0.07909 0.06704 -0.03649 -0.04191 -0.03941 35 2PZ -0.00581 -0.09660 0.03728 -0.03271 0.02640 36 3S -0.02197 2.13876 1.31295 -2.40625 -0.17834 37 3PX -0.27392 0.16722 -0.12628 0.12801 -0.23794 38 3PY 0.49500 -1.88728 0.33185 0.76041 0.54538 39 3PZ -0.38776 0.68911 0.03805 0.54799 -0.83984 40 4XX 0.14740 -0.03027 -0.03533 -0.20758 0.05016 41 4YY -0.04488 0.07788 0.03739 0.07440 0.00713 42 4ZZ -0.11627 -0.00339 -0.03369 0.14438 -0.06457 43 4XY -0.01053 -0.03766 -0.25411 -0.00261 -0.01535 44 4XZ 0.10690 -0.01953 0.18614 -0.00472 0.01448 45 4YZ -0.10253 0.14851 0.08578 0.09061 0.06503 46 4 C 1S -0.00878 0.01125 0.02547 0.00802 -0.01519 47 2S -0.07679 0.10902 0.31942 0.14603 -0.17855 48 2PX -0.11641 0.14119 -0.01977 -0.00557 -0.05065 49 2PY -0.01540 0.00988 -0.01877 -0.03489 0.04837 50 2PZ -0.02684 0.05508 0.00835 -0.10762 -0.09707 51 3S 0.60615 -1.66291 -0.92396 0.13045 0.98789 52 3PX 0.27273 -0.75647 0.15990 0.29081 0.03772 53 3PY 0.14026 0.05675 -0.25709 -0.06389 0.19495 54 3PZ -0.15553 0.73083 0.07793 -0.12548 -0.26382 55 4XX -0.08181 0.09646 -0.15999 -0.01250 0.03918 56 4YY -0.02740 0.00412 0.03120 0.01739 0.05399 57 4ZZ 0.09955 -0.10359 0.15502 0.01155 -0.09878 58 4XY 0.16104 -0.02405 0.28765 -0.04551 0.05583 59 4XZ -0.09813 0.01797 -0.20212 0.06224 -0.13137 60 4YZ -0.04304 0.01000 -0.06546 -0.02535 -0.19130 61 5 C 1S -0.00878 -0.01125 0.02547 -0.00802 -0.01519 62 2S -0.07679 -0.10902 0.31943 -0.14601 -0.17854 63 2PX -0.11641 -0.14119 -0.01976 0.00557 -0.05065 64 2PY 0.01540 0.00989 0.01877 -0.03490 -0.04835 65 2PZ -0.02684 -0.05507 0.00835 0.10761 -0.09708 66 3S 0.60619 1.66288 -0.92397 -0.13048 0.98788 67 3PX 0.27275 0.75646 0.15989 -0.29080 0.03772 68 3PY -0.14024 0.05689 0.25708 -0.06390 -0.19491 69 3PZ -0.15557 -0.73082 0.07799 0.12547 -0.26385 70 4XX -0.08181 -0.09646 -0.15999 0.01250 0.03918 71 4YY -0.02742 -0.00412 0.03118 -0.01738 0.05393 72 4ZZ 0.09957 0.10359 0.15504 -0.01155 -0.09872 73 4XY -0.16103 -0.02404 -0.28761 -0.04551 -0.05581 74 4XZ -0.09816 -0.01797 -0.20216 -0.06225 -0.13138 75 4YZ 0.04302 0.00997 0.06543 -0.02534 0.19133 76 6 C 1S -0.00106 0.00081 -0.03063 -0.03114 -0.00607 77 2S 0.01601 0.20899 -0.35370 -0.64134 0.04275 78 2PX 0.05016 0.19410 -0.06786 -0.11834 -0.00947 79 2PY 0.07910 0.06702 0.03648 -0.04192 0.03941 80 2PZ -0.00579 0.09661 0.03729 0.03270 0.02640 81 3S -0.02203 -2.13873 1.31293 2.40629 -0.17835 82 3PX -0.27393 -0.16721 -0.12627 -0.12801 -0.23794 83 3PY -0.49498 -1.88716 -0.33184 0.76050 -0.54523 84 3PZ -0.38786 -0.68942 0.03802 -0.54787 -0.83992 85 4XX 0.14740 0.03027 -0.03533 0.20758 0.05016 86 4YY -0.04492 -0.07792 0.03742 -0.07443 0.00715 87 4ZZ -0.11624 0.00344 -0.03371 -0.14435 -0.06459 88 4XY 0.01051 -0.03766 0.25408 -0.00261 0.01535 89 4XZ 0.10691 0.01952 0.18618 0.00472 0.01448 90 4YZ 0.10255 0.14849 -0.08577 0.09062 -0.06501 91 7 H 1S 0.17031 0.44255 0.09235 -0.12979 0.09592 92 2S 0.18616 0.85216 0.23702 -0.35059 0.29642 93 8 H 1S 0.17030 -0.44256 0.09235 0.12979 0.09592 94 2S 0.18613 -0.85217 0.23703 0.35060 0.29642 95 9 H 1S -0.06466 0.25066 -0.19617 0.00855 -0.13868 96 2S -0.22009 0.43219 -0.27305 -0.00670 -0.19650 97 10 H 1S -0.01750 0.18248 0.06175 0.03251 -0.07638 98 2S -0.28471 0.32812 0.15940 -0.17296 -0.09892 99 11 H 1S -0.01750 -0.18247 0.06175 -0.03251 -0.07638 100 2S -0.28472 -0.32811 0.15941 0.17296 -0.09892 101 12 H 1S -0.06466 -0.25066 -0.19616 -0.00856 -0.13868 102 2S -0.22010 -0.43219 -0.27305 0.00669 -0.19650 103 13 H 1S -0.01879 0.13076 0.14749 -0.17149 -0.01190 104 2S 0.07832 0.20086 0.12145 -0.03244 -0.03454 105 14 H 1S -0.01879 -0.13076 0.14749 0.17149 -0.01190 106 2S 0.07832 -0.20086 0.12146 0.03245 -0.03454 107 15 C 1S -0.00381 -0.01660 0.00716 0.02111 -0.00047 108 2S 0.00439 0.08828 0.14033 0.09086 0.17218 109 2PX 0.01503 -0.10459 -0.06916 0.00587 -0.07964 110 2PY -0.03599 -0.01779 0.00621 -0.03433 -0.05614 111 2PZ 0.01499 0.08279 0.02820 0.02016 0.02916 112 3S -0.11255 0.18952 -0.34454 0.74529 -0.30776 113 3PX -0.06453 0.01932 0.08187 0.98327 0.21227 114 3PY 0.12179 0.28259 0.09933 0.90154 0.22880 115 3PZ -0.07462 -0.57124 -0.02744 0.70295 0.03658 116 4XX 0.21502 -0.10737 -0.09949 0.02322 -0.07297 117 4YY -0.00057 -0.00398 0.03984 0.00395 0.03297 118 4ZZ -0.22862 0.06503 0.04314 0.06359 0.00140 119 4XY -0.14658 -0.01616 0.06084 -0.00408 -0.02554 120 4XZ -0.02638 0.04680 0.02054 -0.01962 0.01797 121 4YZ 0.19403 -0.04291 -0.07857 0.04873 0.01806 122 16 C 1S -0.00381 0.01660 0.00716 -0.02111 -0.00047 123 2S 0.00439 -0.08827 0.14034 -0.09085 0.17218 124 2PX 0.01503 0.10459 -0.06916 -0.00587 -0.07965 125 2PY 0.03599 -0.01778 -0.00622 -0.03433 0.05614 126 2PZ 0.01499 -0.08279 0.02821 -0.02016 0.02917 127 3S -0.11259 -0.18954 -0.34455 -0.74530 -0.30776 128 3PX -0.06454 -0.01932 0.08188 -0.98327 0.21228 129 3PY -0.12176 0.28250 -0.09932 0.90165 -0.22882 130 3PZ -0.07461 0.57128 -0.02745 -0.70279 0.03655 131 4XX 0.21502 0.10737 -0.09949 -0.02322 -0.07297 132 4YY -0.00052 0.00399 0.03981 -0.00397 0.03297 133 4ZZ -0.22868 -0.06504 0.04317 -0.06357 0.00140 134 4XY 0.14659 -0.01617 -0.06084 -0.00408 0.02554 135 4XZ -0.02636 -0.04680 0.02053 0.01962 0.01797 136 4YZ -0.19399 -0.04288 0.07857 0.04874 -0.01806 137 17 C 1S 0.00074 0.00000 -0.00743 0.00000 -0.00682 138 2S 0.01634 0.00000 -0.12548 0.00000 -0.07193 139 2PX -0.00488 0.00000 0.01573 0.00000 -0.06208 140 2PY 0.00000 -0.03485 0.00001 -0.22520 0.00000 141 2PZ 0.03081 0.00000 -0.04164 -0.00002 -0.01870 142 3S 0.03849 0.00001 0.46531 0.00001 0.66529 143 3PX 0.12278 -0.00001 -0.11298 0.00000 0.01771 144 3PY 0.00002 -0.28309 -0.00001 -0.72635 0.00002 145 3PZ -0.34182 -0.00002 0.18419 -0.00006 -0.18306 146 4XX -0.09718 0.00000 0.02632 0.00000 -0.03335 147 4YY 0.02025 -0.00004 0.02671 -0.00001 0.04150 148 4ZZ 0.08013 0.00004 -0.04832 0.00001 -0.00088 149 4XY -0.00001 -0.21199 0.00000 0.06641 0.00000 150 4XZ 0.03031 -0.00002 -0.04432 0.00001 0.03235 151 4YZ 0.00000 0.27131 0.00001 0.09134 0.00000 152 18 H 1S -0.01359 0.10258 0.05904 -0.24379 0.04609 153 2S 0.03318 0.14197 0.06968 -0.38025 0.11083 154 19 H 1S 0.01683 0.00000 -0.03692 0.00000 -0.03038 155 2S 0.19134 -0.00001 -0.23564 0.00000 -0.00640 156 20 H 1S -0.01359 -0.10258 0.05904 0.24379 0.04609 157 2S 0.03317 -0.14197 0.06968 0.38026 0.11083 158 21 O 1S -0.00041 0.00261 -0.00128 0.05076 0.01116 159 2S -0.04572 -0.00002 0.00732 0.82332 0.14873 160 2PX 0.08892 0.12812 0.00097 0.02277 0.03664 161 2PY 0.02576 0.04648 0.00151 0.19767 0.05598 162 2PZ -0.02727 0.03065 0.04204 0.07315 -0.00273 163 3S 0.09525 0.03239 -0.00497 -2.36689 -0.47568 164 3PX -0.27627 -0.39649 -0.05286 -0.04332 -0.15543 165 3PY -0.09984 -0.14710 -0.02811 -0.79108 -0.27395 166 3PZ 0.13894 -0.08189 -0.17961 -0.16067 -0.03698 167 4XX -0.22357 0.16256 0.08906 0.13915 0.05502 168 4YY 0.02324 0.01326 -0.04505 0.39742 0.04834 169 4ZZ 0.15850 -0.16976 -0.04356 0.10225 0.01049 170 4XY 0.08473 0.11689 -0.01309 -0.03642 0.01813 171 4XZ 0.08443 -0.00773 -0.03149 0.15583 0.03348 172 4YZ -0.12886 -0.05688 0.06727 0.03019 0.01965 173 22 O 1S -0.00041 -0.00261 -0.00128 -0.05076 0.01116 174 2S -0.04572 0.00002 0.00733 -0.82332 0.14874 175 2PX 0.08892 -0.12812 0.00097 -0.02277 0.03664 176 2PY -0.02575 0.04649 -0.00152 0.19768 -0.05598 177 2PZ -0.02727 -0.03064 0.04204 -0.07312 -0.00274 178 3S 0.09527 -0.03238 -0.00500 2.36688 -0.47570 179 3PX -0.27625 0.39649 -0.05286 0.04331 -0.15543 180 3PY 0.09981 -0.14711 0.02815 -0.79110 0.27397 181 3PZ 0.13895 0.08185 -0.17961 0.16053 -0.03693 182 4XX -0.22358 -0.16255 0.08906 -0.13915 0.05502 183 4YY 0.02320 -0.01324 -0.04502 -0.39743 0.04835 184 4ZZ 0.15855 0.16973 -0.04358 -0.10224 0.01049 185 4XY -0.08474 0.11690 0.01309 -0.03639 -0.01813 186 4XZ 0.08442 0.00775 -0.03148 -0.15584 0.03348 187 4YZ 0.12883 -0.05692 -0.06727 0.03013 -0.01964 188 23 H 1S -0.02911 0.00000 -0.03793 0.00000 -0.03858 189 2S -0.02218 0.00000 -0.00246 0.00000 -0.13443 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63999 1.66109 1.72044 1.72342 1 1 C 1S 0.00886 -0.01621 -0.01319 0.00180 0.00715 2 2S 0.08472 -0.44149 -0.29761 0.04316 0.01898 3 2PX -0.01935 -0.14540 -0.08119 0.00715 -0.00714 4 2PY -0.03675 -0.02995 0.00643 0.10089 0.03042 5 2PZ -0.01439 -0.03087 -0.01757 -0.01860 -0.04835 6 3S -0.58729 1.82284 1.23403 0.06926 -0.30089 7 3PX -0.22969 1.09016 0.48662 -0.06767 -0.19705 8 3PY 0.24824 0.85203 0.67208 -0.29125 -0.08740 9 3PZ -0.11418 1.25689 0.61035 -0.08916 -0.08378 10 4XX -0.04494 0.24397 0.08629 -0.01687 -0.17762 11 4YY 0.03285 -0.01244 0.00086 -0.09011 -0.00061 12 4ZZ 0.04305 -0.20707 -0.08504 0.11952 0.20297 13 4XY 0.07918 0.01586 -0.01734 -0.12175 -0.03226 14 4XZ 0.03926 -0.06681 -0.03817 -0.04703 -0.02561 15 4YZ 0.04071 0.09582 0.05269 0.01504 0.00590 16 2 C 1S 0.00886 0.01621 0.01319 0.00180 0.00715 17 2S 0.08472 0.44149 0.29761 0.04316 0.01898 18 2PX -0.01935 0.14540 0.08119 0.00715 -0.00714 19 2PY 0.03675 -0.02995 0.00643 -0.10089 -0.03041 20 2PZ -0.01438 0.03087 0.01757 -0.01862 -0.04836 21 3S -0.58729 -1.82283 -1.23403 0.06928 -0.30088 22 3PX -0.22971 -1.09015 -0.48662 -0.06767 -0.19704 23 3PY -0.24823 0.85224 0.67218 0.29127 0.08741 24 3PZ -0.11424 -1.25674 -0.61024 -0.08910 -0.08376 25 4XX -0.04495 -0.24397 -0.08629 -0.01686 -0.17762 26 4YY 0.03286 0.01241 -0.00088 -0.09011 -0.00061 27 4ZZ 0.04304 0.20709 0.08506 0.11951 0.20297 28 4XY -0.07918 0.01585 -0.01734 0.12176 0.03226 29 4XZ 0.03925 0.06681 0.03817 -0.04701 -0.02561 30 4YZ -0.04071 0.09578 0.05268 -0.01508 -0.00593 31 3 C 1S -0.06585 0.00885 0.02090 -0.00379 -0.00654 32 2S -0.86152 0.21282 0.24307 0.00594 -0.14045 33 2PX -0.12199 0.04610 0.02962 0.01770 0.00299 34 2PY -0.03386 -0.05602 -0.01735 -0.01745 0.04921 35 2PZ 0.06053 -0.11512 -0.03243 0.09041 -0.03195 36 3S 2.89480 0.70133 -0.02465 0.21338 0.44713 37 3PX 0.56277 -0.18131 -0.19363 0.07328 0.04846 38 3PY 0.24656 -0.40120 -0.29759 -0.31084 -0.56070 39 3PZ 0.09289 0.11819 0.17431 0.12386 -0.11851 40 4XX 0.01463 0.21310 0.09796 0.05636 0.09150 41 4YY -0.05877 -0.01230 0.03552 -0.02363 -0.08415 42 4ZZ -0.01470 -0.20045 -0.09827 -0.01147 0.00679 43 4XY 0.13105 0.18237 0.08478 0.04360 0.02080 44 4XZ -0.08624 0.04661 -0.01107 -0.09245 -0.04629 45 4YZ -0.10410 -0.21161 -0.09611 0.16260 -0.01166 46 4 C 1S 0.02591 0.00195 0.01450 0.01469 0.00472 47 2S 0.33623 0.04623 0.26317 0.19162 0.08344 48 2PX 0.02973 0.06849 0.04864 0.04069 0.00013 49 2PY 0.00506 -0.00560 0.01057 0.07060 -0.04896 50 2PZ 0.05336 -0.03427 -0.02592 -0.06373 -0.05725 51 3S -1.44969 -0.34981 -0.94866 -0.57965 -0.14172 52 3PX 0.02106 -0.41034 -0.21781 -0.11533 0.01412 53 3PY -0.48962 0.20973 0.30311 -0.13000 0.17192 54 3PZ 0.32279 0.20117 0.00176 0.24858 0.19681 55 4XX -0.03709 0.00066 -0.00060 -0.04812 0.08645 56 4YY 0.01473 -0.02183 -0.01095 0.20139 0.05178 57 4ZZ 0.03342 0.01297 0.01293 -0.13248 -0.14723 58 4XY -0.00072 0.05657 0.00545 0.04803 -0.05434 59 4XZ 0.12913 0.07515 0.04106 -0.07491 -0.04519 60 4YZ 0.21143 0.06638 0.06010 0.10802 -0.20435 61 5 C 1S 0.02591 -0.00195 -0.01450 0.01469 0.00472 62 2S 0.33623 -0.04623 -0.26317 0.19163 0.08341 63 2PX 0.02973 -0.06849 -0.04864 0.04069 0.00013 64 2PY -0.00507 -0.00561 0.01057 -0.07059 0.04897 65 2PZ 0.05335 0.03427 0.02592 -0.06374 -0.05724 66 3S -1.44971 0.34984 0.94866 -0.57969 -0.14161 67 3PX 0.02108 0.41034 0.21781 -0.11533 0.01412 68 3PY 0.48956 0.20976 0.30310 0.12995 -0.17193 69 3PZ 0.32288 -0.20114 -0.00171 0.24861 0.19677 70 4XX -0.03709 -0.00066 0.00060 -0.04812 0.08645 71 4YY 0.01480 0.02181 0.01094 0.20142 0.05172 72 4ZZ 0.03335 -0.01295 -0.01291 -0.13251 -0.14717 73 4XY 0.00070 0.05658 0.00546 -0.04802 0.05434 74 4XZ 0.12913 -0.07514 -0.04106 -0.07492 -0.04518 75 4YZ -0.21143 0.06639 0.06011 -0.10796 0.20439 76 6 C 1S -0.06585 -0.00884 -0.02090 -0.00379 -0.00654 77 2S -0.86152 -0.21281 -0.24306 0.00594 -0.14045 78 2PX -0.12200 -0.04610 -0.02962 0.01770 0.00299 79 2PY 0.03384 -0.05604 -0.01736 0.01743 -0.04921 80 2PZ 0.06054 0.11511 0.03243 0.09041 -0.03196 81 3S 2.89480 -0.70138 0.02463 0.21340 0.44711 82 3PX 0.56277 0.18130 0.19362 0.07328 0.04845 83 3PY -0.24657 -0.40119 -0.29757 0.31083 0.56072 84 3PZ 0.09286 -0.11826 -0.17436 0.12391 -0.11843 85 4XX 0.01462 -0.21309 -0.09796 0.05636 0.09150 86 4YY -0.05880 0.01237 -0.03549 -0.02358 -0.08415 87 4ZZ -0.01467 0.20039 0.09824 -0.01152 0.00680 88 4XY -0.13103 0.18238 0.08478 -0.04358 -0.02080 89 4XZ -0.08627 -0.04658 0.01108 -0.09246 -0.04629 90 4YZ 0.10409 -0.21165 -0.09614 -0.16260 0.01165 91 7 H 1S -0.02223 0.27178 0.14153 -0.03415 -0.03786 92 2S 0.01967 0.52926 0.24152 -0.09396 -0.04128 93 8 H 1S -0.02223 -0.27178 -0.14153 -0.03415 -0.03786 94 2S 0.01967 -0.52926 -0.24151 -0.09396 -0.04128 95 9 H 1S -0.40056 -0.01175 0.04642 0.09509 0.09165 96 2S -0.42924 0.12551 0.12479 0.08766 0.24746 97 10 H 1S 0.10228 0.11413 0.05493 0.01338 0.05452 98 2S 0.14284 0.01886 0.21783 0.17276 -0.08149 99 11 H 1S 0.10228 -0.11413 -0.05493 0.01339 0.05451 100 2S 0.14284 -0.01886 -0.21783 0.17277 -0.08150 101 12 H 1S -0.40056 0.01176 -0.04642 0.09509 0.09165 102 2S -0.42924 -0.12550 -0.12479 0.08767 0.24746 103 13 H 1S 0.13092 0.04098 -0.04359 0.00955 0.03394 104 2S 0.13306 0.18514 0.02261 -0.03751 -0.05585 105 14 H 1S 0.13092 -0.04098 0.04359 0.00954 0.03394 106 2S 0.13305 -0.18515 -0.02261 -0.03751 -0.05584 107 15 C 1S 0.04040 0.01152 0.02962 0.00002 0.02805 108 2S 0.60436 0.17830 0.43691 -0.07039 0.23451 109 2PX -0.05271 -0.03005 -0.15245 0.05061 -0.06211 110 2PY -0.06550 0.02312 -0.05147 -0.06818 -0.02266 111 2PZ 0.00405 -0.03319 0.03689 -0.00801 0.05290 112 3S -1.95161 -0.16179 -1.51077 0.29965 -1.27058 113 3PX -0.02016 0.73272 0.44814 0.16653 -0.10957 114 3PY 0.80080 -0.35691 0.20483 0.04241 0.70144 115 3PZ -0.31301 0.42159 0.50424 0.12449 0.00465 116 4XX -0.13151 -0.09402 0.25049 0.00256 0.10736 117 4YY 0.01154 0.00610 0.00870 0.02816 -0.02753 118 4ZZ 0.14565 0.11787 -0.23972 -0.03001 -0.03011 119 4XY -0.13906 -0.06846 0.04774 0.04181 0.33947 120 4XZ -0.05060 0.04511 -0.06150 0.05989 -0.19639 121 4YZ 0.14717 0.01670 0.15472 0.04144 -0.13419 122 16 C 1S 0.04040 -0.01152 -0.02962 0.00002 0.02805 123 2S 0.60435 -0.17831 -0.43691 -0.07039 0.23452 124 2PX -0.05271 0.03005 0.15245 0.05061 -0.06211 125 2PY 0.06550 0.02312 -0.05146 0.06818 0.02265 126 2PZ 0.00406 0.03319 -0.03690 -0.00800 0.05291 127 3S -1.95158 0.16182 1.51079 0.29966 -1.27060 128 3PX -0.02017 -0.73272 -0.44814 0.16653 -0.10957 129 3PY -0.80076 -0.35683 0.20492 -0.04243 -0.70145 130 3PZ -0.31315 -0.42164 -0.50420 0.12448 0.00455 131 4XX -0.13151 0.09402 -0.25049 0.00256 0.10736 132 4YY 0.01158 -0.00610 -0.00874 0.02818 -0.02757 133 4ZZ 0.14560 -0.11787 0.23977 -0.03002 -0.03007 134 4XY 0.13907 -0.06845 0.04773 -0.04182 -0.33944 135 4XZ -0.05057 -0.04512 0.06151 0.05988 -0.19645 136 4YZ -0.14720 0.01672 0.15468 -0.04143 0.13419 137 17 C 1S -0.04133 0.00000 0.00000 -0.05840 -0.02191 138 2S -0.49555 0.00000 0.00000 -0.84460 -0.20615 139 2PX 0.01204 0.00000 0.00000 -0.02711 -0.06461 140 2PY 0.00001 -0.01600 -0.08175 0.00001 0.00001 141 2PZ -0.09207 0.00000 -0.00001 -0.07415 -0.13709 142 3S 2.24358 -0.00002 0.00000 3.62504 1.60467 143 3PX -0.26797 0.00000 0.00000 -0.60154 -0.20793 144 3PY 0.00001 0.03154 -0.23330 0.00006 -0.00001 145 3PZ -0.11189 0.00000 -0.00002 -0.76187 0.10963 146 4XX 0.02130 0.00000 0.00000 -0.00157 -0.11156 147 4YY 0.05038 0.00001 -0.00002 0.14093 0.23144 148 4ZZ -0.03712 -0.00001 0.00002 -0.11788 -0.09506 149 4XY 0.00000 0.03201 -0.10568 -0.00002 0.00002 150 4XZ -0.01872 0.00000 -0.00001 0.19832 -0.22653 151 4YZ 0.00001 -0.04261 0.13029 0.00003 0.00003 152 18 H 1S 0.16765 -0.00466 -0.34682 -0.04739 0.33493 153 2S 0.33031 -0.10407 -0.44350 0.02258 0.31103 154 19 H 1S -0.18728 0.00000 0.00000 -0.12614 -0.17730 155 2S -0.33603 0.00000 0.00000 -0.33186 -0.27370 156 20 H 1S 0.16765 0.00466 0.34682 -0.04739 0.33492 157 2S 0.33031 0.10407 0.44350 0.02258 0.31102 158 21 O 1S -0.00354 0.02179 -0.00016 0.05705 -0.00339 159 2S -0.06708 0.45275 -0.05977 0.81997 0.01220 160 2PX 0.13681 -0.07074 0.01650 0.03075 0.04643 161 2PY 0.08828 0.05002 -0.02751 0.07790 0.15159 162 2PZ 0.12578 -0.05566 0.10645 -0.02446 0.07603 163 3S 0.23673 -1.24078 0.04594 -2.75058 0.08295 164 3PX -0.73374 0.35975 -0.25333 -0.19577 -0.55463 165 3PY -0.42522 -0.15275 -0.05190 -0.89460 -0.48591 166 3PZ -0.60160 0.22879 -0.24529 -0.12106 -0.58492 167 4XX 0.00872 0.20349 -0.27272 0.14539 0.00325 168 4YY -0.08099 0.11499 0.10901 0.38299 -0.10105 169 4ZZ 0.02454 -0.01750 0.14048 0.03595 0.11409 170 4XY -0.01822 -0.13344 0.15336 -0.04228 0.14747 171 4XZ -0.05819 0.10992 0.01003 0.24468 -0.08073 172 4YZ 0.08770 0.15773 -0.29335 0.07009 0.05625 173 22 O 1S -0.00354 -0.02179 0.00016 0.05705 -0.00339 174 2S -0.06708 -0.45275 0.05977 0.81997 0.01219 175 2PX 0.13681 0.07074 -0.01650 0.03075 0.04643 176 2PY -0.08830 0.05001 -0.02749 -0.07789 -0.15160 177 2PZ 0.12576 0.05566 -0.10645 -0.02447 0.07601 178 3S 0.23672 1.24077 -0.04595 -2.75058 0.08295 179 3PX -0.73374 -0.35974 0.25333 -0.19577 -0.55463 180 3PY 0.42532 -0.15272 -0.05194 0.89462 0.48600 181 3PZ -0.60153 -0.22881 0.24528 -0.12091 -0.58485 182 4XX 0.00872 -0.20349 0.27272 0.14539 0.00324 183 4YY -0.08097 -0.11504 -0.10893 0.38301 -0.10103 184 4ZZ 0.02452 0.01755 -0.14056 0.03593 0.11408 185 4XY 0.01823 -0.13342 0.15336 0.04224 -0.14745 186 4XZ -0.05819 -0.10994 -0.01000 0.24469 -0.08076 187 4YZ -0.08772 0.15770 -0.29335 -0.07002 -0.05629 188 23 H 1S -0.23758 0.00000 0.00000 -0.28516 -0.09812 189 2S -0.17540 0.00000 0.00000 -0.31561 -0.10313 131 132 133 134 135 V V V V V Eigenvalues -- 1.75844 1.77089 1.79419 1.86000 1.87778 1 1 C 1S 0.01122 0.00162 0.00062 -0.01333 0.01748 2 2S 0.12814 -0.04613 0.03932 0.04263 0.13394 3 2PX -0.01439 0.02878 0.06883 0.03668 0.04032 4 2PY 0.00468 -0.10434 -0.07960 0.10486 0.01537 5 2PZ -0.02006 0.05752 0.12896 0.06129 0.05688 6 3S -0.66199 0.03723 0.15218 1.12898 -0.50206 7 3PX -0.42165 -0.01482 0.38260 0.36596 -0.20970 8 3PY -0.18897 0.12014 0.49071 0.44234 0.04658 9 3PZ -0.38547 -0.05086 0.43236 0.50675 -0.14991 10 4XX -0.00192 -0.02478 0.17811 0.03265 0.00844 11 4YY -0.01884 0.17840 -0.02460 0.12605 0.01560 12 4ZZ -0.02469 -0.15695 -0.15864 -0.13246 0.04047 13 4XY -0.03993 0.08697 0.00663 -0.05160 0.00710 14 4XZ 0.11770 -0.10981 -0.22737 -0.01496 -0.29000 15 4YZ 0.01845 0.01905 -0.20112 0.00364 -0.00604 16 2 C 1S -0.01122 0.00162 0.00062 0.01333 0.01748 17 2S -0.12814 -0.04612 0.03932 -0.04263 0.13394 18 2PX 0.01439 0.02878 0.06883 -0.03668 0.04032 19 2PY 0.00468 0.10433 0.07958 0.10487 -0.01539 20 2PZ 0.02006 0.05754 0.12897 -0.06127 0.05688 21 3S 0.66200 0.03722 0.15220 -1.12898 -0.50204 22 3PX 0.42166 -0.01482 0.38260 -0.36596 -0.20969 23 3PY -0.18905 -0.12012 -0.49079 0.44242 -0.04656 24 3PZ 0.38545 -0.05089 0.43229 -0.50667 -0.14990 25 4XX 0.00193 -0.02478 0.17811 -0.03265 0.00844 26 4YY 0.01884 0.17840 -0.02465 -0.12605 0.01560 27 4ZZ 0.02469 -0.15695 -0.15858 0.13246 0.04047 28 4XY -0.03991 -0.08695 -0.00659 -0.05160 -0.00705 29 4XZ -0.11771 -0.10982 -0.22737 0.01494 -0.29001 30 4YZ 0.01845 -0.01899 0.20115 0.00359 0.00603 31 3 C 1S -0.02083 0.00894 0.01305 -0.01184 -0.00028 32 2S -0.21966 -0.15007 0.42521 0.02956 -0.08287 33 2PX 0.01555 -0.10628 0.05179 0.04973 -0.09436 34 2PY -0.08121 0.01625 -0.17804 -0.05543 -0.03124 35 2PZ 0.16313 -0.16018 0.07980 0.02017 -0.01126 36 3S 1.44399 0.16630 -1.04184 0.80911 0.31583 37 3PX 0.50938 0.19358 0.05047 -0.53069 0.05476 38 3PY -0.00285 -0.12669 1.24034 -0.64364 -0.40481 39 3PZ 0.64801 0.22907 -0.24882 0.03747 -0.19185 40 4XX 0.03788 0.00110 0.03389 0.00840 0.15841 41 4YY -0.00261 -0.04571 -0.07294 -0.12211 -0.12118 42 4ZZ 0.01895 0.08845 0.02361 0.11679 0.04442 43 4XY -0.13103 -0.12431 -0.15864 0.36435 -0.14601 44 4XZ -0.14278 0.03967 -0.01953 -0.33686 -0.15218 45 4YZ -0.03599 -0.24410 0.06019 0.09692 0.01488 46 4 C 1S 0.12518 -0.00035 -0.00846 0.00080 -0.00965 47 2S 1.56376 0.14148 -0.14165 0.27158 -0.08499 48 2PX 0.02245 0.05759 0.02208 -0.12186 0.03198 49 2PY 0.06204 -0.22715 0.09263 -0.00463 -0.05463 50 2PZ -0.12569 0.09399 0.00631 -0.05124 0.02298 51 3S -5.60514 -0.22440 0.61786 -0.87341 0.29313 52 3PX -0.03128 -0.14688 -0.25634 1.41133 -0.02940 53 3PY 0.91702 0.24905 -0.20177 0.29294 0.22997 54 3PZ 0.81741 0.02765 -0.31811 0.05408 0.08192 55 4XX 0.02089 0.10455 -0.10915 0.23054 0.11899 56 4YY -0.02763 -0.30975 -0.03438 0.03630 -0.07209 57 4ZZ 0.05486 0.19215 0.16311 -0.28340 -0.03570 58 4XY -0.00577 -0.11446 0.01439 -0.26259 0.02212 59 4XZ 0.08593 0.09073 0.10702 -0.01459 -0.06957 60 4YZ 0.13251 -0.16748 0.36422 -0.03472 -0.02341 61 5 C 1S -0.12518 -0.00035 -0.00846 -0.00080 -0.00965 62 2S -1.56376 0.14150 -0.14164 -0.27158 -0.08500 63 2PX -0.02244 0.05759 0.02208 0.12186 0.03198 64 2PY 0.06202 0.22713 -0.09263 -0.00464 0.05462 65 2PZ 0.12570 0.09403 0.00629 0.05124 0.02298 66 3S 5.60515 -0.22444 0.61780 0.87342 0.29314 67 3PX 0.03128 -0.14688 -0.25633 -1.41133 -0.02939 68 3PY 0.91716 -0.24907 0.20182 0.29295 -0.22998 69 3PZ -0.81726 0.02761 -0.31807 -0.05403 0.08189 70 4XX -0.02089 0.10455 -0.10915 -0.23054 0.11899 71 4YY 0.02759 -0.30980 -0.03428 -0.03629 -0.07210 72 4ZZ -0.05481 0.19220 0.16300 0.28340 -0.03570 73 4XY -0.00575 0.11445 -0.01440 -0.26259 -0.02211 74 4XZ -0.08593 0.09075 0.10701 0.01455 -0.06957 75 4YZ 0.13252 0.16738 -0.36426 -0.03479 0.02340 76 6 C 1S 0.02083 0.00894 0.01305 0.01184 -0.00029 77 2S 0.21966 -0.15007 0.42520 -0.02955 -0.08288 78 2PX -0.01555 -0.10628 0.05179 -0.04973 -0.09436 79 2PY -0.08118 -0.01622 0.17802 -0.05542 0.03124 80 2PZ -0.16314 -0.16018 0.07983 -0.02018 -0.01125 81 3S -1.44401 0.16630 -1.04180 -0.80912 0.31585 82 3PX -0.50938 0.19358 0.05046 0.53068 0.05476 83 3PY -0.00277 0.12665 -1.24029 -0.64365 0.40486 84 3PZ -0.64801 0.22910 -0.24902 -0.03758 -0.19178 85 4XX -0.03788 0.00110 0.03389 -0.00840 0.15841 86 4YY 0.00262 -0.04578 -0.07292 0.12208 -0.12117 87 4ZZ -0.01896 0.08852 0.02360 -0.11677 0.04442 88 4XY -0.13105 0.12431 0.15864 0.36430 0.14603 89 4XZ 0.14276 0.03969 -0.01951 0.33692 -0.15216 90 4YZ -0.03598 0.24407 -0.06021 0.09696 -0.01491 91 7 H 1S -0.12093 0.05675 0.39238 0.13903 0.12566 92 2S -0.17671 0.00011 0.22489 0.18607 -0.04272 93 8 H 1S 0.12094 0.05675 0.39238 -0.13903 0.12567 94 2S 0.17671 0.00011 0.22489 -0.18607 -0.04271 95 9 H 1S -0.13468 0.06205 -0.09442 0.13470 0.14745 96 2S -0.17793 -0.00715 -0.38269 0.15260 0.13374 97 10 H 1S 0.43475 0.00264 -0.03725 -0.28151 -0.05734 98 2S 0.33046 0.06394 0.15438 -0.34538 -0.13417 99 11 H 1S -0.43475 0.00265 -0.03725 0.28151 -0.05735 100 2S -0.33045 0.06394 0.15438 0.34538 -0.13417 101 12 H 1S 0.13468 0.06205 -0.09442 -0.13471 0.14745 102 2S 0.17791 -0.00715 -0.38269 -0.15261 0.13375 103 13 H 1S -0.40226 -0.04098 -0.08462 -0.20809 -0.09655 104 2S -0.24800 -0.03880 -0.03964 -0.39228 -0.06898 105 14 H 1S 0.40226 -0.04098 -0.08462 0.20809 -0.09655 106 2S 0.24800 -0.03880 -0.03965 0.39229 -0.06898 107 15 C 1S -0.00438 0.00093 -0.01068 -0.00721 0.01815 108 2S 0.02504 -0.01284 -0.11727 -0.15408 0.34222 109 2PX -0.00480 -0.01380 -0.05845 0.03455 0.09219 110 2PY 0.10177 -0.04660 -0.07240 -0.00403 -0.02097 111 2PZ 0.09579 -0.03146 -0.02691 -0.01809 0.19955 112 3S -0.55919 0.02083 -0.05551 0.62423 -0.43691 113 3PX -0.66906 0.11326 0.00062 0.02062 -0.01794 114 3PY -0.83869 0.08771 0.39884 0.30280 0.01143 115 3PZ -0.98678 0.07773 0.28729 0.09389 -0.18478 116 4XX 0.00615 0.01904 0.05969 -0.01990 -0.08685 117 4YY 0.01853 0.02047 -0.03286 0.00551 0.11510 118 4ZZ -0.08148 -0.05422 -0.03536 0.03315 -0.06617 119 4XY -0.10620 0.07392 0.16390 0.04422 -0.20439 120 4XZ 0.09135 0.07371 -0.11051 0.00133 -0.13704 121 4YZ -0.02603 0.05061 0.00499 -0.04265 -0.26330 122 16 C 1S 0.00438 0.00093 -0.01068 0.00721 0.01815 123 2S -0.02504 -0.01284 -0.11727 0.15408 0.34221 124 2PX 0.00480 -0.01380 -0.05845 -0.03455 0.09219 125 2PY 0.10179 0.04661 0.07241 -0.00403 0.02093 126 2PZ -0.09577 -0.03146 -0.02689 0.01809 0.19955 127 3S 0.55921 0.02082 -0.05553 -0.62423 -0.43689 128 3PX 0.66907 0.11326 0.00061 -0.02062 -0.01795 129 3PY -0.83885 -0.08772 -0.39888 0.30282 -0.01142 130 3PZ 0.98664 0.07771 0.28721 -0.09384 -0.18476 131 4XX -0.00615 0.01904 0.05968 0.01990 -0.08685 132 4YY -0.01852 0.02048 -0.03286 -0.00550 0.11503 133 4ZZ 0.08147 -0.05423 -0.03536 -0.03316 -0.06610 134 4XY -0.10618 -0.07393 -0.16388 0.04422 0.20442 135 4XZ -0.09136 0.07370 -0.11054 -0.00133 -0.13702 136 4YZ -0.02605 -0.05059 -0.00499 -0.04264 0.26334 137 17 C 1S 0.00000 -0.02977 0.01146 0.00000 -0.03006 138 2S 0.00000 -0.45854 0.14946 0.00000 -0.28464 139 2PX 0.00000 0.02921 -0.09250 0.00000 0.07303 140 2PY 0.10026 0.00001 0.00000 -0.01890 0.00000 141 2PZ 0.00001 -0.06272 -0.04586 0.00000 0.02805 142 3S 0.00001 1.87797 0.00906 0.00000 0.93830 143 3PX 0.00000 -0.31815 0.12496 0.00000 -0.72136 144 3PY 0.19509 0.00004 -0.00001 0.01325 -0.00001 145 3PZ 0.00001 -0.47318 0.13207 0.00000 0.04947 146 4XX 0.00000 0.03864 -0.15256 0.00000 0.15345 147 4YY 0.00000 0.15514 0.19580 0.00001 -0.39589 148 4ZZ 0.00000 -0.17950 -0.04513 -0.00001 0.27177 149 4XY -0.09810 0.00000 0.00001 0.03606 -0.00002 150 4XZ -0.00001 0.05056 -0.12548 0.00000 0.20775 151 4YZ 0.00606 0.00003 0.00002 -0.06808 -0.00006 152 18 H 1S 0.17729 -0.04775 0.09548 0.00917 0.26070 153 2S 0.60113 0.10195 0.21682 -0.01288 -0.08182 154 19 H 1S 0.00000 -0.00291 0.01403 0.00000 -0.36282 155 2S 0.00000 -0.09466 -0.09015 0.00000 -0.08663 156 20 H 1S -0.17729 -0.04775 0.09548 -0.00917 0.26070 157 2S -0.60114 0.10196 0.21682 0.01288 -0.08183 158 21 O 1S -0.01605 0.02679 0.00078 0.00054 0.00939 159 2S -0.12761 0.43369 0.07309 -0.01532 0.12946 160 2PX -0.01721 0.01196 -0.05324 0.01837 0.00220 161 2PY 0.04208 0.02618 0.06272 -0.00846 0.03897 162 2PZ 0.02560 -0.01220 0.00889 -0.00862 0.05846 163 3S 0.74958 -1.41934 -0.10833 -0.04144 -0.41780 164 3PX -0.02000 -0.14220 -0.02435 0.00795 0.09683 165 3PY 0.13136 -0.46513 -0.19548 -0.00535 -0.16547 166 3PZ 0.02626 -0.09736 -0.15992 0.01419 -0.09814 167 4XX 0.00922 0.05153 -0.01736 0.02090 0.00733 168 4YY -0.16029 0.18223 -0.03387 -0.01702 0.08558 169 4ZZ 0.01576 0.03331 0.09925 -0.00425 0.00947 170 4XY 0.02328 -0.06692 0.12529 0.00414 0.02802 171 4XZ 0.13656 0.16404 0.01430 -0.05732 -0.07928 172 4YZ 0.05580 0.10454 -0.00214 -0.01798 -0.15678 173 22 O 1S 0.01605 0.02679 0.00078 -0.00054 0.00939 174 2S 0.12762 0.43369 0.07309 0.01532 0.12947 175 2PX 0.01721 0.01196 -0.05324 -0.01837 0.00220 176 2PY 0.04208 -0.02618 -0.06272 -0.00847 -0.03899 177 2PZ -0.02559 -0.01221 0.00888 0.00862 0.05846 178 3S -0.74961 -1.41934 -0.10831 0.04143 -0.41780 179 3PX 0.02000 -0.14219 -0.02436 -0.00795 0.09683 180 3PY 0.13137 0.46515 0.19551 -0.00534 0.16550 181 3PZ -0.02623 -0.09728 -0.15989 -0.01420 -0.09811 182 4XX -0.00922 0.05153 -0.01736 -0.02090 0.00733 183 4YY 0.16028 0.18226 -0.03387 0.01703 0.08553 184 4ZZ -0.01574 0.03328 0.09925 0.00424 0.00953 185 4XY 0.02331 0.06690 -0.12530 0.00413 -0.02801 186 4XZ -0.13655 0.16405 0.01428 0.05732 -0.07928 187 4YZ 0.05583 -0.10451 0.00211 -0.01798 0.15680 188 23 H 1S 0.00000 -0.20713 0.07896 0.00000 -0.03277 189 2S 0.00000 -0.14019 -0.06815 0.00000 0.20165 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93561 1.95824 1.97652 1 1 C 1S -0.00129 -0.01173 0.00808 -0.00054 0.00031 2 2S 0.06133 -0.33204 -0.05921 -0.08530 0.04686 3 2PX 0.03101 -0.04515 0.02103 -0.05788 0.01283 4 2PY 0.04197 -0.10036 -0.08220 0.17759 0.07771 5 2PZ 0.02364 0.00541 0.01660 -0.05958 0.00765 6 3S 0.13802 0.61177 -0.13713 0.17759 -0.20488 7 3PX 0.05613 0.25410 -0.13884 0.34534 0.05868 8 3PY 0.15308 0.10513 0.10869 -0.33963 -0.04979 9 3PZ 0.19350 0.21517 -0.02354 0.46784 0.09407 10 4XX -0.01908 -0.15565 -0.20986 -0.10458 0.10928 11 4YY 0.03076 0.21575 0.20241 0.01482 -0.12284 12 4ZZ 0.00114 -0.14538 0.00754 0.05819 -0.00005 13 4XY -0.03810 -0.03266 0.01402 -0.09659 -0.19647 14 4XZ -0.06256 0.12713 -0.14356 -0.11623 0.04818 15 4YZ -0.01234 -0.14867 -0.00689 -0.15037 -0.20388 16 2 C 1S 0.00129 -0.01173 0.00808 0.00054 0.00031 17 2S -0.06133 -0.33204 -0.05921 0.08531 0.04685 18 2PX -0.03100 -0.04515 0.02104 0.05789 0.01283 19 2PY 0.04197 0.10037 0.08220 0.17757 -0.07770 20 2PZ -0.02363 0.00542 0.01662 0.05961 0.00763 21 3S -0.13804 0.61176 -0.13712 -0.17760 -0.20486 22 3PX -0.05614 0.25409 -0.13884 -0.34534 0.05868 23 3PY 0.15312 -0.10517 -0.10869 -0.33955 0.04974 24 3PZ -0.19348 0.21515 -0.02356 -0.46790 0.09408 25 4XX 0.01908 -0.15565 -0.20986 0.10458 0.10928 26 4YY -0.03075 0.21571 0.20241 -0.01477 -0.12291 27 4ZZ -0.00114 -0.14534 0.00754 -0.05823 0.00001 28 4XY -0.03811 0.03264 -0.01399 -0.09661 0.19645 29 4XZ 0.06254 0.12714 -0.14357 0.11621 0.04822 30 4YZ -0.01235 0.14874 0.00693 -0.15037 0.20386 31 3 C 1S -0.00093 0.00089 -0.00047 -0.02238 0.00855 32 2S 0.06233 -0.07421 -0.00400 -0.45063 -0.14059 33 2PX 0.02045 0.03813 -0.06485 -0.04127 0.10329 34 2PY 0.06497 -0.02102 -0.06627 0.15547 0.12426 35 2PZ -0.04863 -0.01931 0.02262 -0.05145 0.06907 36 3S -0.27082 -0.14514 0.11408 1.31280 -0.14605 37 3PX -0.18401 0.20348 0.21455 -0.07912 -0.23949 38 3PY -0.21507 0.34598 -0.24188 0.16943 -0.17848 39 3PZ -0.03385 0.25696 -0.17267 0.13916 -0.16025 40 4XX -0.03811 -0.09739 0.18831 -0.25772 -0.00278 41 4YY 0.10528 -0.03103 -0.08182 0.40741 0.00070 42 4ZZ -0.08162 0.07858 -0.04246 -0.09329 -0.03742 43 4XY 0.04946 -0.01425 -0.29698 0.13397 0.06837 44 4XZ 0.01284 0.25138 -0.01000 -0.11374 0.09541 45 4YZ 0.07511 -0.04737 0.10413 -0.15460 0.06264 46 4 C 1S -0.03184 0.03101 0.00552 0.00095 -0.01529 47 2S -0.31307 -0.12486 -0.24084 -0.14944 -0.04542 48 2PX -0.03000 0.00926 -0.06669 -0.02876 -0.05578 49 2PY 0.00274 0.08246 0.11088 0.10599 -0.05541 50 2PZ 0.01178 0.02294 0.01413 0.08721 0.03136 51 3S 1.12403 -0.29570 0.18971 0.13731 0.32638 52 3PX 0.19262 -0.10233 -0.10179 0.52028 0.16870 53 3PY -0.21090 -0.29188 -0.05764 -0.60678 0.18188 54 3PZ -0.16978 -0.03768 0.05790 -0.36523 -0.12839 55 4XX 0.01095 -0.29056 -0.00246 -0.07564 0.10336 56 4YY 0.02394 0.32145 0.22705 -0.05282 -0.18764 57 4ZZ -0.03323 -0.02363 -0.18631 0.16037 0.08922 58 4XY 0.01935 -0.13201 -0.24605 -0.05122 -0.00672 59 4XZ -0.06172 0.21212 -0.09439 0.16624 -0.05263 60 4YZ 0.00766 -0.04115 0.01598 0.30071 -0.03017 61 5 C 1S 0.03184 0.03101 0.00552 -0.00095 -0.01529 62 2S 0.31307 -0.12486 -0.24083 0.14944 -0.04543 63 2PX 0.03001 0.00926 -0.06669 0.02876 -0.05578 64 2PY 0.00274 -0.08246 -0.11088 0.10601 0.05541 65 2PZ -0.01178 0.02293 0.01411 -0.08719 0.03137 66 3S -1.12402 -0.29572 0.18969 -0.13731 0.32635 67 3PX -0.19262 -0.10234 -0.10180 -0.52028 0.16872 68 3PY -0.21094 0.29188 0.05763 -0.60684 -0.18188 69 3PZ 0.16975 -0.03763 0.05792 0.36513 -0.12844 70 4XX -0.01094 -0.29056 -0.00246 0.07564 0.10336 71 4YY -0.02395 0.32143 0.22705 0.05272 -0.18765 72 4ZZ 0.03323 -0.02362 -0.18631 -0.16028 0.08924 73 4XY 0.01934 0.13198 0.24606 -0.05120 0.00675 74 4XZ 0.06172 0.21214 -0.09435 -0.16625 -0.05262 75 4YZ 0.00765 0.04122 -0.01590 0.30075 0.03013 76 6 C 1S 0.00093 0.00089 -0.00047 0.02238 0.00855 77 2S -0.06233 -0.07420 -0.00401 0.45063 -0.14057 78 2PX -0.02045 0.03813 -0.06485 0.04127 0.10330 79 2PY 0.06496 0.02102 0.06627 0.15546 -0.12427 80 2PZ 0.04864 -0.01931 0.02263 0.05147 0.06904 81 3S 0.27083 -0.14516 0.11411 -1.31279 -0.14612 82 3PX 0.18401 0.20347 0.21455 0.07912 -0.23950 83 3PY -0.21506 -0.34603 0.24191 0.16945 0.17852 84 3PZ 0.03381 0.25691 -0.17263 -0.13913 -0.16020 85 4XX 0.03811 -0.09739 0.18832 0.25772 -0.00278 86 4YY -0.10530 -0.03104 -0.08179 -0.40736 0.00070 87 4ZZ 0.08164 0.07860 -0.04249 0.09325 -0.03742 88 4XY 0.04946 0.01421 0.29699 0.13395 -0.06839 89 4XZ -0.01284 0.25138 -0.00995 0.11376 0.09540 90 4YZ 0.07507 0.04735 -0.10415 -0.15470 -0.06262 91 7 H 1S 0.10295 0.10255 0.07322 0.19710 0.17368 92 2S 0.07097 0.01802 -0.02618 0.03617 0.02150 93 8 H 1S -0.10295 0.10255 0.07322 -0.19709 0.17367 94 2S -0.07097 0.01802 -0.02618 -0.03617 0.02151 95 9 H 1S -0.00725 -0.00959 0.16428 -0.51594 0.04247 96 2S 0.15106 -0.14774 0.07188 -0.05853 0.06092 97 10 H 1S -0.12386 0.25385 0.17365 -0.12590 -0.08076 98 2S -0.13144 -0.00156 -0.06386 0.03142 -0.07969 99 11 H 1S 0.12386 0.25385 0.17365 0.12589 -0.08076 100 2S 0.13144 -0.00156 -0.06386 -0.03142 -0.07970 101 12 H 1S 0.00726 -0.00959 0.16428 0.51594 0.04249 102 2S -0.15105 -0.14774 0.07188 0.05852 0.06093 103 13 H 1S 0.09043 0.22363 -0.12165 -0.12724 -0.08422 104 2S -0.01337 -0.03390 -0.02113 -0.28872 0.07772 105 14 H 1S -0.09043 0.22363 -0.12164 0.12724 -0.08423 106 2S 0.01337 -0.03390 -0.02112 0.28872 0.07772 107 15 C 1S 0.00835 0.01018 -0.00142 -0.01407 -0.00144 108 2S 0.12240 0.02901 0.13467 -0.13331 0.21261 109 2PX -0.01876 0.08764 -0.07046 0.06260 0.12017 110 2PY 0.18556 0.00127 -0.00900 0.04383 -0.02226 111 2PZ -0.02114 0.05422 -0.04893 -0.02414 0.07423 112 3S 0.22271 0.10013 -0.25630 0.61454 0.17066 113 3PX -0.07279 -0.01357 0.06503 0.08259 -0.17751 114 3PY 0.80627 -0.07327 -0.04017 -0.01433 -0.29350 115 3PZ 0.63144 0.06557 -0.25042 0.35355 -0.34386 116 4XX -0.00755 0.04178 -0.13782 -0.01658 -0.10778 117 4YY 0.04543 0.02476 0.08110 0.04658 0.10549 118 4ZZ -0.03298 -0.02753 0.00747 0.00817 -0.01176 119 4XY -0.27383 -0.03981 -0.00618 0.03154 0.09391 120 4XZ -0.17034 -0.17989 0.14914 -0.05889 -0.22166 121 4YZ -0.05621 -0.13135 0.22153 -0.02812 0.22534 122 16 C 1S -0.00835 0.01018 -0.00142 0.01407 -0.00144 123 2S -0.12240 0.02902 0.13466 0.13331 0.21265 124 2PX 0.01877 0.08764 -0.07046 -0.06260 0.12017 125 2PY 0.18556 -0.00128 0.00901 0.04382 0.02225 126 2PZ 0.02118 0.05422 -0.04893 0.02415 0.07424 127 3S -0.22271 0.10008 -0.25626 -0.61454 0.17056 128 3PX 0.07279 -0.01358 0.06503 -0.08259 -0.17750 129 3PY 0.80637 0.07328 0.04021 -0.01427 0.29357 130 3PZ -0.63130 0.06556 -0.25041 -0.35355 -0.34383 131 4XX 0.00755 0.04177 -0.13782 0.01658 -0.10779 132 4YY -0.04541 0.02472 0.08117 -0.04657 0.10556 133 4ZZ 0.03296 -0.02749 0.00741 -0.00818 -0.01183 134 4XY -0.27386 0.03984 0.00615 0.03153 -0.09386 135 4XZ 0.17029 -0.17988 0.14914 0.05889 -0.22168 136 4YZ -0.05622 0.13135 -0.22151 -0.02812 -0.22532 137 17 C 1S 0.00000 -0.01995 0.01314 0.00000 -0.02277 138 2S 0.00000 -0.21822 0.13214 0.00000 -0.06184 139 2PX 0.00000 0.01872 0.04900 0.00000 -0.00809 140 2PY 0.04617 0.00000 0.00000 0.10076 -0.00001 141 2PZ 0.00000 -0.00156 -0.00196 0.00001 -0.03358 142 3S 0.00000 0.83152 -0.80870 0.00000 0.47156 143 3PX -0.00001 -0.40629 0.51732 0.00000 0.37565 144 3PY 0.19170 0.00000 0.00001 -0.04592 0.00004 145 3PZ 0.00002 -0.04820 -0.11530 0.00000 -0.39530 146 4XX 0.00000 0.08994 0.10174 0.00000 0.28096 147 4YY 0.00001 -0.16363 -0.00984 -0.00001 -0.30439 148 4ZZ -0.00001 0.09570 -0.09593 0.00001 0.02639 149 4XY -0.05573 -0.00001 0.00001 0.16920 -0.00001 150 4XZ 0.00000 0.10486 -0.11034 0.00001 -0.07875 151 4YZ -0.10778 -0.00003 0.00001 0.09153 -0.00005 152 18 H 1S -0.36614 0.12226 -0.22676 0.01837 -0.25887 153 2S -0.35122 -0.04404 0.01586 -0.05892 -0.19293 154 19 H 1S 0.00000 -0.16466 0.21636 0.00000 0.02248 155 2S 0.00000 -0.10738 0.17348 0.00000 0.12473 156 20 H 1S 0.36614 0.12227 -0.22675 -0.01836 -0.25888 157 2S 0.35122 -0.04403 0.01586 0.05892 -0.19293 158 21 O 1S -0.01508 0.01041 -0.01791 0.01366 -0.01444 159 2S 0.01773 0.26987 -0.24374 -0.03219 0.28886 160 2PX -0.00856 -0.05242 0.06140 -0.03511 -0.05774 161 2PY 0.21166 0.03269 -0.02570 -0.07736 0.09293 162 2PZ 0.05546 -0.00188 -0.07244 -0.09213 -0.13615 163 3S 0.17658 -0.76156 0.83164 -0.28196 -0.27692 164 3PX 0.05455 0.15220 -0.20870 0.15321 -0.06852 165 3PY -0.29771 -0.19188 0.27845 0.07068 -0.02797 166 3PZ -0.14140 -0.01416 0.20859 0.18076 0.27655 167 4XX 0.07845 0.05579 -0.05238 0.00808 -0.03657 168 4YY -0.44205 0.11112 -0.10666 0.08119 0.07365 169 4ZZ 0.29943 -0.01673 0.01177 -0.03816 0.05507 170 4XY 0.24518 0.00656 -0.11402 0.05718 -0.15912 171 4XZ 0.17126 -0.00816 -0.07737 -0.04329 -0.21508 172 4YZ 0.12690 -0.06810 0.13193 0.02414 0.12391 173 22 O 1S 0.01508 0.01041 -0.01791 -0.01366 -0.01444 174 2S -0.01773 0.26986 -0.24373 0.03219 0.28884 175 2PX 0.00856 -0.05242 0.06140 0.03511 -0.05775 176 2PY 0.21167 -0.03269 0.02571 -0.07737 -0.09289 177 2PZ -0.05543 -0.00189 -0.07244 0.09211 -0.13618 178 3S -0.17659 -0.76153 0.83162 0.28196 -0.27687 179 3PX -0.05454 0.15219 -0.20870 -0.15321 -0.06852 180 3PY -0.29773 0.19188 -0.27848 0.07071 0.02791 181 3PZ 0.14135 -0.01413 0.20854 -0.18075 0.27657 182 4XX -0.07845 0.05579 -0.05238 -0.00808 -0.03657 183 4YY 0.44202 0.11110 -0.10662 -0.08119 0.07368 184 4ZZ -0.29939 -0.01672 0.01173 0.03816 0.05503 185 4XY 0.24521 -0.00655 0.11404 0.05717 0.15914 186 4XZ -0.17122 -0.00817 -0.07735 0.04330 -0.21505 187 4YZ 0.12705 0.06812 -0.13195 0.02412 -0.12391 188 23 H 1S 0.00000 -0.05475 -0.13266 0.00000 -0.38088 189 2S 0.00000 0.06046 -0.06755 0.00000 -0.19193 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98100 2.00053 2.01936 2.04161 1 1 C 1S 0.00028 0.00209 0.01314 -0.00284 0.01247 2 2S -0.16796 -0.20959 0.04724 -0.06063 0.08290 3 2PX -0.04690 -0.07248 -0.00712 -0.02301 0.00574 4 2PY -0.10003 -0.07529 0.11702 0.01904 0.06558 5 2PZ -0.04764 -0.07100 0.05055 0.02869 0.03876 6 3S 0.34267 0.16231 -0.65712 0.06075 -0.45306 7 3PX -0.01809 -0.05762 -0.13781 0.11145 -0.18135 8 3PY 0.37197 0.35497 -0.05235 0.05175 -0.10230 9 3PZ 0.00186 -0.00193 -0.09379 0.08008 -0.20340 10 4XX 0.05188 0.02196 0.08299 0.06099 0.03498 11 4YY -0.05919 -0.07523 -0.10636 -0.08430 -0.02090 12 4ZZ 0.01064 0.04646 0.05037 0.04571 0.01063 13 4XY 0.10889 0.11686 -0.24332 -0.02834 -0.07989 14 4XZ 0.10143 0.07895 -0.08638 0.00257 -0.14120 15 4YZ 0.01628 -0.05086 -0.32335 -0.08113 -0.12300 16 2 C 1S -0.00028 -0.00209 0.01314 -0.00284 0.01247 17 2S 0.16796 0.20959 0.04723 -0.06062 0.08290 18 2PX 0.04690 0.07248 -0.00712 -0.02301 0.00574 19 2PY -0.10005 -0.07530 -0.11703 -0.01904 -0.06558 20 2PZ 0.04762 0.07099 0.05053 0.02869 0.03875 21 3S -0.34269 -0.16232 -0.65710 0.06073 -0.45305 22 3PX 0.01810 0.05762 -0.13781 0.11144 -0.18134 23 3PY 0.37198 0.35498 0.05234 -0.05176 0.10233 24 3PZ -0.00179 0.00199 -0.09377 0.08006 -0.20338 25 4XX -0.05187 -0.02195 0.08299 0.06099 0.03498 26 4YY 0.05917 0.07524 -0.10646 -0.08432 -0.02093 27 4ZZ -0.01064 -0.04647 0.05046 0.04573 0.01067 28 4XY 0.10893 0.11688 0.24333 0.02834 0.07991 29 4XZ -0.10141 -0.07893 -0.08633 0.00258 -0.14118 30 4YZ 0.01632 -0.05082 0.32332 0.08110 0.12299 31 3 C 1S 0.02230 0.02595 -0.01443 -0.00221 -0.00016 32 2S 0.24269 0.16093 -0.71206 0.00290 -0.31262 33 2PX 0.03024 -0.00231 0.05457 0.04535 -0.01674 34 2PY -0.04141 0.00827 0.15628 0.01490 0.08938 35 2PZ -0.06703 -0.13082 0.08263 0.04349 -0.02947 36 3S -0.70944 -0.77049 1.44885 -0.11350 0.58145 37 3PX -0.14782 -0.12425 -0.01447 -0.00479 -0.12302 38 3PY -0.17860 0.01843 -0.63523 0.17837 -0.64184 39 3PZ 0.23346 0.47821 -0.12686 -0.17870 0.01686 40 4XX -0.02418 -0.15918 0.02136 -0.03446 0.00175 41 4YY -0.19617 -0.07381 -0.15622 0.05899 -0.07029 42 4ZZ 0.19989 0.23585 0.14204 -0.05446 0.11679 43 4XY -0.03895 0.02467 0.10303 -0.07687 -0.00344 44 4XZ 0.01650 0.02120 0.03525 0.07354 -0.00936 45 4YZ -0.14596 -0.26616 0.05087 0.06667 0.00895 46 4 C 1S 0.01808 0.02107 0.01875 -0.00579 0.00656 47 2S -0.03418 -0.17860 0.10120 -0.02131 -0.13109 48 2PX 0.02008 0.00593 0.00916 -0.03796 0.01767 49 2PY -0.03378 -0.02584 -0.06334 0.02080 -0.02105 50 2PZ 0.08579 0.14553 0.05701 -0.00170 0.07405 51 3S -0.33493 -0.09385 -0.61337 0.16367 -0.07778 52 3PX 0.13313 0.39253 0.03463 -0.06052 0.12365 53 3PY 0.28680 0.07744 0.01318 -0.01468 0.08599 54 3PZ -0.17643 -0.39890 0.17283 -0.07513 0.00365 55 4XX 0.01359 -0.06798 -0.03374 0.02154 -0.05661 56 4YY -0.04949 -0.06914 -0.00802 -0.03812 0.05105 57 4ZZ 0.04400 0.16864 0.06976 0.01608 0.03161 58 4XY -0.18351 -0.21497 -0.05195 -0.10339 0.03723 59 4XZ 0.09318 0.20591 0.01152 -0.03188 0.00577 60 4YZ -0.08439 0.00970 -0.10402 0.04267 -0.13144 61 5 C 1S -0.01808 -0.02107 0.01875 -0.00579 0.00656 62 2S 0.03418 0.17861 0.10119 -0.02130 -0.13109 63 2PX -0.02009 -0.00593 0.00916 -0.03796 0.01767 64 2PY -0.03376 -0.02581 0.06334 -0.02080 0.02104 65 2PZ -0.08579 -0.14554 0.05702 -0.00171 0.07405 66 3S 0.33495 0.09384 -0.61337 0.16367 -0.07778 67 3PX -0.13312 -0.39253 0.03464 -0.06053 0.12366 68 3PY 0.28675 0.07738 -0.01321 0.01469 -0.08599 69 3PZ 0.17647 0.39891 0.17281 -0.07512 0.00363 70 4XX -0.01358 0.06797 -0.03374 0.02154 -0.05661 71 4YY 0.04950 0.06914 -0.00806 -0.03811 0.05101 72 4ZZ -0.04402 -0.16863 0.06979 0.01607 0.03165 73 4XY -0.18350 -0.21493 0.05196 0.10339 -0.03723 74 4XZ -0.09321 -0.20594 0.01154 -0.03186 0.00577 75 4YZ -0.08437 0.00975 0.10401 -0.04268 0.13144 76 6 C 1S -0.02230 -0.02595 -0.01443 -0.00221 -0.00016 77 2S -0.24272 -0.16095 -0.71206 0.00290 -0.31262 78 2PX -0.03023 0.00231 0.05456 0.04535 -0.01674 79 2PY -0.04143 0.00824 -0.15630 -0.01491 -0.08937 80 2PZ 0.06703 0.13082 0.08259 0.04349 -0.02948 81 3S 0.70944 0.77050 1.44882 -0.11350 0.58145 82 3PX 0.14779 0.12424 -0.01447 -0.00478 -0.12302 83 3PY -0.17854 0.01853 0.63526 -0.17835 0.64185 84 3PZ -0.23350 -0.47820 -0.12673 -0.17874 0.01697 85 4XX 0.02417 0.15918 0.02136 -0.03446 0.00174 86 4YY 0.19621 0.07388 -0.15621 0.05901 -0.07029 87 4ZZ -0.19993 -0.23592 0.14203 -0.05448 0.11679 88 4XY -0.03896 0.02467 -0.10303 0.07686 0.00344 89 4XZ -0.01649 -0.02119 0.03523 0.07356 -0.00936 90 4YZ -0.14589 -0.26610 -0.05091 -0.06665 -0.00899 91 7 H 1S -0.09563 -0.05853 0.30284 0.06129 0.12977 92 2S 0.06149 0.04411 -0.07929 0.02733 -0.10686 93 8 H 1S 0.09565 0.05853 0.30284 0.06129 0.12977 94 2S -0.06149 -0.04411 -0.07929 0.02732 -0.10686 95 9 H 1S 0.26678 0.11509 0.07302 -0.05702 0.14408 96 2S 0.08904 0.06309 0.06739 -0.07640 0.16289 97 10 H 1S 0.00115 -0.01226 0.10613 0.03098 0.01853 98 2S 0.01108 -0.11442 0.02927 0.04752 -0.10342 99 11 H 1S -0.00115 0.01226 0.10613 0.03098 0.01853 100 2S -0.01109 0.11442 0.02927 0.04752 -0.10343 101 12 H 1S -0.26678 -0.11509 0.07303 -0.05702 0.14409 102 2S -0.08903 -0.06309 0.06740 -0.07640 0.16290 103 13 H 1S -0.08645 -0.16875 0.05733 -0.08965 0.07405 104 2S -0.02175 -0.12241 0.03645 0.02515 0.02165 105 14 H 1S 0.08645 0.16876 0.05733 -0.08965 0.07405 106 2S 0.02176 0.12241 0.03644 0.02515 0.02164 107 15 C 1S 0.01320 0.01668 0.00849 0.00491 0.00219 108 2S 0.43667 0.27310 -0.04405 0.16488 0.30805 109 2PX -0.00903 -0.12700 -0.12061 -0.04872 -0.03440 110 2PY 0.04932 -0.03932 -0.09402 0.20069 0.19561 111 2PZ 0.08659 -0.02032 -0.04853 0.05659 -0.01688 112 3S -1.15802 -1.15820 -0.52508 -0.20962 -0.08173 113 3PX 0.05031 0.25883 0.27728 0.15641 0.01626 114 3PY -0.20578 0.00754 0.39398 -0.09591 -0.43793 115 3PZ -0.30747 -0.17048 0.07132 0.09124 -0.23710 116 4XX -0.08868 -0.08124 -0.09518 0.33025 0.02764 117 4YY 0.07853 -0.05437 0.18180 -0.35608 -0.29925 118 4ZZ 0.00885 0.07442 -0.14909 0.05709 0.28468 119 4XY -0.12893 -0.00564 -0.07235 -0.12479 0.02145 120 4XZ -0.08488 0.09626 0.23356 0.06520 0.17924 121 4YZ 0.01991 0.02356 -0.11062 -0.25487 0.18334 122 16 C 1S -0.01320 -0.01668 0.00849 0.00491 0.00219 123 2S -0.43666 -0.27311 -0.04403 0.16488 0.30805 124 2PX 0.00904 0.12700 -0.12061 -0.04872 -0.03440 125 2PY 0.04934 -0.03932 0.09403 -0.20070 -0.19560 126 2PZ -0.08657 0.02031 -0.04851 0.05656 -0.01691 127 3S 1.15804 1.15820 -0.52512 -0.20963 -0.08172 128 3PX -0.05032 -0.25883 0.27729 0.15640 0.01627 129 3PY -0.20581 0.00751 -0.39400 0.09590 0.43796 130 3PZ 0.30741 0.17049 0.07126 0.09125 -0.23702 131 4XX 0.08867 0.08124 -0.09518 0.33025 0.02764 132 4YY -0.07852 0.05437 0.18177 -0.35616 -0.29919 133 4ZZ -0.00885 -0.07442 -0.14906 0.05716 0.28462 134 4XY -0.12895 -0.00563 0.07231 0.12478 -0.02148 135 4XZ 0.08484 -0.09626 0.23357 0.06522 0.17924 136 4YZ 0.01988 0.02359 0.11068 0.25479 -0.18345 137 17 C 1S 0.00000 0.00000 0.03154 -0.02235 -0.03146 138 2S 0.00000 0.00000 0.08919 0.02833 -0.02696 139 2PX 0.00000 0.00000 0.09463 -0.04566 -0.12538 140 2PY 0.29485 -0.17771 0.00000 0.00001 0.00000 141 2PZ 0.00002 -0.00001 0.03846 -0.15601 -0.01710 142 3S 0.00001 -0.00001 -0.97378 0.82066 0.86564 143 3PX 0.00001 0.00000 0.03278 0.54387 -0.39835 144 3PY -0.16776 0.13942 -0.00001 0.00004 -0.00004 145 3PZ -0.00003 0.00002 0.15116 -0.47335 0.46219 146 4XX 0.00001 0.00000 -0.04339 0.31216 -0.24932 147 4YY -0.00007 0.00004 0.15800 -0.06864 -0.06590 148 4ZZ 0.00006 -0.00004 -0.12886 -0.19921 0.34013 149 4XY 0.39407 -0.32188 -0.00001 0.00001 0.00003 150 4XZ 0.00003 -0.00003 0.10998 -0.11673 -0.35838 151 4YZ 0.41357 -0.29998 0.00003 0.00001 -0.00004 152 18 H 1S -0.09543 -0.07603 0.16448 0.28137 -0.27933 153 2S 0.05022 -0.07047 0.21022 -0.03578 -0.09316 154 19 H 1S 0.00000 0.00000 0.21904 0.19763 -0.60096 155 2S 0.00000 0.00000 0.00904 0.03175 -0.13657 156 20 H 1S 0.09542 0.07603 0.16447 0.28138 -0.27933 157 2S -0.05023 0.07048 0.21021 -0.03578 -0.09316 158 21 O 1S 0.00905 -0.01996 -0.00315 0.02233 0.00280 159 2S -0.28694 -0.06969 -0.39936 0.05197 0.17506 160 2PX -0.11841 0.16846 0.06284 0.24745 0.05469 161 2PY -0.16588 0.14771 -0.06931 0.00236 0.03518 162 2PZ -0.14198 0.09007 0.01789 0.08272 0.12263 163 3S 0.50313 0.48081 0.83424 -0.45857 -0.38147 164 3PX 0.01734 -0.37154 -0.07072 -0.42622 -0.07596 165 3PY 0.19427 -0.08755 0.17941 -0.20342 -0.08807 166 3PZ 0.14295 -0.15417 0.01047 -0.01466 -0.29302 167 4XX -0.05320 0.08541 0.01655 -0.09480 0.10441 168 4YY -0.00482 -0.19263 -0.13281 -0.01322 0.09069 169 4ZZ -0.03988 0.03374 -0.04855 0.18361 -0.14726 170 4XY 0.19199 -0.03901 0.06284 -0.26874 0.02667 171 4XZ 0.04015 -0.11373 0.08629 0.02810 -0.01746 172 4YZ 0.14800 -0.09429 0.06432 0.06511 -0.22753 173 22 O 1S -0.00905 0.01996 -0.00315 0.02233 0.00280 174 2S 0.28696 0.06969 -0.39936 0.05197 0.17506 175 2PX 0.11840 -0.16847 0.06284 0.24745 0.05469 176 2PY -0.16591 0.14773 0.06930 -0.00237 -0.03520 177 2PZ 0.14194 -0.09004 0.01791 0.08272 0.12262 178 3S -0.50315 -0.48081 0.83425 -0.45856 -0.38148 179 3PX -0.01734 0.37154 -0.07072 -0.42622 -0.07596 180 3PY 0.19430 -0.08758 -0.17941 0.20342 0.08812 181 3PZ -0.14290 0.15415 0.01043 -0.01462 -0.29300 182 4XX 0.05320 -0.08541 0.01655 -0.09480 0.10441 183 4YY 0.00478 0.19266 -0.13279 -0.01320 0.09062 184 4ZZ 0.03993 -0.03377 -0.04857 0.18359 -0.14719 185 4XY 0.19201 -0.03903 -0.06286 0.26874 -0.02666 186 4XZ -0.04013 0.11372 0.08628 0.02815 -0.01746 187 4YZ 0.14799 -0.09425 -0.06434 -0.06515 0.22758 188 23 H 1S -0.00001 0.00000 0.16955 -0.50492 0.10694 189 2S -0.00001 0.00000 0.13287 -0.24566 0.04505 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12023 2.14082 2.16018 2.23013 1 1 C 1S -0.02419 0.00766 0.00694 0.00305 -0.00496 2 2S -0.50742 0.37216 -0.10815 0.03795 0.03590 3 2PX -0.05221 0.14155 -0.00790 0.00349 -0.00815 4 2PY -0.16456 0.05262 -0.06211 0.02746 0.07309 5 2PZ -0.06288 0.11548 -0.02159 0.00765 -0.03321 6 3S 0.61327 -0.94823 -0.34991 -0.08708 -0.28720 7 3PX 0.36101 -0.37276 -0.04508 -0.05101 0.09296 8 3PY 0.22661 -0.32683 0.19177 -0.08947 -0.22227 9 3PZ 0.36928 -0.32234 -0.14563 0.00207 -0.13501 10 4XX -0.07833 0.04204 0.05232 -0.01360 0.09959 11 4YY 0.24077 0.11406 0.18201 -0.03691 0.03302 12 4ZZ -0.22866 -0.11388 -0.25461 0.06722 -0.18381 13 4XY -0.17201 0.08370 -0.04909 -0.05173 0.09620 14 4XZ 0.21381 -0.18804 -0.15467 0.01424 0.06082 15 4YZ -0.07713 -0.08034 0.00160 -0.06115 -0.18871 16 2 C 1S -0.02419 -0.00766 0.00694 0.00305 0.00496 17 2S -0.50743 -0.37216 -0.10815 0.03795 -0.03589 18 2PX -0.05221 -0.14155 -0.00790 0.00349 0.00815 19 2PY 0.16457 0.05264 0.06211 -0.02747 0.07308 20 2PZ -0.06285 -0.11548 -0.02158 0.00765 0.03322 21 3S 0.61331 0.94824 -0.34988 -0.08707 0.28720 22 3PX 0.36102 0.37276 -0.04507 -0.05100 -0.09296 23 3PY -0.22669 -0.32688 -0.19175 0.08947 -0.22229 24 3PZ 0.36926 0.32229 -0.14566 0.00209 0.13497 25 4XX -0.07833 -0.04203 0.05232 -0.01360 -0.09959 26 4YY 0.24075 -0.11404 0.18201 -0.03693 -0.03297 27 4ZZ -0.22864 0.11386 -0.25461 0.06724 0.18376 28 4XY 0.17198 0.08367 0.04912 0.05173 0.09621 29 4XZ 0.21384 0.18806 -0.15467 0.01424 -0.06081 30 4YZ 0.07722 -0.08039 -0.00151 0.06113 -0.18876 31 3 C 1S -0.00633 0.00565 -0.00622 0.00599 -0.00036 32 2S -0.02737 0.18578 0.02850 -0.13031 0.16852 33 2PX 0.11305 0.10394 0.02679 -0.00506 -0.01199 34 2PY -0.01547 0.04338 -0.03271 0.07843 -0.03850 35 2PZ 0.21725 0.01087 0.02862 -0.00450 0.02001 36 3S -0.13330 -0.69390 0.20419 -0.00853 -0.26060 37 3PX 0.16402 -0.42050 -0.44397 0.05236 0.04419 38 3PY 0.18452 0.14836 -0.35746 -0.25351 0.29814 39 3PZ -0.09347 0.06936 0.07504 -0.06430 -0.18475 40 4XX 0.19722 -0.22894 0.08155 0.02944 -0.14376 41 4YY -0.02412 0.09731 -0.17603 0.06597 0.14414 42 4ZZ -0.20288 0.06126 0.12669 -0.07184 -0.00862 43 4XY -0.04156 0.27306 0.16211 -0.11539 -0.07005 44 4XZ 0.10177 0.19423 -0.08320 0.06196 -0.02309 45 4YZ 0.09039 0.06870 -0.09293 0.05999 0.00261 46 4 C 1S -0.00783 0.01015 0.01554 -0.01200 -0.00445 47 2S 0.42787 0.26080 -0.19534 -0.04656 -0.11303 48 2PX -0.01440 -0.00896 0.02597 -0.02388 -0.03456 49 2PY -0.12057 -0.03422 0.08260 -0.03317 0.02767 50 2PZ -0.09783 -0.05371 0.09490 0.00015 0.00957 51 3S -0.16624 -0.44308 -0.12613 0.24004 0.51337 52 3PX 0.06199 0.09136 0.57240 -0.00769 0.04668 53 3PY 0.21696 0.15917 -0.09723 0.15056 -0.11296 54 3PZ 0.33244 0.00016 -0.17830 0.01219 -0.03833 55 4XX 0.41126 -0.14024 0.15278 0.01576 0.12126 56 4YY -0.21635 0.07218 0.17034 -0.06569 -0.01471 57 4ZZ -0.24209 0.02997 -0.24558 0.02989 -0.07164 58 4XY 0.00440 0.13829 0.42625 -0.10247 -0.10177 59 4XZ 0.03474 -0.05558 0.17094 -0.01767 -0.12124 60 4YZ 0.15236 -0.13879 -0.07749 -0.04709 0.00663 61 5 C 1S -0.00783 -0.01015 0.01554 -0.01200 0.00445 62 2S 0.42786 -0.26081 -0.19534 -0.04656 0.11303 63 2PX -0.01440 0.00896 0.02597 -0.02388 0.03456 64 2PY 0.12059 -0.03423 -0.08261 0.03317 0.02767 65 2PZ -0.09781 0.05371 0.09489 0.00015 -0.00956 66 3S -0.16624 0.44309 -0.12615 0.24003 -0.51337 67 3PX 0.06198 -0.09136 0.57240 -0.00768 -0.04668 68 3PY -0.21701 0.15917 0.09725 -0.15056 -0.11297 69 3PZ 0.33240 -0.00014 -0.17828 0.01217 0.03831 70 4XX 0.41126 0.14024 0.15278 0.01576 -0.12126 71 4YY -0.21631 -0.07214 0.17032 -0.06570 0.01471 72 4ZZ -0.24213 -0.03001 -0.24556 0.02991 0.07164 73 4XY -0.00440 0.13828 -0.42628 0.10248 -0.10178 74 4XZ 0.03474 0.05561 0.17087 -0.01765 0.12122 75 4YZ -0.15235 -0.13880 0.07757 0.04707 0.00662 76 6 C 1S -0.00633 -0.00565 -0.00622 0.00599 0.00036 77 2S -0.02737 -0.18577 0.02849 -0.13031 -0.16851 78 2PX 0.11304 -0.10394 0.02679 -0.00506 0.01199 79 2PY 0.01543 0.04338 0.03270 -0.07843 -0.03850 80 2PZ 0.21725 -0.01087 0.02862 -0.00451 -0.02002 81 3S -0.13327 0.69387 0.20422 -0.00852 0.26059 82 3PX 0.16403 0.42049 -0.44398 0.05236 -0.04419 83 3PY -0.18449 0.14836 0.35746 0.25352 0.29811 84 3PZ -0.09350 -0.06933 0.07510 -0.06426 0.18480 85 4XX 0.19722 0.22894 0.08155 0.02943 0.14376 86 4YY -0.02410 -0.09733 -0.17606 0.06599 -0.14414 87 4ZZ -0.20291 -0.06123 0.12672 -0.07185 0.00862 88 4XY 0.04155 0.27309 -0.16211 0.11538 -0.07005 89 4XZ 0.10177 -0.19418 -0.08322 0.06198 0.02308 90 4YZ -0.09036 0.06869 0.09287 -0.05996 0.00258 91 7 H 1S 0.09192 0.09760 0.14131 0.02320 0.04706 92 2S 0.12195 -0.14750 -0.03591 -0.01534 -0.05366 93 8 H 1S 0.09192 -0.09760 0.14131 0.02320 -0.04706 94 2S 0.12195 0.14750 -0.03590 -0.01534 0.05366 95 9 H 1S 0.01163 -0.04469 0.16797 0.02307 -0.12664 96 2S -0.10630 0.06173 0.15017 0.08949 -0.03823 97 10 H 1S -0.21129 0.04518 -0.40546 0.05434 -0.05613 98 2S -0.06025 0.05266 0.02611 -0.15342 -0.00851 99 11 H 1S -0.21129 -0.04518 -0.40546 0.05435 0.05613 100 2S -0.06025 -0.05266 0.02611 -0.15342 0.00851 101 12 H 1S 0.01164 0.04469 0.16798 0.02307 0.12664 102 2S -0.10629 -0.06173 0.15017 0.08949 0.03823 103 13 H 1S -0.10240 -0.12158 0.36350 -0.08165 0.12645 104 2S -0.02391 0.01787 0.17093 -0.01683 -0.05209 105 14 H 1S -0.10240 0.12158 0.36350 -0.08165 -0.12645 106 2S -0.02391 -0.01787 0.17093 -0.01683 0.05209 107 15 C 1S 0.00261 0.00050 0.00372 0.02931 0.00925 108 2S 0.02987 0.33174 0.22735 0.49890 0.01137 109 2PX -0.07175 -0.14979 -0.01852 0.01354 -0.02894 110 2PY -0.00540 0.00770 0.11569 0.20712 -0.07007 111 2PZ -0.04594 0.02247 0.03375 0.07227 -0.00201 112 3S -0.18256 -1.23177 -0.07185 -0.52655 -0.67158 113 3PX 0.23760 0.15639 -0.08351 -0.35554 -0.19275 114 3PY 0.15418 -0.12906 -0.30739 -0.47150 -0.42101 115 3PZ 0.20148 -0.63358 -0.20196 -0.40939 -0.26724 116 4XX 0.01389 -0.06105 0.04917 -0.15267 0.09910 117 4YY -0.04356 0.01536 -0.10325 -0.22265 -0.06346 118 4ZZ 0.02233 -0.09787 0.03675 0.42236 -0.03406 119 4XY -0.05158 -0.05830 0.05421 0.03061 -0.19491 120 4XZ 0.02503 0.41783 -0.01227 -0.16803 -0.07736 121 4YZ -0.04530 0.00709 0.01935 0.00805 0.34120 122 16 C 1S 0.00261 -0.00050 0.00372 0.02931 -0.00925 123 2S 0.02986 -0.33174 0.22735 0.49890 -0.01137 124 2PX -0.07174 0.14979 -0.01852 0.01354 0.02894 125 2PY 0.00541 0.00770 -0.11570 -0.20713 -0.07006 126 2PZ -0.04594 -0.02247 0.03373 0.07223 0.00199 127 3S -0.18253 1.23179 -0.07183 -0.52655 0.67158 128 3PX 0.23760 -0.15639 -0.08351 -0.35554 0.19275 129 3PY -0.15422 -0.12916 0.30741 0.47157 -0.42105 130 3PZ 0.20147 0.63355 -0.20190 -0.40932 0.26717 131 4XX 0.01389 0.06106 0.04917 -0.15267 -0.09910 132 4YY -0.04357 -0.01536 -0.10324 -0.22265 0.06336 133 4ZZ 0.02234 0.09787 0.03675 0.42235 0.03415 134 4XY 0.05157 -0.05823 -0.05420 -0.03058 -0.19492 135 4XZ 0.02504 -0.41784 -0.01228 -0.16803 0.07732 136 4YZ 0.04528 0.00707 -0.01938 -0.00817 0.34121 137 17 C 1S 0.00180 0.00000 -0.00353 -0.02379 0.00000 138 2S -0.06291 0.00000 0.11864 -0.54527 0.00000 139 2PX 0.01951 0.00000 -0.08053 0.08814 0.00000 140 2PY 0.00000 0.09743 0.00000 -0.00001 0.02690 141 2PZ 0.00598 0.00001 -0.03115 0.05961 0.00000 142 3S 0.19900 0.00000 -0.19468 0.89132 0.00000 143 3PX -0.36939 0.00001 0.56805 -0.79474 0.00000 144 3PY -0.00002 -0.07223 0.00003 0.00004 0.03458 145 3PZ 0.29285 -0.00001 -0.40706 -0.46843 0.00000 146 4XX -0.07066 0.00000 0.01215 -0.37023 0.00000 147 4YY 0.05355 -0.00002 0.04686 0.32818 -0.00006 148 4ZZ 0.04978 0.00002 -0.10218 0.04619 0.00006 149 4XY 0.00001 0.05180 -0.00002 -0.00005 -0.49487 150 4XZ -0.07278 0.00001 0.18020 0.59061 -0.00004 151 4YZ 0.00000 0.11397 0.00001 0.00003 0.43026 152 18 H 1S 0.09716 0.04064 -0.07802 -0.13448 0.14451 153 2S 0.15449 0.04301 -0.09119 -0.18503 0.08745 154 19 H 1S -0.18803 0.00000 0.31885 0.05092 0.00000 155 2S -0.11899 0.00000 0.06770 0.04131 0.00000 156 20 H 1S 0.09716 -0.04064 -0.07802 -0.13448 -0.14450 157 2S 0.15449 -0.04301 -0.09119 -0.18503 -0.08745 158 21 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00637 159 2S 0.02726 -0.40728 -0.09765 -0.16425 -0.09727 160 2PX 0.02098 0.12335 0.01850 -0.10026 0.04297 161 2PY 0.00427 -0.11675 -0.03762 -0.13013 -0.01733 162 2PZ 0.04386 0.05928 -0.05923 -0.07368 -0.06358 163 3S -0.25989 0.82599 0.30544 0.11057 0.36321 164 3PX 0.03710 -0.33796 -0.15691 -0.05100 -0.24579 165 3PY -0.11361 0.20460 0.14645 0.09936 0.13451 166 3PZ -0.12577 -0.09402 0.17303 -0.12517 0.17421 167 4XX 0.13470 -0.00351 -0.09131 -0.21679 -0.11197 168 4YY 0.02524 -0.08760 -0.06111 0.01738 -0.00477 169 4ZZ -0.12160 -0.04412 0.11965 0.19797 0.08562 170 4XY 0.09786 0.02209 -0.15995 0.00520 -0.29772 171 4XZ 0.04817 0.06931 -0.03875 0.05675 -0.05774 172 4YZ -0.09330 0.01359 0.10205 0.01134 0.24720 173 22 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 174 2S 0.02727 0.40728 -0.09765 -0.16425 0.09727 175 2PX 0.02098 -0.12335 0.01850 -0.10026 -0.04297 176 2PY -0.00428 -0.11674 0.03763 0.13014 -0.01734 177 2PZ 0.04385 -0.05930 -0.05922 -0.07365 0.06358 178 3S -0.25990 -0.82599 0.30544 0.11057 -0.36322 179 3PX 0.03711 0.33796 -0.15691 -0.05100 0.24579 180 3PY 0.11363 0.20458 -0.14647 -0.09933 0.13454 181 3PZ -0.12575 0.09406 0.17301 -0.12519 -0.17419 182 4XX 0.13470 0.00350 -0.09131 -0.21679 0.11196 183 4YY 0.02522 0.08760 -0.06108 0.01738 0.00470 184 4ZZ -0.12157 0.04413 0.11962 0.19797 -0.08555 185 4XY -0.09786 0.02210 0.15996 -0.00521 -0.29772 186 4XZ 0.04815 -0.06930 -0.03872 0.05675 0.05769 187 4YZ 0.09333 0.01360 -0.10209 -0.01137 0.24722 188 23 H 1S 0.11011 0.00000 -0.08746 0.37363 0.00000 189 2S 0.14949 0.00000 -0.26591 0.05210 0.00000 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26202 2.27992 2.29193 2.30960 1 1 C 1S 0.00533 -0.02239 0.00026 0.01258 -0.02773 2 2S 0.29614 -0.28954 -0.03804 0.16980 -0.54331 3 2PX 0.06238 0.02092 -0.01860 -0.03332 -0.11271 4 2PY 0.06912 0.02390 -0.03764 -0.04657 0.05123 5 2PZ 0.07945 -0.02842 0.01440 0.04469 -0.11645 6 3S -0.32327 3.02108 -0.05369 -1.28827 2.45111 7 3PX -0.23260 0.87991 -0.07259 -0.80659 1.07161 8 3PY -0.03558 1.01089 0.01019 -0.62309 0.85848 9 3PZ -0.03716 1.37676 -0.03868 -0.43868 0.91844 10 4XX -0.14066 -0.20806 -0.13594 -0.32770 0.16271 11 4YY -0.15657 0.06696 0.10493 -0.06426 -0.03671 12 4ZZ 0.28943 0.20347 0.00993 0.34039 -0.12973 13 4XY 0.02784 0.01992 0.03289 -0.34214 0.02194 14 4XZ -0.10422 0.02017 -0.02593 -0.00214 0.17963 15 4YZ -0.08144 -0.06064 -0.05744 0.30632 -0.22911 16 2 C 1S 0.00533 0.02239 0.00026 -0.01258 0.02773 17 2S 0.29616 0.28951 -0.03803 -0.16980 0.54329 18 2PX 0.06238 -0.02093 -0.01860 0.03332 0.11270 19 2PY -0.06913 0.02390 0.03764 -0.04656 0.05123 20 2PZ 0.07944 0.02841 0.01441 -0.04470 0.11646 21 3S -0.32347 -3.02106 -0.05373 1.28827 -2.45107 22 3PX -0.23266 -0.87989 -0.07262 0.80659 -1.07159 23 3PY 0.03565 1.01112 -0.01017 -0.62316 0.85863 24 3PZ -0.03725 -1.37659 -0.03869 0.43857 -0.91827 25 4XX -0.14065 0.20806 -0.13596 0.32769 -0.16275 26 4YY -0.15660 -0.06693 0.10491 0.06418 0.03679 27 4ZZ 0.28943 -0.20350 0.00996 -0.34030 0.12968 28 4XY -0.02783 0.01992 -0.03287 -0.34214 0.02196 29 4XZ -0.10423 -0.02016 -0.02594 0.00209 -0.17962 30 4YZ 0.08135 -0.06061 0.05745 0.30640 -0.22911 31 3 C 1S -0.00560 -0.03001 -0.00758 0.00579 -0.01776 32 2S -0.15856 -0.63356 -0.02569 0.14941 -0.21060 33 2PX -0.02934 -0.06888 0.00080 0.06012 -0.14273 34 2PY 0.01444 0.11309 -0.00626 0.00794 -0.01613 35 2PZ -0.04413 -0.04556 -0.00845 0.01416 -0.14962 36 3S 0.43817 2.75584 0.11673 -1.10512 1.60980 37 3PX 0.19211 -0.53714 0.00388 -0.18807 0.05142 38 3PY 0.15377 -1.82992 -0.18154 0.50772 -0.87223 39 3PZ -0.23939 0.43069 -0.01551 0.01506 0.25085 40 4XX -0.18969 0.06232 -0.12261 0.13262 -0.09678 41 4YY 0.33463 -0.21222 -0.07661 -0.03791 0.09350 42 4ZZ -0.11981 0.24617 0.19520 -0.14483 0.08894 43 4XY -0.27581 0.29435 0.03575 0.05679 -0.13913 44 4XZ 0.10741 -0.20834 -0.09796 0.04913 -0.20225 45 4YZ 0.11974 -0.14949 0.08355 -0.22454 -0.12031 46 4 C 1S -0.00902 0.04518 -0.00308 -0.00478 -0.00360 47 2S -0.01602 0.23769 -0.13679 -0.32483 -0.38956 48 2PX 0.04409 0.02990 -0.02810 -0.03937 -0.02855 49 2PY 0.02304 0.00244 -0.01279 0.05411 0.02504 50 2PZ -0.00964 0.12405 0.05871 0.04417 0.13813 51 3S 0.07794 -2.46506 0.15427 0.95037 0.09736 52 3PX -0.00321 0.42901 0.12915 0.40361 0.46772 53 3PY -0.03182 0.59299 0.02650 -0.00679 -0.10964 54 3PZ -0.13610 0.41327 -0.03977 -0.34845 0.10730 55 4XX 0.18299 -0.12502 -0.03177 0.22142 0.14613 56 4YY -0.02471 -0.09674 -0.04748 -0.13084 -0.09704 57 4ZZ -0.18516 0.22749 0.11087 -0.00522 0.02675 58 4XY 0.12619 0.41835 0.00506 -0.10462 0.03533 59 4XZ 0.45763 -0.18556 -0.21443 0.01849 -0.21787 60 4YZ -0.10122 -0.11238 0.04529 -0.03140 -0.12404 61 5 C 1S -0.00902 -0.04518 -0.00308 0.00478 0.00360 62 2S -0.01603 -0.23768 -0.13679 0.32482 0.38958 63 2PX 0.04409 -0.02990 -0.02810 0.03936 0.02855 64 2PY -0.02304 0.00246 0.01278 0.05412 0.02507 65 2PZ -0.00965 -0.12405 0.05871 -0.04416 -0.13813 66 3S 0.07810 2.46505 0.15428 -0.95037 -0.09736 67 3PX -0.00324 -0.42901 0.12916 -0.40360 -0.46772 68 3PY 0.03188 0.59306 -0.02649 -0.00685 -0.10962 69 3PZ -0.13612 -0.41316 -0.03978 0.34845 -0.10732 70 4XX 0.18300 0.12501 -0.03176 -0.22142 -0.14613 71 4YY -0.02473 0.09677 -0.04747 0.13085 0.09705 72 4ZZ -0.18514 -0.22751 0.11086 0.00521 -0.02677 73 4XY -0.12624 0.41832 -0.00502 -0.10462 0.03529 74 4XZ 0.45762 0.18560 -0.21443 -0.01851 0.21787 75 4YZ 0.10125 -0.11233 -0.04533 -0.03138 -0.12402 76 6 C 1S -0.00560 0.03001 -0.00758 -0.00579 0.01776 77 2S -0.15852 0.63356 -0.02569 -0.14941 0.21061 78 2PX -0.02933 0.06889 0.00081 -0.06012 0.14273 79 2PY -0.01443 0.11308 0.00626 0.00794 -0.01615 80 2PZ -0.04412 0.04559 -0.00845 -0.01416 0.14962 81 3S 0.43797 -2.75586 0.11670 1.10512 -1.60984 82 3PX 0.19214 0.53712 0.00387 0.18807 -0.05141 83 3PY -0.15385 -1.82983 0.18153 0.50773 -0.87221 84 3PZ -0.23945 -0.43098 -0.01547 -0.01497 -0.25100 85 4XX -0.18970 -0.06231 -0.12260 -0.13262 0.09675 86 4YY 0.33467 0.21224 -0.07658 0.03797 -0.09346 87 4ZZ -0.11986 -0.24620 0.19517 0.14477 -0.08894 88 4XY 0.27581 0.29430 -0.03574 0.05679 -0.13916 89 4XZ 0.10747 0.20838 -0.09796 -0.04912 0.20221 90 4YZ -0.11966 -0.14940 -0.08360 -0.22456 -0.12033 91 7 H 1S 0.03566 0.08597 0.01520 -0.16543 0.11656 92 2S -0.05433 0.44754 -0.03305 -0.25736 0.33530 93 8 H 1S 0.03565 -0.08597 0.01520 0.16543 -0.11656 94 2S -0.05436 -0.44754 -0.03306 0.25736 -0.33530 95 9 H 1S -0.24480 0.21672 0.06734 -0.00605 -0.01333 96 2S -0.10031 0.41336 0.06028 -0.08671 0.18091 97 10 H 1S -0.26137 0.06708 0.05951 -0.20437 -0.07132 98 2S 0.12499 -0.01812 -0.17049 -0.13591 -0.21278 99 11 H 1S -0.26137 -0.06707 0.05951 0.20438 0.07132 100 2S 0.12499 0.01811 -0.17049 0.13591 0.21279 101 12 H 1S -0.24482 -0.21671 0.06734 0.00605 0.01333 102 2S -0.10034 -0.41335 0.06027 0.08672 -0.18092 103 13 H 1S 0.26825 -0.19082 -0.11760 0.03167 0.08328 104 2S -0.02703 -0.06613 0.08278 -0.08558 -0.11631 105 14 H 1S 0.26826 0.19081 -0.11760 -0.03167 -0.08328 106 2S -0.02703 0.06613 0.08278 0.08558 0.11632 107 15 C 1S 0.00916 -0.00588 0.01448 -0.00442 -0.03591 108 2S 0.06241 -0.06756 0.41270 -0.33358 -0.81763 109 2PX 0.03246 0.02025 0.01620 -0.05094 -0.11567 110 2PY -0.01083 -0.02200 0.15948 0.00252 0.05855 111 2PZ 0.00215 0.04068 0.03540 -0.10903 -0.22813 112 3S -0.24774 0.58269 -0.42816 0.88925 3.33683 113 3PX -0.02454 -0.12272 -0.08102 0.32950 0.96834 114 3PY 0.10562 0.24429 -0.23379 0.65766 1.54161 115 3PZ -0.16566 0.03492 -0.40234 0.38022 1.83980 116 4XX 0.08582 0.02581 0.33007 0.17216 0.14939 117 4YY 0.02632 -0.01459 -0.20868 -0.01938 0.02538 118 4ZZ -0.10174 0.01312 -0.14995 -0.10858 -0.07803 119 4XY -0.03435 -0.03348 -0.04762 -0.01941 0.00139 120 4XZ 0.00419 -0.14629 -0.16194 0.20590 0.20433 121 4YZ 0.08959 0.07226 0.14668 0.02107 -0.06622 122 16 C 1S 0.00916 0.00588 0.01448 0.00442 0.03591 123 2S 0.06242 0.06755 0.41270 0.33359 0.81762 124 2PX 0.03246 -0.02025 0.01620 0.05094 0.11567 125 2PY 0.01083 -0.02199 -0.15948 0.00250 0.05852 126 2PZ 0.00216 -0.04068 0.03538 0.10903 0.22814 127 3S -0.24781 -0.58268 -0.42815 -0.88926 -3.33682 128 3PX -0.02454 0.12272 -0.08101 -0.32950 -0.96833 129 3PY -0.10556 0.24431 0.23384 0.65773 1.54192 130 3PZ -0.16570 -0.03487 -0.40230 -0.38011 -1.83953 131 4XX 0.08582 -0.02582 0.33007 -0.17216 -0.14940 132 4YY 0.02635 0.01457 -0.20864 0.01937 -0.02536 133 4ZZ -0.10177 -0.01309 -0.15000 0.10858 0.07802 134 4XY 0.03435 -0.03351 0.04765 -0.01937 0.00143 135 4XZ 0.00420 0.14628 -0.16193 -0.20590 -0.20433 136 4YZ -0.08956 0.07227 -0.14669 0.02105 -0.06623 137 17 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00000 138 2S -0.02632 0.00000 -0.22521 0.00000 0.00001 139 2PX -0.01466 0.00000 -0.00264 0.00000 0.00000 140 2PY 0.00000 -0.02985 0.00000 0.02849 -0.00330 141 2PZ -0.00714 0.00000 -0.00542 0.00000 0.00000 142 3S 0.14800 0.00000 0.59236 0.00000 -0.00001 143 3PX -0.09920 0.00000 -0.38694 0.00000 0.00001 144 3PY 0.00000 0.00449 0.00002 -0.05830 -0.00058 145 3PZ 0.03681 0.00000 -0.23914 -0.00001 0.00000 146 4XX 0.05824 0.00000 0.22068 0.00000 -0.00001 147 4YY 0.02477 -0.00002 0.17278 -0.00003 0.00001 148 4ZZ -0.08571 0.00002 -0.39343 0.00003 -0.00001 149 4XY -0.00001 -0.12321 -0.00003 -0.11997 0.18073 150 4XZ 0.07827 -0.00001 0.33392 -0.00001 0.00001 151 4YZ 0.00001 0.11212 0.00005 0.20538 -0.11531 152 18 H 1S -0.00905 0.01742 -0.00115 -0.06409 -0.22743 153 2S -0.01737 0.05155 -0.15348 -0.23209 -0.60874 154 19 H 1S 0.04243 0.00000 0.21636 0.00000 0.00000 155 2S -0.10817 0.00000 -0.07886 0.00000 0.00000 156 20 H 1S -0.00905 -0.01742 -0.00115 0.06409 0.22743 157 2S -0.01737 -0.05155 -0.15349 0.23208 0.60874 158 21 O 1S -0.00069 -0.00381 0.01180 0.01388 0.02468 159 2S -0.02152 0.11116 -0.11461 -0.16125 0.08553 160 2PX -0.01405 -0.03723 0.00228 0.11132 0.07190 161 2PY -0.00733 0.03272 -0.05182 -0.05846 -0.06707 162 2PZ 0.00968 -0.02404 -0.05036 0.03615 0.09269 163 3S 0.11261 -0.14899 0.07818 -0.08925 -1.26690 164 3PX -0.04673 0.03961 -0.20899 -0.15648 0.32705 165 3PY -0.01690 -0.08063 -0.02034 -0.01648 -0.15842 166 3PZ -0.04914 0.03900 0.01839 0.01343 -0.02201 167 4XX 0.15548 -0.05814 0.44491 0.03005 0.07603 168 4YY -0.03044 0.00525 -0.04910 -0.04236 0.07283 169 4ZZ -0.13741 0.06477 -0.35879 0.02550 -0.06391 170 4XY 0.02971 -0.06701 0.10016 -0.11040 0.04031 171 4XZ -0.03537 -0.02314 -0.13967 0.11892 0.32516 172 4YZ 0.01278 0.07514 -0.01326 0.13108 -0.08735 173 22 O 1S -0.00069 0.00381 0.01180 -0.01388 -0.02468 174 2S -0.02153 -0.11116 -0.11462 0.16125 -0.08553 175 2PX -0.01405 0.03724 0.00228 -0.11132 -0.07190 176 2PY 0.00733 0.03271 0.05183 -0.05845 -0.06706 177 2PZ 0.00968 0.02405 -0.05035 -0.03616 -0.09270 178 3S 0.11263 0.14898 0.07819 0.08925 1.26688 179 3PX -0.04674 -0.03961 -0.20899 0.15647 -0.32704 180 3PY 0.01690 -0.08063 0.02034 -0.01648 -0.15842 181 3PZ -0.04914 -0.03901 0.01839 -0.01343 0.02198 182 4XX 0.15549 0.05813 0.44491 -0.03004 -0.07605 183 4YY -0.03043 -0.00527 -0.04911 0.04232 -0.07280 184 4ZZ -0.13742 -0.06474 -0.35879 -0.02547 0.06391 185 4XY -0.02971 -0.06701 -0.10014 -0.11038 0.04038 186 4XZ -0.03538 0.02313 -0.13969 -0.11894 -0.32515 187 4YZ -0.01276 0.07515 0.01332 0.13109 -0.08738 188 23 H 1S 0.00469 0.00000 -0.01860 0.00000 0.00000 189 2S 0.02713 0.00000 0.07717 0.00000 0.00000 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37116 2.40151 2.43435 2.44808 1 1 C 1S 0.01657 0.00557 0.00278 -0.03284 0.01158 2 2S 0.20370 0.04834 0.02191 -0.20620 0.07411 3 2PX 0.04269 -0.07423 0.03288 -0.12596 0.00408 4 2PY 0.14730 0.04619 -0.07463 0.16088 -0.02590 5 2PZ -0.05278 -0.04209 0.00968 -0.08317 0.00889 6 3S -0.48672 -1.15320 -0.53305 -0.60531 -0.43377 7 3PX -0.10924 -0.29310 -0.32161 -0.39627 -0.15599 8 3PY -0.08628 -0.70937 -0.16965 0.16601 0.10218 9 3PZ -0.24521 -0.28090 -0.36034 -0.42453 -0.10977 10 4XX 0.43968 -0.02166 -0.22373 -0.14438 -0.07995 11 4YY -0.22125 -0.03268 -0.03907 0.25340 0.08810 12 4ZZ -0.16256 -0.01991 0.27726 -0.13172 -0.01206 13 4XY -0.06898 -0.17704 0.44802 -0.15916 -0.02551 14 4XZ -0.12287 0.08337 0.11313 0.29237 -0.14903 15 4YZ 0.15350 -0.04238 -0.19936 0.12972 -0.07023 16 2 C 1S 0.01657 -0.00557 -0.00278 0.03284 0.01158 17 2S 0.20374 -0.04834 -0.02191 0.20619 0.07411 18 2PX 0.04270 0.07423 -0.03288 0.12597 0.00408 19 2PY -0.14728 0.04618 -0.07463 0.16087 0.02589 20 2PZ -0.05280 0.04210 -0.00969 0.08320 0.00890 21 3S -0.48695 1.15321 0.53306 0.60536 -0.43377 22 3PX -0.10934 0.29310 0.32161 0.39629 -0.15599 23 3PY 0.08640 -0.70942 -0.16972 0.16595 -0.10216 24 3PZ -0.24528 0.28079 0.36031 0.42457 -0.10978 25 4XX 0.43967 0.02166 0.22373 0.14439 -0.07995 26 4YY -0.22120 0.03269 0.03913 -0.25344 0.08808 27 4ZZ -0.16260 0.01990 -0.27732 0.13176 -0.01204 28 4XY 0.06900 -0.17703 0.44803 -0.15912 0.02554 29 4XZ -0.12287 -0.08340 -0.11306 -0.29238 -0.14903 30 4YZ -0.15353 -0.04238 -0.19930 0.12964 0.07025 31 3 C 1S -0.01283 0.00980 -0.01345 0.05963 -0.02215 32 2S -0.11706 0.49843 0.39346 1.20357 -0.07144 33 2PX -0.04367 0.06014 0.08593 -0.02547 0.00559 34 2PY 0.03141 -0.14166 -0.11427 -0.20230 -0.03012 35 2PZ -0.01822 0.05723 0.20367 -0.13368 0.04876 36 3S 0.57088 -0.59665 -0.55185 -3.64552 0.75241 37 3PX -0.12461 -0.09682 -0.11131 -0.00994 -0.11020 38 3PY -0.33329 0.76940 0.42853 1.91289 -0.19433 39 3PZ 0.10543 0.00662 0.15131 -0.47499 0.09153 40 4XX 0.39080 -0.17611 0.12078 -0.05178 -0.25132 41 4YY -0.00075 0.20292 -0.13986 -0.05697 0.21176 42 4ZZ -0.38190 -0.08516 -0.12900 -0.08233 0.04067 43 4XY 0.03371 -0.06823 0.11108 0.02400 0.08578 44 4XZ 0.19114 0.00699 0.08924 -0.23908 0.05725 45 4YZ -0.31879 -0.21514 -0.07684 0.14046 -0.09932 46 4 C 1S 0.00908 0.03634 0.01018 -0.08725 0.01630 47 2S -0.14250 0.30672 0.04530 -0.54266 0.09257 48 2PX 0.00443 0.07040 -0.01124 0.00266 0.01842 49 2PY 0.05591 0.08809 0.06828 -0.06173 -0.01344 50 2PZ 0.02265 -0.08780 -0.01361 -0.13748 0.05356 51 3S -0.08268 -0.74533 -0.00274 4.01299 -0.50273 52 3PX -0.06755 -0.12548 0.19947 -0.77280 0.05963 53 3PY -0.01936 0.46697 -0.08528 -0.99661 -0.07673 54 3PZ 0.13273 0.51245 0.12041 -1.13502 0.18657 55 4XX 0.00201 0.41703 0.31067 -0.37333 0.08989 56 4YY 0.18370 -0.17469 -0.12088 0.21777 0.05227 57 4ZZ -0.13455 -0.23391 -0.15802 0.14930 -0.13842 58 4XY -0.13976 0.32197 0.11034 0.11687 0.03281 59 4XZ 0.02846 0.05781 -0.08459 -0.01657 -0.14630 60 4YZ -0.06189 -0.28813 0.41439 0.14893 0.03404 61 5 C 1S 0.00908 -0.03634 -0.01019 0.08725 0.01630 62 2S -0.14247 -0.30673 -0.04530 0.54265 0.09257 63 2PX 0.00443 -0.07040 0.01124 -0.00266 0.01842 64 2PY -0.05591 0.08808 0.06828 -0.06175 0.01343 65 2PZ 0.02263 0.08782 0.01362 0.13747 0.05356 66 3S -0.08265 0.74534 0.00275 -4.01293 -0.50274 67 3PX -0.06759 0.12548 -0.19946 0.77280 0.05964 68 3PY 0.01933 0.46706 -0.08526 -0.99681 0.07669 69 3PZ 0.13271 -0.51238 -0.12043 1.13481 0.18658 70 4XX 0.00199 -0.41703 -0.31067 0.37332 0.08989 71 4YY 0.18370 0.17477 0.12075 -0.21782 0.05228 72 4ZZ -0.13454 0.23383 0.15815 -0.14924 -0.13843 73 4XY 0.13977 0.32198 0.11033 0.11686 -0.03279 74 4XZ 0.02850 -0.05775 0.08461 0.01661 -0.14631 75 4YZ 0.06194 -0.28815 0.41439 0.14893 -0.03401 76 6 C 1S -0.01283 -0.00980 0.01345 -0.05963 -0.02215 77 2S -0.11704 -0.49842 -0.39346 -1.20356 -0.07144 78 2PX -0.04366 -0.06014 -0.08593 0.02547 0.00559 79 2PY -0.03141 -0.14165 -0.11424 -0.20233 0.03011 80 2PZ -0.01821 -0.05725 -0.20369 0.13364 0.04876 81 3S 0.57072 0.59662 0.55183 3.64540 0.75243 82 3PX -0.12461 0.09682 0.11131 0.00995 -0.11020 83 3PY 0.33319 0.76939 0.42855 1.91278 0.19432 84 3PZ 0.10546 -0.00649 -0.15124 0.47530 0.09157 85 4XX 0.39081 0.17610 -0.12078 0.05181 -0.25132 86 4YY -0.00084 -0.20286 0.13987 0.05690 0.21173 87 4ZZ -0.38182 0.08510 0.12898 0.08237 0.04070 88 4XY -0.03376 -0.06823 0.11110 0.02397 -0.08579 89 4XZ 0.19116 -0.00700 -0.08923 0.23907 0.05724 90 4YZ 0.31885 -0.21520 -0.07684 0.14044 0.09935 91 7 H 1S 0.02361 -0.00512 -0.18323 -0.13566 0.11049 92 2S -0.04907 -0.19332 -0.09154 -0.02032 -0.03304 93 8 H 1S 0.02360 0.00512 0.18323 0.13564 0.11049 94 2S -0.04910 0.19332 0.09154 0.02032 -0.03304 95 9 H 1S -0.02992 -0.21467 0.02767 -0.01694 -0.15578 96 2S 0.11519 -0.17117 -0.11873 -0.36933 0.05446 97 10 H 1S 0.09810 -0.23944 -0.21530 -0.05894 -0.02844 98 2S -0.04170 0.08096 0.02159 0.20923 0.13077 99 11 H 1S 0.09811 0.23944 0.21530 0.05893 -0.02844 100 2S -0.04168 -0.08096 -0.02159 -0.20923 0.13077 101 12 H 1S -0.02992 0.21467 -0.02766 0.01697 -0.15578 102 2S 0.11517 0.17117 0.11872 0.36932 0.05446 103 13 H 1S -0.00841 -0.12707 0.10415 0.23195 -0.01621 104 2S -0.08647 0.28068 -0.06002 0.08816 0.02000 105 14 H 1S -0.00842 0.12707 -0.10415 -0.23194 -0.01621 106 2S -0.08646 -0.28068 0.06003 -0.08816 0.02000 107 15 C 1S 0.00623 0.02961 0.01474 0.03474 0.00275 108 2S 0.11100 0.67421 0.06279 0.35722 -0.06154 109 2PX -0.00153 0.02419 -0.06267 0.00332 -0.01803 110 2PY 0.04717 -0.04967 -0.03669 -0.07568 0.00735 111 2PZ -0.00425 0.14790 -0.03062 0.01438 -0.01521 112 3S -0.18691 -2.73271 -0.64377 -1.86840 -0.02124 113 3PX -0.07591 -0.45845 0.12513 0.26825 -0.16576 114 3PY -0.06599 -1.25588 -0.13844 -0.59188 -0.04442 115 3PZ -0.14920 -1.20153 -0.05220 -0.40847 0.02836 116 4XX 0.09656 -0.22689 -0.02315 0.08758 -0.28045 117 4YY -0.05353 -0.02313 -0.04600 -0.07924 0.03294 118 4ZZ -0.04823 0.14137 0.06390 -0.03196 0.26991 119 4XY -0.01202 -0.07976 -0.09016 -0.17189 0.04705 120 4XZ -0.07030 -0.02414 0.06039 0.10251 0.01958 121 4YZ 0.05578 0.06467 0.06177 0.15491 0.00570 122 16 C 1S 0.00624 -0.02961 -0.01474 -0.03474 0.00275 123 2S 0.11107 -0.67422 -0.06279 -0.35722 -0.06155 124 2PX -0.00151 -0.02419 0.06267 -0.00332 -0.01803 125 2PY -0.04716 -0.04965 -0.03669 -0.07568 -0.00735 126 2PZ -0.00423 -0.14790 0.03061 -0.01439 -0.01522 127 3S -0.18720 2.73272 0.64378 1.86841 -0.02122 128 3PX -0.07600 0.45844 -0.12513 -0.26825 -0.16576 129 3PY 0.06615 -1.25609 -0.13845 -0.59195 0.04440 130 3PZ -0.14936 1.20133 0.05218 0.40837 0.02838 131 4XX 0.09654 0.22689 0.02315 -0.08759 -0.28045 132 4YY -0.05351 0.02312 0.04598 0.07919 0.03295 133 4ZZ -0.04824 -0.14135 -0.06388 0.03201 0.26991 134 4XY 0.01203 -0.07976 -0.09015 -0.17187 -0.04706 135 4XZ -0.07031 0.02413 -0.06041 -0.10254 0.01957 136 4YZ -0.05578 0.06471 0.06179 0.15491 -0.00574 137 17 C 1S -0.00230 0.00000 0.00000 0.00000 0.00404 138 2S -0.17437 0.00000 0.00000 0.00001 -0.01195 139 2PX 0.05154 0.00000 0.00000 0.00000 0.03017 140 2PY 0.00000 0.00369 0.01964 -0.01621 0.00000 141 2PZ 0.02231 0.00000 0.00000 0.00000 -0.00132 142 3S 0.19978 0.00000 0.00000 0.00000 -0.14552 143 3PX -0.24729 0.00000 0.00000 0.00001 0.04785 144 3PY 0.00000 0.03443 -0.01721 -0.10845 -0.00002 145 3PZ 0.02389 0.00000 0.00000 -0.00001 0.23892 146 4XX 0.14744 0.00000 0.00000 0.00001 0.64502 147 4YY 0.08183 0.00002 0.00001 0.00000 0.01968 148 4ZZ -0.19893 -0.00002 -0.00001 -0.00002 -0.64623 149 4XY 0.00000 0.06844 0.09079 0.15300 0.00001 150 4XZ 0.06421 0.00000 0.00001 0.00001 -0.10421 151 4YZ 0.00002 -0.12402 -0.08204 -0.03670 0.00006 152 18 H 1S -0.01166 0.15670 -0.01290 -0.00707 -0.11080 153 2S -0.03612 0.40349 -0.02579 0.00606 0.03427 154 19 H 1S 0.07232 0.00000 0.00000 0.00001 0.33276 155 2S -0.08991 0.00000 0.00000 0.00000 -0.28913 156 20 H 1S -0.01164 -0.15670 0.01290 0.00707 -0.11080 157 2S -0.03607 -0.40350 0.02579 -0.00606 0.03427 158 21 O 1S -0.00066 -0.01629 -0.00067 0.01017 -0.01358 159 2S -0.09061 -0.07090 -0.09542 -0.11033 -0.05391 160 2PX -0.00606 -0.05276 0.02079 0.05450 -0.04953 161 2PY -0.02231 0.02577 -0.02713 -0.03275 -0.00412 162 2PZ -0.01244 -0.02569 0.02205 -0.01992 0.03765 163 3S 0.17919 0.84508 0.19585 0.22102 0.34009 164 3PX -0.06596 -0.13221 -0.06450 -0.21245 0.13754 165 3PY 0.04563 0.16208 0.07935 0.05644 0.15560 166 3PZ -0.04358 -0.05407 -0.06386 0.05580 -0.23240 167 4XX 0.15037 -0.03307 0.03751 0.22029 -0.18479 168 4YY 0.01112 -0.01453 0.00470 -0.03522 0.04275 169 4ZZ -0.17887 -0.02773 -0.06720 -0.15275 0.07289 170 4XY 0.08738 0.09225 0.03307 0.02674 0.24411 171 4XZ -0.02546 -0.17209 0.04475 -0.16063 0.10063 172 4YZ -0.04771 -0.10950 -0.07843 -0.03249 -0.35419 173 22 O 1S -0.00066 0.01629 0.00067 -0.01017 -0.01358 174 2S -0.09062 0.07090 0.09542 0.11033 -0.05391 175 2PX -0.00607 0.05276 -0.02079 -0.05450 -0.04953 176 2PY 0.02231 0.02576 -0.02712 -0.03275 0.00411 177 2PZ -0.01245 0.02569 -0.02205 0.01991 0.03766 178 3S 0.17930 -0.84508 -0.19586 -0.22103 0.34009 179 3PX -0.06599 0.13222 0.06450 0.21245 0.13754 180 3PY -0.04564 0.16207 0.07934 0.05646 -0.15556 181 3PZ -0.04359 0.05410 0.06388 -0.05580 -0.23242 182 4XX 0.15036 0.03307 -0.03751 -0.22029 -0.18479 183 4YY 0.01110 0.01456 -0.00468 0.03523 0.04264 184 4ZZ -0.17885 0.02770 0.06718 0.15274 0.07299 185 4XY -0.08737 0.09222 0.03307 0.02671 -0.24413 186 4XZ -0.02551 0.17210 -0.04474 0.16063 0.10059 187 4YZ 0.04774 -0.10950 -0.07845 -0.03250 0.35418 188 23 H 1S -0.02664 0.00000 0.00000 -0.00001 -0.34751 189 2S 0.11132 0.00000 0.00000 0.00000 0.17198 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52224 2.54538 2.59889 1 1 C 1S 0.02264 0.00318 -0.00735 0.00398 0.00821 2 2S 0.09619 -0.06928 -0.30707 0.10878 0.07333 3 2PX -0.01345 -0.02445 -0.06992 0.07490 -0.03989 4 2PY -0.00948 0.00224 0.00298 -0.03047 0.07363 5 2PZ -0.00579 -0.00904 -0.05349 0.03730 -0.03024 6 3S -0.80000 -0.16799 0.41280 0.71847 -0.26769 7 3PX -0.29683 -0.11882 0.28544 0.31744 -0.12907 8 3PY 0.16637 0.05135 0.02284 -0.10361 -0.01887 9 3PZ -0.25908 -0.17661 0.13639 0.37571 -0.06726 10 4XX -0.06640 0.00704 0.09886 0.04652 -0.02800 11 4YY 0.12619 -0.01318 -0.00119 -0.04097 -0.06571 12 4ZZ -0.05637 0.02218 -0.01878 -0.00885 0.08422 13 4XY -0.02819 0.08753 0.08447 0.05407 0.08153 14 4XZ -0.32000 -0.02702 0.11490 -0.08580 -0.00745 15 4YZ -0.07911 -0.10161 -0.01051 0.01101 0.03905 16 2 C 1S 0.02265 -0.00318 0.00735 -0.00398 0.00821 17 2S 0.09620 0.06928 0.30707 -0.10878 0.07332 18 2PX -0.01344 0.02445 0.06992 -0.07490 -0.03989 19 2PY 0.00949 0.00224 0.00297 -0.03046 -0.07363 20 2PZ -0.00578 0.00904 0.05349 -0.03731 -0.03025 21 3S -0.79996 0.16799 -0.41280 -0.71847 -0.26767 22 3PX -0.29680 0.11882 -0.28544 -0.31744 -0.12907 23 3PY -0.16632 0.05132 0.02286 -0.10354 0.01887 24 3PZ -0.25907 0.17662 -0.13638 -0.37573 -0.06726 25 4XX -0.06639 -0.00704 -0.09886 -0.04652 -0.02800 26 4YY 0.12615 0.01321 0.00119 0.04097 -0.06569 27 4ZZ -0.05634 -0.02221 0.01878 0.00885 0.08421 28 4XY 0.02824 0.08753 0.08449 0.05406 -0.08153 29 4XZ -0.32001 0.02703 -0.11488 0.08582 -0.00746 30 4YZ 0.07916 -0.10161 -0.01051 0.01102 -0.03908 31 3 C 1S -0.05674 0.01408 0.02280 -0.01260 -0.00751 32 2S -0.15182 0.27687 0.29629 -0.67662 -0.01988 33 2PX -0.01062 0.03314 -0.00382 0.00818 -0.03731 34 2PY -0.07946 -0.03911 -0.06421 0.15928 -0.00595 35 2PZ 0.07213 0.04804 -0.08620 -0.03366 -0.02233 36 3S 1.68602 -0.51886 -0.92649 1.33197 0.15547 37 3PX -0.09756 -0.08486 -0.32151 -0.36674 -0.06654 38 3PY -0.42777 0.12711 0.48828 -0.98459 -0.15562 39 3PZ 0.16943 0.24183 -0.24962 -0.14877 -0.07566 40 4XX -0.37551 -0.05328 0.01638 0.11725 0.03210 41 4YY 0.36622 0.02817 -0.03789 -0.00355 -0.18677 42 4ZZ -0.02309 -0.01893 0.00727 0.07046 0.15727 43 4XY 0.17743 -0.01732 -0.06976 -0.04214 -0.02848 44 4XZ 0.17505 0.02675 -0.10185 0.03904 0.09887 45 4YZ -0.21353 -0.08789 0.12820 0.10913 0.05448 46 4 C 1S 0.02643 0.01998 -0.05256 -0.00482 0.00355 47 2S 0.16750 0.23782 -0.42382 -0.09523 -0.24076 48 2PX 0.05140 0.01961 -0.03152 -0.04954 -0.03303 49 2PY -0.04570 0.03118 -0.05658 -0.04512 0.03158 50 2PZ 0.06999 -0.02880 0.01269 0.09536 0.10859 51 3S -0.78660 -0.74760 2.12664 -0.32398 0.06825 52 3PX 0.02819 -0.09962 0.48340 0.90827 0.19654 53 3PY -0.07009 0.27905 -0.64346 0.11161 -0.08513 54 3PZ 0.54482 0.24632 -0.90329 -0.32877 -0.21698 55 4XX 0.16205 0.09306 -0.01373 0.04855 0.08431 56 4YY 0.09007 -0.09082 0.18747 0.10953 0.01264 57 4ZZ -0.25599 -0.03807 -0.15182 -0.14387 -0.00201 58 4XY -0.03648 0.02013 0.32904 0.16398 0.06085 59 4XZ -0.31671 -0.09030 0.40997 0.42662 0.02385 60 4YZ 0.10885 -0.03785 0.06755 -0.10371 0.03729 61 5 C 1S 0.02643 -0.01999 0.05256 0.00482 0.00355 62 2S 0.16753 -0.23782 0.42382 0.09523 -0.24076 63 2PX 0.05140 -0.01961 0.03152 0.04954 -0.03303 64 2PY 0.04568 0.03117 -0.05658 -0.04511 -0.03160 65 2PZ 0.07000 0.02880 -0.01270 -0.09537 0.10858 66 3S -0.78686 0.74761 -2.12664 0.32399 0.06825 67 3PX 0.02824 0.09962 -0.48340 -0.90828 0.19653 68 3PY 0.06993 0.27909 -0.64361 0.11156 0.08516 69 3PZ 0.54490 -0.24627 0.90318 0.32879 -0.21696 70 4XX 0.16207 -0.09305 0.01372 -0.04856 0.08431 71 4YY 0.09008 0.09083 -0.18749 -0.10950 0.01265 72 4ZZ -0.25602 0.03806 0.15185 0.14385 -0.00202 73 4XY 0.03654 0.02011 0.32911 0.16405 -0.06086 74 4XZ -0.31671 0.09030 -0.40992 -0.42659 0.02383 75 4YZ -0.10878 -0.03784 0.06748 -0.10376 -0.03729 76 6 C 1S -0.05674 -0.01408 -0.02280 0.01260 -0.00751 77 2S -0.15191 -0.27687 -0.29629 0.67663 -0.01988 78 2PX -0.01062 -0.03314 0.00381 -0.00818 -0.03731 79 2PY 0.07944 -0.03910 -0.06423 0.15927 0.00595 80 2PZ 0.07215 -0.04805 0.08619 0.03368 -0.02233 81 3S 1.68626 0.51885 0.92649 -1.33198 0.15548 82 3PX -0.09755 0.08486 0.32151 0.36674 -0.06654 83 3PY 0.42787 0.12714 0.48824 -0.98462 0.15564 84 3PZ 0.16953 -0.24181 0.24970 0.14861 -0.07564 85 4XX -0.37551 0.05328 -0.01638 -0.11724 0.03210 86 4YY 0.36616 -0.02815 0.03786 0.00352 -0.18675 87 4ZZ -0.02302 0.01891 -0.00724 -0.07043 0.15725 88 4XY -0.17745 -0.01731 -0.06978 -0.04213 0.02846 89 4XZ 0.17504 -0.02675 0.10184 -0.03905 0.09888 90 4YZ 0.21362 -0.08790 0.12821 0.10914 -0.05454 91 7 H 1S 0.19045 0.00541 -0.05268 0.03157 -0.03710 92 2S -0.08713 -0.06931 0.08889 0.07048 -0.00641 93 8 H 1S 0.19047 -0.00541 0.05268 -0.03157 -0.03710 94 2S -0.08713 0.06931 -0.08889 -0.07048 -0.00641 95 9 H 1S -0.32055 0.03200 0.05152 0.09864 0.11053 96 2S 0.12305 -0.03055 -0.11491 0.25486 0.02786 97 10 H 1S 0.07926 0.01593 -0.46440 -0.31683 -0.11704 98 2S -0.05443 0.09438 0.07211 -0.10225 0.06660 99 11 H 1S 0.07927 -0.01594 0.46440 0.31683 -0.11704 100 2S -0.05445 -0.09438 -0.07211 0.10225 0.06660 101 12 H 1S -0.32054 -0.03200 -0.05152 -0.09863 0.11052 102 2S 0.12308 0.03055 0.11491 -0.25486 0.02786 103 13 H 1S -0.13322 0.02077 -0.28837 -0.42939 0.03839 104 2S -0.06032 0.07880 -0.13392 -0.20613 0.15174 105 14 H 1S -0.13323 -0.02077 0.28837 0.42939 0.03839 106 2S -0.06033 -0.07880 0.13392 0.20613 0.15175 107 15 C 1S 0.00841 -0.01127 -0.00394 -0.01698 0.03374 108 2S -0.12548 0.51012 -0.11086 -0.54569 0.01605 109 2PX 0.03147 0.09575 -0.00966 -0.06935 -0.22954 110 2PY -0.02414 0.16255 0.01934 -0.01109 0.15523 111 2PZ -0.03397 0.09472 -0.07563 -0.10303 -0.09650 112 3S -0.04887 -0.01764 0.83476 1.62262 -0.72268 113 3PX 0.02371 0.66291 0.75493 -0.05482 -0.40332 114 3PY 0.07956 0.40207 0.73915 0.67739 -0.21201 115 3PZ 0.01310 -0.27167 0.74638 0.52692 -0.53827 116 4XX 0.10251 0.29377 -0.01519 0.30043 -0.09029 117 4YY 0.04523 0.23434 0.00375 -0.03087 0.09028 118 4ZZ -0.07572 -0.62804 0.04107 -0.17386 0.03607 119 4XY -0.03106 0.29751 0.31648 -0.32418 -0.04145 120 4XZ -0.03646 -0.02311 0.13629 -0.14562 -0.39512 121 4YZ -0.02693 -0.11508 -0.23720 0.26317 0.00605 122 16 C 1S 0.00840 0.01127 0.00394 0.01698 0.03374 123 2S -0.12551 -0.51012 0.11085 0.54569 0.01605 124 2PX 0.03147 -0.09575 0.00966 0.06935 -0.22954 125 2PY 0.02414 0.16256 0.01933 -0.01110 -0.15522 126 2PZ -0.03396 -0.09469 0.07564 0.10303 -0.09652 127 3S -0.04873 0.01764 -0.83476 -1.62262 -0.72270 128 3PX 0.02369 -0.66291 -0.75493 0.05483 -0.40332 129 3PY -0.07961 0.40203 0.73927 0.67748 0.21211 130 3PZ 0.01312 0.27174 -0.74625 -0.52680 -0.53824 131 4XX 0.10251 -0.29377 0.01519 -0.30043 -0.09030 132 4YY 0.04523 -0.23430 -0.00368 0.03080 0.09028 133 4ZZ -0.07571 0.62800 -0.04114 0.17394 0.03606 134 4XY 0.03106 0.29751 0.31651 -0.32421 0.04152 135 4XZ -0.03647 0.02316 -0.13623 0.14557 -0.39511 136 4YZ 0.02697 -0.11525 -0.23719 0.26314 -0.00604 137 17 C 1S 0.01004 0.00000 0.00000 0.00000 0.07428 138 2S -0.17438 0.00000 0.00000 0.00000 -0.43897 139 2PX 0.08384 0.00000 0.00000 0.00000 0.37889 140 2PY -0.00001 -0.08066 -0.00676 0.02807 -0.00004 141 2PZ 0.05890 -0.00001 0.00000 0.00000 0.41719 142 3S -0.06279 0.00000 -0.00001 0.00001 -2.14700 143 3PX -0.11050 0.00000 0.00000 0.00000 0.79009 144 3PY -0.00001 -0.05020 -0.12137 0.02706 -0.00005 145 3PZ 0.03623 0.00000 -0.00001 0.00000 0.57055 146 4XX -0.36866 0.00000 0.00000 0.00000 0.10366 147 4YY 0.01286 0.00000 -0.00005 0.00003 0.02702 148 4ZZ 0.41613 0.00000 0.00004 -0.00003 0.04160 149 4XY 0.00001 0.03658 -0.16062 0.09173 0.00005 150 4XZ -0.04261 0.00000 -0.00001 0.00001 -0.56707 151 4YZ -0.00004 0.00437 0.31424 -0.17747 0.00000 152 18 H 1S 0.05348 -0.23428 -0.20470 -0.01254 0.01941 153 2S 0.02917 -0.00314 -0.36672 -0.13970 -0.19925 154 19 H 1S -0.23284 0.00000 0.00000 0.00000 0.09792 155 2S 0.09415 0.00000 0.00000 0.00000 0.06375 156 20 H 1S 0.05348 0.23427 0.20470 0.01254 0.01941 157 2S 0.02917 0.00314 0.36672 0.13970 -0.19925 158 21 O 1S 0.00139 0.00300 0.02144 0.00521 -0.06144 159 2S -0.08097 0.21701 0.01893 -0.11442 -0.92390 160 2PX 0.02051 0.00671 0.06426 0.05074 -0.01494 161 2PY -0.01418 0.08676 -0.00862 -0.02706 -0.08657 162 2PZ -0.02205 -0.05662 -0.02612 0.01071 -0.02238 163 3S 0.11536 -0.43915 -0.63154 -0.06612 3.05719 164 3PX -0.05080 -0.10931 -0.04514 -0.01805 -0.25908 165 3PY 0.05145 -0.32738 -0.19756 0.05718 1.28060 166 3PZ 0.09508 0.24637 0.10311 0.03736 -0.01284 167 4XX 0.02450 0.38470 -0.11894 0.26091 -0.22173 168 4YY 0.04352 -0.12832 -0.07778 0.08043 0.37412 169 4ZZ -0.05999 -0.21913 0.31350 -0.30753 -0.42540 170 4XY -0.11121 0.02711 -0.05745 -0.04567 -0.09107 171 4XZ -0.00759 -0.23576 0.06004 0.03262 0.31719 172 4YZ 0.20501 0.24648 0.16010 -0.04139 0.09808 173 22 O 1S 0.00139 -0.00300 -0.02144 -0.00520 -0.06144 174 2S -0.08096 -0.21701 -0.01893 0.11442 -0.92390 175 2PX 0.02051 -0.00671 -0.06426 -0.05074 -0.01494 176 2PY 0.01418 0.08675 -0.00863 -0.02706 0.08657 177 2PZ -0.02204 0.05664 0.02612 -0.01072 -0.02236 178 3S 0.11534 0.43915 0.63154 0.06610 3.05719 179 3PX -0.05078 0.10931 0.04514 0.01805 -0.25908 180 3PY -0.05146 -0.32734 -0.19755 0.05719 -1.28060 181 3PZ 0.09506 -0.24642 -0.10315 -0.03735 -0.01305 182 4XX 0.02449 -0.38470 0.11894 -0.26091 -0.22173 183 4YY 0.04358 0.12825 0.07774 -0.08042 0.37415 184 4ZZ -0.06004 0.21920 -0.31345 0.30752 -0.42543 185 4XY 0.11121 0.02707 -0.05744 -0.04566 0.09101 186 4XZ -0.00756 0.23576 -0.06005 -0.03262 0.31720 187 4YZ -0.20499 0.24647 0.16017 -0.04146 -0.09792 188 23 H 1S 0.21960 0.00000 0.00000 0.00000 -0.01724 189 2S -0.01274 0.00000 0.00000 0.00000 0.04487 166 167 168 169 170 V V V V V Eigenvalues -- 2.62741 2.64518 2.67568 2.69296 2.69442 1 1 C 1S 0.03650 -0.09125 0.00238 -0.05528 -0.02282 2 2S -0.07586 -0.29579 0.03104 -0.06266 0.08143 3 2PX -0.27694 0.11493 0.01124 0.02845 0.16202 4 2PY 0.27534 0.18517 -0.12228 0.22604 -0.03368 5 2PZ -0.20687 0.07066 0.02520 0.04493 0.16273 6 3S -0.96112 4.83467 -0.18218 2.08465 0.94879 7 3PX -0.41343 1.32183 0.09886 0.44702 0.33618 8 3PY 0.05247 1.45801 -0.45496 0.74548 -0.40558 9 3PZ -0.39097 1.40747 0.32143 0.36525 0.28650 10 4XX -0.07546 -0.19371 -0.09694 -0.37222 0.13079 11 4YY -0.08989 0.44853 -0.24066 0.44503 -0.20942 12 4ZZ 0.16421 -0.23922 0.26484 -0.09819 0.19690 13 4XY 0.31769 0.10291 -0.11043 0.11581 -0.10454 14 4XZ -0.24104 0.46371 0.11134 0.17441 0.39526 15 4YZ 0.24363 0.23617 -0.32454 -0.27868 -0.13755 16 2 C 1S 0.03650 0.09125 -0.00238 0.05528 -0.02283 17 2S -0.07586 0.29579 -0.03104 0.06268 0.08142 18 2PX -0.27694 -0.11493 -0.01124 -0.02842 0.16203 19 2PY -0.27530 0.18519 -0.12228 0.22606 0.03361 20 2PZ -0.20692 -0.07062 -0.02522 -0.04487 0.16275 21 3S -0.96118 -4.83465 0.18218 -2.08449 0.94912 22 3PX -0.41345 -1.32182 -0.09886 -0.44696 0.33626 23 3PY -0.05238 1.45825 -0.45490 0.74561 0.40542 24 3PZ -0.39099 -1.40721 -0.32151 -0.36508 0.28662 25 4XX -0.07546 0.19371 0.09694 0.37225 0.13073 26 4YY -0.08982 -0.44860 0.24075 -0.44499 -0.20939 27 4ZZ 0.16415 0.23929 -0.26493 0.09814 0.19693 28 4XY -0.31765 0.10299 -0.11041 0.11585 0.10446 29 4XZ -0.24110 -0.46369 -0.11135 -0.17433 0.39531 30 4YZ -0.24368 0.23604 -0.32445 -0.27877 0.13751 31 3 C 1S -0.05663 -0.05183 -0.01608 0.00467 -0.00418 32 2S 0.00742 -0.62634 -0.01425 -0.19419 -0.06858 33 2PX -0.18048 -0.13246 -0.07442 -0.14127 0.18614 34 2PY -0.15219 0.03961 -0.04989 0.03532 0.06815 35 2PZ -0.10575 -0.11434 -0.06740 -0.12060 0.26132 36 3S 1.49282 3.28215 0.56746 0.85073 -0.12664 37 3PX -0.29007 -0.49609 -0.24076 -0.09468 0.61696 38 3PY -0.66665 -1.76845 -0.22739 -0.50843 0.01975 39 3PZ -0.09914 -0.14128 0.18601 -0.10347 0.86596 40 4XX 0.03662 -0.08734 0.19038 0.30129 -0.21269 41 4YY -0.39028 0.18181 0.02145 0.13753 -0.24541 42 4ZZ 0.29645 -0.00322 -0.14583 -0.34168 0.39768 43 4XY 0.19803 0.21180 0.07139 0.08822 -0.43626 44 4XZ 0.63505 0.23505 0.05600 0.08735 -0.03715 45 4YZ 0.18468 0.10320 -0.17754 -0.02676 -0.52146 46 4 C 1S 0.02345 0.02592 -0.04805 0.00106 0.04183 47 2S 0.03995 -0.03619 -0.01576 0.29001 -0.04168 48 2PX 0.04960 0.01445 -0.02163 0.00919 0.06558 49 2PY -0.11856 0.01559 -0.20945 0.01937 -0.08284 50 2PZ 0.11411 0.11239 0.02055 -0.06942 0.18419 51 3S -0.48973 -1.44612 0.82996 -0.89309 -0.80745 52 3PX -0.03160 0.28932 0.31652 -0.25733 0.07089 53 3PY 0.04163 0.42384 -0.69442 0.43233 -0.19990 54 3PZ 0.33176 0.32350 0.11502 0.21773 0.46154 55 4XX 0.20396 0.12021 -0.36923 -0.12701 0.22689 56 4YY -0.04508 -0.07534 0.65239 -0.02243 0.13079 57 4ZZ -0.11232 0.03900 -0.40730 0.03352 -0.29287 58 4XY -0.00313 -0.01515 -0.08524 -0.16112 0.07725 59 4XZ 0.00032 0.04233 -0.02749 0.13529 -0.16268 60 4YZ 0.20610 -0.04408 -0.11843 -0.33095 0.25414 61 5 C 1S 0.02345 -0.02592 0.04805 -0.00106 0.04183 62 2S 0.03995 0.03619 0.01576 -0.29002 -0.04164 63 2PX 0.04960 -0.01445 0.02163 -0.00918 0.06559 64 2PY 0.11854 0.01561 -0.20945 0.01937 0.08281 65 2PZ 0.11413 -0.11239 -0.02058 0.06945 0.18419 66 3S -0.48970 1.44613 -0.82997 0.89296 -0.80758 67 3PX -0.03160 -0.28932 -0.31652 0.25734 0.07084 68 3PY -0.04167 0.42389 -0.69440 0.43239 0.19976 69 3PZ 0.33175 -0.32343 -0.11513 -0.21758 0.46161 70 4XX 0.20395 -0.12021 0.36923 0.12704 0.22687 71 4YY -0.04501 0.07535 -0.65235 0.02255 0.13086 72 4ZZ -0.11238 -0.03901 0.40726 -0.03367 -0.29294 73 4XY 0.00312 -0.01514 -0.08525 -0.16111 -0.07720 74 4XZ 0.00031 -0.04233 0.02747 -0.13534 -0.16268 75 4YZ -0.20609 -0.04405 -0.11864 -0.33098 -0.25400 76 6 C 1S -0.05663 0.05184 0.01608 -0.00467 -0.00418 77 2S 0.00742 0.62634 0.01425 0.19418 -0.06861 78 2PX -0.18048 0.13247 0.07442 0.14130 0.18611 79 2PY 0.15221 0.03959 -0.04990 0.03528 -0.06820 80 2PZ -0.10572 0.11434 0.06740 0.12065 0.26129 81 3S 1.49279 -3.28217 -0.56745 -0.85076 -0.12651 82 3PX -0.29006 0.49609 0.24076 0.09478 0.61694 83 3PY 0.66665 -1.76849 -0.22735 -0.50846 -0.01982 84 3PZ -0.09902 0.14098 -0.18604 0.10353 0.86594 85 4XX 0.03662 0.08735 -0.19038 -0.30132 -0.21263 86 4YY -0.39023 -0.18184 -0.02141 -0.13757 -0.24554 87 4ZZ 0.29639 0.00325 0.14578 0.34173 0.39777 88 4XY -0.19813 0.21184 0.07140 0.08830 0.43625 89 4XZ 0.63501 -0.23502 -0.05598 -0.08734 -0.03706 90 4YZ -0.18481 0.10316 -0.17757 -0.02677 0.52134 91 7 H 1S -0.09978 -0.20981 0.07974 -0.00837 -0.11823 92 2S -0.07859 0.56183 -0.02354 0.12814 0.10432 93 8 H 1S -0.09978 0.20981 -0.07974 0.00835 -0.11823 94 2S -0.07860 -0.56183 0.02354 -0.12812 0.10434 95 9 H 1S 0.20370 -0.05724 -0.01464 -0.06918 0.12387 96 2S 0.03402 0.33776 0.13680 0.13050 -0.05835 97 10 H 1S -0.02362 0.01141 0.07779 0.16916 -0.03533 98 2S 0.04285 -0.05051 -0.15061 0.06243 -0.04626 99 11 H 1S -0.02362 -0.01141 -0.07779 -0.16917 -0.03530 100 2S 0.04285 0.05051 0.15061 -0.06244 -0.04625 101 12 H 1S 0.20370 0.05724 0.01464 0.06920 0.12386 102 2S 0.03402 -0.33776 -0.13680 -0.13051 -0.05833 103 13 H 1S -0.06357 -0.07367 -0.10677 -0.08915 -0.03578 104 2S -0.05822 -0.03254 -0.01694 0.15813 -0.03147 105 14 H 1S -0.06357 0.07367 0.10677 0.08914 -0.03580 106 2S -0.05822 0.03254 0.01694 -0.15814 -0.03144 107 15 C 1S -0.00063 -0.03922 -0.02974 0.03026 0.00185 108 2S -0.05827 -0.17739 -0.08305 0.10944 0.00270 109 2PX 0.10506 -0.08484 -0.01832 0.00634 -0.00620 110 2PY -0.02335 0.24129 0.18958 -0.23522 -0.00044 111 2PZ 0.02047 -0.06660 -0.03225 0.03748 -0.02234 112 3S 0.22442 1.67157 1.23715 -1.21693 -0.07764 113 3PX 0.08609 0.03264 0.12161 0.01679 -0.00559 114 3PY -0.04076 0.89120 0.76104 -0.74892 0.05245 115 3PZ 0.09798 0.46078 0.27563 -0.09574 0.01976 116 4XX 0.01279 -0.21781 -0.22585 0.23838 -0.01032 117 4YY -0.00204 0.43712 0.37425 -0.48168 0.00674 118 4ZZ 0.05122 -0.17941 -0.11279 0.16605 -0.00898 119 4XY 0.01040 0.10110 0.03287 0.02049 0.03003 120 4XZ 0.14137 -0.13134 0.01455 -0.02463 0.00829 121 4YZ 0.00164 0.05112 0.13369 -0.15491 0.02669 122 16 C 1S -0.00063 0.03922 0.02974 -0.03026 0.00185 123 2S -0.05827 0.17739 0.08305 -0.10943 0.00272 124 2PX 0.10506 0.08483 0.01832 -0.00634 -0.00620 125 2PY 0.02334 0.24127 0.18958 -0.23522 0.00048 126 2PZ 0.02048 0.06664 0.03228 -0.03752 -0.02234 127 3S 0.22444 -1.67158 -1.23714 1.21692 -0.07785 128 3PX 0.08609 -0.03265 -0.12161 -0.01679 -0.00559 129 3PY 0.04074 0.89129 0.76109 -0.74894 -0.05233 130 3PZ 0.09799 -0.46064 -0.27550 0.09561 0.01972 131 4XX 0.01279 0.21781 0.22585 -0.23838 -0.01028 132 4YY -0.00204 -0.43713 -0.37429 0.48172 0.00667 133 4ZZ 0.05122 0.17943 0.11283 -0.16610 -0.00896 134 4XY -0.01043 0.10108 0.03287 0.02049 -0.03004 135 4XZ 0.14137 0.13136 -0.01454 0.02463 0.00828 136 4YZ -0.00165 0.05100 0.13359 -0.15479 -0.02667 137 17 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 138 2S 0.00898 0.00000 0.00000 0.00000 -0.01434 139 2PX -0.06133 0.00000 0.00000 0.00000 -0.03734 140 2PY 0.00001 0.25149 0.17477 -0.26575 0.00003 141 2PZ -0.08975 0.00002 0.00001 -0.00003 -0.06564 142 3S 0.59965 -0.00001 0.00000 0.00003 0.41518 143 3PX -0.27696 0.00000 0.00000 -0.00002 -0.24205 144 3PY 0.00001 0.35144 0.23154 -0.32590 0.00003 145 3PZ -0.12399 0.00003 0.00002 -0.00003 -0.04760 146 4XX 0.00332 0.00000 0.00000 0.00000 -0.02296 147 4YY -0.01662 0.00004 0.00003 -0.00004 0.00873 148 4ZZ 0.00412 -0.00004 -0.00003 0.00004 0.03943 149 4XY -0.00001 -0.26235 -0.17507 0.26199 -0.00003 150 4XZ 0.14430 -0.00002 -0.00001 0.00003 0.09201 151 4YZ 0.00000 -0.26599 -0.18253 0.26987 -0.00002 152 18 H 1S -0.05738 -0.00430 0.07117 -0.11215 -0.00939 153 2S 0.02613 -0.19605 -0.19770 0.15478 0.06703 154 19 H 1S -0.03131 0.00000 0.00000 0.00000 -0.05777 155 2S -0.06396 0.00000 0.00000 0.00000 -0.03433 156 20 H 1S -0.05738 0.00430 -0.07118 0.11215 -0.00941 157 2S 0.02613 0.19605 0.19770 -0.15477 0.06705 158 21 O 1S 0.01854 -0.02776 -0.01417 0.01326 0.00097 159 2S 0.21358 -0.11734 -0.06530 0.19102 0.10073 160 2PX 0.00912 -0.04494 -0.02454 0.00806 -0.01144 161 2PY 0.01351 0.02123 0.01435 -0.01863 0.00595 162 2PZ -0.00168 -0.01135 -0.01156 0.01808 0.00427 163 3S -0.78554 0.39790 0.19339 -0.51083 -0.27588 164 3PX 0.09435 0.18570 0.13889 -0.10522 -0.02425 165 3PY -0.29190 0.22045 0.11367 -0.21852 -0.15035 166 3PZ 0.03305 0.07108 0.08069 -0.13584 -0.08475 167 4XX 0.04062 -0.11737 -0.07683 0.05969 0.04824 168 4YY -0.06712 0.13529 0.09228 -0.16088 -0.09943 169 4ZZ 0.11393 -0.10236 -0.04306 0.08557 0.04309 170 4XY 0.05758 0.05740 0.08108 -0.10471 -0.03424 171 4XZ -0.08961 0.21058 0.10422 -0.09135 0.02048 172 4YZ -0.01691 0.08581 0.06953 -0.10018 -0.04007 173 22 O 1S 0.01854 0.02776 0.01417 -0.01326 0.00097 174 2S 0.21358 0.11733 0.06530 -0.19101 0.10076 175 2PX 0.00912 0.04494 0.02454 -0.00806 -0.01144 176 2PY -0.01351 0.02123 0.01435 -0.01863 -0.00595 177 2PZ -0.00169 0.01136 0.01157 -0.01808 0.00427 178 3S -0.78554 -0.39787 -0.19340 0.51080 -0.27595 179 3PX 0.09435 -0.18570 -0.13889 0.10522 -0.02427 180 3PY 0.29189 0.22045 0.11369 -0.21852 0.15040 181 3PZ 0.03310 -0.07105 -0.08067 0.13579 -0.08475 182 4XX 0.04062 0.11737 0.07683 -0.05968 0.04825 183 4YY -0.06712 -0.13532 -0.09230 0.16090 -0.09947 184 4ZZ 0.11393 0.10238 0.04308 -0.08560 0.04311 185 4XY -0.05757 0.05743 0.08109 -0.10472 0.03426 186 4XZ -0.08962 -0.21057 -0.10420 0.09133 0.02047 187 4YZ 0.01687 0.08576 0.06950 -0.10013 0.04005 188 23 H 1S -0.00072 0.00000 0.00000 0.00000 0.02312 189 2S 0.02564 0.00000 0.00000 0.00000 0.04223 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76591 2.80389 2.86686 2.87995 1 1 C 1S 0.03643 0.00323 0.00784 0.00508 0.00694 2 2S 0.29406 0.05992 0.04152 -0.01532 0.13545 3 2PX -0.12048 -0.00291 -0.03305 -0.00524 -0.01192 4 2PY 0.19058 0.00780 0.00860 -0.03250 0.04019 5 2PZ -0.08423 -0.01760 -0.01752 0.00477 -0.02912 6 3S -3.14519 -0.20793 -1.03514 -0.26962 -0.42643 7 3PX -1.22974 -0.08264 -0.40700 -0.03830 -0.19540 8 3PY -0.53623 0.05179 -0.22280 -0.14426 0.04300 9 3PZ -1.31404 -0.02254 -0.38904 -0.03344 -0.09446 10 4XX -0.22845 -0.02246 0.00535 0.01803 -0.04928 11 4YY 0.29254 0.00204 -0.00566 -0.04837 -0.01558 12 4ZZ -0.05818 -0.00929 -0.01547 0.05293 0.00266 13 4XY 0.06448 0.00881 -0.03096 -0.01533 0.02449 14 4XZ -0.34518 -0.03737 -0.02878 0.03095 -0.06111 15 4YZ -0.20037 0.00519 0.01934 -0.04912 0.01941 16 2 C 1S -0.03643 0.00323 -0.00784 -0.00508 0.00694 17 2S -0.29405 0.05992 -0.04152 0.01532 0.13545 18 2PX 0.12048 -0.00292 0.03305 0.00524 -0.01192 19 2PY 0.19056 -0.00780 0.00860 -0.03250 -0.04018 20 2PZ 0.08427 -0.01760 0.01752 -0.00477 -0.02913 21 3S 3.14519 -0.20796 1.03514 0.26962 -0.42643 22 3PX 1.22973 -0.08265 0.40700 0.03830 -0.19539 23 3PY -0.53645 -0.05178 -0.22287 -0.14427 -0.04298 24 3PZ 1.31395 -0.02256 0.38901 0.03341 -0.09447 25 4XX 0.22845 -0.02246 -0.00535 -0.01803 -0.04928 26 4YY -0.29249 0.00204 0.00565 0.04839 -0.01558 27 4ZZ 0.05812 -0.00929 0.01547 -0.05295 0.00266 28 4XY 0.06442 -0.00880 -0.03096 -0.01532 -0.02448 29 4XZ 0.34519 -0.03737 0.02878 -0.03095 -0.06111 30 4YZ -0.20044 -0.00519 0.01934 -0.04910 -0.01941 31 3 C 1S 0.07982 -0.00422 0.01699 0.00219 -0.01092 32 2S 0.83714 -0.03455 0.48230 0.16651 -0.07343 33 2PX 0.12906 -0.01675 0.04249 -0.00101 -0.02465 34 2PY 0.01612 -0.00266 -0.08054 -0.02810 -0.00836 35 2PZ -0.01716 -0.01863 0.09844 -0.04598 -0.02222 36 3S -4.27732 0.16147 -1.05780 -0.35945 0.44511 37 3PX 0.17234 -0.02298 0.05192 -0.08361 -0.04700 38 3PY 1.92021 -0.03063 0.68720 0.18304 -0.15628 39 3PZ -0.39696 -0.11330 0.18551 -0.05303 -0.17440 40 4XX 0.23990 0.02705 -0.18558 0.01997 0.03293 41 4YY -0.16950 0.01127 -0.00202 -0.02502 0.00308 42 4ZZ -0.29015 -0.03068 0.05339 -0.06297 -0.02617 43 4XY -0.19865 0.03008 0.03041 0.01938 0.04585 44 4XZ -0.28941 0.00064 0.04615 -0.01701 0.03653 45 4YZ 0.07349 0.02828 -0.12959 0.04422 0.04026 46 4 C 1S -0.03530 -0.00445 0.01176 -0.00772 -0.00607 47 2S -0.21545 -0.04664 0.27635 -0.03907 0.02170 48 2PX -0.06099 -0.00918 0.05048 -0.01276 0.01709 49 2PY 0.12107 0.01044 -0.04002 0.01734 -0.00856 50 2PZ -0.20587 -0.00095 -0.06668 -0.02579 -0.00322 51 3S 2.28325 0.12447 -0.19920 0.33578 0.04002 52 3PX -0.34303 0.03078 -0.49663 0.02454 -0.05188 53 3PY 0.21084 0.01824 -0.04627 -0.02017 0.04528 54 3PZ -0.97267 -0.04577 0.40373 -0.15964 0.01751 55 4XX -0.01235 -0.00316 -0.06135 -0.01237 -0.01492 56 4YY -0.35543 -0.00824 0.13328 -0.04037 -0.02523 57 4ZZ 0.36189 0.01977 -0.14064 0.04830 0.00308 58 4XY -0.04694 -0.00771 0.04527 -0.00380 -0.02317 59 4XZ 0.17541 -0.00247 -0.08611 0.02021 -0.01352 60 4YZ -0.15781 -0.01570 0.03244 -0.01509 -0.01007 61 5 C 1S 0.03530 -0.00445 -0.01176 0.00772 -0.00607 62 2S 0.21545 -0.04665 -0.27635 0.03907 0.02170 63 2PX 0.06099 -0.00918 -0.05048 0.01276 0.01709 64 2PY 0.12104 -0.01044 -0.04003 0.01734 0.00856 65 2PZ 0.20589 -0.00095 0.06667 0.02579 -0.00322 66 3S -2.28326 0.12449 0.19920 -0.33578 0.04002 67 3PX 0.34303 0.03078 0.49663 -0.02454 -0.05188 68 3PY 0.21067 -0.01824 -0.04620 -0.02019 -0.04529 69 3PZ 0.97271 -0.04578 -0.40374 0.15963 0.01750 70 4XX 0.01235 -0.00316 0.06135 0.01237 -0.01492 71 4YY 0.35548 -0.00825 -0.13329 0.04037 -0.02524 72 4ZZ -0.36194 0.01978 0.14065 -0.04831 0.00309 73 4XY -0.04691 0.00771 0.04525 -0.00379 0.02317 74 4XZ -0.17542 -0.00247 0.08612 -0.02021 -0.01351 75 4YZ -0.15767 0.01569 0.03239 -0.01507 0.01006 76 6 C 1S -0.07982 -0.00422 -0.01699 -0.00219 -0.01092 77 2S -0.83714 -0.03454 -0.48230 -0.16651 -0.07343 78 2PX -0.12906 -0.01675 -0.04249 0.00101 -0.02465 79 2PY 0.01612 0.00266 -0.08052 -0.02810 0.00837 80 2PZ 0.01716 -0.01863 -0.09845 0.04598 -0.02222 81 3S 4.27733 0.16143 1.05779 0.35945 0.44511 82 3PX -0.17233 -0.02298 -0.05192 0.08361 -0.04700 83 3PY 1.92015 0.03064 0.68723 0.18303 0.15631 84 3PZ 0.39729 -0.11330 -0.18539 0.05306 -0.17438 85 4XX -0.23990 0.02705 0.18558 -0.01997 0.03293 86 4YY 0.16949 0.01128 0.00206 0.02501 0.00309 87 4ZZ 0.29017 -0.03069 -0.05342 0.06298 -0.02618 88 4XY -0.19870 -0.03008 0.03041 0.01937 -0.04585 89 4XZ 0.28938 0.00063 -0.04615 0.01701 0.03652 90 4YZ 0.07346 -0.02827 -0.12958 0.04421 -0.04026 91 7 H 1S 0.12366 0.02203 -0.01169 0.00244 0.02007 92 2S -0.42541 -0.00039 -0.13486 -0.01617 -0.02757 93 8 H 1S -0.12366 0.02203 0.01169 -0.00244 0.02007 94 2S 0.42541 -0.00039 0.13486 0.01617 -0.02757 95 9 H 1S 0.11624 -0.02564 -0.04147 0.01883 -0.02168 96 2S -0.44606 0.01667 -0.11991 -0.05357 0.03661 97 10 H 1S -0.09126 0.00556 0.11181 -0.02476 0.02014 98 2S -0.08267 -0.05642 0.10171 -0.00537 0.00225 99 11 H 1S 0.09126 0.00556 -0.11181 0.02476 0.02014 100 2S 0.08267 -0.05642 -0.10171 0.00537 0.00225 101 12 H 1S -0.11624 -0.02564 0.04147 -0.01883 -0.02168 102 2S 0.44606 0.01667 0.11991 0.05357 0.03661 103 13 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02116 104 2S 0.07225 0.01782 0.22400 -0.01484 -0.02809 105 14 H 1S -0.08220 -0.00730 -0.06372 -0.00166 -0.02116 106 2S -0.07225 0.01782 -0.22400 0.01484 -0.02809 107 15 C 1S 0.02040 0.02612 0.10187 -0.01586 0.02803 108 2S 0.15112 -0.09141 0.64202 0.06178 -0.18665 109 2PX -0.04673 -0.25701 -0.27625 -0.09545 -0.32201 110 2PY 0.13905 0.17847 -0.23353 0.28264 0.08270 111 2PZ -0.05912 -0.16146 -0.03076 -0.07269 -0.22878 112 3S -1.07822 -0.60957 -5.68234 0.43015 -0.97023 113 3PX -0.11835 -0.18940 -0.75612 -0.02191 -0.37013 114 3PY -0.02869 0.16186 -2.30568 0.29543 0.32765 115 3PZ -0.50478 -0.19708 -1.89552 -0.01338 -0.33069 116 4XX -0.21064 -0.03748 0.18626 -0.23078 -0.22108 117 4YY 0.32779 -0.04501 -0.47814 0.55705 0.21559 118 4ZZ -0.03548 0.09118 0.11931 -0.30822 -0.07963 119 4XY 0.04320 0.25629 0.00806 -0.44736 0.13248 120 4XZ -0.00894 -0.18770 -0.42152 -0.10654 -0.37876 121 4YZ 0.05479 0.18863 -0.38955 -0.50466 0.10501 122 16 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 123 2S -0.15113 -0.09141 -0.64202 -0.06178 -0.18665 124 2PX 0.04673 -0.25701 0.27625 0.09545 -0.32200 125 2PY 0.13904 -0.17844 -0.23353 0.28263 -0.08266 126 2PZ 0.05915 -0.16149 0.03073 0.07274 -0.22879 127 3S 1.07822 -0.60958 5.68235 -0.43014 -0.97023 128 3PX 0.11835 -0.18940 0.75612 0.02191 -0.37014 129 3PY -0.02878 -0.16182 -2.30600 0.29543 -0.32760 130 3PZ 0.50478 -0.19711 1.89514 0.01343 -0.33075 131 4XX 0.21064 -0.03749 -0.18625 0.23078 -0.22108 132 4YY -0.32780 -0.04495 0.47825 -0.55690 0.21562 133 4ZZ 0.03550 0.09113 -0.11942 0.30807 -0.07966 134 4XY 0.04320 -0.25626 0.00799 -0.44737 -0.13242 135 4XZ 0.00895 -0.18775 0.42152 0.10647 -0.37878 136 4YZ 0.05472 -0.18866 -0.38944 -0.50483 -0.10495 137 17 C 1S 0.00000 0.02773 0.00000 0.00000 -0.07867 138 2S 0.00000 -0.01875 0.00000 0.00000 0.25243 139 2PX 0.00000 0.05927 0.00000 0.00000 -0.29563 140 2PY 0.39083 -0.00001 0.51832 -0.34019 0.00003 141 2PZ 0.00003 0.07564 0.00004 -0.00003 -0.32734 142 3S 0.00000 -0.75691 0.00000 0.00000 2.15263 143 3PX 0.00000 0.00933 0.00000 0.00000 -0.37834 144 3PY 0.38419 0.00000 0.28912 -0.32208 0.00003 145 3PZ 0.00003 -0.03199 0.00002 -0.00003 -0.35552 146 4XX 0.00000 0.39411 0.00000 0.00000 -0.35335 147 4YY 0.00004 -0.74233 0.00005 -0.00004 0.56668 148 4ZZ -0.00004 0.40251 -0.00005 0.00004 -0.24784 149 4XY -0.35231 -0.00001 -0.39846 0.12337 -0.00001 150 4XZ -0.00003 0.14356 -0.00003 0.00001 0.16513 151 4YZ -0.31674 -0.00011 -0.32484 0.27979 0.00008 152 18 H 1S 0.04898 -0.02768 -0.25011 -0.27606 0.05036 153 2S -0.04068 0.05111 0.71653 0.10445 0.01789 154 19 H 1S 0.00000 -0.09324 0.00000 0.00000 -0.05902 155 2S 0.00000 0.22036 0.00000 0.00000 -0.15263 156 20 H 1S -0.04898 -0.02768 0.25011 0.27606 0.05036 157 2S 0.04068 0.05111 -0.71653 -0.10445 0.01789 158 21 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00136 159 2S -0.42700 -0.32929 -0.85420 0.04168 0.00695 160 2PX 0.00656 0.00128 0.05071 0.02991 0.04383 161 2PY 0.00616 0.07698 -0.04191 -0.02986 0.05006 162 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 163 3S 1.35543 1.35342 2.86363 -0.44194 -0.02054 164 3PX -0.11318 -0.25808 -0.65495 -0.18013 -1.07641 165 3PY 0.45650 0.17200 0.96879 -0.06256 -0.44095 166 3PZ 0.05636 -0.12542 -0.17149 -0.15485 -0.86912 167 4XX -0.07411 0.23273 0.02379 -0.04084 0.31490 168 4YY 0.17106 -0.51155 0.23117 0.15086 -0.30402 169 4ZZ -0.09889 0.06929 -0.25479 0.07243 0.05379 170 4XY 0.11081 0.11493 -0.06527 -0.43297 -0.64994 171 4XZ 0.16073 0.60833 0.24013 -0.17642 0.18666 172 4YZ 0.13758 0.14044 0.13010 -0.28899 -0.54316 173 22 O 1S 0.02198 -0.04852 0.03128 -0.03037 0.00136 174 2S 0.42700 -0.32930 0.85420 -0.04168 0.00695 175 2PX -0.00656 0.00128 -0.05071 -0.02991 0.04383 176 2PY 0.00616 -0.07698 -0.04191 -0.02985 -0.05007 177 2PZ 0.01053 0.00313 -0.01563 -0.02245 0.03257 178 3S -1.35543 1.35343 -2.86363 0.44194 -0.02054 179 3PX 0.11318 -0.25808 0.65495 0.18013 -1.07640 180 3PY 0.45651 -0.17198 0.96876 -0.06259 0.44110 181 3PZ -0.05629 -0.12545 0.17166 0.15484 -0.86904 182 4XX 0.07411 0.23273 -0.02379 0.04084 0.31490 183 4YY -0.17111 -0.51151 -0.23121 -0.15077 -0.30418 184 4ZZ 0.09893 0.06925 0.25483 -0.07251 0.05395 185 4XY 0.11084 -0.11504 -0.06523 -0.43300 0.64991 186 4XZ -0.16070 0.60831 -0.24014 0.17634 0.18677 187 4YZ 0.13753 -0.14056 0.13000 -0.28901 0.54309 188 23 H 1S 0.00000 -0.07778 0.00000 0.00000 0.00249 189 2S 0.00000 0.16849 0.00000 0.00000 -0.15177 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00621 4.10575 1 1 C 1S 0.00099 0.00437 -0.05714 -0.03379 0.00891 2 2S -0.02736 0.22677 0.08210 0.31080 -0.39546 3 2PX -0.17678 0.01768 0.08613 -0.02376 0.02796 4 2PY 0.40581 -0.01752 0.07880 0.03270 0.02158 5 2PZ -0.16365 -0.00507 0.04918 -0.03624 0.03557 6 3S 0.11097 -1.02811 2.10578 -0.18961 1.45243 7 3PX -0.68054 -0.37075 0.61971 -0.12022 0.55495 8 3PY 1.46898 -0.34323 0.58811 0.03481 0.60835 9 3PZ -0.46001 -0.21248 0.71486 -0.05091 0.45543 10 4XX -0.35291 -0.04134 -0.14037 -0.18801 0.14994 11 4YY 0.64462 -0.00444 0.38793 -0.14226 0.22116 12 4ZZ -0.26142 -0.05608 -0.35634 -0.15354 0.10010 13 4XY 0.27747 -0.13525 -0.55065 0.01525 -0.01981 14 4XZ -0.38719 -0.03622 0.02795 -0.03909 0.07220 15 4YZ 0.31033 -0.08207 -0.45040 0.01224 -0.04285 16 2 C 1S -0.00099 -0.00437 0.05714 -0.03379 -0.00892 17 2S 0.02736 -0.22677 -0.08210 0.31080 0.39549 18 2PX 0.17679 -0.01768 -0.08613 -0.02376 -0.02796 19 2PY 0.40579 -0.01752 0.07881 -0.03269 0.02158 20 2PZ 0.16372 0.00506 -0.04917 -0.03625 -0.03557 21 3S -0.11097 1.02812 -2.10578 -0.18962 -1.45243 22 3PX 0.68054 0.37075 -0.61971 -0.12022 -0.55495 23 3PY 1.46890 -0.34327 0.58823 -0.03481 0.60843 24 3PZ 0.46026 0.21243 -0.71476 -0.05092 -0.45533 25 4XX 0.35291 0.04134 0.14037 -0.18801 -0.14996 26 4YY -0.64471 0.00446 -0.38780 -0.14225 -0.22117 27 4ZZ 0.26151 0.05606 0.35621 -0.15354 -0.10013 28 4XY 0.27740 -0.13525 -0.55065 -0.01525 -0.01980 29 4XZ 0.38724 0.03620 -0.02805 -0.03910 -0.07221 30 4YZ 0.31016 -0.08208 -0.45055 -0.01224 -0.04287 31 3 C 1S 0.00270 0.00737 -0.05161 0.01872 0.02612 32 2S -0.22325 0.37733 -0.09988 -0.25465 -0.58057 33 2PX 0.21132 0.01241 -0.17929 -0.02142 -0.05977 34 2PY 0.14417 -0.05423 -0.05559 0.00596 0.00030 35 2PZ 0.24011 0.02624 -0.11044 -0.02751 -0.03781 36 3S -0.36158 -0.85282 1.91450 0.29237 1.23093 37 3PX 0.85911 -0.08788 -0.11731 -0.05157 0.09006 38 3PY -0.03538 0.47503 -0.86066 -0.18168 -0.81112 39 3PZ 1.12976 -0.03585 0.21903 -0.07150 0.20531 40 4XX -0.15723 -0.07174 0.09819 0.13838 0.26064 41 4YY -0.04296 -0.11037 -0.46048 0.10322 0.20084 42 4ZZ 0.17120 0.02601 0.34372 0.09648 0.23212 43 4XY -0.39086 0.01012 -0.01690 0.03131 0.01394 44 4XZ -0.17255 0.07727 0.44751 0.01483 0.08639 45 4YZ -0.46132 0.01153 0.00056 0.04410 -0.00809 46 4 C 1S 0.00107 0.00688 0.03691 0.06653 0.01616 47 2S -0.06637 0.19564 -0.02986 -0.46104 0.06833 48 2PX 0.03444 0.02766 0.02570 -0.01905 0.03804 49 2PY -0.12631 0.00899 -0.05812 0.02753 -0.01920 50 2PZ 0.12790 -0.05878 0.14380 0.00922 0.03087 51 3S -0.24494 -0.11434 -1.19792 -0.20582 -0.86970 52 3PX 0.09386 -0.34144 0.16162 0.12599 0.03453 53 3PY -0.72622 0.15678 0.02064 -0.03486 0.17295 54 3PZ 0.55360 0.09802 0.32377 0.00222 0.47719 55 4XX -0.01177 -0.01198 0.20102 0.28889 0.05226 56 4YY 0.36522 -0.06425 0.00086 0.24091 0.00120 57 4ZZ -0.34533 -0.00598 -0.07847 0.24874 -0.04221 58 4XY 0.04031 0.02391 0.06245 -0.00048 -0.00707 59 4XZ -0.11566 -0.00297 0.01335 -0.02081 -0.06515 60 4YZ 0.10586 0.03770 0.31212 0.00150 0.01852 61 5 C 1S -0.00107 -0.00688 -0.03691 0.06654 -0.01617 62 2S 0.06637 -0.19564 0.02986 -0.46104 -0.06830 63 2PX -0.03444 -0.02766 -0.02570 -0.01905 -0.03804 64 2PY -0.12628 0.00898 -0.05809 -0.02753 -0.01920 65 2PZ -0.12792 0.05878 -0.14381 0.00922 -0.03088 66 3S 0.24494 0.11434 1.19792 -0.20582 0.86971 67 3PX -0.09386 0.34144 -0.16162 0.12599 -0.03453 68 3PY -0.72613 0.15680 0.02069 0.03486 0.17303 69 3PZ -0.55372 -0.09800 -0.32377 0.00222 -0.47716 70 4XX 0.01177 0.01198 -0.20102 0.28890 -0.05228 71 4YY -0.36525 0.06424 -0.00095 0.24091 -0.00122 72 4ZZ 0.34536 0.00599 0.07856 0.24874 0.04220 73 4XY 0.04029 0.02391 0.06245 0.00048 -0.00708 74 4XZ 0.11567 0.00297 -0.01334 -0.02081 0.06515 75 4YZ 0.10572 0.03771 0.31211 -0.00150 0.01852 76 6 C 1S -0.00270 -0.00737 0.05161 0.01872 -0.02612 77 2S 0.22325 -0.37733 0.09988 -0.25465 0.58060 78 2PX -0.21132 -0.01241 0.17929 -0.02142 0.05977 79 2PY 0.14421 -0.05423 -0.05561 -0.00595 0.00030 80 2PZ -0.24008 -0.02625 0.11043 -0.02751 0.03781 81 3S 0.36158 0.85281 -1.91451 0.29236 -1.23092 82 3PX -0.85911 0.08788 0.11731 -0.05157 -0.09006 83 3PY -0.03518 0.47502 -0.86063 0.18169 -0.81108 84 3PZ -1.12977 0.03594 -0.21917 -0.07147 -0.20545 85 4XX 0.15723 0.07174 -0.09818 0.13838 -0.26065 86 4YY 0.04310 0.11036 0.46048 0.10323 -0.20086 87 4ZZ -0.17133 -0.02601 -0.34372 0.09646 -0.23214 88 4XY -0.39089 0.01013 -0.01682 -0.03131 0.01395 89 4XZ 0.17248 -0.07727 -0.44751 0.01483 -0.08639 90 4YZ -0.46128 0.01155 0.00072 -0.04409 -0.00809 91 7 H 1S 0.00031 0.07450 0.29571 0.03219 0.00484 92 2S 0.02803 -0.12661 0.07924 -0.03813 0.21909 93 8 H 1S -0.00031 -0.07450 -0.29571 0.03219 -0.00483 94 2S -0.02803 0.12661 -0.07924 -0.03813 -0.21909 95 9 H 1S 0.03106 0.04413 0.20524 -0.01768 -0.00165 96 2S 0.00283 -0.14005 0.04752 0.08714 0.23778 97 10 H 1S 0.01114 0.03982 -0.04580 -0.01862 0.10073 98 2S -0.00858 0.10169 0.09748 -0.03428 -0.14548 99 11 H 1S -0.01114 -0.03982 0.04580 -0.01862 -0.10073 100 2S 0.00858 -0.10169 -0.09748 -0.03428 0.14548 101 12 H 1S -0.03106 -0.04413 -0.20524 -0.01768 0.00165 102 2S -0.00283 0.14005 -0.04752 0.08714 -0.23778 103 13 H 1S -0.00178 0.03760 -0.01599 -0.02332 0.01833 104 2S -0.00279 0.13850 -0.07819 0.11747 0.06011 105 14 H 1S 0.00178 -0.03760 0.01599 -0.02332 -0.01832 106 2S 0.00279 -0.13850 0.07819 0.11747 -0.06012 107 15 C 1S -0.01522 0.05496 -0.02321 -0.01586 0.08292 108 2S -0.20092 0.14353 -0.05594 0.24707 -0.77032 109 2PX 0.01440 -0.40497 0.06174 -0.05284 0.15495 110 2PY 0.06655 0.23589 -0.03992 0.04193 0.10383 111 2PZ -0.03110 -0.19923 0.03805 -0.00441 0.06218 112 3S 1.13268 -2.85753 1.07598 -0.87278 2.53947 113 3PX 0.19106 -1.00645 0.26718 -0.33959 1.11914 114 3PY 0.48969 -0.28824 0.34373 0.07261 0.49192 115 3PZ 0.48591 -1.49293 0.47216 -0.33694 1.34340 116 4XX -0.03892 -0.30788 0.04763 -0.04392 0.40574 117 4YY 0.12586 0.24502 -0.03997 -0.07698 0.50486 118 4ZZ -0.00489 0.00969 -0.03496 -0.05315 0.37536 119 4XY -0.02562 0.44149 -0.06488 -0.08593 0.01244 120 4XZ 0.03147 -0.47074 0.07862 -0.05438 0.12129 121 4YZ -0.01449 0.33453 -0.07141 -0.06455 0.03972 122 16 C 1S 0.01522 -0.05496 0.02321 -0.01587 -0.08293 123 2S 0.20092 -0.14353 0.05594 0.24708 0.77036 124 2PX -0.01440 0.40497 -0.06174 -0.05284 -0.15496 125 2PY 0.06654 0.23586 -0.03991 -0.04193 0.10384 126 2PZ 0.03111 0.19927 -0.03806 -0.00441 -0.06217 127 3S -1.13267 2.85753 -1.07598 -0.87278 -2.53946 128 3PX -0.19106 1.00645 -0.26718 -0.33958 -1.11914 129 3PY 0.48977 -0.28850 0.34381 -0.07256 0.49215 130 3PZ -0.48582 1.49288 -0.47210 -0.33695 -1.34332 131 4XX 0.03892 0.30789 -0.04763 -0.04392 -0.40577 132 4YY -0.12586 -0.24512 0.03999 -0.07700 -0.50490 133 4ZZ 0.00489 -0.00960 0.03493 -0.05313 -0.37537 134 4XY -0.02561 0.44141 -0.06487 0.08594 0.01246 135 4XZ -0.03147 0.47082 -0.07863 -0.05436 -0.12129 136 4YZ -0.01452 0.33448 -0.07141 0.06454 0.03969 137 17 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00000 138 2S 0.00000 0.00000 0.00000 0.95151 0.00000 139 2PX 0.00000 0.00000 0.00000 0.13752 0.00000 140 2PY -0.14721 -0.36052 0.02385 -0.00001 -0.06093 141 2PZ -0.00001 -0.00003 0.00000 0.11879 -0.00001 142 3S 0.00000 0.00000 0.00000 -2.06033 -0.00001 143 3PX 0.00000 0.00000 0.00000 0.55600 0.00000 144 3PY -0.11067 -0.80259 0.11803 -0.00005 -0.41056 145 3PZ -0.00001 -0.00007 0.00001 0.60170 -0.00003 146 4XX 0.00000 0.00000 0.00000 -0.55713 0.00000 147 4YY -0.00001 -0.00005 0.00001 -0.37552 0.00002 148 4ZZ 0.00001 0.00005 -0.00001 -0.55297 -0.00001 149 4XY 0.09550 0.36565 -0.03343 0.00000 -0.04177 150 4XZ 0.00001 0.00003 0.00000 -0.05093 0.00000 151 4YZ 0.09449 0.34659 -0.03846 0.00002 -0.11136 152 18 H 1S -0.01791 0.14805 -0.05656 0.08758 0.07018 153 2S -0.14515 0.20832 -0.09786 -0.04062 -0.40000 154 19 H 1S 0.00000 0.00000 0.00000 0.22973 0.00000 155 2S 0.00000 0.00000 0.00000 -0.03671 0.00000 156 20 H 1S 0.01791 -0.14805 0.05656 0.08758 -0.07018 157 2S 0.14515 -0.20832 0.09786 -0.04062 0.39999 158 21 O 1S 0.00778 0.00147 -0.00816 -0.38220 0.40004 159 2S 0.14687 -0.41006 0.13659 -0.38931 0.57620 160 2PX 0.00761 -0.00747 -0.00147 0.05583 -0.07600 161 2PY 0.00948 0.02955 -0.00258 -0.13500 0.17065 162 2PZ 0.00771 -0.00939 0.00616 0.02055 -0.00397 163 3S -0.59133 1.45536 -0.40937 4.65327 -5.24248 164 3PX 0.06261 -1.36953 0.28266 -0.18049 0.81934 165 3PY -0.20474 -0.03391 -0.06797 0.95525 -0.82546 166 3PZ -0.02831 -0.98151 0.16644 -0.01574 0.39197 167 4XX -0.00149 0.50056 -0.12340 -1.23307 1.20347 168 4YY -0.04089 -0.38764 0.02775 -1.13386 1.25947 169 4ZZ 0.04663 0.13356 -0.04519 -1.29785 1.35578 170 4XY -0.04401 -0.42488 0.07218 0.03973 0.14553 171 4XZ -0.02099 0.40039 -0.06588 0.08294 -0.23278 172 4YZ -0.07277 -0.38088 0.05783 0.08592 0.07045 173 22 O 1S -0.00778 -0.00147 0.00816 -0.38220 -0.40005 174 2S -0.14687 0.41006 -0.13659 -0.38931 -0.57620 175 2PX -0.00761 0.00747 0.00147 0.05583 0.07600 176 2PY 0.00948 0.02955 -0.00258 0.13500 0.17065 177 2PZ -0.00771 0.00940 -0.00616 0.02058 0.00400 178 3S 0.59133 -1.45537 0.40937 4.65326 5.24250 179 3PX -0.06261 1.36953 -0.28266 -0.18049 -0.81934 180 3PY -0.20475 -0.03408 -0.06795 -0.95524 -0.82540 181 3PZ 0.02828 0.98150 -0.16645 -0.01590 -0.39211 182 4XX 0.00149 -0.50056 0.12340 -1.23307 -1.20347 183 4YY 0.04091 0.38775 -0.02777 -1.13383 -1.25949 184 4ZZ -0.04665 -0.13367 0.04520 -1.29788 -1.35577 185 4XY -0.04402 -0.42481 0.07217 -0.03975 0.14549 186 4XZ 0.02098 -0.40046 0.06589 0.08293 0.23281 187 4YZ -0.07275 -0.38078 0.05782 -0.08589 0.07047 188 23 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 189 2S 0.00000 0.00000 0.00000 0.00610 0.00000 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25203 4.26809 4.36206 4.37018 1 1 C 1S -0.19907 0.26090 -0.08460 -0.04540 -0.23407 2 2S 1.36018 -1.42303 0.52574 0.30996 1.44017 3 2PX -0.01081 0.10547 -0.01642 0.01671 -0.05131 4 2PY 0.05856 -0.05467 0.03044 -0.00792 -0.17044 5 2PZ 0.00894 0.06996 0.00807 0.04122 -0.01014 6 3S 0.35631 -1.12985 0.30806 -0.08070 0.43243 7 3PX -0.04305 -0.24740 0.00224 -0.07930 -0.22249 8 3PY -0.02079 0.03256 -0.08951 0.01355 0.12382 9 3PZ -0.07003 -0.16174 -0.04673 -0.08661 -0.35811 10 4XX -0.78721 1.01434 -0.31981 -0.15062 -0.89775 11 4YY -0.73405 0.88722 -0.30691 -0.16344 -1.13782 12 4ZZ -0.78827 1.02343 -0.33941 -0.17311 -0.89949 13 4XY 0.00316 -0.02561 0.00046 -0.02792 0.02962 14 4XZ -0.01737 0.02811 -0.01100 0.00842 -0.00805 15 4YZ -0.00185 -0.03115 -0.00867 -0.04187 -0.00223 16 2 C 1S -0.19907 0.26089 -0.08460 -0.04540 0.23407 17 2S 1.36017 -1.42302 0.52573 0.30994 -1.44018 18 2PX -0.01080 0.10547 -0.01642 0.01671 0.05131 19 2PY -0.05856 0.05465 -0.03044 0.00791 -0.17044 20 2PZ 0.00893 0.06997 0.00807 0.04122 0.01011 21 3S 0.35635 -1.12985 0.30805 -0.08071 -0.43243 22 3PX -0.04303 -0.24739 0.00224 -0.07930 0.22249 23 3PY 0.02078 -0.03253 0.08952 -0.01354 0.12376 24 3PZ -0.07001 -0.16175 -0.04671 -0.08661 0.35813 25 4XX -0.78720 1.01434 -0.31980 -0.15060 0.89776 26 4YY -0.73405 0.88721 -0.30691 -0.16343 1.13782 27 4ZZ -0.78826 1.02344 -0.33940 -0.17309 0.89950 28 4XY -0.00316 0.02561 -0.00046 0.02792 0.02962 29 4XZ -0.01737 0.02811 -0.01100 0.00843 0.00806 30 4YZ 0.00186 0.03112 0.00868 0.04187 -0.00218 31 3 C 1S -0.10991 -0.06750 -0.02797 -0.12708 0.19384 32 2S 0.69616 0.34296 0.06221 0.55856 -0.67731 33 2PX -0.05141 0.09098 -0.03158 -0.00725 0.09422 34 2PY -0.04692 0.05453 -0.00658 0.02418 -0.04397 35 2PZ -0.00560 0.10239 -0.00155 0.01738 0.02712 36 3S 0.23766 0.50315 0.05702 0.67991 -1.49643 37 3PX -0.03896 -0.16176 0.10917 0.07503 0.08011 38 3PY -0.00495 -0.15509 -0.10793 -0.10218 0.70494 39 3PZ -0.03951 -0.19922 0.06666 -0.13906 -0.01780 40 4XX -0.38371 -0.31950 -0.04963 -0.40209 0.61315 41 4YY -0.43502 -0.27952 -0.10324 -0.49492 0.60516 42 4ZZ -0.33223 -0.22100 -0.01354 -0.40651 0.54938 43 4XY 0.03497 -0.07466 -0.01679 -0.03141 -0.05350 44 4XZ 0.07329 -0.04743 0.02946 -0.03617 -0.13773 45 4YZ -0.00687 -0.09566 -0.01762 -0.00655 -0.01178 46 4 C 1S -0.14562 -0.21557 -0.11469 -0.13169 0.11915 47 2S 0.90784 1.08855 0.64713 0.60509 -0.82002 48 2PX -0.00340 0.01852 -0.01041 -0.04726 0.01355 49 2PY -0.02243 -0.00013 -0.01533 0.01490 -0.03980 50 2PZ -0.01942 0.03381 0.03516 0.03760 -0.02207 51 3S 0.48740 0.94700 0.35305 0.53370 0.07874 52 3PX 0.01736 -0.02335 0.07101 0.18572 -0.21851 53 3PY 0.06769 0.06734 0.01879 0.02671 -0.13379 54 3PZ 0.08593 -0.04604 0.02133 -0.07456 -0.30255 55 4XX -0.57847 -0.82329 -0.44143 -0.48416 0.48339 56 4YY -0.50052 -0.70370 -0.39407 -0.42637 0.56236 57 4ZZ -0.56882 -0.80156 -0.46359 -0.45553 0.46910 58 4XY -0.00709 0.00234 0.00011 0.00630 0.01886 59 4XZ 0.00277 0.01461 -0.01213 0.01370 -0.02760 60 4YZ -0.01476 -0.01444 -0.00122 -0.04840 0.03771 61 5 C 1S -0.14561 -0.21557 -0.11469 -0.13169 -0.11915 62 2S 0.90784 1.08855 0.64713 0.60510 0.82000 63 2PX -0.00340 0.01852 -0.01041 -0.04726 -0.01355 64 2PY 0.02244 0.00013 0.01532 -0.01490 -0.03980 65 2PZ -0.01942 0.03381 0.03516 0.03760 0.02206 66 3S 0.48737 0.94700 0.35305 0.53370 -0.07875 67 3PX 0.01736 -0.02335 0.07101 0.18573 0.21851 68 3PY -0.06771 -0.06734 -0.01880 -0.02670 -0.13384 69 3PZ 0.08593 -0.04605 0.02132 -0.07456 0.30253 70 4XX -0.57847 -0.82329 -0.44143 -0.48417 -0.48338 71 4YY -0.50052 -0.70370 -0.39407 -0.42639 -0.56236 72 4ZZ -0.56882 -0.80155 -0.46359 -0.45552 -0.46908 73 4XY 0.00709 -0.00234 -0.00011 -0.00630 0.01886 74 4XZ 0.00277 0.01461 -0.01213 0.01370 0.02760 75 4YZ 0.01477 0.01446 0.00123 0.04841 0.03769 76 6 C 1S -0.10991 -0.06750 -0.02797 -0.12708 -0.19384 77 2S 0.69615 0.34296 0.06221 0.55857 0.67731 78 2PX -0.05141 0.09098 -0.03158 -0.00725 -0.09422 79 2PY 0.04693 -0.05455 0.00658 -0.02418 -0.04397 80 2PZ -0.00559 0.10238 -0.00155 0.01737 -0.02712 81 3S 0.23769 0.50315 0.05702 0.67993 1.49643 82 3PX -0.03896 -0.16176 0.10917 0.07503 -0.08011 83 3PY 0.00498 0.15513 0.10792 0.10221 0.70493 84 3PZ -0.03950 -0.19919 0.06667 -0.13904 0.01792 85 4XX -0.38371 -0.31949 -0.04963 -0.40210 -0.61316 86 4YY -0.43502 -0.27954 -0.10324 -0.49493 -0.60516 87 4ZZ -0.33222 -0.22097 -0.01354 -0.40651 -0.54939 88 4XY -0.03498 0.07467 0.01678 0.03142 -0.05353 89 4XZ 0.07329 -0.04741 0.02947 -0.03616 0.13772 90 4YZ 0.00685 0.09565 0.01760 0.00653 -0.01179 91 7 H 1S 0.08719 -0.09944 0.02932 0.04029 0.06156 92 2S -0.18577 0.14601 -0.12020 -0.09049 -0.28247 93 8 H 1S 0.08719 -0.09944 0.02932 0.04029 -0.06156 94 2S -0.18576 0.14601 -0.12020 -0.09048 0.28247 95 9 H 1S 0.06190 0.03235 0.03186 0.04767 -0.07622 96 2S -0.09577 -0.01853 0.01563 -0.11207 -0.06930 97 10 H 1S 0.06194 0.06902 0.03397 0.02826 -0.03716 98 2S -0.18200 -0.21814 -0.14851 -0.26752 0.21408 99 11 H 1S 0.06195 0.06902 0.03397 0.02826 0.03716 100 2S -0.18201 -0.21814 -0.14851 -0.26752 -0.21408 101 12 H 1S 0.06190 0.03235 0.03186 0.04767 0.07622 102 2S -0.09576 -0.01853 0.01563 -0.11207 0.06930 103 13 H 1S 0.05448 0.05965 0.04197 0.05722 0.08179 104 2S -0.17674 -0.22840 -0.07682 -0.01556 -0.14863 105 14 H 1S 0.05449 0.05965 0.04197 0.05722 -0.08179 106 2S -0.17674 -0.22840 -0.07682 -0.01556 0.14863 107 15 C 1S -0.19129 -0.07297 0.14515 0.25574 -0.11796 108 2S 1.23013 0.54256 -0.63422 -1.30939 0.92776 109 2PX -0.05215 -0.01534 0.00532 0.01098 -0.03725 110 2PY 0.06975 0.06631 0.00608 -0.03772 -0.08656 111 2PZ -0.03585 -0.00411 0.04881 0.08642 -0.03192 112 3S 0.46729 -0.12373 -0.41161 -1.23922 0.31617 113 3PX 0.05189 -0.27416 0.01900 0.02013 0.32891 114 3PY -0.03773 -0.04786 -0.18472 0.09217 -0.03821 115 3PZ -0.00228 -0.29389 -0.16509 -0.24564 -0.02353 116 4XX -0.77668 -0.32343 0.50713 0.99707 -0.55962 117 4YY -0.69153 -0.27498 0.44732 0.87275 -0.64060 118 4ZZ -0.76246 -0.32067 0.52729 0.98210 -0.51960 119 4XY 0.01170 0.00350 -0.02672 -0.04985 0.03220 120 4XZ -0.01768 -0.06142 -0.00855 0.06508 -0.00593 121 4YZ -0.00492 0.02031 0.00692 0.00399 -0.00791 122 16 C 1S -0.19128 -0.07297 0.14515 0.25574 0.11795 123 2S 1.23010 0.54256 -0.63422 -1.30940 -0.92775 124 2PX -0.05215 -0.01534 0.00532 0.01098 0.03725 125 2PY -0.06974 -0.06631 -0.00609 0.03770 -0.08656 126 2PZ -0.03586 -0.00412 0.04881 0.08643 0.03191 127 3S 0.46737 -0.12372 -0.41162 -1.23922 -0.31616 128 3PX 0.05192 -0.27415 0.01900 0.02013 -0.32891 129 3PY 0.03771 0.04791 0.18474 -0.09213 -0.03822 130 3PZ -0.00223 -0.29388 -0.16506 -0.24566 0.02353 131 4XX -0.77667 -0.32342 0.50712 0.99708 0.55961 132 4YY -0.69151 -0.27497 0.44733 0.87275 0.64059 133 4ZZ -0.76245 -0.32067 0.52729 0.98210 0.51959 134 4XY -0.01169 -0.00349 0.02672 0.04984 0.03220 135 4XZ -0.01768 -0.06142 -0.00855 0.06509 0.00593 136 4YZ 0.00493 -0.02030 -0.00693 -0.00401 -0.00788 137 17 C 1S 0.06724 -0.05282 -0.40592 0.21153 0.00000 138 2S -0.25831 0.37115 2.24815 -1.34962 0.00001 139 2PX 0.00837 0.05117 0.11161 -0.04492 0.00000 140 2PY 0.00000 -0.00001 -0.00001 0.00000 0.00150 141 2PZ 0.00504 0.06355 0.10704 -0.04134 0.00000 142 3S -0.67835 -0.51184 2.05283 -1.32868 0.00001 143 3PX 0.13193 0.20290 -0.09317 -0.02952 0.00000 144 3PY 0.00000 -0.00001 0.00000 0.00000 -0.14476 145 3PZ 0.09210 0.13861 -0.02571 -0.04791 -0.00001 146 4XX 0.21283 -0.22465 -1.53737 0.88464 -0.00001 147 4YY 0.23197 -0.21334 -1.73828 0.98687 -0.00001 148 4ZZ 0.22388 -0.24401 -1.56213 0.85071 -0.00001 149 4XY 0.00000 0.00000 0.00000 -0.00001 -0.00710 150 4XZ -0.03895 -0.03610 -0.03269 0.07873 0.00000 151 4YZ 0.00000 0.00000 -0.00002 0.00001 -0.00642 152 18 H 1S 0.09945 0.01252 -0.08137 -0.07090 -0.08960 153 2S -0.18690 -0.17307 0.01697 0.20806 0.13721 154 19 H 1S 0.00038 0.06945 0.08060 -0.02108 0.00000 155 2S 0.13001 0.03731 -0.44945 0.33236 0.00000 156 20 H 1S 0.09945 0.01252 -0.08137 -0.07090 0.08960 157 2S -0.18691 -0.17307 0.01697 0.20806 -0.13721 158 21 O 1S -0.01897 -0.09694 0.06219 -0.11349 0.05526 159 2S -0.04202 -0.20537 -0.03585 -0.09094 0.03459 160 2PX -0.03446 -0.00225 0.04231 0.04605 -0.02270 161 2PY -0.00361 -0.02741 0.05073 -0.07974 0.03103 162 2PZ -0.03322 -0.00118 0.03427 0.01602 -0.02039 163 3S 0.27722 1.47839 -0.67570 1.52542 -0.68519 164 3PX -0.02118 -0.14841 0.04669 -0.11363 -0.04064 165 3PY 0.10419 0.36497 0.07354 0.10067 -0.06050 166 3PZ 0.01860 -0.05676 0.08288 0.00384 0.00981 167 4XX -0.00420 -0.26615 0.16931 -0.44034 0.23252 168 4YY -0.07114 -0.25329 0.41479 -0.46459 0.18870 169 4ZZ -0.03523 -0.31329 0.17578 -0.43531 0.19910 170 4XY -0.04944 -0.01880 0.14322 -0.02004 -0.03238 171 4XZ 0.06883 0.07568 0.01342 -0.13458 0.04372 172 4YZ -0.02818 0.01156 0.14880 -0.02490 -0.02478 173 22 O 1S -0.01896 -0.09694 0.06219 -0.11349 -0.05526 174 2S -0.04200 -0.20537 -0.03585 -0.09094 -0.03459 175 2PX -0.03447 -0.00225 0.04231 0.04605 0.02270 176 2PY 0.00361 0.02741 -0.05074 0.07973 0.03102 177 2PZ -0.03322 -0.00118 0.03427 0.01603 0.02040 178 3S 0.27706 1.47837 -0.67570 1.52542 0.68518 179 3PX -0.02116 -0.14841 0.04669 -0.11363 0.04064 180 3PY -0.10417 -0.36496 -0.07356 -0.10067 -0.06050 181 3PZ 0.01860 -0.05682 0.08287 0.00382 -0.00982 182 4XX -0.00416 -0.26614 0.16931 -0.44034 -0.23251 183 4YY -0.07111 -0.25328 0.41483 -0.46459 -0.18869 184 4ZZ -0.03518 -0.31329 0.17573 -0.43530 -0.19911 185 4XY 0.04943 0.01879 -0.14322 0.02006 -0.03237 186 4XZ 0.06883 0.07569 0.01340 -0.13458 -0.04372 187 4YZ 0.02817 -0.01155 -0.14875 0.02489 -0.02478 188 23 H 1S 0.00423 0.05875 0.08711 -0.02327 0.00000 189 2S 0.07079 -0.04080 -0.42367 0.27737 0.00000 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64965 4.87449 1 1 C 1S 0.04280 0.24217 -0.03737 -0.11023 2 2S -0.21216 -1.19024 0.29999 0.33660 3 2PX 0.09757 0.08943 -0.01815 -0.05852 4 2PY -0.08020 0.11208 -0.02021 0.02657 5 2PZ 0.08308 0.06554 -0.01300 -0.07667 6 3S -0.59545 -2.23761 0.13878 3.99599 7 3PX -0.15488 -0.42202 -0.08790 1.25042 8 3PY 0.05354 -0.47940 -0.09226 0.81441 9 3PZ -0.11880 -0.33627 -0.07154 1.24689 10 4XX 0.21908 0.88230 -0.17575 -0.40026 11 4YY 0.18359 1.09651 -0.25488 -0.47316 12 4ZZ 0.22463 0.90363 -0.16786 -0.40658 13 4XY -0.10512 -0.05596 0.05226 0.12983 14 4XZ 0.07638 0.02439 -0.04121 -0.07579 15 4YZ -0.07636 -0.05261 -0.00127 0.11044 16 2 C 1S 0.04279 -0.24217 0.03737 0.11023 17 2S -0.21214 1.19025 -0.29999 -0.33660 18 2PX 0.09757 -0.08944 0.01815 0.05852 19 2PY 0.08019 0.11209 -0.02021 0.02656 20 2PZ 0.08309 -0.06552 0.01300 0.07667 21 3S -0.59542 2.23762 -0.13879 -3.99599 22 3PX -0.15488 0.42202 0.08790 -1.25042 23 3PY -0.05352 -0.47946 -0.09228 0.81463 24 3PZ -0.11881 0.33619 0.07152 -1.24675 25 4XX 0.21906 -0.88231 0.17575 0.40026 26 4YY 0.18354 -1.09650 0.25489 0.47312 27 4ZZ 0.22464 -0.90366 0.16786 0.40661 28 4XY 0.10510 -0.05596 0.05225 0.12982 29 4XZ 0.07640 -0.02440 0.04122 0.07581 30 4YZ 0.07635 -0.05265 -0.00125 0.11046 31 3 C 1S -0.31019 0.01767 -0.06330 -0.39729 32 2S 1.68116 -0.20887 0.63544 0.86942 33 2PX 0.01697 -0.06182 0.02304 -0.03926 34 2PY 0.09743 -0.04326 0.02358 0.23823 35 2PZ 0.00166 -0.06096 0.02871 0.00260 36 3S 2.08459 -0.18119 0.58300 5.57569 37 3PX 0.10552 0.23121 -0.07557 0.02225 38 3PY -0.20669 0.16621 -0.01747 -2.17149 39 3PZ 0.09638 0.15244 0.18172 0.16656 40 4XX -1.20503 0.20745 -0.35224 -1.24843 41 4YY -1.18910 0.11227 -0.29726 -1.23879 42 4ZZ -1.30358 0.06088 -0.44323 -1.26345 43 4XY -0.03523 0.04980 0.04074 -0.05450 44 4XZ -0.10807 0.04977 -0.03871 -0.08153 45 4YZ 0.01143 0.09009 0.02058 -0.02981 46 4 C 1S 0.16798 0.21053 0.29789 0.02103 47 2S -0.86756 -1.00766 -1.24072 -0.07128 48 2PX -0.01012 -0.02444 0.02140 -0.03682 49 2PY 0.02351 -0.03247 -0.02923 0.01344 50 2PZ -0.07698 -0.03357 -0.10518 0.09486 51 3S -1.27575 -1.69262 -2.92582 -2.19370 52 3PX 0.00799 0.11098 -0.25116 0.69995 53 3PY -0.12525 0.16533 0.45995 0.12982 54 3PZ 0.23329 0.09184 0.38998 0.65229 55 4XX 0.64204 0.75620 1.00221 0.04238 56 4YY 0.57649 0.86670 1.18726 0.08414 57 4ZZ 0.75185 0.74113 1.07430 0.10626 58 4XY -0.02899 -0.02893 -0.00100 -0.03454 59 4XZ 0.05157 -0.00088 0.01517 0.05015 60 4YZ -0.09802 -0.01051 -0.07547 -0.09365 61 5 C 1S 0.16798 -0.21053 -0.29789 -0.02103 62 2S -0.86757 1.00767 1.24072 0.07128 63 2PX -0.01012 0.02444 -0.02140 0.03682 64 2PY -0.02349 -0.03248 -0.02924 0.01345 65 2PZ -0.07698 0.03356 0.10518 -0.09486 66 3S -1.27575 1.69263 2.92582 2.19370 67 3PX 0.00799 -0.11098 0.25116 -0.69995 68 3PY 0.12521 0.16534 0.46001 0.12993 69 3PZ 0.23331 -0.09182 -0.38990 -0.65226 70 4XX 0.64204 -0.75621 -1.00221 -0.04238 71 4YY 0.57646 -0.86671 -1.18723 -0.08411 72 4ZZ 0.75188 -0.74114 -1.07432 -0.10628 73 4XY 0.02898 -0.02893 -0.00099 -0.03453 74 4XZ 0.05157 0.00087 -0.01517 -0.05016 75 4YZ 0.09799 -0.01054 -0.07549 -0.09365 76 6 C 1S -0.31019 -0.01767 0.06330 0.39729 77 2S 1.68116 0.20885 -0.63543 -0.86942 78 2PX 0.01697 0.06182 -0.02304 0.03927 79 2PY -0.09743 -0.04326 0.02359 0.23823 80 2PZ 0.00165 0.06095 -0.02871 -0.00256 81 3S 2.08458 0.18117 -0.58299 -5.57568 82 3PX 0.10552 -0.23121 0.07557 -0.02225 83 3PY 0.20667 0.16623 -0.01744 -2.17146 84 3PZ 0.09641 -0.15241 -0.18172 -0.16692 85 4XX -1.20503 -0.20744 0.35223 1.24844 86 4YY -1.18910 -0.11228 0.29725 1.23880 87 4ZZ -1.30357 -0.06084 0.44323 1.26345 88 4XY 0.03525 0.04981 0.04074 -0.05452 89 4XZ -0.10807 -0.04976 0.03872 0.08152 90 4YZ -0.01141 0.09008 0.02056 -0.02981 91 7 H 1S 0.00537 -0.07286 0.00564 0.04270 92 2S 0.02407 0.06615 -0.11385 0.30473 93 8 H 1S 0.00537 0.07286 -0.00564 -0.04270 94 2S 0.02407 -0.06615 0.11385 -0.30472 95 9 H 1S 0.05467 -0.03349 0.00482 0.08320 96 2S -0.29990 -0.04597 -0.07286 0.13425 97 10 H 1S -0.01870 -0.00393 0.06363 0.04794 98 2S 0.21773 0.17506 0.41160 -0.18191 99 11 H 1S -0.01870 0.00393 -0.06363 -0.04794 100 2S 0.21773 -0.17506 -0.41160 0.18192 101 12 H 1S 0.05467 0.03349 -0.00482 -0.08320 102 2S -0.29990 0.04597 0.07285 -0.13426 103 13 H 1S -0.01389 -0.00437 0.00313 -0.14580 104 2S 0.13792 -0.27344 -0.14864 -0.16922 105 14 H 1S -0.01389 0.00437 -0.00313 0.14580 106 2S 0.13793 0.27344 0.14865 0.16922 107 15 C 1S 0.00633 -0.17834 0.24161 -0.21137 108 2S 0.16524 0.98152 -0.91675 0.15203 109 2PX -0.00813 -0.01938 -0.00521 0.08698 110 2PY -0.00338 -0.09664 0.10304 -0.04914 111 2PZ -0.01511 -0.02680 0.11076 -0.04975 112 3S -0.34571 1.01616 -3.28322 5.19184 113 3PX 0.09569 -0.41270 -0.36043 0.33781 114 3PY 0.12758 0.07954 -1.05937 1.23569 115 3PZ -0.04665 -0.34429 -0.93871 1.67717 116 4XX -0.07569 -0.72296 0.85733 -0.48358 117 4YY -0.01734 -0.85064 0.97511 -0.67533 118 4ZZ -0.02158 -0.68691 0.83961 -0.56737 119 4XY -0.01692 0.02066 0.00859 -0.00885 120 4XZ 0.01704 -0.07022 -0.00944 0.01514 121 4YZ 0.00893 0.04284 -0.04805 0.04246 122 16 C 1S 0.00633 0.17835 -0.24161 0.21137 123 2S 0.16523 -0.98153 0.91675 -0.15203 124 2PX -0.00813 0.01938 0.00521 -0.08698 125 2PY 0.00339 -0.09664 0.10306 -0.04915 126 2PZ -0.01510 0.02678 -0.11074 0.04974 127 3S -0.34572 -1.01617 3.28323 -5.19185 128 3PX 0.09570 0.41270 0.36043 -0.33781 129 3PY -0.12756 0.07948 -1.05953 1.23597 130 3PZ -0.04667 0.34430 0.93853 -1.67697 131 4XX -0.07568 0.72297 -0.85733 0.48358 132 4YY -0.01733 0.85063 -0.97510 0.67532 133 4ZZ -0.02157 0.68692 -0.83963 0.56739 134 4XY 0.01692 0.02065 0.00859 -0.00884 135 4XZ 0.01705 0.07022 0.00945 -0.01514 136 4YZ -0.00893 0.04288 -0.04808 0.04248 137 17 C 1S -0.08865 0.00000 0.00000 0.00000 138 2S 0.39750 0.00000 0.00000 0.00000 139 2PX 0.04051 0.00000 0.00000 0.00000 140 2PY 0.00000 -0.01241 0.02390 -0.07390 141 2PZ -0.00770 0.00000 0.00000 -0.00001 142 3S 0.79398 0.00000 0.00000 0.00000 143 3PX -0.21555 0.00000 0.00000 0.00000 144 3PY -0.00001 -0.15140 0.07408 -0.10265 145 3PZ 0.06601 -0.00001 0.00001 -0.00001 146 4XX -0.33208 0.00000 0.00000 0.00000 147 4YY -0.33348 0.00000 0.00000 0.00001 148 4ZZ -0.31768 0.00000 0.00000 -0.00001 149 4XY 0.00000 0.01475 0.01885 0.00690 150 4XZ 0.00227 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00054 0.02228 -0.04361 152 18 H 1S 0.03105 0.03384 0.07911 0.01537 153 2S 0.07584 0.31712 0.14415 -0.19376 154 19 H 1S -0.02611 0.00000 0.00000 0.00000 155 2S -0.23886 0.00000 0.00000 0.00000 156 20 H 1S 0.03105 -0.03384 -0.07911 -0.01537 157 2S 0.07584 -0.31712 -0.14415 0.19376 158 21 O 1S 0.02248 0.02131 -0.07046 0.15857 159 2S 0.01413 -0.04384 -0.12989 0.41042 160 2PX 0.00745 -0.03175 0.02760 -0.06403 161 2PY 0.01810 0.02827 -0.03199 0.06994 162 2PZ 0.01785 -0.00969 0.01485 -0.00946 163 3S -0.30192 -0.07637 1.41386 -3.01478 164 3PX -0.05695 -0.15156 -0.21138 0.68382 165 3PY -0.08102 0.00408 0.18131 -0.45750 166 3PZ -0.09218 -0.14396 -0.03793 0.20503 167 4XX 0.09222 0.15360 -0.24682 0.44275 168 4YY 0.09752 0.07910 -0.24804 0.51734 169 4ZZ 0.06838 0.10319 -0.25742 0.55333 170 4XY 0.02039 -0.06395 0.02900 0.03263 171 4XZ 0.02571 0.09104 -0.09141 -0.00221 172 4YZ 0.01583 -0.05793 0.02231 -0.00450 173 22 O 1S 0.02248 -0.02131 0.07046 -0.15857 174 2S 0.01413 0.04384 0.12989 -0.41042 175 2PX 0.00745 0.03175 -0.02760 0.06403 176 2PY -0.01810 0.02827 -0.03198 0.06994 177 2PZ 0.01785 0.00969 -0.01485 0.00948 178 3S -0.30193 0.07637 -1.41386 3.01478 179 3PX -0.05694 0.15156 0.21138 -0.68382 180 3PY 0.08104 0.00405 0.18130 -0.45747 181 3PZ -0.09216 0.14396 0.03796 -0.20511 182 4XX 0.09223 -0.15360 0.24682 -0.44275 183 4YY 0.09753 -0.07908 0.24804 -0.51734 184 4ZZ 0.06837 -0.10320 0.25742 -0.55333 185 4XY -0.02040 -0.06394 0.02899 0.03263 186 4XZ 0.02571 -0.09105 0.09142 0.00222 187 4YZ -0.01583 -0.05792 0.02231 -0.00449 188 23 H 1S 0.02022 0.00000 0.00000 0.00000 189 2S -0.02663 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX 0.00133 0.00226 0.36896 4 2PY 0.00053 0.00162 0.00011 0.41335 5 2PZ -0.00083 0.00777 0.03332 -0.00266 0.39023 6 3S -0.16067 0.24765 -0.01951 0.01123 -0.02947 7 3PX 0.00664 -0.02275 0.18141 0.01274 -0.07523 8 3PY 0.00378 -0.01621 0.01322 0.13842 -0.02579 9 3PZ 0.00494 -0.01459 -0.05968 -0.00573 0.16791 10 4XX -0.01431 -0.00947 0.00801 -0.00593 -0.00344 11 4YY -0.01700 -0.00308 -0.00427 0.01307 -0.00039 12 4ZZ -0.01612 -0.00535 -0.00689 -0.01026 -0.00257 13 4XY -0.00088 0.00123 -0.00498 0.00025 -0.01075 14 4XZ -0.00455 0.00944 -0.00068 -0.00920 -0.00219 15 4YZ -0.00203 0.00342 -0.00949 -0.00195 -0.01031 16 2 C 1S 0.01672 -0.03254 0.00479 -0.07797 -0.00360 17 2S -0.03254 0.05577 -0.01028 0.16058 0.00093 18 2PX 0.00479 -0.01028 0.11573 -0.00849 -0.08833 19 2PY 0.07797 -0.16058 0.00851 -0.31237 -0.00043 20 2PZ -0.00359 0.00090 -0.08833 0.00036 0.08701 21 3S -0.00467 0.03451 -0.00798 0.12659 0.05755 22 3PX 0.00094 0.00533 0.08530 -0.01486 -0.03723 23 3PY 0.01400 -0.04349 0.01552 -0.09114 -0.01193 24 3PZ -0.00371 0.00939 -0.04784 -0.01857 0.07390 25 4XX 0.00249 -0.00552 0.00010 -0.00873 -0.00017 26 4YY -0.00695 0.01218 0.00108 0.00580 0.00050 27 4ZZ 0.00269 -0.00612 0.00091 -0.00925 -0.00155 28 4XY -0.00016 -0.00021 -0.01297 -0.00146 0.00018 29 4XZ 0.00058 -0.00150 0.00061 -0.00312 0.00043 30 4YZ -0.00018 -0.00010 -0.00005 0.00022 -0.01358 31 3 C 1S -0.00340 0.00831 0.00083 0.01224 0.00587 32 2S 0.00823 -0.01879 -0.00174 -0.03290 -0.01501 33 2PX -0.00832 0.02655 -0.00638 0.03169 0.02711 34 2PY -0.01167 0.02675 0.00246 0.03374 0.00711 35 2PZ -0.00446 0.01369 0.02038 0.01505 -0.00551 36 3S 0.00597 -0.02039 -0.03770 -0.02415 -0.04546 37 3PX -0.00436 0.01395 -0.00491 0.01849 0.03621 38 3PY -0.00283 0.01068 0.00153 -0.00564 0.01117 39 3PZ -0.00411 0.00852 0.03958 0.02546 -0.01414 40 4XX 0.00055 -0.00122 -0.00654 -0.00245 0.00489 41 4YY -0.00184 0.00439 0.00163 0.00978 0.00043 42 4ZZ 0.00071 -0.00116 0.00388 -0.00241 -0.00350 43 4XY -0.00099 0.00185 -0.00106 0.00569 0.00147 44 4XZ 0.00063 -0.00122 0.00247 -0.00138 -0.00179 45 4YZ -0.00075 0.00145 0.00231 0.00452 -0.00111 46 4 C 1S -0.00267 0.00503 0.00128 0.00375 0.00577 47 2S 0.00479 -0.00883 0.00214 -0.00681 -0.01508 48 2PX -0.00207 0.00444 -0.00674 0.00763 0.00881 49 2PY -0.00390 0.00856 0.02849 -0.01161 0.00380 50 2PZ -0.00787 0.01255 -0.01132 0.02367 0.02037 51 3S 0.01324 -0.02297 -0.02357 -0.03018 -0.00945 52 3PX -0.00106 0.00172 -0.00051 0.00183 0.00166 53 3PY -0.00348 0.00737 0.02761 -0.00891 -0.00192 54 3PZ -0.00485 0.00736 -0.00614 0.02432 0.00453 55 4XX -0.00029 0.00034 -0.00037 -0.00022 0.00077 56 4YY -0.00010 0.00024 0.00061 0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 0.00010 -0.00197 0.00059 58 4XY 0.00007 -0.00035 -0.00023 0.00100 -0.00059 59 4XZ 0.00019 -0.00044 0.00102 -0.00088 -0.00064 60 4YZ 0.00020 -0.00082 -0.00128 0.00015 -0.00008 61 5 C 1S -0.00300 0.00562 0.00514 -0.00155 0.01145 62 2S 0.00650 -0.01505 -0.01443 0.00592 -0.02805 63 2PX -0.00839 0.02187 -0.00068 -0.01088 0.03290 64 2PY -0.00131 0.00318 0.00228 0.00421 0.00689 65 2PZ -0.01208 0.03132 0.04903 -0.00703 0.02307 66 3S 0.00759 -0.01647 0.00175 -0.01090 -0.07811 67 3PX -0.00454 0.00903 -0.00129 -0.00744 0.01497 68 3PY -0.00411 0.00872 0.00734 0.00450 0.02096 69 3PZ -0.00802 0.01864 0.04076 0.00837 0.02261 70 4XX -0.00114 0.00235 -0.00086 -0.00219 0.00526 71 4YY 0.00068 -0.00152 -0.00310 0.00171 -0.00200 72 4ZZ -0.00030 0.00016 0.00630 -0.00095 -0.00133 73 4XY 0.00024 -0.00073 -0.00134 -0.00013 0.00012 74 4XZ -0.00130 0.00292 -0.00157 -0.00304 0.00928 75 4YZ 0.00054 -0.00141 -0.00384 0.00173 -0.00056 76 6 C 1S 0.01788 -0.03602 -0.05991 0.03621 -0.04301 77 2S -0.03384 0.06176 0.12166 -0.07535 0.08348 78 2PX 0.05515 -0.11749 0.00710 0.13527 -0.24258 79 2PY -0.03906 0.07546 0.13787 -0.05074 0.06403 80 2PZ 0.04364 -0.08980 -0.21174 0.08011 -0.01513 81 3S -0.00917 0.03347 0.13110 -0.05001 0.09080 82 3PX 0.01230 -0.03508 0.04976 0.06233 -0.12907 83 3PY -0.00984 0.02573 0.05358 -0.00540 0.02376 84 3PZ 0.00436 -0.01208 -0.09571 0.03267 0.02877 85 4XX -0.00196 0.00317 -0.01090 -0.00515 0.00700 86 4YY 0.00153 -0.00338 -0.00154 0.01234 -0.00144 87 4ZZ 0.00017 -0.00118 0.00180 -0.00099 -0.01328 88 4XY 0.00334 -0.00665 -0.00345 -0.00259 -0.00806 89 4XZ -0.00415 0.00766 0.00321 -0.00661 0.00046 90 4YZ 0.00299 -0.00599 -0.00806 -0.00166 -0.00179 91 7 H 1S -0.06016 0.11224 -0.13263 -0.13075 -0.18750 92 2S -0.01303 0.02496 -0.12150 -0.11784 -0.18088 93 8 H 1S 0.01228 -0.02562 0.01875 -0.04294 0.01318 94 2S 0.01464 -0.02568 0.03388 -0.08633 0.03937 95 9 H 1S -0.00849 0.01865 0.00146 0.03521 0.00130 96 2S -0.01195 0.02528 0.01055 0.06878 0.00306 97 10 H 1S -0.00059 0.00017 0.00193 0.00229 -0.00061 98 2S -0.00092 -0.00024 0.00533 0.00699 -0.00762 99 11 H 1S -0.00759 0.01927 0.00233 -0.01533 0.03244 100 2S -0.01116 0.02904 -0.00205 -0.02105 0.07096 101 12 H 1S 0.01211 -0.02454 -0.02455 0.03575 -0.01201 102 2S 0.01361 -0.02472 -0.04780 0.07142 -0.01045 103 13 H 1S 0.00158 -0.00347 0.02933 0.00309 -0.02865 104 2S 0.00142 -0.00405 0.02930 -0.00013 -0.02535 105 14 H 1S -0.00137 0.00184 -0.00285 -0.00018 0.00657 106 2S -0.00228 0.00336 -0.01502 -0.00379 0.01956 107 15 C 1S -0.00178 0.00269 0.00919 0.00007 -0.00379 108 2S 0.00265 -0.00452 -0.02100 0.00007 0.01060 109 2PX -0.00503 0.01912 0.03137 0.00231 -0.00562 110 2PY -0.00170 0.00504 0.01828 0.00155 -0.01159 111 2PZ 0.00224 -0.00609 -0.00582 -0.00214 -0.00874 112 3S 0.00362 -0.01131 -0.05396 0.00009 0.02764 113 3PX -0.00660 0.01009 0.00585 0.00333 0.00106 114 3PY -0.00256 0.00680 0.01974 -0.00114 -0.01112 115 3PZ 0.00154 -0.01149 -0.02472 -0.00222 -0.00968 116 4XX -0.00079 0.00083 0.00598 0.00039 -0.00412 117 4YY -0.00013 -0.00023 -0.00212 0.00021 0.00109 118 4ZZ -0.00029 0.00012 -0.00135 0.00021 0.00082 119 4XY 0.00016 -0.00026 0.00434 0.00101 -0.00386 120 4XZ -0.00048 0.00093 -0.00196 -0.00047 0.00187 121 4YZ 0.00029 -0.00044 -0.00517 -0.00091 0.00430 122 16 C 1S -0.00069 0.00137 0.01089 0.00262 -0.00738 123 2S 0.00058 -0.00173 -0.02273 -0.00401 0.01701 124 2PX -0.00297 0.00820 0.07781 0.01577 -0.05629 125 2PY -0.00009 -0.00136 -0.01163 -0.00430 0.01176 126 2PZ 0.00128 -0.00391 -0.05907 -0.01022 0.04328 127 3S 0.00390 -0.00677 -0.05255 -0.01291 0.03693 128 3PX -0.00129 0.00638 0.05986 0.01205 -0.04004 129 3PY -0.00151 0.00182 -0.02887 -0.00198 0.02420 130 3PZ 0.00188 -0.00093 -0.04678 -0.01428 0.04463 131 4XX -0.00022 0.00029 0.00077 0.00019 0.00000 132 4YY -0.00006 0.00020 -0.00040 0.00036 0.00041 133 4ZZ -0.00029 0.00039 0.00168 0.00028 -0.00081 134 4XY 0.00007 -0.00073 -0.00112 -0.00003 -0.00003 135 4XZ -0.00015 0.00017 0.00113 0.00034 -0.00070 136 4YZ -0.00021 0.00063 0.00166 0.00047 -0.00061 137 17 C 1S -0.00034 0.00050 0.00186 -0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00524 0.00022 0.00168 139 2PX -0.00090 0.00227 0.00497 -0.00063 -0.00143 140 2PY -0.00109 0.00156 0.00104 -0.00156 0.00200 141 2PZ 0.00032 0.00003 0.00697 0.00135 -0.00801 142 3S 0.00165 -0.00332 -0.01102 0.00436 0.00234 143 3PX 0.00030 -0.00055 0.00236 -0.00139 -0.00356 144 3PY -0.00028 0.00057 0.00142 -0.00024 -0.00168 145 3PZ -0.00027 0.00123 0.01152 0.00191 -0.00961 146 4XX -0.00023 0.00067 0.00161 -0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 -0.00012 0.00031 149 4XY -0.00002 0.00031 -0.00120 -0.00028 0.00135 150 4XZ -0.00003 0.00015 0.00061 0.00025 -0.00047 151 4YZ 0.00011 -0.00011 0.00132 0.00029 -0.00148 152 18 H 1S 0.00040 -0.00107 0.00591 -0.00079 -0.00432 153 2S 0.00059 -0.00059 0.02536 -0.00061 -0.01693 154 19 H 1S 0.00063 -0.00138 -0.00488 -0.00007 0.00086 155 2S 0.00066 -0.00226 -0.01326 -0.00431 0.00874 156 20 H 1S 0.00083 -0.00296 -0.02683 -0.00212 0.02058 157 2S 0.00005 -0.00132 -0.01968 -0.00411 0.00494 158 21 O 1S 0.00025 -0.00140 -0.00322 0.00047 0.00087 159 2S -0.00129 0.00318 0.00264 -0.00153 0.00027 160 2PX 0.00317 -0.01246 -0.00852 0.00184 -0.00689 161 2PY 0.00082 0.00223 0.00006 0.00070 -0.00067 162 2PZ -0.00062 0.00105 0.00173 0.00194 0.00447 163 3S 0.00114 0.00790 0.03874 -0.00181 -0.01430 164 3PX 0.00189 -0.01050 -0.01370 0.00021 -0.00372 165 3PY 0.00093 0.00179 0.00431 0.00012 -0.00182 166 3PZ -0.00173 0.00209 -0.00205 0.00177 0.00526 167 4XX -0.00008 -0.00055 -0.00230 -0.00019 0.00099 168 4YY -0.00033 -0.00005 -0.00142 -0.00003 0.00070 169 4ZZ -0.00035 0.00000 -0.00131 -0.00040 0.00115 170 4XY 0.00003 -0.00064 -0.00059 0.00017 -0.00032 171 4XZ 0.00017 0.00006 0.00018 -0.00001 0.00009 172 4YZ -0.00007 -0.00021 -0.00132 -0.00016 0.00089 173 22 O 1S 0.00003 0.00038 -0.00238 -0.00041 0.00198 174 2S 0.00010 -0.00105 0.00425 0.00032 -0.00298 175 2PX 0.00146 -0.00392 -0.04303 -0.00711 0.03014 176 2PY 0.00082 0.00067 0.00103 -0.00082 -0.00200 177 2PZ -0.00083 0.00297 0.03259 0.00412 -0.02205 178 3S -0.00062 -0.00216 0.01710 0.00387 -0.01805 179 3PX 0.00134 -0.00261 -0.03879 -0.00824 0.03032 180 3PY 0.00076 0.00013 0.00031 -0.00031 -0.00157 181 3PZ -0.00103 0.00346 0.03012 0.00421 -0.01982 182 4XX 0.00009 -0.00010 -0.00275 -0.00069 0.00236 183 4YY 0.00004 0.00005 -0.00045 -0.00012 0.00073 184 4ZZ 0.00015 -0.00011 0.00128 -0.00009 -0.00096 185 4XY -0.00003 0.00009 0.00141 0.00026 -0.00123 186 4XZ 0.00002 -0.00004 0.00042 0.00002 -0.00035 187 4YZ -0.00002 0.00009 -0.00003 0.00013 0.00002 188 23 H 1S -0.00094 0.00273 0.00763 0.00022 -0.00253 189 2S -0.00200 0.00547 0.01682 0.00112 -0.00554 6 7 8 9 10 6 3S 0.25009 7 3PX -0.00529 0.12000 8 3PY 0.00772 0.02131 0.06237 9 3PZ -0.01273 -0.06577 -0.01396 0.09328 10 4XX -0.00562 0.00526 0.00007 -0.00248 0.00092 11 4YY -0.00311 -0.00157 0.00297 0.00079 -0.00023 12 4ZZ -0.00246 -0.00264 -0.00301 0.00046 0.00022 13 4XY 0.00261 0.00016 -0.00037 -0.00330 -0.00019 14 4XZ 0.00814 -0.00040 -0.00261 -0.00111 -0.00007 15 4YZ 0.00706 -0.00159 0.00072 -0.00212 0.00003 16 2 C 1S -0.00467 0.00094 -0.01400 -0.00371 0.00249 17 2S 0.03451 0.00533 0.04348 0.00940 -0.00552 18 2PX -0.00798 0.08530 -0.01552 -0.04784 0.00010 19 2PY -0.12660 0.01487 -0.09115 0.01854 0.00873 20 2PZ 0.05753 -0.03723 0.01190 0.07391 -0.00017 21 3S -0.01750 -0.01591 0.01403 0.02529 -0.00630 22 3PX -0.01591 0.04727 -0.01987 -0.03342 -0.00086 23 3PY -0.01404 0.01988 -0.01363 0.00057 0.00383 24 3PZ 0.02529 -0.03342 -0.00058 0.04480 0.00015 25 4XX -0.00630 -0.00086 -0.00383 0.00015 0.00022 26 4YY 0.01205 -0.00009 0.00269 -0.00090 -0.00029 27 4ZZ -0.00574 0.00114 -0.00259 -0.00106 0.00036 28 4XY 0.00225 -0.00623 -0.00083 0.00341 -0.00031 29 4XZ -0.00359 0.00029 -0.00186 0.00022 0.00000 30 4YZ 0.00428 0.00435 0.00193 -0.00545 0.00020 31 3 C 1S -0.00303 -0.00672 0.00510 -0.00511 0.00018 32 2S -0.01977 0.00622 -0.01885 -0.00130 -0.00040 33 2PX -0.05035 -0.04990 -0.02124 -0.00967 -0.00314 34 2PY 0.09132 0.00084 0.05080 -0.00106 0.00096 35 2PZ -0.01049 0.00962 0.00766 -0.02947 0.00187 36 3S -0.00893 -0.00720 -0.01227 -0.00387 0.00001 37 3PX -0.03723 -0.03354 -0.01961 0.00655 -0.00305 38 3PY 0.02368 -0.00136 0.00590 0.00062 -0.00037 39 3PZ 0.01303 0.03090 0.01856 -0.02248 0.00162 40 4XX -0.00039 -0.00408 -0.00039 0.00387 0.00008 41 4YY 0.00672 0.00057 0.00498 -0.00061 -0.00015 42 4ZZ -0.00419 0.00209 -0.00246 -0.00267 0.00001 43 4XY 0.00341 0.00024 0.00201 0.00151 -0.00021 44 4XZ -0.00159 0.00231 -0.00038 -0.00107 0.00001 45 4YZ 0.00237 0.00190 0.00139 -0.00022 -0.00008 46 4 C 1S 0.01091 0.00010 0.00349 0.00343 0.00000 47 2S -0.02105 0.00217 -0.00597 -0.00989 0.00002 48 2PX 0.01312 -0.00580 0.01726 0.00098 0.00032 49 2PY 0.01905 0.01994 -0.00708 -0.00331 0.00082 50 2PZ 0.07872 0.00221 0.02448 0.03397 -0.00066 51 3S -0.06109 -0.01894 -0.02946 -0.00435 -0.00151 52 3PX 0.00820 -0.00075 0.00912 -0.00002 0.00052 53 3PY 0.01690 0.01748 -0.00055 -0.00540 0.00108 54 3PZ 0.04098 0.00211 0.01698 0.01557 -0.00033 55 4XX 0.00343 0.00067 0.00109 0.00115 0.00006 56 4YY 0.00111 0.00062 0.00183 -0.00139 0.00004 57 4ZZ -0.00283 -0.00075 -0.00254 0.00033 -0.00006 58 4XY -0.00078 -0.00013 0.00123 -0.00081 -0.00002 59 4XZ -0.00001 0.00164 0.00060 -0.00082 0.00009 60 4YZ 0.00127 0.00001 0.00086 0.00131 0.00003 61 5 C 1S 0.00523 0.00086 -0.00403 0.00805 -0.00046 62 2S -0.00898 0.00033 0.00849 -0.01522 0.00036 63 2PX 0.02770 -0.00835 -0.02936 0.02849 -0.00027 64 2PY -0.00917 -0.00778 0.00647 0.00236 -0.00009 65 2PZ 0.00219 0.01027 -0.03195 -0.00730 -0.00133 66 3S 0.01674 0.02532 0.02144 -0.03850 0.00276 67 3PX 0.00631 -0.00640 -0.01540 0.01190 -0.00006 68 3PY 0.01091 -0.00283 0.00708 0.00932 0.00007 69 3PZ -0.00610 0.00785 -0.01122 -0.00484 -0.00042 70 4XX 0.00156 -0.00186 -0.00296 0.00260 -0.00019 71 4YY -0.00276 -0.00146 -0.00003 -0.00033 -0.00015 72 4ZZ 0.00089 0.00367 0.00189 -0.00192 0.00036 73 4XY -0.00124 -0.00085 0.00104 -0.00037 -0.00004 74 4XZ 0.00203 -0.00284 -0.00235 0.00493 -0.00027 75 4YZ 0.00073 -0.00128 0.00183 0.00127 -0.00005 76 6 C 1S 0.01167 -0.00739 0.00604 0.00475 -0.00160 77 2S 0.01681 0.03363 -0.00949 0.00613 0.00278 78 2PX -0.04581 0.07528 0.09237 -0.09987 0.00836 79 2PY 0.10482 0.06146 0.00968 0.00561 0.00424 80 2PZ -0.05015 -0.08999 0.03204 0.03877 -0.00521 81 3S -0.02631 0.02878 -0.00108 0.00198 0.00396 82 3PX 0.00784 0.06574 0.05178 -0.06093 0.00568 83 3PY 0.01880 0.01760 0.00217 -0.00261 0.00159 84 3PZ -0.00661 -0.05088 -0.00023 0.03336 -0.00484 85 4XX 0.00431 -0.00751 -0.00330 0.00592 -0.00025 86 4YY -0.00596 -0.00072 0.00312 -0.00082 -0.00024 87 4ZZ 0.00227 0.00471 0.00133 -0.00632 0.00025 88 4XY -0.00401 0.00042 0.00006 -0.00233 0.00028 89 4XZ 0.00598 0.00115 -0.00283 -0.00064 -0.00010 90 4YZ -0.00437 -0.00323 0.00034 0.00096 0.00001 91 7 H 1S 0.11509 -0.03241 -0.03911 -0.05972 -0.00192 92 2S 0.05423 -0.01788 -0.02558 -0.05145 0.00069 93 8 H 1S -0.06039 -0.00249 -0.01989 -0.00279 0.00081 94 2S -0.06761 -0.00573 -0.03824 0.00226 0.00160 95 9 H 1S 0.05609 0.00088 0.03258 -0.00069 -0.00029 96 2S 0.06422 0.00665 0.04801 -0.00210 -0.00007 97 10 H 1S 0.01949 0.00705 0.01408 0.00038 0.00055 98 2S 0.02803 0.01617 0.02155 -0.00397 0.00080 99 11 H 1S 0.01770 -0.00668 -0.02873 0.01867 -0.00089 100 2S 0.02303 -0.01668 -0.03782 0.03878 -0.00252 101 12 H 1S -0.06200 -0.01712 0.00229 -0.00667 -0.00145 102 2S -0.05922 -0.02896 0.00593 -0.00120 -0.00308 103 13 H 1S -0.01230 0.01935 0.00436 -0.03018 0.00081 104 2S -0.01121 0.01789 0.00456 -0.02563 0.00164 105 14 H 1S 0.02056 0.00050 -0.00488 0.01533 -0.00054 106 2S 0.01847 -0.01192 -0.00768 0.02316 -0.00055 107 15 C 1S 0.00660 0.00950 -0.00149 -0.00354 -0.00071 108 2S -0.01526 -0.02241 0.00030 0.00661 0.00088 109 2PX -0.01133 0.02166 -0.01371 -0.02091 -0.00527 110 2PY 0.00914 0.01859 -0.00229 -0.01558 -0.00107 111 2PZ -0.00463 -0.01003 0.00720 0.00056 0.00439 112 3S -0.00267 -0.04285 0.01053 0.02490 0.00169 113 3PX -0.00189 0.00789 -0.00921 -0.00564 -0.00394 114 3PY 0.00725 0.01495 -0.00064 -0.01187 -0.00085 115 3PZ 0.00411 -0.01273 0.00996 0.00643 0.00308 116 4XX -0.00147 0.00315 0.00123 -0.00385 0.00026 117 4YY 0.00113 -0.00074 -0.00027 0.00119 -0.00010 118 4ZZ 0.00123 -0.00018 -0.00052 0.00131 -0.00016 119 4XY 0.00143 0.00423 0.00158 -0.00242 0.00005 120 4XZ -0.00108 -0.00206 -0.00124 0.00098 -0.00017 121 4YZ -0.00187 -0.00491 -0.00049 0.00297 -0.00001 122 16 C 1S 0.00207 0.00807 0.00240 -0.00513 -0.00017 123 2S 0.00404 -0.01433 -0.00315 0.01321 0.00011 124 2PX 0.03491 0.07599 0.02114 -0.03844 -0.00104 125 2PY -0.00094 -0.01105 0.00159 0.01328 0.00105 126 2PZ -0.02183 -0.05769 -0.01045 0.03310 0.00011 127 3S -0.01672 -0.04058 -0.01633 0.02603 0.00024 128 3PX 0.01873 0.05288 0.01493 -0.03146 0.00003 129 3PY 0.00030 -0.02554 0.00055 0.01794 0.00019 130 3PZ -0.02370 -0.04985 -0.01447 0.02776 -0.00002 131 4XX -0.00099 -0.00035 -0.00038 0.00045 -0.00005 132 4YY -0.00034 -0.00066 0.00015 -0.00027 0.00002 133 4ZZ 0.00145 0.00194 0.00056 -0.00077 -0.00002 134 4XY 0.00062 -0.00072 0.00100 0.00074 0.00027 135 4XZ 0.00230 0.00173 0.00120 0.00001 0.00005 136 4YZ 0.00015 0.00124 -0.00023 -0.00098 -0.00026 137 17 C 1S 0.00279 0.00243 -0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00495 0.00172 0.00178 0.00027 139 2PX 0.01185 0.00676 -0.00378 -0.00028 -0.00038 140 2PY 0.00972 0.00404 -0.00215 0.00346 -0.00024 141 2PZ -0.00517 0.00460 0.00089 -0.00843 -0.00017 142 3S -0.00761 -0.00954 0.00351 0.00352 0.00052 143 3PX 0.00088 0.00233 -0.00134 -0.00239 0.00000 144 3PY -0.00171 0.00068 -0.00042 -0.00243 0.00004 145 3PZ 0.00308 0.01175 0.00035 -0.00791 -0.00057 146 4XX 0.00205 0.00194 -0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 -0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 0.00042 -0.00013 0.00010 149 4XY -0.00118 -0.00160 -0.00109 0.00084 -0.00006 150 4XZ -0.00047 0.00030 0.00028 -0.00039 -0.00001 151 4YZ -0.00189 0.00040 0.00074 -0.00206 0.00009 152 18 H 1S 0.00813 0.00940 0.00345 -0.00179 0.00094 153 2S 0.00617 0.02183 0.00528 -0.01227 0.00117 154 19 H 1S -0.01206 -0.00794 0.00186 -0.00143 0.00039 155 2S -0.01737 -0.01862 0.00056 0.00370 0.00096 156 20 H 1S -0.00649 -0.02164 -0.00339 0.01689 -0.00102 157 2S -0.00200 -0.01156 -0.00512 0.00920 -0.00139 158 21 O 1S 0.00079 -0.00142 0.00426 0.00192 0.00007 159 2S -0.00745 -0.00210 -0.00988 -0.00330 -0.00017 160 2PX -0.01266 -0.00817 0.01627 -0.00864 0.00236 161 2PY -0.03844 -0.01578 0.00470 -0.01122 0.00047 162 2PZ 0.04571 0.02054 -0.00925 0.01854 -0.00184 163 3S 0.00169 0.02453 -0.01276 -0.01834 -0.00011 164 3PX -0.01067 -0.01123 0.01247 -0.00387 0.00200 165 3PY -0.02536 -0.00766 0.00282 -0.00921 0.00036 166 3PZ 0.03137 0.01284 -0.00865 0.01389 -0.00202 167 4XX 0.00069 -0.00147 0.00013 0.00156 0.00013 168 4YY -0.00216 -0.00173 0.00044 0.00006 0.00000 169 4ZZ -0.00044 -0.00103 -0.00032 0.00067 -0.00012 170 4XY 0.00004 -0.00020 0.00066 -0.00002 0.00009 171 4XZ -0.00101 -0.00032 -0.00012 -0.00034 -0.00002 172 4YZ 0.00163 -0.00030 -0.00037 0.00151 -0.00002 173 22 O 1S -0.00543 -0.00314 -0.00232 0.00043 0.00000 174 2S 0.01365 0.00674 0.00621 0.00085 0.00009 175 2PX -0.02271 -0.04386 -0.01548 0.02318 0.00031 176 2PY -0.01674 -0.00766 -0.00397 -0.01235 0.00001 177 2PZ 0.01045 0.03158 0.00332 -0.02613 -0.00068 178 3S 0.01897 0.01954 0.00641 -0.00831 -0.00044 179 3PX -0.01853 -0.03921 -0.01308 0.02231 0.00021 180 3PY -0.01304 -0.00583 -0.00226 -0.00876 0.00012 181 3PZ 0.01212 0.02958 0.00470 -0.02175 -0.00053 182 4XX -0.00048 -0.00241 -0.00063 0.00160 0.00002 183 4YY 0.00033 -0.00017 0.00018 0.00088 0.00002 184 4ZZ -0.00012 0.00105 0.00029 -0.00081 0.00007 185 4XY 0.00098 0.00170 0.00061 -0.00083 -0.00003 186 4XZ 0.00059 0.00058 0.00016 -0.00001 0.00001 187 4YZ 0.00005 -0.00005 -0.00005 0.00032 -0.00003 188 23 H 1S 0.01089 0.00930 -0.00200 -0.00085 -0.00050 189 2S 0.01796 0.01861 -0.00258 -0.00354 -0.00101 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 0.00032 0.00095 14 4XZ -0.00048 0.00026 0.00017 0.00067 15 4YZ -0.00014 0.00011 0.00042 0.00028 0.00117 16 2 C 1S -0.00695 0.00269 0.00016 0.00058 0.00018 17 2S 0.01218 -0.00612 0.00021 -0.00150 0.00010 18 2PX 0.00108 0.00091 0.01297 0.00061 0.00005 19 2PY -0.00580 0.00925 -0.00146 0.00312 0.00021 20 2PZ 0.00050 -0.00154 -0.00018 0.00043 0.01358 21 3S 0.01205 -0.00574 -0.00225 -0.00359 -0.00428 22 3PX -0.00009 0.00114 0.00623 0.00029 -0.00435 23 3PY -0.00269 0.00259 -0.00083 0.00186 0.00192 24 3PZ -0.00090 -0.00105 -0.00341 0.00022 0.00545 25 4XX -0.00029 0.00036 0.00031 0.00000 -0.00020 26 4YY -0.00016 -0.00028 -0.00013 0.00023 0.00009 27 4ZZ -0.00028 0.00033 -0.00028 0.00005 -0.00003 28 4XY 0.00013 0.00028 0.00043 0.00005 0.00050 29 4XZ 0.00023 0.00005 -0.00005 0.00004 -0.00011 30 4YZ -0.00009 0.00003 0.00050 0.00011 0.00081 31 3 C 1S -0.00096 -0.00025 -0.00180 -0.00008 -0.00116 32 2S 0.00214 0.00080 0.00376 0.00016 0.00224 33 2PX -0.00147 0.00075 0.00179 -0.00173 -0.01077 34 2PY -0.00421 -0.00076 -0.00591 0.00001 -0.00219 35 2PZ -0.00324 -0.00147 -0.00819 -0.00049 0.00079 36 3S 0.00135 0.00112 0.00563 0.00037 0.00433 37 3PX 0.00079 0.00046 0.00236 -0.00133 -0.00703 38 3PY -0.00088 0.00001 -0.00276 -0.00020 -0.00146 39 3PZ -0.00087 -0.00208 -0.00457 -0.00042 0.00175 40 4XX 0.00005 -0.00004 -0.00039 -0.00001 0.00032 41 4YY -0.00003 -0.00027 -0.00013 -0.00009 -0.00012 42 4ZZ -0.00001 0.00015 0.00015 -0.00001 -0.00047 43 4XY 0.00031 -0.00018 0.00009 -0.00005 0.00023 44 4XZ 0.00021 0.00003 0.00008 0.00004 0.00001 45 4YZ 0.00023 -0.00018 0.00029 -0.00004 0.00003 46 4 C 1S -0.00020 -0.00037 0.00004 0.00009 0.00021 47 2S 0.00036 0.00057 -0.00040 -0.00017 -0.00066 48 2PX 0.00065 -0.00085 -0.00037 -0.00006 0.00122 49 2PY -0.00190 0.00047 0.00034 0.00073 -0.00083 50 2PZ 0.00059 -0.00074 0.00159 0.00000 0.00020 51 3S 0.00205 0.00193 0.00050 -0.00079 -0.00335 52 3PX -0.00004 -0.00043 -0.00021 0.00014 0.00073 53 3PY -0.00223 0.00055 0.00015 0.00102 -0.00066 54 3PZ 0.00057 -0.00068 0.00145 -0.00003 0.00060 55 4XX 0.00000 -0.00005 -0.00006 0.00003 0.00020 56 4YY -0.00008 0.00000 -0.00012 0.00001 0.00000 57 4ZZ 0.00004 0.00005 0.00026 -0.00002 -0.00013 58 4XY 0.00002 0.00008 0.00008 0.00002 0.00000 59 4XZ 0.00005 -0.00005 -0.00014 0.00004 0.00038 60 4YZ -0.00008 0.00019 0.00027 0.00018 0.00006 61 5 C 1S 0.00081 -0.00156 -0.00079 -0.00073 -0.00027 62 2S -0.00158 0.00302 0.00173 0.00157 0.00069 63 2PX 0.00138 -0.00377 -0.00102 -0.00129 -0.00015 64 2PY 0.00124 -0.00210 -0.00250 -0.00115 0.00024 65 2PZ 0.00397 -0.00733 -0.00401 -0.00608 -0.00074 66 3S -0.00435 0.00350 0.00172 0.00278 0.00357 67 3PX 0.00070 -0.00170 -0.00039 -0.00059 -0.00017 68 3PY -0.00008 -0.00119 -0.00209 -0.00026 -0.00024 69 3PZ 0.00203 -0.00435 -0.00270 -0.00305 -0.00127 70 4XX 0.00007 -0.00013 -0.00006 -0.00013 -0.00012 71 4YY 0.00035 -0.00005 0.00000 -0.00017 -0.00008 72 4ZZ -0.00033 0.00002 -0.00010 0.00024 0.00004 73 4XY 0.00002 0.00015 0.00001 0.00004 -0.00002 74 4XZ -0.00010 0.00019 0.00001 0.00024 -0.00032 75 4YZ 0.00011 0.00019 0.00008 0.00012 -0.00005 76 6 C 1S 0.00118 -0.00024 0.00373 -0.00330 0.00332 77 2S -0.00344 0.00008 -0.00671 0.00637 -0.00626 78 2PX 0.00219 -0.00219 0.00235 -0.00296 0.00857 79 2PY -0.01331 0.00189 0.00163 0.00724 0.00162 80 2PZ 0.00246 0.01017 0.00838 0.00074 0.00096 81 3S -0.00287 -0.00162 -0.00854 0.00402 -0.00762 82 3PX -0.00025 -0.00269 -0.00001 -0.00054 0.00548 83 3PY -0.00408 -0.00056 0.00027 0.00162 0.00013 84 3PZ 0.00198 0.00448 0.00454 0.00042 -0.00162 85 4XX -0.00020 0.00012 0.00005 0.00004 0.00034 86 4YY 0.00096 -0.00047 -0.00024 -0.00056 -0.00029 87 4ZZ -0.00037 0.00030 0.00056 0.00018 0.00043 88 4XY -0.00009 0.00028 0.00027 -0.00003 0.00026 89 4XZ -0.00031 0.00010 0.00010 0.00045 -0.00003 90 4YZ 0.00002 0.00044 0.00010 0.00005 0.00013 91 7 H 1S -0.00407 0.00551 0.00785 0.00828 0.01087 92 2S -0.00362 0.00647 0.00774 0.00608 0.01062 93 8 H 1S 0.00186 0.00079 -0.00512 -0.00002 -0.00716 94 2S -0.00151 0.00192 -0.00529 0.00049 -0.00783 95 9 H 1S -0.00127 -0.00082 -0.00167 -0.00027 -0.00090 96 2S -0.00118 -0.00192 -0.00249 -0.00048 -0.00055 97 10 H 1S 0.00013 -0.00008 0.00000 0.00035 0.00131 98 2S 0.00006 -0.00013 -0.00028 0.00060 0.00304 99 11 H 1S 0.00033 -0.00156 -0.00015 -0.00073 -0.00083 100 2S 0.00077 -0.00124 -0.00046 -0.00081 -0.00265 101 12 H 1S 0.00806 -0.00273 -0.00411 -0.00313 -0.00349 102 2S 0.00889 -0.00329 -0.00215 -0.00474 -0.00262 103 13 H 1S -0.00014 -0.00072 -0.00062 -0.00133 0.00077 104 2S -0.00013 -0.00169 -0.00141 -0.00151 0.00146 105 14 H 1S -0.00031 0.00069 0.00159 0.00023 -0.00150 106 2S -0.00064 0.00071 0.00181 0.00036 -0.00143 107 15 C 1S 0.00004 -0.00029 0.00017 0.00039 -0.00066 108 2S -0.00016 0.00024 -0.00053 -0.00088 0.00094 109 2PX 0.00263 0.00290 0.00297 0.00048 -0.00435 110 2PY 0.00085 0.00015 0.00044 0.00018 -0.00114 111 2PZ -0.00130 -0.00243 -0.00268 0.00039 0.00363 112 3S -0.00170 0.00040 -0.00083 -0.00036 0.00242 113 3PX 0.00184 0.00224 0.00266 0.00043 -0.00313 114 3PY -0.00011 0.00090 0.00134 0.00057 -0.00123 115 3PZ -0.00116 -0.00129 -0.00150 0.00028 0.00358 116 4XX -0.00010 -0.00022 -0.00008 0.00007 0.00014 117 4YY 0.00008 0.00001 0.00001 -0.00004 -0.00004 118 4ZZ 0.00007 0.00017 0.00011 0.00001 -0.00009 119 4XY 0.00004 -0.00002 -0.00003 0.00000 0.00001 120 4XZ 0.00010 0.00012 0.00007 -0.00003 -0.00009 121 4YZ -0.00007 0.00000 0.00001 -0.00008 0.00002 122 16 C 1S -0.00007 -0.00009 0.00015 0.00014 -0.00012 123 2S 0.00011 0.00012 -0.00040 -0.00022 0.00031 124 2PX 0.00086 0.00078 0.00032 0.00094 -0.00042 125 2PY -0.00089 -0.00044 -0.00083 0.00027 0.00109 126 2PZ -0.00024 -0.00055 0.00062 -0.00048 -0.00030 127 3S 0.00068 -0.00088 -0.00199 -0.00100 0.00083 128 3PX 0.00029 0.00002 -0.00069 0.00051 0.00006 129 3PY -0.00078 0.00009 -0.00034 0.00015 0.00064 130 3PZ -0.00031 -0.00039 -0.00057 -0.00056 -0.00063 131 4XX 0.00003 -0.00002 0.00023 0.00002 -0.00018 132 4YY 0.00000 -0.00001 -0.00009 -0.00003 0.00004 133 4ZZ -0.00001 0.00004 -0.00008 0.00004 0.00003 134 4XY -0.00012 -0.00015 -0.00017 0.00000 0.00028 135 4XZ -0.00001 -0.00003 -0.00010 0.00003 0.00011 136 4YZ 0.00010 0.00014 0.00022 -0.00001 -0.00028 137 17 C 1S -0.00001 -0.00005 0.00008 0.00009 -0.00010 138 2S -0.00017 0.00000 -0.00016 -0.00011 0.00026 139 2PX 0.00030 0.00020 0.00013 0.00023 -0.00037 140 2PY -0.00004 -0.00020 -0.00006 0.00024 -0.00018 141 2PZ 0.00010 0.00011 0.00029 0.00014 -0.00024 142 3S -0.00031 -0.00026 -0.00027 -0.00021 0.00048 143 3PX -0.00001 0.00012 0.00013 0.00011 -0.00014 144 3PY 0.00003 -0.00003 -0.00009 0.00008 0.00011 145 3PZ 0.00029 0.00067 0.00046 0.00021 -0.00057 146 4XX 0.00009 0.00013 0.00005 0.00004 -0.00009 147 4YY -0.00002 0.00000 -0.00001 -0.00002 -0.00002 148 4ZZ -0.00006 -0.00011 -0.00004 -0.00001 0.00009 149 4XY 0.00004 0.00008 0.00006 -0.00002 -0.00010 150 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 151 4YZ -0.00003 -0.00004 -0.00007 -0.00001 0.00012 152 18 H 1S -0.00043 -0.00017 -0.00129 0.00016 0.00121 153 2S -0.00052 -0.00024 -0.00125 0.00024 0.00070 154 19 H 1S -0.00023 -0.00041 -0.00014 -0.00006 0.00038 155 2S -0.00051 -0.00114 -0.00053 -0.00017 0.00089 156 20 H 1S 0.00002 0.00110 0.00076 -0.00068 -0.00057 157 2S 0.00026 0.00140 0.00166 -0.00025 -0.00089 158 21 O 1S -0.00006 -0.00013 0.00001 -0.00007 0.00018 159 2S 0.00022 0.00056 0.00003 0.00008 -0.00030 160 2PX -0.00167 -0.00253 -0.00170 -0.00035 0.00253 161 2PY 0.00014 0.00020 -0.00006 -0.00047 0.00051 162 2PZ 0.00100 0.00209 0.00139 0.00009 -0.00235 163 3S 0.00019 0.00009 -0.00011 0.00016 -0.00123 164 3PX -0.00128 -0.00180 -0.00141 -0.00017 0.00239 165 3PY 0.00012 0.00005 -0.00014 -0.00034 0.00031 166 3PZ 0.00108 0.00199 0.00138 0.00012 -0.00209 167 4XX -0.00005 -0.00002 -0.00009 0.00000 0.00014 168 4YY 0.00002 0.00003 0.00000 -0.00002 0.00005 169 4ZZ 0.00001 0.00007 0.00009 0.00001 -0.00008 170 4XY -0.00007 -0.00009 -0.00006 0.00000 0.00010 171 4XZ 0.00001 0.00003 0.00001 -0.00002 -0.00002 172 4YZ 0.00000 0.00006 0.00002 0.00001 -0.00002 173 22 O 1S -0.00004 0.00000 -0.00015 -0.00004 0.00002 174 2S 0.00004 -0.00011 0.00016 0.00009 0.00007 175 2PX -0.00041 -0.00058 0.00003 -0.00051 -0.00033 176 2PY 0.00024 0.00028 0.00001 -0.00026 -0.00006 177 2PZ 0.00034 0.00066 -0.00025 0.00007 -0.00020 178 3S 0.00028 0.00054 0.00178 0.00022 -0.00067 179 3PX -0.00031 -0.00046 -0.00025 -0.00043 -0.00026 180 3PY 0.00018 0.00004 -0.00020 -0.00024 0.00007 181 3PZ 0.00030 0.00051 -0.00043 0.00015 -0.00008 182 4XX -0.00002 -0.00001 -0.00007 -0.00002 0.00004 183 4YY -0.00002 -0.00004 -0.00007 0.00000 0.00003 184 4ZZ -0.00002 -0.00003 -0.00009 0.00001 0.00008 185 4XY 0.00003 0.00003 0.00002 0.00002 0.00001 186 4XZ 0.00000 0.00000 0.00001 0.00001 0.00001 187 4YZ 0.00002 0.00000 0.00006 0.00000 -0.00005 188 23 H 1S 0.00037 0.00047 0.00021 0.00017 -0.00044 189 2S 0.00070 0.00082 0.00047 0.00027 -0.00086 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.06213 0.32496 18 2PX 0.00133 0.00226 0.36896 19 2PY -0.00053 -0.00162 -0.00011 0.41335 20 2PZ -0.00083 0.00777 0.03332 0.00266 0.39023 21 3S -0.16067 0.24765 -0.01951 -0.01122 -0.02947 22 3PX 0.00664 -0.02275 0.18141 -0.01273 -0.07523 23 3PY -0.00378 0.01622 -0.01321 0.13842 0.02578 24 3PZ 0.00494 -0.01459 -0.05969 0.00572 0.16792 25 4XX -0.01431 -0.00947 0.00801 0.00593 -0.00344 26 4YY -0.01700 -0.00308 -0.00428 -0.01307 -0.00040 27 4ZZ -0.01612 -0.00535 -0.00689 0.01026 -0.00256 28 4XY 0.00088 -0.00123 0.00498 0.00024 0.01075 29 4XZ -0.00455 0.00944 -0.00068 0.00920 -0.00219 30 4YZ 0.00203 -0.00342 0.00949 -0.00196 0.01031 31 3 C 1S 0.01788 -0.03602 -0.05991 -0.03620 -0.04301 32 2S -0.03384 0.06176 0.12166 0.07534 0.08349 33 2PX 0.05515 -0.11749 0.00710 -0.13523 -0.24260 34 2PY 0.03905 -0.07545 -0.13784 -0.05071 -0.06403 35 2PZ 0.04365 -0.08981 -0.21176 -0.08012 -0.01516 36 3S -0.00917 0.03347 0.13110 0.04999 0.09081 37 3PX 0.01230 -0.03508 0.04976 -0.06231 -0.12908 38 3PY 0.00984 -0.02573 -0.05356 -0.00539 -0.02377 39 3PZ 0.00436 -0.01209 -0.09572 -0.03267 0.02876 40 4XX -0.00196 0.00317 -0.01090 0.00515 0.00700 41 4YY 0.00153 -0.00338 -0.00154 -0.01234 -0.00144 42 4ZZ 0.00017 -0.00118 0.00180 0.00100 -0.01328 43 4XY -0.00334 0.00665 0.00345 -0.00259 0.00806 44 4XZ -0.00415 0.00766 0.00321 0.00661 0.00047 45 4YZ -0.00299 0.00599 0.00806 -0.00166 0.00180 46 4 C 1S -0.00300 0.00562 0.00514 0.00155 0.01145 47 2S 0.00650 -0.01505 -0.01443 -0.00592 -0.02805 48 2PX -0.00839 0.02187 -0.00068 0.01087 0.03290 49 2PY 0.00131 -0.00319 -0.00229 0.00421 -0.00689 50 2PZ -0.01208 0.03132 0.04903 0.00703 0.02307 51 3S 0.00759 -0.01647 0.00175 0.01091 -0.07811 52 3PX -0.00454 0.00903 -0.00129 0.00744 0.01497 53 3PY 0.00411 -0.00872 -0.00735 0.00451 -0.02096 54 3PZ -0.00802 0.01863 0.04076 -0.00838 0.02260 55 4XX -0.00114 0.00235 -0.00086 0.00219 0.00526 56 4YY 0.00068 -0.00152 -0.00310 -0.00171 -0.00200 57 4ZZ -0.00030 0.00016 0.00630 0.00095 -0.00133 58 4XY -0.00024 0.00073 0.00134 -0.00013 -0.00012 59 4XZ -0.00130 0.00293 -0.00157 0.00304 0.00928 60 4YZ -0.00054 0.00141 0.00384 0.00173 0.00056 61 5 C 1S -0.00267 0.00503 0.00128 -0.00375 0.00577 62 2S 0.00479 -0.00883 0.00214 0.00681 -0.01508 63 2PX -0.00207 0.00444 -0.00674 -0.00763 0.00880 64 2PY 0.00390 -0.00856 -0.02849 -0.01160 -0.00381 65 2PZ -0.00787 0.01255 -0.01133 -0.02367 0.02037 66 3S 0.01324 -0.02297 -0.02357 0.03019 -0.00944 67 3PX -0.00106 0.00172 -0.00051 -0.00183 0.00166 68 3PY 0.00348 -0.00738 -0.02761 -0.00891 0.00192 69 3PZ -0.00485 0.00736 -0.00615 -0.02432 0.00453 70 4XX -0.00029 0.00034 -0.00037 0.00022 0.00077 71 4YY -0.00010 0.00024 0.00060 -0.00192 -0.00177 72 4ZZ 0.00024 -0.00041 0.00010 0.00197 0.00059 73 4XY -0.00007 0.00035 0.00023 0.00100 0.00059 74 4XZ 0.00019 -0.00044 0.00102 0.00088 -0.00064 75 4YZ -0.00020 0.00082 0.00128 0.00015 0.00008 76 6 C 1S -0.00340 0.00831 0.00083 -0.01224 0.00587 77 2S 0.00823 -0.01879 -0.00174 0.03290 -0.01500 78 2PX -0.00832 0.02655 -0.00638 -0.03169 0.02711 79 2PY 0.01167 -0.02675 -0.00246 0.03374 -0.00710 80 2PZ -0.00446 0.01368 0.02038 -0.01505 -0.00551 81 3S 0.00597 -0.02039 -0.03770 0.02416 -0.04546 82 3PX -0.00436 0.01395 -0.00491 -0.01849 0.03621 83 3PY 0.00283 -0.01068 -0.00153 -0.00563 -0.01117 84 3PZ -0.00411 0.00852 0.03958 -0.02545 -0.01414 85 4XX 0.00055 -0.00122 -0.00654 0.00245 0.00489 86 4YY -0.00184 0.00439 0.00163 -0.00978 0.00043 87 4ZZ 0.00071 -0.00116 0.00388 0.00242 -0.00350 88 4XY 0.00099 -0.00185 0.00106 0.00569 -0.00147 89 4XZ 0.00063 -0.00122 0.00247 0.00138 -0.00179 90 4YZ 0.00075 -0.00145 -0.00232 0.00452 0.00111 91 7 H 1S 0.01228 -0.02562 0.01875 0.04294 0.01319 92 2S 0.01464 -0.02568 0.03388 0.08633 0.03938 93 8 H 1S -0.06016 0.11224 -0.13263 0.13078 -0.18748 94 2S -0.01303 0.02496 -0.12150 0.11787 -0.18086 95 9 H 1S 0.01211 -0.02454 -0.02455 -0.03575 -0.01201 96 2S 0.01361 -0.02472 -0.04781 -0.07142 -0.01046 97 10 H 1S -0.00759 0.01927 0.00233 0.01532 0.03244 98 2S -0.01116 0.02904 -0.00205 0.02104 0.07097 99 11 H 1S -0.00059 0.00017 0.00193 -0.00229 -0.00061 100 2S -0.00092 -0.00024 0.00534 -0.00699 -0.00762 101 12 H 1S -0.00849 0.01865 0.00146 -0.03521 0.00130 102 2S -0.01195 0.02528 0.01055 -0.06878 0.00305 103 13 H 1S -0.00137 0.00184 -0.00285 0.00018 0.00657 104 2S -0.00228 0.00336 -0.01502 0.00379 0.01956 105 14 H 1S 0.00158 -0.00347 0.02933 -0.00309 -0.02865 106 2S 0.00142 -0.00405 0.02930 0.00014 -0.02535 107 15 C 1S -0.00069 0.00137 0.01089 -0.00262 -0.00738 108 2S 0.00058 -0.00173 -0.02273 0.00401 0.01701 109 2PX -0.00297 0.00820 0.07781 -0.01576 -0.05629 110 2PY 0.00009 0.00136 0.01164 -0.00430 -0.01177 111 2PZ 0.00128 -0.00391 -0.05907 0.01022 0.04328 112 3S 0.00390 -0.00677 -0.05255 0.01290 0.03693 113 3PX -0.00129 0.00638 0.05986 -0.01205 -0.04004 114 3PY 0.00151 -0.00182 0.02888 -0.00198 -0.02421 115 3PZ 0.00188 -0.00093 -0.04678 0.01428 0.04463 116 4XX -0.00022 0.00029 0.00077 -0.00019 0.00000 117 4YY -0.00006 0.00020 -0.00040 -0.00036 0.00041 118 4ZZ -0.00029 0.00039 0.00168 -0.00028 -0.00081 119 4XY -0.00007 0.00073 0.00112 -0.00003 0.00003 120 4XZ -0.00015 0.00017 0.00113 -0.00034 -0.00070 121 4YZ 0.00021 -0.00063 -0.00166 0.00047 0.00061 122 16 C 1S -0.00178 0.00269 0.00919 -0.00007 -0.00379 123 2S 0.00265 -0.00452 -0.02100 -0.00007 0.01060 124 2PX -0.00503 0.01912 0.03137 -0.00231 -0.00562 125 2PY 0.00170 -0.00504 -0.01828 0.00154 0.01159 126 2PZ 0.00224 -0.00609 -0.00582 0.00214 -0.00873 127 3S 0.00362 -0.01131 -0.05396 -0.00009 0.02764 128 3PX -0.00660 0.01009 0.00585 -0.00333 0.00106 129 3PY 0.00256 -0.00679 -0.01974 -0.00115 0.01112 130 3PZ 0.00154 -0.01149 -0.02472 0.00222 -0.00967 131 4XX -0.00079 0.00083 0.00598 -0.00039 -0.00412 132 4YY -0.00013 -0.00023 -0.00213 -0.00021 0.00109 133 4ZZ -0.00029 0.00012 -0.00135 -0.00021 0.00082 134 4XY -0.00016 0.00026 -0.00434 0.00101 0.00386 135 4XZ -0.00048 0.00093 -0.00196 0.00047 0.00187 136 4YZ -0.00029 0.00044 0.00517 -0.00091 -0.00430 137 17 C 1S -0.00034 0.00050 0.00186 0.00057 -0.00048 138 2S 0.00067 -0.00179 -0.00524 -0.00022 0.00168 139 2PX -0.00090 0.00227 0.00497 0.00063 -0.00143 140 2PY 0.00109 -0.00156 -0.00104 -0.00156 -0.00200 141 2PZ 0.00032 0.00003 0.00697 -0.00135 -0.00802 142 3S 0.00165 -0.00332 -0.01102 -0.00436 0.00234 143 3PX 0.00030 -0.00055 0.00236 0.00139 -0.00356 144 3PY 0.00028 -0.00057 -0.00142 -0.00024 0.00168 145 3PZ -0.00027 0.00123 0.01152 -0.00190 -0.00961 146 4XX -0.00023 0.00067 0.00161 0.00012 -0.00048 147 4YY 0.00009 -0.00031 -0.00023 -0.00001 0.00004 148 4ZZ 0.00007 -0.00029 -0.00126 0.00012 0.00031 149 4XY 0.00002 -0.00031 0.00120 -0.00028 -0.00135 150 4XZ -0.00003 0.00015 0.00061 -0.00025 -0.00047 151 4YZ -0.00011 0.00011 -0.00132 0.00029 0.00148 152 18 H 1S 0.00083 -0.00296 -0.02683 0.00212 0.02058 153 2S 0.00005 -0.00132 -0.01968 0.00411 0.00494 154 19 H 1S 0.00063 -0.00138 -0.00488 0.00007 0.00086 155 2S 0.00066 -0.00226 -0.01326 0.00431 0.00874 156 20 H 1S 0.00040 -0.00107 0.00591 0.00079 -0.00432 157 2S 0.00059 -0.00059 0.02536 0.00062 -0.01693 158 21 O 1S 0.00003 0.00038 -0.00238 0.00041 0.00198 159 2S 0.00010 -0.00105 0.00425 -0.00032 -0.00298 160 2PX 0.00146 -0.00392 -0.04303 0.00710 0.03015 161 2PY -0.00082 -0.00067 -0.00104 -0.00082 0.00201 162 2PZ -0.00083 0.00297 0.03259 -0.00411 -0.02205 163 3S -0.00062 -0.00216 0.01710 -0.00387 -0.01805 164 3PX 0.00134 -0.00261 -0.03879 0.00824 0.03032 165 3PY -0.00076 -0.00013 -0.00032 -0.00031 0.00157 166 3PZ -0.00103 0.00346 0.03012 -0.00421 -0.01983 167 4XX 0.00009 -0.00010 -0.00275 0.00069 0.00236 168 4YY 0.00004 0.00005 -0.00045 0.00012 0.00073 169 4ZZ 0.00015 -0.00011 0.00128 0.00009 -0.00096 170 4XY 0.00003 -0.00009 -0.00141 0.00026 0.00123 171 4XZ 0.00002 -0.00004 0.00042 -0.00002 -0.00035 172 4YZ 0.00002 -0.00009 0.00003 0.00013 -0.00002 173 22 O 1S 0.00025 -0.00140 -0.00322 -0.00047 0.00087 174 2S -0.00129 0.00318 0.00264 0.00153 0.00027 175 2PX 0.00317 -0.01246 -0.00852 -0.00184 -0.00689 176 2PY -0.00082 -0.00223 -0.00006 0.00070 0.00067 177 2PZ -0.00062 0.00105 0.00173 -0.00194 0.00447 178 3S 0.00114 0.00790 0.03874 0.00181 -0.01430 179 3PX 0.00189 -0.01051 -0.01370 -0.00021 -0.00372 180 3PY -0.00093 -0.00179 -0.00431 0.00012 0.00182 181 3PZ -0.00173 0.00208 -0.00205 -0.00177 0.00526 182 4XX -0.00008 -0.00055 -0.00230 0.00019 0.00099 183 4YY -0.00033 -0.00005 -0.00142 0.00003 0.00070 184 4ZZ -0.00035 0.00000 -0.00131 0.00040 0.00115 185 4XY -0.00003 0.00064 0.00059 0.00017 0.00032 186 4XZ 0.00017 0.00006 0.00018 0.00001 0.00009 187 4YZ 0.00007 0.00021 0.00132 -0.00016 -0.00089 188 23 H 1S -0.00094 0.00273 0.00763 -0.00022 -0.00253 189 2S -0.00200 0.00547 0.01682 -0.00112 -0.00554 21 22 23 24 25 21 3S 0.25009 22 3PX -0.00529 0.12000 23 3PY -0.00772 -0.02130 0.06236 24 3PZ -0.01273 -0.06577 0.01395 0.09329 25 4XX -0.00562 0.00526 -0.00006 -0.00248 0.00092 26 4YY -0.00311 -0.00157 -0.00297 0.00079 -0.00023 27 4ZZ -0.00246 -0.00264 0.00301 0.00047 0.00022 28 4XY -0.00261 -0.00016 -0.00037 0.00330 0.00019 29 4XZ 0.00814 -0.00040 0.00261 -0.00111 -0.00007 30 4YZ -0.00706 0.00159 0.00072 0.00212 -0.00003 31 3 C 1S 0.01167 -0.00739 -0.00605 0.00475 -0.00160 32 2S 0.01681 0.03363 0.00949 0.00613 0.00278 33 2PX -0.04581 0.07528 -0.09235 -0.09988 0.00836 34 2PY -0.10481 -0.06144 0.00968 -0.00562 -0.00424 35 2PZ -0.05017 -0.09000 -0.03205 0.03877 -0.00521 36 3S -0.02631 0.02878 0.00108 0.00198 0.00396 37 3PX 0.00784 0.06574 -0.05177 -0.06094 0.00568 38 3PY -0.01880 -0.01759 0.00217 0.00261 -0.00159 39 3PZ -0.00662 -0.05088 0.00022 0.03336 -0.00484 40 4XX 0.00431 -0.00751 0.00330 0.00592 -0.00025 41 4YY -0.00597 -0.00072 -0.00312 -0.00082 -0.00024 42 4ZZ 0.00227 0.00471 -0.00133 -0.00632 0.00025 43 4XY 0.00401 -0.00042 0.00006 0.00233 -0.00028 44 4XZ 0.00598 0.00115 0.00283 -0.00064 -0.00010 45 4YZ 0.00437 0.00323 0.00034 -0.00096 -0.00001 46 4 C 1S 0.00523 0.00086 0.00403 0.00805 -0.00046 47 2S -0.00898 0.00033 -0.00849 -0.01522 0.00036 48 2PX 0.02770 -0.00835 0.02936 0.02850 -0.00027 49 2PY 0.00917 0.00778 0.00647 -0.00236 0.00009 50 2PZ 0.00219 0.01028 0.03196 -0.00730 -0.00133 51 3S 0.01674 0.02532 -0.02143 -0.03851 0.00276 52 3PX 0.00631 -0.00640 0.01540 0.01190 -0.00006 53 3PY -0.01091 0.00283 0.00708 -0.00932 -0.00007 54 3PZ -0.00610 0.00785 0.01123 -0.00484 -0.00042 55 4XX 0.00156 -0.00186 0.00296 0.00260 -0.00019 56 4YY -0.00276 -0.00146 0.00003 -0.00033 -0.00015 57 4ZZ 0.00089 0.00367 -0.00188 -0.00192 0.00036 58 4XY 0.00124 0.00085 0.00104 0.00037 0.00004 59 4XZ 0.00203 -0.00284 0.00235 0.00493 -0.00027 60 4YZ -0.00073 0.00128 0.00183 -0.00127 0.00005 61 5 C 1S 0.01091 0.00010 -0.00349 0.00343 0.00000 62 2S -0.02105 0.00217 0.00597 -0.00989 0.00002 63 2PX 0.01312 -0.00580 -0.01726 0.00098 0.00032 64 2PY -0.01907 -0.01994 -0.00708 0.00331 -0.00082 65 2PZ 0.07872 0.00221 -0.02449 0.03397 -0.00066 66 3S -0.06109 -0.01894 0.02946 -0.00435 -0.00151 67 3PX 0.00820 -0.00075 -0.00912 -0.00002 0.00052 68 3PY -0.01691 -0.01748 -0.00055 0.00539 -0.00108 69 3PZ 0.04098 0.00211 -0.01699 0.01557 -0.00033 70 4XX 0.00343 0.00067 -0.00109 0.00115 0.00006 71 4YY 0.00111 0.00062 -0.00183 -0.00139 0.00004 72 4ZZ -0.00283 -0.00075 0.00254 0.00033 -0.00006 73 4XY 0.00078 0.00013 0.00123 0.00081 0.00002 74 4XZ -0.00001 0.00164 -0.00060 -0.00082 0.00009 75 4YZ -0.00127 -0.00001 0.00086 -0.00131 -0.00003 76 6 C 1S -0.00303 -0.00672 -0.00510 -0.00511 0.00018 77 2S -0.01977 0.00622 0.01885 -0.00130 -0.00040 78 2PX -0.05035 -0.04990 0.02124 -0.00967 -0.00314 79 2PY -0.09132 -0.00084 0.05080 0.00108 -0.00096 80 2PZ -0.01051 0.00962 -0.00765 -0.02947 0.00187 81 3S -0.00893 -0.00720 0.01227 -0.00387 0.00001 82 3PX -0.03723 -0.03354 0.01961 0.00655 -0.00305 83 3PY -0.02368 0.00135 0.00591 -0.00062 0.00037 84 3PZ 0.01302 0.03090 -0.01855 -0.02248 0.00163 85 4XX -0.00039 -0.00408 0.00039 0.00387 0.00008 86 4YY 0.00672 0.00057 -0.00498 -0.00061 -0.00015 87 4ZZ -0.00420 0.00209 0.00247 -0.00267 0.00001 88 4XY -0.00341 -0.00024 0.00201 -0.00151 0.00021 89 4XZ -0.00159 0.00231 0.00038 -0.00107 0.00001 90 4YZ -0.00237 -0.00190 0.00139 0.00022 0.00008 91 7 H 1S -0.06039 -0.00249 0.01989 -0.00279 0.00081 92 2S -0.06761 -0.00572 0.03824 0.00226 0.00160 93 8 H 1S 0.11509 -0.03241 0.03912 -0.05971 -0.00192 94 2S 0.05423 -0.01788 0.02558 -0.05144 0.00069 95 9 H 1S -0.06200 -0.01712 -0.00229 -0.00667 -0.00145 96 2S -0.05922 -0.02896 -0.00593 -0.00120 -0.00308 97 10 H 1S 0.01770 -0.00668 0.02873 0.01867 -0.00089 98 2S 0.02303 -0.01668 0.03781 0.03879 -0.00252 99 11 H 1S 0.01949 0.00705 -0.01408 0.00038 0.00055 100 2S 0.02803 0.01617 -0.02155 -0.00398 0.00080 101 12 H 1S 0.05609 0.00088 -0.03258 -0.00069 -0.00029 102 2S 0.06422 0.00665 -0.04800 -0.00210 -0.00007 103 13 H 1S 0.02056 0.00050 0.00488 0.01533 -0.00054 104 2S 0.01847 -0.01192 0.00768 0.02316 -0.00055 105 14 H 1S -0.01230 0.01935 -0.00436 -0.03019 0.00081 106 2S -0.01121 0.01789 -0.00456 -0.02564 0.00164 107 15 C 1S 0.00207 0.00807 -0.00240 -0.00513 -0.00017 108 2S 0.00404 -0.01433 0.00315 0.01321 0.00011 109 2PX 0.03491 0.07599 -0.02114 -0.03844 -0.00104 110 2PY 0.00095 0.01106 0.00159 -0.01328 -0.00105 111 2PZ -0.02183 -0.05769 0.01045 0.03310 0.00011 112 3S -0.01672 -0.04058 0.01633 0.02603 0.00024 113 3PX 0.01873 0.05288 -0.01493 -0.03147 0.00003 114 3PY -0.00030 0.02555 0.00055 -0.01794 -0.00019 115 3PZ -0.02370 -0.04985 0.01446 0.02776 -0.00002 116 4XX -0.00099 -0.00035 0.00038 0.00045 -0.00005 117 4YY -0.00034 -0.00066 -0.00015 -0.00027 0.00002 118 4ZZ 0.00145 0.00194 -0.00056 -0.00077 -0.00002 119 4XY -0.00062 0.00072 0.00100 -0.00074 -0.00027 120 4XZ 0.00230 0.00173 -0.00120 0.00001 0.00005 121 4YZ -0.00015 -0.00124 -0.00023 0.00098 0.00026 122 16 C 1S 0.00660 0.00950 0.00149 -0.00354 -0.00071 123 2S -0.01526 -0.02241 -0.00030 0.00661 0.00088 124 2PX -0.01133 0.02166 0.01372 -0.02091 -0.00527 125 2PY -0.00914 -0.01859 -0.00229 0.01558 0.00107 126 2PZ -0.00464 -0.01003 -0.00721 0.00057 0.00439 127 3S -0.00267 -0.04286 -0.01053 0.02490 0.00169 128 3PX -0.00189 0.00789 0.00921 -0.00564 -0.00394 129 3PY -0.00725 -0.01495 -0.00065 0.01187 0.00084 130 3PZ 0.00411 -0.01273 -0.00996 0.00643 0.00308 131 4XX -0.00147 0.00315 -0.00123 -0.00385 0.00026 132 4YY 0.00113 -0.00075 0.00027 0.00119 -0.00010 133 4ZZ 0.00123 -0.00017 0.00052 0.00131 -0.00016 134 4XY -0.00143 -0.00423 0.00158 0.00243 -0.00005 135 4XZ -0.00108 -0.00206 0.00124 0.00098 -0.00017 136 4YZ 0.00187 0.00491 -0.00049 -0.00297 0.00001 137 17 C 1S 0.00279 0.00243 0.00033 -0.00011 -0.00014 138 2S -0.00557 -0.00495 -0.00172 0.00178 0.00027 139 2PX 0.01185 0.00676 0.00378 -0.00028 -0.00038 140 2PY -0.00972 -0.00404 -0.00215 -0.00346 0.00024 141 2PZ -0.00517 0.00460 -0.00088 -0.00843 -0.00017 142 3S -0.00761 -0.00954 -0.00351 0.00352 0.00052 143 3PX 0.00088 0.00233 0.00134 -0.00239 0.00000 144 3PY 0.00171 -0.00068 -0.00042 0.00243 -0.00004 145 3PZ 0.00308 0.01175 -0.00035 -0.00791 -0.00057 146 4XX 0.00205 0.00194 0.00033 -0.00015 -0.00011 147 4YY 0.00078 0.00019 0.00022 0.00015 0.00000 148 4ZZ -0.00281 -0.00202 -0.00042 -0.00013 0.00010 149 4XY 0.00118 0.00160 -0.00109 -0.00084 0.00006 150 4XZ -0.00047 0.00030 -0.00028 -0.00039 -0.00001 151 4YZ 0.00189 -0.00040 0.00074 0.00206 -0.00009 152 18 H 1S -0.00649 -0.02164 0.00339 0.01689 -0.00102 153 2S -0.00200 -0.01156 0.00511 0.00920 -0.00139 154 19 H 1S -0.01206 -0.00794 -0.00186 -0.00143 0.00039 155 2S -0.01737 -0.01862 -0.00056 0.00370 0.00096 156 20 H 1S 0.00813 0.00940 -0.00345 -0.00179 0.00094 157 2S 0.00617 0.02183 -0.00528 -0.01227 0.00117 158 21 O 1S -0.00543 -0.00314 0.00232 0.00044 0.00000 159 2S 0.01365 0.00674 -0.00621 0.00084 0.00009 160 2PX -0.02271 -0.04386 0.01548 0.02318 0.00031 161 2PY 0.01673 0.00766 -0.00397 0.01235 -0.00001 162 2PZ 0.01045 0.03158 -0.00332 -0.02612 -0.00068 163 3S 0.01897 0.01954 -0.00641 -0.00831 -0.00044 164 3PX -0.01853 -0.03921 0.01308 0.02231 0.00021 165 3PY 0.01304 0.00582 -0.00226 0.00876 -0.00012 166 3PZ 0.01212 0.02958 -0.00470 -0.02175 -0.00053 167 4XX -0.00048 -0.00241 0.00063 0.00160 0.00002 168 4YY 0.00033 -0.00017 -0.00018 0.00089 0.00002 169 4ZZ -0.00012 0.00105 -0.00029 -0.00081 0.00007 170 4XY -0.00099 -0.00170 0.00061 0.00083 0.00003 171 4XZ 0.00059 0.00058 -0.00016 -0.00001 0.00001 172 4YZ -0.00005 0.00005 -0.00005 -0.00032 0.00003 173 22 O 1S 0.00079 -0.00142 -0.00426 0.00192 0.00007 174 2S -0.00745 -0.00210 0.00988 -0.00330 -0.00017 175 2PX -0.01266 -0.00817 -0.01627 -0.00864 0.00236 176 2PY 0.03843 0.01577 0.00470 0.01122 -0.00047 177 2PZ 0.04572 0.02054 0.00925 0.01854 -0.00184 178 3S 0.00169 0.02453 0.01277 -0.01834 -0.00011 179 3PX -0.01067 -0.01123 -0.01247 -0.00388 0.00200 180 3PY 0.02535 0.00766 0.00281 0.00921 -0.00036 181 3PZ 0.03138 0.01284 0.00864 0.01390 -0.00202 182 4XX 0.00069 -0.00147 -0.00013 0.00156 0.00013 183 4YY -0.00216 -0.00173 -0.00044 0.00007 0.00000 184 4ZZ -0.00044 -0.00103 0.00032 0.00067 -0.00012 185 4XY -0.00004 0.00020 0.00066 0.00002 -0.00009 186 4XZ -0.00101 -0.00032 0.00012 -0.00034 -0.00002 187 4YZ -0.00163 0.00030 -0.00037 -0.00151 0.00002 188 23 H 1S 0.01089 0.00930 0.00200 -0.00084 -0.00050 189 2S 0.01796 0.01861 0.00258 -0.00354 -0.00101 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00019 0.00089 28 4XY 0.00000 -0.00032 0.00095 29 4XZ -0.00048 0.00026 -0.00017 0.00067 30 4YZ 0.00014 -0.00011 0.00042 -0.00028 0.00117 31 3 C 1S 0.00118 -0.00024 -0.00373 -0.00330 -0.00332 32 2S -0.00344 0.00008 0.00671 0.00637 0.00626 33 2PX 0.00220 -0.00219 -0.00235 -0.00296 -0.00857 34 2PY 0.01331 -0.00190 0.00163 -0.00724 0.00162 35 2PZ 0.00246 0.01017 -0.00838 0.00074 -0.00096 36 3S -0.00287 -0.00161 0.00854 0.00402 0.00762 37 3PX -0.00025 -0.00269 0.00001 -0.00054 -0.00548 38 3PY 0.00408 0.00056 0.00027 -0.00162 0.00013 39 3PZ 0.00198 0.00448 -0.00454 0.00042 0.00162 40 4XX -0.00020 0.00012 -0.00005 0.00004 -0.00034 41 4YY 0.00096 -0.00047 0.00024 -0.00056 0.00029 42 4ZZ -0.00037 0.00030 -0.00056 0.00018 -0.00043 43 4XY 0.00009 -0.00028 0.00027 0.00003 0.00026 44 4XZ -0.00031 0.00010 -0.00010 0.00045 0.00003 45 4YZ -0.00002 -0.00044 0.00010 -0.00005 0.00013 46 4 C 1S 0.00081 -0.00156 0.00079 -0.00073 0.00027 47 2S -0.00158 0.00302 -0.00173 0.00157 -0.00069 48 2PX 0.00138 -0.00377 0.00102 -0.00129 0.00015 49 2PY -0.00124 0.00210 -0.00250 0.00116 0.00024 50 2PZ 0.00397 -0.00733 0.00401 -0.00607 0.00075 51 3S -0.00435 0.00350 -0.00172 0.00278 -0.00357 52 3PX 0.00070 -0.00170 0.00039 -0.00059 0.00017 53 3PY 0.00008 0.00119 -0.00209 0.00026 -0.00024 54 3PZ 0.00203 -0.00434 0.00270 -0.00305 0.00127 55 4XX 0.00007 -0.00013 0.00006 -0.00013 0.00012 56 4YY 0.00035 -0.00004 0.00000 -0.00017 0.00008 57 4ZZ -0.00033 0.00002 0.00010 0.00024 -0.00004 58 4XY -0.00002 -0.00015 0.00001 -0.00004 -0.00002 59 4XZ -0.00010 0.00019 -0.00001 0.00024 0.00032 60 4YZ -0.00011 -0.00019 0.00008 -0.00013 -0.00005 61 5 C 1S -0.00020 -0.00037 -0.00004 0.00009 -0.00021 62 2S 0.00036 0.00057 0.00040 -0.00017 0.00066 63 2PX 0.00065 -0.00085 0.00037 -0.00006 -0.00122 64 2PY 0.00190 -0.00047 0.00034 -0.00073 -0.00083 65 2PZ 0.00059 -0.00074 -0.00159 0.00000 -0.00019 66 3S 0.00205 0.00193 -0.00050 -0.00079 0.00335 67 3PX -0.00004 -0.00043 0.00021 0.00014 -0.00073 68 3PY 0.00223 -0.00055 0.00015 -0.00102 -0.00066 69 3PZ 0.00057 -0.00069 -0.00145 -0.00003 -0.00060 70 4XX 0.00000 -0.00005 0.00006 0.00003 -0.00020 71 4YY -0.00008 0.00000 0.00012 0.00001 0.00000 72 4ZZ 0.00004 0.00005 -0.00026 -0.00002 0.00013 73 4XY -0.00002 -0.00008 0.00008 -0.00002 0.00000 74 4XZ 0.00005 -0.00005 0.00014 0.00004 -0.00038 75 4YZ 0.00008 -0.00019 0.00027 -0.00018 0.00006 76 6 C 1S -0.00096 -0.00025 0.00180 -0.00008 0.00116 77 2S 0.00214 0.00080 -0.00376 0.00016 -0.00224 78 2PX -0.00147 0.00075 -0.00179 -0.00173 0.01077 79 2PY 0.00422 0.00076 -0.00592 -0.00001 -0.00219 80 2PZ -0.00324 -0.00147 0.00819 -0.00049 -0.00079 81 3S 0.00135 0.00112 -0.00563 0.00036 -0.00433 82 3PX 0.00079 0.00046 -0.00236 -0.00133 0.00703 83 3PY 0.00088 -0.00001 -0.00276 0.00020 -0.00146 84 3PZ -0.00087 -0.00208 0.00456 -0.00042 -0.00175 85 4XX 0.00005 -0.00004 0.00039 -0.00001 -0.00032 86 4YY -0.00003 -0.00027 0.00013 -0.00009 0.00012 87 4ZZ -0.00001 0.00015 -0.00015 -0.00001 0.00047 88 4XY -0.00031 0.00018 0.00009 0.00005 0.00023 89 4XZ 0.00021 0.00003 -0.00008 0.00004 -0.00001 90 4YZ -0.00023 0.00018 0.00029 0.00004 0.00003 91 7 H 1S 0.00186 0.00080 0.00512 -0.00002 0.00716 92 2S -0.00151 0.00192 0.00529 0.00049 0.00783 93 8 H 1S -0.00407 0.00550 -0.00785 0.00827 -0.01087 94 2S -0.00362 0.00647 -0.00774 0.00608 -0.01062 95 9 H 1S 0.00806 -0.00273 0.00411 -0.00313 0.00349 96 2S 0.00889 -0.00329 0.00215 -0.00474 0.00263 97 10 H 1S 0.00033 -0.00156 0.00015 -0.00073 0.00083 98 2S 0.00077 -0.00124 0.00046 -0.00081 0.00265 99 11 H 1S 0.00013 -0.00008 0.00000 0.00035 -0.00131 100 2S 0.00006 -0.00013 0.00028 0.00060 -0.00304 101 12 H 1S -0.00127 -0.00082 0.00167 -0.00027 0.00090 102 2S -0.00118 -0.00192 0.00249 -0.00048 0.00055 103 13 H 1S -0.00031 0.00069 -0.00159 0.00023 0.00150 104 2S -0.00064 0.00071 -0.00181 0.00036 0.00143 105 14 H 1S -0.00014 -0.00072 0.00062 -0.00133 -0.00077 106 2S -0.00013 -0.00169 0.00141 -0.00151 -0.00146 107 15 C 1S -0.00007 -0.00009 -0.00015 0.00014 0.00012 108 2S 0.00011 0.00012 0.00040 -0.00022 -0.00031 109 2PX 0.00086 0.00078 -0.00032 0.00094 0.00042 110 2PY 0.00089 0.00044 -0.00083 -0.00027 0.00109 111 2PZ -0.00024 -0.00055 -0.00062 -0.00048 0.00030 112 3S 0.00068 -0.00088 0.00199 -0.00100 -0.00083 113 3PX 0.00029 0.00002 0.00069 0.00051 -0.00006 114 3PY 0.00078 -0.00009 -0.00034 -0.00015 0.00064 115 3PZ -0.00031 -0.00039 0.00057 -0.00056 0.00063 116 4XX 0.00003 -0.00002 -0.00023 0.00002 0.00018 117 4YY 0.00000 -0.00001 0.00009 -0.00003 -0.00004 118 4ZZ -0.00001 0.00004 0.00008 0.00004 -0.00003 119 4XY 0.00012 0.00015 -0.00017 0.00000 0.00028 120 4XZ -0.00001 -0.00003 0.00010 0.00003 -0.00011 121 4YZ -0.00010 -0.00014 0.00022 0.00001 -0.00028 122 16 C 1S 0.00004 -0.00029 -0.00017 0.00039 0.00066 123 2S -0.00016 0.00024 0.00053 -0.00088 -0.00094 124 2PX 0.00263 0.00291 -0.00297 0.00048 0.00435 125 2PY -0.00085 -0.00015 0.00044 -0.00018 -0.00114 126 2PZ -0.00130 -0.00243 0.00268 0.00039 -0.00363 127 3S -0.00169 0.00040 0.00083 -0.00036 -0.00243 128 3PX 0.00184 0.00224 -0.00266 0.00043 0.00313 129 3PY 0.00011 -0.00090 0.00134 -0.00057 -0.00123 130 3PZ -0.00116 -0.00129 0.00150 0.00028 -0.00358 131 4XX -0.00010 -0.00022 0.00008 0.00007 -0.00014 132 4YY 0.00008 0.00001 -0.00001 -0.00004 0.00004 133 4ZZ 0.00007 0.00017 -0.00011 0.00001 0.00009 134 4XY -0.00004 0.00002 -0.00003 0.00000 0.00001 135 4XZ 0.00010 0.00012 -0.00007 -0.00003 0.00009 136 4YZ 0.00007 0.00000 0.00001 0.00008 0.00002 137 17 C 1S -0.00001 -0.00005 -0.00008 0.00009 0.00010 138 2S -0.00017 0.00000 0.00016 -0.00011 -0.00026 139 2PX 0.00030 0.00020 -0.00013 0.00023 0.00037 140 2PY 0.00004 0.00020 -0.00006 -0.00024 -0.00018 141 2PZ 0.00010 0.00011 -0.00029 0.00014 0.00024 142 3S -0.00031 -0.00026 0.00027 -0.00021 -0.00048 143 3PX -0.00001 0.00012 -0.00013 0.00011 0.00014 144 3PY -0.00003 0.00003 -0.00009 -0.00008 0.00011 145 3PZ 0.00029 0.00067 -0.00046 0.00021 0.00057 146 4XX 0.00009 0.00013 -0.00005 0.00004 0.00009 147 4YY -0.00002 0.00000 0.00001 -0.00002 0.00002 148 4ZZ -0.00006 -0.00011 0.00004 -0.00001 -0.00009 149 4XY -0.00004 -0.00008 0.00006 0.00002 -0.00010 150 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 151 4YZ 0.00003 0.00004 -0.00007 0.00001 0.00012 152 18 H 1S 0.00002 0.00110 -0.00076 -0.00068 0.00057 153 2S 0.00026 0.00140 -0.00166 -0.00025 0.00089 154 19 H 1S -0.00023 -0.00041 0.00014 -0.00006 -0.00038 155 2S -0.00051 -0.00114 0.00053 -0.00017 -0.00089 156 20 H 1S -0.00043 -0.00018 0.00129 0.00016 -0.00121 157 2S -0.00052 -0.00024 0.00125 0.00024 -0.00070 158 21 O 1S -0.00004 0.00000 0.00015 -0.00004 -0.00002 159 2S 0.00004 -0.00011 -0.00016 0.00009 -0.00007 160 2PX -0.00041 -0.00058 -0.00003 -0.00051 0.00033 161 2PY -0.00024 -0.00028 0.00001 0.00026 -0.00006 162 2PZ 0.00034 0.00066 0.00025 0.00007 0.00020 163 3S 0.00028 0.00054 -0.00178 0.00022 0.00067 164 3PX -0.00031 -0.00046 0.00025 -0.00043 0.00026 165 3PY -0.00018 -0.00004 -0.00020 0.00024 0.00007 166 3PZ 0.00030 0.00051 0.00043 0.00015 0.00008 167 4XX -0.00002 -0.00001 0.00007 -0.00002 -0.00004 168 4YY -0.00002 -0.00004 0.00007 0.00000 -0.00003 169 4ZZ -0.00002 -0.00003 0.00009 0.00001 -0.00008 170 4XY -0.00003 -0.00003 0.00002 -0.00002 0.00001 171 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 172 4YZ -0.00002 0.00000 0.00006 0.00000 -0.00005 173 22 O 1S -0.00006 -0.00013 -0.00001 -0.00007 -0.00018 174 2S 0.00022 0.00056 -0.00003 0.00008 0.00030 175 2PX -0.00167 -0.00254 0.00170 -0.00035 -0.00253 176 2PY -0.00014 -0.00020 -0.00006 0.00047 0.00051 177 2PZ 0.00100 0.00209 -0.00139 0.00009 0.00235 178 3S 0.00019 0.00009 0.00011 0.00016 0.00123 179 3PX -0.00128 -0.00180 0.00141 -0.00017 -0.00239 180 3PY -0.00012 -0.00005 -0.00014 0.00034 0.00031 181 3PZ 0.00108 0.00199 -0.00138 0.00012 0.00209 182 4XX -0.00005 -0.00002 0.00009 0.00000 -0.00014 183 4YY 0.00002 0.00003 0.00000 -0.00002 -0.00005 184 4ZZ 0.00001 0.00007 -0.00009 0.00001 0.00008 185 4XY 0.00007 0.00009 -0.00006 0.00000 0.00010 186 4XZ 0.00001 0.00003 -0.00001 -0.00002 0.00002 187 4YZ 0.00000 -0.00006 0.00002 -0.00001 -0.00002 188 23 H 1S 0.00037 0.00047 -0.00021 0.00017 0.00044 189 2S 0.00070 0.00082 -0.00047 0.00027 0.00086 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.06133 0.32633 33 2PX 0.00315 -0.00483 0.35439 34 2PY -0.00191 -0.00376 0.02302 0.41151 35 2PZ 0.00214 0.00093 0.04001 -0.00391 0.38400 36 3S -0.19781 0.29069 0.01224 0.00351 -0.02807 37 3PX -0.00758 0.01604 0.19638 -0.01982 -0.03217 38 3PY 0.00758 0.00820 0.00468 0.13002 0.01758 39 3PZ 0.00297 -0.00462 -0.04853 0.01429 0.17020 40 4XX -0.01132 -0.01296 -0.00889 -0.00494 -0.00137 41 4YY -0.01838 0.00158 0.00429 0.02195 -0.00252 42 4ZZ -0.01398 -0.00730 0.00781 -0.01079 0.00470 43 4XY -0.00161 0.00345 -0.00762 0.00005 -0.00415 44 4XZ -0.00249 0.00560 -0.00453 -0.00528 -0.00116 45 4YZ 0.00081 -0.00153 -0.00335 -0.00229 -0.01081 46 4 C 1S 0.01252 -0.02297 -0.02143 0.02956 -0.05184 47 2S -0.02336 0.03914 0.04299 -0.05548 0.10796 48 2PX 0.01708 -0.03374 0.00050 0.02749 -0.08301 49 2PY -0.02350 0.04868 0.02057 -0.03156 0.11041 50 2PZ 0.06431 -0.13740 -0.10108 0.12207 -0.23451 51 3S 0.00258 0.02396 0.09360 -0.11181 0.08683 52 3PX 0.00271 -0.01329 -0.00003 0.01604 -0.03735 53 3PY -0.00571 0.01148 0.01358 0.00260 0.05339 54 3PZ 0.01309 -0.04402 -0.04351 0.05774 -0.11715 55 4XX 0.00197 -0.00450 -0.00736 0.00167 -0.00375 56 4YY 0.00081 -0.00222 -0.00072 0.00983 -0.00224 57 4ZZ -0.00456 0.00848 0.00573 -0.00739 0.00103 58 4XY 0.00115 -0.00204 0.00143 -0.00103 -0.00361 59 4XZ -0.00264 0.00524 -0.00785 -0.00344 0.00571 60 4YZ 0.00410 -0.00767 -0.00393 -0.00341 -0.00869 61 5 C 1S -0.00202 0.00420 0.00310 -0.00914 0.00489 62 2S 0.00459 -0.00918 -0.00431 0.01813 -0.01663 63 2PX -0.00180 0.00337 0.00565 -0.00361 0.00159 64 2PY 0.01024 -0.02612 -0.00236 0.03528 -0.03068 65 2PZ -0.00336 0.01374 0.00369 -0.00754 0.02387 66 3S -0.00082 -0.01381 -0.04769 0.07650 0.00219 67 3PX 0.00044 0.00408 0.00897 -0.00860 -0.00185 68 3PY 0.00685 -0.01928 -0.00922 0.05188 -0.01857 69 3PZ 0.00016 0.00716 0.01326 -0.00332 0.01589 70 4XX -0.00043 0.00105 0.00160 -0.00085 -0.00003 71 4YY -0.00057 0.00088 0.00258 -0.00192 0.00053 72 4ZZ 0.00018 -0.00091 -0.00295 0.00150 0.00092 73 4XY 0.00034 -0.00060 0.00054 0.00070 -0.00295 74 4XZ -0.00007 0.00012 0.00227 -0.00068 -0.00232 75 4YZ 0.00151 -0.00341 -0.00257 0.00453 -0.00723 76 6 C 1S -0.00468 0.00678 0.00443 -0.01024 -0.00218 77 2S 0.00678 -0.01943 -0.01494 0.02846 0.00306 78 2PX 0.00443 -0.01494 -0.09410 0.02687 0.03865 79 2PY 0.01024 -0.02846 -0.02688 0.03618 0.01453 80 2PZ -0.00218 0.00306 0.03865 -0.01451 -0.06997 81 3S 0.02825 -0.03182 0.02300 0.03182 0.02406 82 3PX 0.00346 -0.01217 -0.08553 0.02905 0.03407 83 3PY 0.01062 -0.00751 0.01954 -0.01164 0.01762 84 3PZ -0.00233 0.00645 0.04464 -0.01710 -0.05610 85 4XX -0.00045 -0.00045 0.00092 0.00052 -0.00105 86 4YY -0.00084 0.00068 0.00196 -0.00122 -0.00053 87 4ZZ -0.00046 0.00014 -0.00232 0.00074 0.00066 88 4XY -0.00044 0.00070 -0.00076 -0.00097 -0.00146 89 4XZ 0.00005 0.00038 0.00001 -0.00024 0.00002 90 4YZ 0.00001 -0.00004 -0.00161 0.00042 -0.00128 91 7 H 1S -0.00753 0.01707 -0.03031 -0.01511 -0.01497 92 2S -0.01234 0.02410 -0.06563 -0.03044 -0.02984 93 8 H 1S 0.01338 -0.02791 0.03270 0.00421 0.03215 94 2S 0.01887 -0.03229 0.07741 -0.00142 0.06794 95 9 H 1S -0.05969 0.11295 0.02941 0.26416 -0.02262 96 2S -0.01311 0.02597 0.00927 0.24494 -0.02196 97 10 H 1S 0.00809 -0.01963 -0.02500 0.00184 -0.02345 98 2S 0.01421 -0.02688 -0.08200 0.01218 -0.02898 99 11 H 1S -0.00421 0.01109 0.01223 -0.01109 0.01092 100 2S -0.00628 0.01442 0.02776 -0.02015 0.01335 101 12 H 1S -0.00252 0.00795 0.01088 -0.00924 -0.00291 102 2S -0.00361 0.01394 0.03433 -0.02541 -0.00578 103 13 H 1S -0.00194 0.00810 -0.00892 -0.00400 0.02444 104 2S -0.00257 0.00829 -0.01197 -0.01247 0.03387 105 14 H 1S 0.00810 -0.02346 -0.00302 0.00514 -0.02613 106 2S 0.01254 -0.02988 0.00775 0.01032 -0.05902 107 15 C 1S -0.00096 0.00324 0.00345 -0.00441 -0.00066 108 2S 0.00309 -0.00397 -0.00801 0.00650 0.00422 109 2PX -0.00602 0.01970 0.00550 -0.00668 -0.00167 110 2PY 0.00166 -0.00256 -0.02186 0.01611 0.01217 111 2PZ 0.00542 -0.01608 -0.01141 0.00646 0.00573 112 3S -0.00390 -0.01547 -0.01235 0.04106 -0.01991 113 3PX -0.00525 0.01582 0.01447 -0.00809 -0.01702 114 3PY -0.00344 0.00096 -0.00298 0.01500 -0.01066 115 3PZ 0.00095 -0.01385 -0.02188 0.00944 -0.00461 116 4XX -0.00015 0.00009 -0.00100 -0.00028 0.00082 117 4YY 0.00008 -0.00002 0.00029 0.00010 -0.00048 118 4ZZ -0.00011 0.00080 0.00016 -0.00085 0.00001 119 4XY 0.00037 -0.00017 -0.00560 0.00230 0.00325 120 4XZ -0.00016 0.00052 0.00162 -0.00076 -0.00149 121 4YZ -0.00043 0.00030 0.00505 -0.00154 -0.00330 122 16 C 1S -0.00195 0.00260 -0.00843 0.00428 0.00244 123 2S 0.00085 -0.01172 0.01025 -0.00287 -0.00672 124 2PX 0.00438 -0.00253 -0.10007 0.03473 0.05650 125 2PY 0.00057 -0.00518 0.02519 -0.01766 -0.00962 126 2PZ -0.00771 0.01090 0.08812 -0.02311 -0.05946 127 3S 0.01939 -0.00898 0.03369 -0.03756 0.01772 128 3PX -0.00116 0.00241 -0.06898 0.02648 0.05827 129 3PY -0.00042 -0.00593 0.01875 0.00967 -0.01997 130 3PZ 0.00289 0.00279 0.07191 -0.01844 -0.02544 131 4XX -0.00166 0.00291 0.00639 -0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 0.00031 0.00308 134 4XY 0.00065 -0.00175 -0.00232 -0.00081 0.00135 135 4XZ 0.00087 -0.00215 -0.00444 0.00155 0.00101 136 4YZ -0.00069 0.00189 0.00161 0.00050 -0.00103 137 17 C 1S 0.00031 0.00016 -0.00230 0.00028 0.00028 138 2S -0.00014 0.00012 0.00528 -0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00789 0.00129 0.00106 140 2PY -0.00028 0.00035 0.00361 0.00069 0.00187 141 2PZ -0.00089 0.00172 -0.00116 0.00103 0.00274 142 3S -0.00167 -0.00067 0.01412 -0.00313 -0.00049 143 3PX 0.00070 0.00067 -0.00054 -0.00011 0.00161 144 3PY 0.00010 -0.00080 -0.00121 -0.00034 0.00116 145 3PZ -0.00012 0.00145 -0.01062 0.00170 0.00866 146 4XX 0.00047 -0.00028 -0.00260 0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00261 -0.00051 -0.00089 149 4XY -0.00036 0.00075 0.00234 -0.00068 -0.00100 150 4XZ -0.00011 0.00015 0.00004 0.00017 -0.00005 151 4YZ 0.00050 -0.00078 -0.00242 0.00047 0.00097 152 18 H 1S 0.00600 -0.01492 -0.02504 0.00206 0.02148 153 2S 0.00674 -0.01323 -0.02736 0.00706 0.02821 154 19 H 1S -0.00145 0.00102 0.00985 -0.00186 -0.00338 155 2S -0.00191 0.00050 0.01930 -0.00327 -0.01361 156 20 H 1S -0.00217 0.00570 0.01886 -0.00820 -0.01269 157 2S -0.00428 0.00822 0.02244 -0.01240 -0.02171 158 21 O 1S -0.00022 -0.00083 -0.00029 0.00057 -0.00038 159 2S -0.00032 0.00189 0.00260 -0.00159 -0.00241 160 2PX 0.00196 -0.01053 -0.00511 0.00636 0.00385 161 2PY -0.00012 0.00069 0.00505 -0.00592 -0.00207 162 2PZ -0.00038 0.00618 -0.01085 0.00505 0.00366 163 3S 0.00417 0.00260 -0.00468 -0.00354 0.01629 164 3PX 0.00087 -0.00950 -0.00800 0.00668 0.00037 165 3PY 0.00084 0.00063 0.00068 -0.00534 0.00212 166 3PZ -0.00100 0.00695 -0.00652 0.00313 0.00013 167 4XX 0.00013 -0.00070 -0.00054 0.00032 -0.00035 168 4YY -0.00035 0.00001 0.00039 -0.00001 -0.00100 169 4ZZ -0.00059 0.00049 0.00161 -0.00047 -0.00143 170 4XY -0.00006 -0.00032 0.00006 -0.00005 -0.00023 171 4XZ -0.00001 0.00012 0.00024 -0.00009 -0.00015 172 4YZ 0.00000 0.00005 0.00046 -0.00022 -0.00048 173 22 O 1S -0.00006 0.00124 0.00404 -0.00016 0.00063 174 2S 0.00144 -0.00357 -0.00922 0.00011 0.00159 175 2PX -0.00871 0.01381 0.06018 -0.01144 -0.01992 176 2PY 0.00185 -0.00158 -0.00860 -0.00100 0.00434 177 2PZ 0.00815 -0.00917 -0.05232 0.01312 0.02773 178 3S -0.00560 -0.00092 -0.01760 0.00057 -0.01792 179 3PX -0.00393 0.01001 0.05169 -0.01067 -0.01445 180 3PY 0.00167 -0.00082 -0.00514 -0.00137 0.00722 181 3PZ 0.00725 -0.00760 -0.04912 0.01409 0.03125 182 4XX 0.00024 -0.00022 0.00249 -0.00102 -0.00083 183 4YY 0.00041 0.00028 0.00014 0.00053 0.00077 184 4ZZ 0.00077 -0.00013 -0.00221 0.00025 0.00242 185 4XY 0.00030 -0.00069 -0.00263 0.00048 0.00036 186 4XZ 0.00009 -0.00043 -0.00078 0.00004 0.00006 187 4YZ -0.00035 0.00059 0.00104 0.00015 -0.00079 188 23 H 1S 0.00142 -0.00087 -0.01076 0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02156 0.00370 0.00565 36 37 38 39 40 36 3S 0.30061 37 3PX 0.02129 0.12488 38 3PY -0.00563 -0.00623 0.05321 39 3PZ -0.02581 -0.05271 0.01513 0.09658 40 4XX -0.01129 -0.00518 -0.00167 0.00075 0.00149 41 4YY 0.00386 0.00114 0.00652 -0.00038 -0.00052 42 4ZZ -0.00678 0.00449 -0.00330 -0.00006 0.00007 43 4XY 0.00321 -0.00319 -0.00011 -0.00028 0.00000 44 4XZ 0.00351 -0.00169 -0.00145 0.00063 -0.00001 45 4YZ -0.00060 -0.00006 -0.00162 -0.00357 0.00014 46 4 C 1S -0.00158 -0.00447 0.00707 -0.00574 0.00165 47 2S 0.01520 0.01064 -0.01664 0.02430 -0.00383 48 2PX -0.03857 0.00011 0.00297 -0.01549 0.00730 49 2PY 0.03621 0.00743 -0.01298 0.05085 -0.00065 50 2PZ -0.11064 -0.03884 0.01884 -0.09077 0.00545 51 3S 0.00025 0.04852 -0.02853 -0.00064 -0.00365 52 3PX -0.01153 -0.00165 -0.00036 -0.00754 0.00317 53 3PY 0.00988 0.00132 -0.00475 0.02378 -0.00081 54 3PZ -0.02320 -0.01622 0.00275 -0.04786 0.00129 55 4XX -0.00464 -0.00411 -0.00008 0.00010 0.00055 56 4YY -0.00177 -0.00125 0.00342 -0.00014 -0.00011 57 4ZZ 0.00860 0.00455 -0.00229 -0.00148 -0.00043 58 4XY -0.00249 0.00119 -0.00060 -0.00105 0.00026 59 4XZ 0.00331 -0.00505 -0.00034 0.00512 0.00024 60 4YZ -0.00613 -0.00155 -0.00276 -0.00415 0.00030 61 5 C 1S 0.00385 0.00368 -0.00396 0.00182 0.00030 62 2S -0.00945 -0.00480 0.00899 -0.00699 -0.00104 63 2PX 0.01292 -0.00201 -0.00015 -0.00415 0.00016 64 2PY -0.02808 -0.00942 0.01240 -0.02231 -0.00101 65 2PZ -0.00623 0.01452 0.02514 0.02494 0.00235 66 3S -0.01020 -0.04237 0.02365 0.01384 -0.00084 67 3PX 0.00771 0.00407 -0.00201 -0.00494 0.00010 68 3PY -0.01837 -0.01155 0.01565 -0.00894 -0.00038 69 3PZ -0.00339 0.01371 0.01143 0.01345 0.00078 70 4XX 0.00059 0.00185 0.00079 -0.00002 0.00012 71 4YY 0.00051 0.00138 -0.00036 -0.00117 -0.00021 72 4ZZ -0.00049 -0.00227 -0.00067 0.00161 0.00010 73 4XY -0.00114 0.00075 0.00018 -0.00084 0.00020 74 4XZ -0.00027 0.00192 -0.00021 -0.00237 -0.00014 75 4YZ -0.00211 -0.00124 0.00039 -0.00342 0.00004 76 6 C 1S 0.02825 0.00346 -0.01062 -0.00234 -0.00045 77 2S -0.03182 -0.01217 0.00751 0.00645 -0.00045 78 2PX 0.02300 -0.08553 -0.01954 0.04463 0.00092 79 2PY -0.03183 -0.02906 -0.01164 0.01711 -0.00052 80 2PZ 0.02405 0.03407 -0.01761 -0.05610 -0.00105 81 3S -0.04410 0.00580 0.00615 0.01062 0.00048 82 3PX 0.00580 -0.07056 -0.00673 0.04022 0.00074 83 3PY -0.00615 0.00672 -0.01300 0.00672 -0.00022 84 3PZ 0.01062 0.04023 -0.00672 -0.04212 -0.00188 85 4XX 0.00048 0.00074 0.00022 -0.00188 0.00045 86 4YY 0.00050 0.00168 0.00039 -0.00021 -0.00016 87 4ZZ 0.00055 -0.00204 -0.00018 0.00145 -0.00017 88 4XY 0.00203 -0.00098 -0.00099 -0.00105 0.00001 89 4XZ -0.00018 -0.00004 0.00026 -0.00010 -0.00018 90 4YZ 0.00050 -0.00116 0.00007 -0.00136 0.00007 91 7 H 1S 0.04153 -0.02563 -0.00659 -0.01358 0.00034 92 2S 0.04888 -0.04372 -0.01573 -0.01524 0.00109 93 8 H 1S -0.05772 0.01770 0.01040 0.00730 0.00307 94 2S -0.05898 0.03768 0.01146 0.01283 0.00157 95 9 H 1S 0.11235 0.00498 0.08410 -0.00405 -0.00852 96 2S 0.03320 -0.01110 0.07232 0.00217 -0.00501 97 10 H 1S -0.03206 -0.01669 -0.00582 0.00221 0.00458 98 2S -0.04475 -0.04621 0.00375 0.01693 0.00610 99 11 H 1S 0.01102 0.00908 0.00455 0.00279 -0.00024 100 2S 0.01061 0.02205 0.00342 -0.00198 -0.00114 101 12 H 1S 0.00542 0.01174 0.00990 -0.00326 -0.00021 102 2S 0.01443 0.02815 0.00402 -0.00905 -0.00090 103 13 H 1S -0.00360 -0.00075 0.00943 0.02497 0.00137 104 2S 0.00098 -0.00617 0.00178 0.02866 0.00250 105 14 H 1S -0.01620 0.00408 -0.00731 -0.02954 -0.00244 106 2S -0.01438 0.01446 -0.00677 -0.04306 -0.00103 107 15 C 1S -0.00040 0.00317 0.00096 -0.00133 -0.00050 108 2S -0.00631 -0.00581 0.00158 0.00434 0.00121 109 2PX -0.01557 0.01645 0.02124 -0.00019 -0.00642 110 2PY -0.00887 -0.01834 0.00077 0.01980 -0.00219 111 2PZ 0.00404 -0.02241 -0.01483 -0.00082 0.00551 112 3S -0.00131 -0.00671 0.00009 -0.00727 0.00314 113 3PX -0.00104 0.01959 0.01035 -0.00997 -0.00457 114 3PY -0.00791 0.00145 0.00611 0.00096 -0.00247 115 3PZ 0.00824 -0.02259 -0.01129 -0.00260 0.00448 116 4XX 0.00048 -0.00095 -0.00073 0.00042 0.00002 117 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 118 4ZZ -0.00076 0.00059 0.00107 -0.00013 -0.00011 119 4XY -0.00075 -0.00377 0.00101 0.00331 -0.00023 120 4XZ -0.00094 0.00169 0.00101 -0.00148 -0.00002 121 4YZ 0.00172 0.00388 -0.00112 -0.00305 0.00021 122 16 C 1S 0.00479 0.00167 0.00191 0.00396 -0.00149 123 2S 0.00188 -0.00231 -0.00685 -0.00722 0.00264 124 2PX -0.00880 -0.06592 0.01520 0.05403 -0.00496 125 2PY 0.00295 0.01541 -0.00272 -0.01961 0.00346 126 2PZ 0.03433 0.06243 -0.01959 -0.05024 0.00291 127 3S 0.00633 0.00809 -0.01663 -0.00658 0.00472 128 3PX -0.01131 -0.04891 0.01405 0.04815 -0.00307 129 3PY 0.00142 0.01363 -0.00005 -0.01788 0.00193 130 3PZ 0.01276 0.04703 -0.01040 -0.03220 0.00247 131 4XX 0.00712 0.00462 -0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 0.00109 0.00142 0.00004 133 4ZZ -0.00431 -0.00194 0.00251 0.00257 0.00018 134 4XY 0.00026 -0.00166 -0.00187 0.00108 0.00038 135 4XZ -0.00174 -0.00304 0.00075 0.00144 0.00023 136 4YZ -0.00001 0.00253 0.00115 0.00021 -0.00043 137 17 C 1S -0.00427 -0.00077 0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 -0.00097 -0.00391 0.00020 139 2PX -0.01577 -0.00104 0.00453 0.00865 0.00021 140 2PY 0.00789 -0.00268 0.00141 -0.00227 -0.00035 141 2PZ 0.01037 -0.00059 -0.00641 0.00421 -0.00101 142 3S 0.00771 0.00509 -0.00322 -0.00671 0.00069 143 3PX -0.00049 0.00104 -0.00155 0.00251 -0.00030 144 3PY -0.00407 -0.00170 0.00207 0.00056 0.00023 145 3PZ -0.00685 -0.00525 0.00533 0.00993 -0.00113 146 4XX -0.00398 -0.00129 0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 -0.00301 -0.00210 -0.00004 149 4XY 0.00072 0.00172 -0.00061 -0.00133 -0.00015 150 4XZ 0.00050 -0.00014 0.00009 -0.00040 -0.00006 151 4YZ -0.00382 -0.00104 0.00135 0.00158 0.00024 152 18 H 1S -0.01940 -0.02450 0.00643 0.01187 0.00237 153 2S -0.02510 -0.02492 0.01126 0.01827 0.00128 154 19 H 1S 0.02158 0.00373 -0.01273 -0.00671 -0.00017 155 2S 0.03436 0.00894 -0.02261 -0.01664 0.00052 156 20 H 1S 0.00326 0.01990 0.00386 -0.01165 -0.00039 157 2S 0.00516 0.02251 0.00369 -0.01651 -0.00119 158 21 O 1S 0.00478 0.00034 -0.00292 -0.00037 0.00005 159 2S -0.01174 0.00062 0.00710 -0.00261 0.00009 160 2PX 0.01339 -0.00598 -0.01718 0.00465 0.00284 161 2PY -0.01504 0.01028 0.00351 -0.00627 0.00057 162 2PZ -0.00940 -0.00676 0.01291 0.01134 -0.00300 163 3S -0.02205 -0.00577 0.01075 0.01418 -0.00127 164 3PX 0.00989 -0.00764 -0.01268 0.00164 0.00285 165 3PY -0.01203 0.00555 0.00296 -0.00118 0.00037 166 3PZ -0.00810 -0.00206 0.01200 0.00637 -0.00270 167 4XX -0.00027 -0.00061 -0.00014 -0.00022 0.00027 168 4YY -0.00009 0.00059 0.00005 -0.00109 0.00006 169 4ZZ 0.00112 0.00155 -0.00034 -0.00116 -0.00011 170 4XY 0.00078 0.00003 -0.00066 -0.00012 0.00012 171 4XZ -0.00042 0.00039 0.00024 -0.00009 -0.00002 172 4YZ 0.00012 0.00021 0.00012 -0.00030 0.00002 173 22 O 1S -0.00072 -0.00230 0.00275 -0.00410 0.00035 174 2S 0.00713 0.00370 -0.00818 0.00911 -0.00046 175 2PX 0.06014 0.03304 -0.03525 -0.03603 -0.00293 176 2PY -0.03805 0.01207 0.00553 0.01762 0.00032 177 2PZ -0.09377 -0.02384 0.05511 0.04421 0.00201 178 3S 0.00112 0.00864 -0.00729 0.00832 -0.00246 179 3PX 0.04692 0.02864 -0.02789 -0.02875 -0.00148 180 3PY -0.02464 0.00708 0.00345 0.01326 0.00033 181 3PZ -0.06964 -0.02555 0.04139 0.04032 0.00128 182 4XX -0.00102 0.00166 0.00027 -0.00089 0.00033 183 4YY 0.00234 -0.00115 -0.00011 -0.00071 -0.00001 184 4ZZ 0.00015 -0.00189 -0.00023 0.00145 -0.00001 185 4XY -0.00189 -0.00172 0.00110 0.00119 0.00010 186 4XZ 0.00061 -0.00060 -0.00050 0.00008 -0.00002 187 4YZ 0.00343 0.00027 -0.00176 -0.00116 -0.00021 188 23 H 1S -0.01834 -0.00436 0.01006 0.00827 0.00012 189 2S -0.02969 -0.00958 0.01784 0.01473 -0.00027 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00073 0.00145 43 4XY 0.00013 -0.00035 0.00042 44 4XZ -0.00039 0.00006 0.00009 0.00069 45 4YZ -0.00011 -0.00004 0.00027 0.00008 0.00065 46 4 C 1S 0.00168 -0.00512 0.00133 -0.00200 0.00340 47 2S -0.00346 0.00885 -0.00249 0.00368 -0.00664 48 2PX 0.00096 -0.00570 -0.00081 0.00911 0.00319 49 2PY -0.00950 0.00773 0.00065 0.00272 0.00439 50 2PZ 0.00364 0.00068 0.00406 -0.00358 0.00854 51 3S -0.00684 0.01172 -0.00382 0.00373 -0.00655 52 3PX 0.00064 -0.00266 -0.00044 0.00421 0.00139 53 3PY -0.00362 0.00391 -0.00012 0.00107 0.00182 54 3PZ 0.00256 -0.00033 0.00239 -0.00117 0.00426 55 4XX -0.00029 0.00004 0.00017 0.00026 0.00039 56 4YY 0.00085 -0.00055 -0.00004 -0.00019 -0.00020 57 4ZZ -0.00039 0.00029 0.00001 -0.00011 0.00009 58 4XY -0.00005 -0.00009 -0.00006 0.00038 0.00013 59 4XZ -0.00016 -0.00052 0.00012 0.00062 -0.00011 60 4YZ -0.00031 0.00033 0.00008 -0.00002 0.00031 61 5 C 1S -0.00148 0.00048 0.00034 0.00008 0.00110 62 2S 0.00319 -0.00116 -0.00074 -0.00025 -0.00199 63 2PX -0.00054 0.00019 -0.00001 -0.00082 0.00032 64 2PY 0.00818 -0.00393 -0.00173 -0.00099 -0.00724 65 2PZ -0.00101 0.00006 0.00056 -0.00056 0.00107 66 3S 0.00541 -0.00338 -0.00077 -0.00033 -0.00250 67 3PX -0.00059 0.00022 -0.00018 -0.00058 0.00018 68 3PY 0.00566 -0.00313 -0.00045 -0.00110 -0.00318 69 3PZ 0.00002 -0.00023 0.00014 -0.00060 0.00055 70 4XX -0.00023 0.00006 0.00006 -0.00005 0.00021 71 4YY 0.00009 0.00022 -0.00008 0.00008 -0.00034 72 4ZZ -0.00009 -0.00005 0.00001 0.00003 0.00021 73 4XY 0.00003 -0.00017 -0.00002 0.00028 0.00007 74 4XZ -0.00003 0.00008 0.00002 0.00001 -0.00004 75 4YZ 0.00020 -0.00002 0.00012 -0.00009 0.00018 76 6 C 1S -0.00084 -0.00046 0.00044 0.00005 -0.00001 77 2S 0.00068 0.00014 -0.00070 0.00038 0.00004 78 2PX 0.00196 -0.00232 0.00076 0.00001 0.00161 79 2PY 0.00122 -0.00074 -0.00097 0.00024 0.00042 80 2PZ -0.00053 0.00066 0.00146 0.00002 0.00128 81 3S 0.00050 0.00055 -0.00203 -0.00018 -0.00050 82 3PX 0.00168 -0.00204 0.00098 -0.00004 0.00116 83 3PY -0.00039 0.00018 -0.00099 -0.00026 0.00007 84 3PZ -0.00021 0.00145 0.00105 -0.00010 0.00136 85 4XX -0.00016 -0.00017 -0.00001 -0.00018 -0.00007 86 4YY 0.00037 -0.00008 0.00015 -0.00005 -0.00004 87 4ZZ -0.00008 0.00018 -0.00005 0.00012 0.00014 88 4XY -0.00015 0.00005 -0.00013 0.00004 -0.00005 89 4XZ -0.00005 0.00012 -0.00004 0.00005 0.00000 90 4YZ 0.00004 -0.00014 -0.00005 0.00000 -0.00025 91 7 H 1S -0.00257 0.00002 -0.00085 0.00030 -0.00058 92 2S -0.00387 -0.00050 -0.00037 0.00117 -0.00017 93 8 H 1S -0.00535 0.00632 -0.00350 0.00387 -0.00211 94 2S -0.00515 0.00695 -0.00520 0.00176 -0.00393 95 9 H 1S 0.01671 -0.00993 0.00155 -0.00194 -0.00169 96 2S 0.01588 -0.00874 0.00135 -0.00309 -0.00104 97 10 H 1S -0.00287 0.00116 0.00002 0.00707 0.00220 98 2S -0.00199 -0.00220 0.00147 0.00575 0.00328 99 11 H 1S -0.00155 0.00123 0.00019 -0.00082 0.00098 100 2S -0.00211 0.00239 0.00041 -0.00093 0.00075 101 12 H 1S 0.00086 -0.00008 0.00059 -0.00022 -0.00041 102 2S 0.00150 -0.00030 0.00078 -0.00062 -0.00057 103 13 H 1S -0.00100 -0.00013 0.00010 0.00069 0.00105 104 2S -0.00204 -0.00038 -0.00006 0.00099 0.00117 105 14 H 1S -0.00242 0.00811 0.00106 -0.00401 0.00144 106 2S -0.00166 0.00535 0.00102 -0.00503 0.00280 107 15 C 1S -0.00011 0.00057 0.00027 0.00026 -0.00015 108 2S 0.00040 -0.00090 -0.00041 -0.00034 0.00011 109 2PX 0.00097 0.00319 0.00142 0.00302 -0.00055 110 2PY 0.00126 0.00002 -0.00056 0.00109 0.00046 111 2PZ -0.00060 -0.00255 -0.00099 -0.00228 0.00052 112 3S 0.00159 -0.00306 -0.00029 -0.00172 0.00055 113 3PX 0.00070 0.00203 0.00087 0.00155 -0.00013 114 3PY 0.00134 0.00063 0.00000 0.00055 0.00041 115 3PZ -0.00045 -0.00256 -0.00032 -0.00176 0.00045 116 4XX -0.00003 -0.00003 0.00001 -0.00002 0.00004 117 4YY 0.00000 -0.00004 -0.00001 -0.00003 0.00001 118 4ZZ 0.00000 0.00012 0.00007 0.00008 -0.00007 119 4XY 0.00013 -0.00002 0.00010 0.00023 -0.00004 120 4XZ -0.00001 0.00009 0.00005 -0.00002 0.00000 121 4YZ -0.00009 -0.00009 -0.00009 -0.00015 0.00003 122 16 C 1S 0.00012 -0.00031 0.00016 0.00082 -0.00007 123 2S -0.00134 -0.00051 -0.00064 -0.00233 0.00042 124 2PX 0.00229 0.00005 0.00256 0.00541 -0.00117 125 2PY -0.00230 0.00012 0.00041 -0.00262 -0.00042 126 2PZ -0.00079 -0.00138 -0.00185 -0.00200 0.00099 127 3S -0.00364 -0.00023 -0.00142 -0.00285 -0.00038 128 3PX 0.00184 -0.00015 0.00135 0.00369 -0.00132 129 3PY 0.00001 -0.00089 0.00003 -0.00203 0.00012 130 3PZ -0.00113 -0.00026 -0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 0.00002 0.00022 0.00008 132 4YY 0.00015 -0.00007 -0.00001 -0.00004 -0.00001 133 4ZZ -0.00003 0.00003 0.00004 -0.00003 -0.00010 134 4XY -0.00013 -0.00018 -0.00002 -0.00006 -0.00001 135 4XZ -0.00003 -0.00010 0.00009 -0.00003 0.00000 136 4YZ 0.00015 0.00011 0.00003 0.00023 -0.00001 137 17 C 1S 0.00013 0.00003 0.00003 0.00016 0.00007 138 2S -0.00018 0.00009 0.00003 -0.00059 -0.00011 139 2PX 0.00006 -0.00010 -0.00012 0.00040 0.00005 140 2PY 0.00002 0.00026 -0.00017 -0.00029 -0.00002 141 2PZ 0.00037 0.00014 0.00013 0.00018 -0.00016 142 3S -0.00020 -0.00002 -0.00016 -0.00113 -0.00013 143 3PX -0.00012 0.00010 -0.00009 0.00002 0.00009 144 3PY -0.00008 0.00009 -0.00006 -0.00014 0.00004 145 3PZ 0.00041 0.00050 0.00026 0.00024 -0.00028 146 4XX 0.00002 0.00004 0.00004 0.00007 -0.00002 147 4YY 0.00002 0.00002 -0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 -0.00001 0.00000 0.00001 149 4XY 0.00002 0.00010 0.00001 0.00004 -0.00001 150 4XZ 0.00002 0.00001 0.00002 0.00002 0.00000 151 4YZ -0.00002 -0.00009 0.00000 -0.00009 0.00001 152 18 H 1S -0.00130 0.00016 0.00041 -0.00177 -0.00041 153 2S -0.00061 0.00053 0.00025 -0.00071 -0.00067 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 0.00002 155 2S -0.00042 -0.00084 -0.00028 -0.00005 0.00029 156 20 H 1S -0.00023 0.00048 0.00024 0.00001 -0.00028 157 2S -0.00023 0.00102 0.00025 0.00013 -0.00010 158 21 O 1S -0.00013 -0.00024 -0.00001 -0.00001 0.00001 159 2S 0.00025 0.00047 0.00007 -0.00013 0.00003 160 2PX -0.00074 -0.00252 -0.00087 -0.00149 0.00036 161 2PY -0.00051 0.00016 0.00024 -0.00050 0.00001 162 2PZ 0.00126 0.00186 0.00054 0.00179 -0.00037 163 3S 0.00029 0.00151 -0.00019 0.00050 -0.00001 164 3PX -0.00057 -0.00228 -0.00059 -0.00134 0.00031 165 3PY -0.00046 0.00020 0.00018 -0.00030 -0.00001 166 3PZ 0.00102 0.00155 0.00056 0.00155 -0.00033 167 4XX -0.00002 -0.00012 -0.00002 -0.00009 0.00000 168 4YY -0.00002 -0.00004 0.00003 -0.00004 0.00001 169 4ZZ -0.00001 0.00003 0.00002 0.00003 -0.00001 170 4XY -0.00005 -0.00008 -0.00001 -0.00007 0.00001 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 0.00004 0.00001 -0.00002 -0.00002 173 22 O 1S 0.00017 0.00016 -0.00005 -0.00011 0.00000 174 2S -0.00051 -0.00055 0.00017 0.00025 -0.00013 175 2PX 0.00016 0.00088 -0.00094 0.00017 0.00009 176 2PY 0.00000 0.00000 -0.00031 -0.00046 -0.00005 177 2PZ 0.00057 0.00045 -0.00014 -0.00175 -0.00007 178 3S 0.00010 0.00027 0.00047 0.00070 0.00070 179 3PX -0.00019 0.00035 -0.00083 -0.00011 -0.00009 180 3PY -0.00005 -0.00008 -0.00030 -0.00019 -0.00017 181 3PZ 0.00055 0.00015 0.00014 -0.00076 -0.00036 182 4XX -0.00011 -0.00007 -0.00008 -0.00020 -0.00001 183 4YY 0.00002 -0.00005 0.00002 0.00001 -0.00004 184 4ZZ -0.00003 -0.00002 0.00004 0.00007 -0.00006 185 4XY 0.00001 -0.00005 0.00003 0.00002 0.00002 186 4XZ -0.00003 0.00000 0.00003 -0.00005 0.00000 187 4YZ 0.00004 0.00000 0.00003 0.00017 0.00002 188 23 H 1S 0.00009 0.00020 0.00012 0.00031 -0.00004 189 2S 0.00042 0.00041 0.00035 0.00087 -0.00012 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX -0.00090 0.00094 0.41187 49 2PY -0.00199 0.00122 0.00499 0.38124 50 2PZ -0.00339 0.00249 -0.00313 0.00574 0.38896 51 3S -0.18587 0.27976 -0.00647 -0.00793 -0.02478 52 3PX -0.00226 0.00385 0.18595 0.00355 0.00071 53 3PY 0.00044 0.00253 -0.00076 0.17352 0.00966 54 3PZ -0.00163 0.00937 0.00744 0.00608 0.17988 55 4XX -0.01787 0.00019 0.01072 0.01029 0.01115 56 4YY -0.01551 -0.00514 0.00056 -0.01508 -0.00103 57 4ZZ -0.01630 -0.00351 -0.01053 0.00819 -0.00580 58 4XY -0.00056 0.00106 0.01581 0.00029 -0.00039 59 4XZ 0.00050 -0.00110 0.01494 0.00053 -0.01187 60 4YZ -0.00140 0.00268 0.00003 0.00068 0.01284 61 5 C 1S 0.01015 -0.01941 0.00027 0.06233 0.00369 62 2S -0.01941 0.03034 -0.00112 -0.12841 -0.00769 63 2PX 0.00027 -0.00112 -0.00075 -0.00197 0.00493 64 2PY -0.06234 0.12842 0.00197 -0.31488 -0.00214 65 2PZ 0.00368 -0.00767 0.00493 0.00209 0.00695 66 3S 0.00627 0.00956 0.00446 -0.12580 -0.00425 67 3PX 0.00051 -0.00149 -0.00514 -0.00285 -0.00109 68 3PY -0.01397 0.04158 0.00013 -0.14639 0.01478 69 3PZ 0.00321 -0.00962 -0.00073 -0.00209 -0.00677 70 4XX 0.00206 -0.00506 -0.00024 0.00708 0.00043 71 4YY -0.00682 0.01180 -0.00037 -0.00827 0.00046 72 4ZZ 0.00208 -0.00477 0.00063 0.00813 0.00082 73 4XY 0.00001 -0.00002 0.01155 0.00033 -0.00029 74 4XZ -0.00011 0.00018 -0.00063 0.00060 0.00059 75 4YZ -0.00032 0.00030 -0.00043 0.00007 0.01048 76 6 C 1S -0.00202 0.00459 -0.00180 -0.01024 -0.00336 77 2S 0.00420 -0.00918 0.00337 0.02611 0.01375 78 2PX 0.00310 -0.00431 0.00565 0.00236 0.00369 79 2PY 0.00914 -0.01813 0.00361 0.03528 0.00755 80 2PZ 0.00490 -0.01663 0.00160 0.03068 0.02388 81 3S 0.00385 -0.00945 0.01292 0.02808 -0.00622 82 3PX 0.00368 -0.00480 -0.00201 0.00942 0.01452 83 3PY 0.00396 -0.00899 0.00015 0.01240 -0.02514 84 3PZ 0.00182 -0.00699 -0.00415 0.02231 0.02493 85 4XX 0.00030 -0.00104 0.00016 0.00101 0.00235 86 4YY -0.00148 0.00319 -0.00054 -0.00818 -0.00101 87 4ZZ 0.00048 -0.00116 0.00018 0.00392 0.00006 88 4XY -0.00034 0.00074 0.00001 -0.00173 -0.00056 89 4XZ 0.00008 -0.00025 -0.00082 0.00099 -0.00056 90 4YZ -0.00110 0.00199 -0.00032 -0.00724 -0.00107 91 7 H 1S -0.00090 0.00147 0.00009 -0.00103 -0.00298 92 2S -0.00047 -0.00004 0.00382 -0.00098 0.00410 93 8 H 1S -0.00710 0.01561 -0.01137 0.01107 -0.03375 94 2S -0.00909 0.02150 -0.02682 0.01593 -0.06649 95 9 H 1S 0.01166 -0.02374 0.00668 -0.03133 0.03239 96 2S 0.01409 -0.02635 0.01508 -0.05916 0.06668 97 10 H 1S -0.05306 0.10305 0.24407 0.09284 0.06748 98 2S -0.00470 0.02007 0.21325 0.07583 0.05574 99 11 H 1S 0.00761 -0.01999 -0.02272 0.02939 -0.00277 100 2S 0.00792 -0.01756 -0.04407 0.05181 -0.00222 101 12 H 1S -0.00717 0.01458 -0.00151 -0.03618 -0.00435 102 2S -0.00907 0.01876 -0.00485 -0.06045 -0.01995 103 13 H 1S 0.00840 -0.02009 0.01884 0.02735 -0.01614 104 2S 0.01010 -0.02085 0.03501 0.05263 -0.02228 105 14 H 1S -0.05287 0.10196 -0.18022 0.08044 0.17922 106 2S -0.00700 0.02105 -0.16491 0.06621 0.15936 107 15 C 1S -0.00135 0.00331 0.00010 -0.00131 -0.00447 108 2S 0.00251 -0.00446 -0.00034 0.00181 0.00621 109 2PX -0.00749 0.01643 -0.00553 -0.00835 -0.02316 110 2PY -0.00026 0.00226 -0.00294 -0.00296 0.00041 111 2PZ 0.00676 -0.01383 0.00339 0.00670 0.01780 112 3S 0.00525 -0.02179 -0.00053 0.00380 0.04389 113 3PX -0.00501 0.00780 -0.01195 -0.01242 -0.01016 114 3PY -0.00098 -0.00160 -0.00919 -0.00419 0.00923 115 3PZ 0.00473 -0.01516 0.00205 0.00047 0.02307 116 4XX 0.00003 0.00002 -0.00010 0.00020 -0.00037 117 4YY -0.00008 0.00002 -0.00039 -0.00053 0.00052 118 4ZZ -0.00049 0.00104 0.00049 -0.00051 -0.00123 119 4XY -0.00020 0.00069 0.00069 0.00008 -0.00080 120 4XZ 0.00000 -0.00019 -0.00064 -0.00001 0.00047 121 4YZ 0.00011 -0.00086 -0.00045 -0.00028 0.00108 122 16 C 1S -0.00160 0.00237 0.00275 -0.00037 -0.00219 123 2S 0.00232 -0.00724 -0.00839 -0.00112 0.01167 124 2PX -0.00601 0.01600 0.01449 -0.00147 -0.01969 125 2PY 0.00138 -0.00410 -0.00285 0.00184 0.00129 126 2PZ 0.00522 -0.01807 -0.01389 -0.00170 0.01865 127 3S 0.00606 -0.00124 -0.00167 0.00813 -0.01872 128 3PX -0.00470 0.01725 0.02393 -0.00042 -0.03174 129 3PY 0.00098 -0.01047 -0.00749 -0.00131 0.02065 130 3PZ 0.00664 -0.00698 -0.00779 0.00013 0.00120 131 4XX -0.00063 0.00056 0.00092 -0.00003 -0.00036 132 4YY 0.00003 -0.00028 -0.00017 -0.00039 0.00086 133 4ZZ -0.00062 0.00051 0.00050 -0.00048 -0.00154 134 4XY 0.00037 -0.00055 0.00007 0.00037 0.00068 135 4XZ 0.00066 -0.00101 -0.00114 -0.00007 0.00209 136 4YZ -0.00023 0.00046 -0.00049 -0.00025 -0.00104 137 17 C 1S -0.00065 0.00137 0.00329 0.00005 0.00042 138 2S 0.00156 -0.00373 -0.00908 0.00032 -0.00083 139 2PX -0.00190 0.00417 0.00788 -0.00096 0.00238 140 2PY -0.00001 -0.00041 -0.00185 0.00005 -0.00246 141 2PZ 0.00281 -0.00423 -0.01835 -0.00433 -0.00496 142 3S 0.00356 -0.00478 -0.01119 -0.00019 -0.00241 143 3PX 0.00052 -0.00167 -0.00734 0.00476 0.00093 144 3PY -0.00086 0.00110 0.00496 0.00071 -0.00067 145 3PZ 0.00190 -0.00207 -0.01921 -0.00414 -0.00710 146 4XX -0.00032 0.00025 0.00064 -0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 -0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 0.00035 -0.00005 149 4XY -0.00015 0.00060 0.00009 0.00014 -0.00029 150 4XZ 0.00001 -0.00004 -0.00050 -0.00006 0.00002 151 4YZ 0.00031 -0.00062 -0.00027 -0.00019 0.00046 152 18 H 1S 0.00045 0.00109 0.00160 0.00109 -0.00103 153 2S 0.00048 0.00573 0.00505 -0.00098 -0.00801 154 19 H 1S 0.00270 -0.00473 -0.00805 0.00102 -0.00060 155 2S -0.00010 -0.00130 0.01067 0.00202 0.00672 156 20 H 1S -0.00132 0.00099 -0.00111 -0.00171 -0.00124 157 2S -0.00232 0.00125 -0.00626 -0.00757 -0.00090 158 21 O 1S 0.00035 -0.00090 -0.00001 0.00021 0.00074 159 2S -0.00036 0.00121 0.00059 -0.00149 -0.00001 160 2PX 0.00404 -0.00894 0.00208 -0.00085 0.00992 161 2PY 0.00108 -0.00204 -0.00350 0.00314 0.00004 162 2PZ -0.00486 0.01105 0.00420 -0.00132 -0.00776 163 3S -0.00302 0.00783 -0.00133 0.00365 -0.01229 164 3PX 0.00391 -0.00956 0.00212 -0.00074 0.01197 165 3PY 0.00036 -0.00119 -0.00402 0.00359 -0.00176 166 3PZ -0.00479 0.00936 0.00351 -0.00254 -0.00680 167 4XX 0.00039 -0.00038 0.00086 -0.00007 0.00102 168 4YY 0.00020 -0.00039 -0.00015 -0.00010 0.00069 169 4ZZ 0.00013 0.00006 -0.00014 -0.00042 -0.00005 170 4XY 0.00012 -0.00032 0.00017 0.00007 0.00049 171 4XZ -0.00004 0.00003 -0.00017 -0.00007 -0.00004 172 4YZ -0.00012 0.00006 -0.00007 -0.00019 0.00002 173 22 O 1S -0.00055 0.00098 0.00448 0.00124 -0.00164 174 2S 0.00228 -0.00251 -0.00961 -0.00340 0.00099 175 2PX -0.00379 0.01216 0.01821 0.00614 -0.00593 176 2PY 0.00114 0.00118 -0.00505 -0.00451 -0.00074 177 2PZ 0.00311 -0.00876 -0.02211 -0.00844 -0.00282 178 3S -0.00116 -0.00487 -0.02702 -0.00435 0.01800 179 3PX -0.00096 0.00699 0.01208 0.00447 -0.00653 180 3PY 0.00086 0.00248 0.00199 -0.00334 -0.00534 181 3PZ 0.00116 -0.00346 -0.01266 -0.00584 -0.00685 182 4XX 0.00046 -0.00072 -0.00018 -0.00039 0.00000 183 4YY 0.00040 -0.00042 -0.00023 0.00003 -0.00064 184 4ZZ 0.00021 0.00056 0.00142 0.00010 -0.00159 185 4XY 0.00008 -0.00060 -0.00078 -0.00045 0.00066 186 4XZ 0.00030 -0.00048 -0.00179 -0.00033 0.00045 187 4YZ -0.00031 0.00067 0.00146 0.00046 0.00005 188 23 H 1S -0.00148 0.00243 0.00374 -0.00104 0.00045 189 2S -0.00291 0.00564 0.00935 -0.00523 -0.00186 51 52 53 54 55 51 3S 0.30210 52 3PX -0.00137 0.08585 53 3PY -0.00729 0.00186 0.08588 54 3PZ -0.00699 0.00654 0.00766 0.09074 55 4XX -0.00035 0.00492 0.00456 0.00529 0.00113 56 4YY -0.00513 0.00020 -0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 -0.00477 0.00318 -0.00238 -0.00017 58 4XY 0.00117 0.00724 -0.00004 0.00023 0.00040 59 4XZ -0.00235 0.00665 -0.00025 -0.00508 0.00023 60 4YZ 0.00250 0.00017 0.00091 0.00612 0.00042 61 5 C 1S 0.00627 0.00051 0.01397 0.00321 0.00206 62 2S 0.00956 -0.00149 -0.04158 -0.00963 -0.00506 63 2PX 0.00447 -0.00514 -0.00013 -0.00073 -0.00024 64 2PY 0.12580 0.00285 -0.14639 0.00207 -0.00708 65 2PZ -0.00423 -0.00109 -0.01480 -0.00677 0.00043 66 3S -0.03255 0.00253 -0.03364 -0.00816 -0.00420 67 3PX 0.00253 -0.00533 -0.00180 -0.00276 -0.00048 68 3PY 0.03364 0.00180 -0.06475 0.00906 -0.00296 69 3PZ -0.00815 -0.00276 -0.00907 -0.00863 -0.00045 70 4XX -0.00420 -0.00048 0.00296 -0.00045 0.00013 71 4YY 0.01297 -0.00018 -0.00461 0.00072 -0.00014 72 4ZZ -0.00656 0.00073 0.00444 0.00072 0.00028 73 4XY 0.00016 0.00535 -0.00021 0.00024 0.00031 74 4XZ 0.00163 -0.00063 0.00052 0.00016 -0.00004 75 4YZ 0.00039 -0.00012 0.00009 0.00526 0.00030 76 6 C 1S -0.00082 0.00044 -0.00685 0.00016 -0.00043 77 2S -0.01381 0.00408 0.01928 0.00716 0.00105 78 2PX -0.04769 0.00897 0.00922 0.01326 0.00160 79 2PY -0.07650 0.00860 0.05188 0.00333 0.00085 80 2PZ 0.00218 -0.00185 0.01857 0.01589 -0.00003 81 3S -0.01020 0.00771 0.01837 -0.00339 0.00059 82 3PX -0.04237 0.00407 0.01155 0.01371 0.00185 83 3PY -0.02365 0.00201 0.01565 -0.01143 -0.00079 84 3PZ 0.01383 -0.00494 0.00894 0.01345 -0.00002 85 4XX -0.00084 0.00010 0.00038 0.00078 0.00012 86 4YY 0.00541 -0.00059 -0.00566 0.00002 -0.00023 87 4ZZ -0.00338 0.00022 0.00313 -0.00023 0.00006 88 4XY 0.00077 0.00018 -0.00045 -0.00014 -0.00006 89 4XZ -0.00033 -0.00058 0.00110 -0.00060 -0.00005 90 4YZ 0.00250 -0.00018 -0.00318 -0.00055 -0.00021 91 7 H 1S 0.00354 0.00130 0.00023 -0.00070 0.00044 92 2S -0.00168 0.00383 0.00067 0.00421 0.00114 93 8 H 1S 0.04177 -0.00462 0.01304 -0.02990 -0.00119 94 2S 0.05147 -0.01221 0.01570 -0.04622 -0.00276 95 9 H 1S -0.06426 0.00613 -0.00754 0.02545 -0.00156 96 2S -0.06879 0.00961 -0.01769 0.03802 -0.00043 97 10 H 1S 0.08095 0.11188 0.04140 0.03912 0.01149 98 2S -0.00680 0.09433 0.02999 0.02564 0.01044 99 11 H 1S -0.01940 -0.01473 0.01812 -0.00845 -0.00095 100 2S -0.00379 -0.02328 0.02464 -0.00581 -0.00070 101 12 H 1S 0.04598 -0.00396 -0.03698 -0.00020 -0.00081 102 2S 0.05206 -0.00610 -0.04915 -0.00659 -0.00228 103 13 H 1S -0.03336 0.00937 0.01272 -0.01224 0.00039 104 2S -0.03229 0.01823 0.02122 -0.01141 0.00188 105 14 H 1S 0.09108 -0.07906 0.04179 0.08297 0.00243 106 2S 0.01901 -0.07320 0.03399 0.07123 0.00131 107 15 C 1S 0.00485 -0.00199 0.00085 -0.00127 -0.00017 108 2S -0.00903 0.00102 -0.00100 0.00195 0.00043 109 2PX 0.04192 -0.01623 -0.00750 -0.01813 -0.00142 110 2PY -0.00883 -0.00246 -0.00146 0.00012 0.00011 111 2PZ -0.03613 0.00601 0.01048 0.01475 0.00137 112 3S -0.04200 0.00318 0.00214 0.02033 0.00139 113 3PX 0.02839 -0.01262 -0.00969 -0.00941 -0.00147 114 3PY -0.00535 -0.00702 -0.00077 0.00151 -0.00037 115 3PZ -0.03138 0.00618 0.00395 0.01530 0.00129 116 4XX -0.00109 -0.00048 0.00025 -0.00021 0.00000 117 4YY 0.00032 0.00016 -0.00050 0.00046 0.00000 118 4ZZ 0.00204 0.00013 -0.00008 -0.00077 -0.00004 119 4XY 0.00000 0.00060 0.00040 -0.00015 0.00007 120 4XZ 0.00124 -0.00079 -0.00020 -0.00018 -0.00003 121 4YZ 0.00020 0.00027 -0.00075 0.00029 -0.00007 122 16 C 1S 0.00255 0.00447 -0.00152 -0.00310 -0.00041 123 2S -0.00748 -0.00430 -0.00070 0.00600 0.00046 124 2PX 0.01136 0.01166 0.00823 -0.00175 0.00106 125 2PY 0.00173 -0.00523 0.00237 -0.00097 0.00006 126 2PZ -0.00089 0.00415 -0.00977 0.00681 -0.00135 127 3S 0.00821 -0.00074 0.00022 -0.00599 0.00009 128 3PX 0.00615 0.01151 0.00630 -0.01038 0.00074 129 3PY -0.01295 -0.00524 -0.00020 0.00826 0.00012 130 3PZ 0.00619 -0.00038 -0.00482 -0.00124 -0.00115 131 4XX 0.00265 0.00163 0.00103 0.00221 -0.00015 132 4YY -0.00173 -0.00055 -0.00030 -0.00003 0.00004 133 4ZZ 0.00032 -0.00056 -0.00096 -0.00250 0.00005 134 4XY -0.00252 0.00074 0.00040 0.00077 0.00009 135 4XZ -0.00127 -0.00019 -0.00011 0.00054 0.00012 136 4YZ 0.00140 -0.00029 -0.00086 -0.00121 -0.00013 137 17 C 1S 0.00215 0.00092 0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00275 -0.00100 0.00004 -0.00013 139 2PX 0.00324 0.00254 0.00028 -0.00164 -0.00008 140 2PY 0.00568 -0.00021 -0.00102 -0.00025 -0.00010 141 2PZ -0.01753 -0.00968 -0.00548 0.00069 -0.00011 142 3S -0.00295 -0.00371 -0.00052 0.00040 -0.00031 143 3PX -0.00221 -0.00299 0.00296 0.00092 -0.00023 144 3PY 0.00041 -0.00015 -0.00061 -0.00171 0.00022 145 3PZ -0.00572 -0.01057 -0.00459 -0.00645 -0.00043 146 4XX 0.00118 -0.00002 -0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 -0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 0.00068 0.00184 -0.00001 149 4XY 0.00087 0.00002 0.00095 0.00079 -0.00006 150 4XZ 0.00079 -0.00006 0.00017 0.00014 -0.00002 151 4YZ -0.00190 -0.00109 -0.00100 -0.00153 0.00005 152 18 H 1S -0.00629 -0.00653 0.00366 -0.00270 0.00098 153 2S -0.00090 -0.00371 0.00288 -0.00756 0.00068 154 19 H 1S -0.01212 -0.00232 -0.00035 0.00659 0.00011 155 2S -0.00944 0.00804 0.00285 0.01557 0.00053 156 20 H 1S 0.01424 0.00070 -0.00473 -0.00305 -0.00050 157 2S 0.01824 -0.00230 -0.00674 -0.00338 -0.00091 158 21 O 1S -0.00140 0.00066 0.00032 0.00120 0.00004 159 2S 0.00520 -0.00116 -0.00170 -0.00313 -0.00018 160 2PX -0.02579 0.00457 -0.00796 0.00206 0.00035 161 2PY -0.00375 -0.01138 0.00147 -0.00662 -0.00002 162 2PZ 0.01643 0.00984 0.00790 0.00189 -0.00015 163 3S 0.00764 -0.00274 0.00055 -0.01043 -0.00035 164 3PX -0.02367 0.00319 -0.00614 0.00362 0.00055 165 3PY -0.00329 -0.00885 0.00121 -0.00583 0.00000 166 3PZ 0.01702 0.00549 0.00421 -0.00022 -0.00026 167 4XX -0.00092 0.00070 0.00017 0.00061 0.00007 168 4YY -0.00005 -0.00042 -0.00011 0.00010 0.00001 169 4ZZ 0.00064 -0.00017 -0.00046 0.00006 -0.00005 170 4XY -0.00066 0.00030 -0.00028 0.00015 0.00001 171 4XZ 0.00026 -0.00021 -0.00025 -0.00019 -0.00001 172 4YZ 0.00011 0.00039 0.00016 0.00026 0.00000 173 22 O 1S 0.00837 0.00231 0.00265 0.00095 0.00014 174 2S -0.01855 -0.00415 -0.00504 -0.00118 -0.00029 175 2PX 0.01250 0.01346 0.01906 0.02776 -0.00092 176 2PY -0.03111 -0.01810 -0.00894 -0.01363 -0.00024 177 2PZ -0.02062 -0.03044 -0.03007 -0.04820 0.00025 178 3S -0.02748 -0.01421 -0.00734 0.00314 -0.00059 179 3PX 0.00875 0.01046 0.01350 0.01960 -0.00078 180 3PY -0.01881 -0.00959 -0.00611 -0.01099 -0.00013 181 3PZ -0.01344 -0.01984 -0.02006 -0.03601 0.00032 182 4XX -0.00045 -0.00034 -0.00079 -0.00089 -0.00003 183 4YY 0.00149 0.00081 0.00051 0.00054 -0.00002 184 4ZZ -0.00030 0.00048 0.00047 -0.00017 0.00005 185 4XY -0.00034 -0.00029 -0.00084 -0.00070 0.00005 186 4XZ -0.00070 -0.00073 0.00010 0.00054 -0.00003 187 4YZ 0.00142 0.00148 0.00138 0.00194 0.00000 188 23 H 1S 0.00559 0.00051 -0.00112 -0.00515 0.00001 189 2S 0.00914 0.00123 -0.00425 -0.01008 0.00014 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY -0.00003 -0.00038 0.00096 59 4XZ 0.00007 -0.00033 0.00054 0.00130 60 4YZ -0.00025 -0.00018 0.00004 -0.00042 0.00091 61 5 C 1S -0.00682 0.00208 -0.00001 -0.00011 0.00032 62 2S 0.01180 -0.00477 0.00002 0.00018 -0.00030 63 2PX -0.00037 0.00063 -0.01155 -0.00064 0.00043 64 2PY 0.00827 -0.00813 0.00033 -0.00060 0.00007 65 2PZ 0.00046 0.00082 0.00029 0.00059 -0.01048 66 3S 0.01297 -0.00656 -0.00016 0.00163 -0.00038 67 3PX -0.00018 0.00073 -0.00535 -0.00063 0.00012 68 3PY 0.00461 -0.00444 -0.00021 -0.00052 0.00009 69 3PZ 0.00072 0.00072 -0.00024 0.00015 -0.00526 70 4XX -0.00014 0.00028 -0.00031 -0.00004 -0.00030 71 4YY -0.00006 -0.00018 0.00002 -0.00013 0.00010 72 4ZZ -0.00018 0.00010 0.00028 0.00008 0.00016 73 4XY -0.00002 -0.00028 0.00089 0.00042 -0.00003 74 4XZ -0.00013 0.00008 -0.00042 -0.00011 0.00036 75 4YZ -0.00010 -0.00016 -0.00003 -0.00036 0.00065 76 6 C 1S -0.00057 0.00018 -0.00034 -0.00007 -0.00151 77 2S 0.00088 -0.00091 0.00060 0.00013 0.00341 78 2PX 0.00257 -0.00295 -0.00054 0.00227 0.00257 79 2PY 0.00192 -0.00150 0.00070 0.00068 0.00453 80 2PZ 0.00053 0.00092 0.00295 -0.00232 0.00723 81 3S 0.00051 -0.00049 0.00114 -0.00027 0.00211 82 3PX 0.00138 -0.00227 -0.00075 0.00192 0.00124 83 3PY 0.00036 0.00067 0.00018 0.00021 0.00038 84 3PZ -0.00117 0.00161 0.00084 -0.00237 0.00342 85 4XX -0.00021 0.00010 -0.00020 -0.00014 -0.00004 86 4YY 0.00009 -0.00009 -0.00003 -0.00003 -0.00020 87 4ZZ 0.00022 -0.00005 0.00017 0.00008 0.00002 88 4XY 0.00008 -0.00001 -0.00002 -0.00002 0.00012 89 4XZ 0.00008 0.00003 -0.00028 0.00001 0.00009 90 4YZ 0.00034 -0.00021 0.00007 0.00004 0.00018 91 7 H 1S -0.00008 0.00018 0.00020 0.00062 0.00110 92 2S -0.00033 -0.00007 0.00069 0.00148 0.00253 93 8 H 1S 0.00007 -0.00017 -0.00039 -0.00149 -0.00084 94 2S -0.00017 0.00099 -0.00092 -0.00196 -0.00199 95 9 H 1S 0.00650 -0.00183 -0.00121 -0.00093 -0.00478 96 2S 0.00718 -0.00457 -0.00058 -0.00158 -0.00206 97 10 H 1S -0.00486 -0.00663 0.01023 0.00741 0.00360 98 2S -0.00282 -0.00648 0.00917 0.00856 0.00244 99 11 H 1S 0.00174 0.00161 -0.00761 -0.00092 -0.00178 100 2S -0.00149 0.00325 -0.00741 -0.00198 -0.00143 101 12 H 1S -0.00011 -0.00001 -0.00029 -0.00020 -0.00198 102 2S 0.00023 0.00044 -0.00036 -0.00043 -0.00306 103 13 H 1S 0.00276 -0.00025 0.00568 0.00207 -0.00549 104 2S -0.00032 0.00040 0.00580 0.00284 -0.00499 105 14 H 1S -0.00576 0.00364 -0.00695 -0.01312 0.00750 106 2S -0.00434 0.00446 -0.00698 -0.01252 0.00650 107 15 C 1S 0.00005 0.00010 0.00010 0.00018 -0.00019 108 2S -0.00014 -0.00004 0.00004 -0.00024 -0.00007 109 2PX 0.00112 -0.00045 -0.00026 0.00165 -0.00050 110 2PY 0.00098 -0.00111 -0.00047 0.00062 -0.00021 111 2PZ -0.00090 0.00048 0.00017 -0.00135 0.00023 112 3S 0.00026 -0.00033 -0.00040 -0.00187 0.00164 113 3PX 0.00079 0.00014 -0.00082 0.00007 0.00037 114 3PY 0.00090 -0.00036 -0.00055 -0.00044 0.00061 115 3PZ -0.00035 -0.00008 -0.00005 -0.00093 0.00080 116 4XX 0.00006 0.00003 -0.00005 0.00004 0.00002 117 4YY -0.00001 -0.00001 -0.00002 -0.00006 -0.00002 118 4ZZ -0.00001 -0.00004 0.00004 0.00010 -0.00001 119 4XY 0.00012 -0.00024 0.00000 0.00029 -0.00005 120 4XZ -0.00006 0.00009 0.00003 -0.00008 -0.00005 121 4YZ -0.00013 0.00020 -0.00001 -0.00030 0.00005 122 16 C 1S 0.00002 -0.00071 0.00011 0.00080 -0.00005 123 2S -0.00044 0.00039 -0.00043 -0.00161 0.00026 124 2PX 0.00241 -0.00460 0.00026 0.00571 -0.00064 125 2PY -0.00090 0.00118 0.00006 -0.00109 0.00024 126 2PZ -0.00246 0.00367 -0.00017 -0.00603 0.00063 127 3S -0.00193 0.00176 -0.00003 -0.00100 -0.00124 128 3PX 0.00187 -0.00344 0.00086 0.00534 -0.00131 129 3PY -0.00015 0.00076 -0.00052 -0.00189 0.00081 130 3PZ -0.00175 0.00268 -0.00002 -0.00366 -0.00021 131 4XX -0.00006 0.00024 0.00009 -0.00014 0.00005 132 4YY 0.00009 -0.00008 -0.00002 0.00004 -0.00002 133 4ZZ 0.00005 -0.00017 0.00000 0.00017 -0.00005 134 4XY -0.00006 -0.00003 0.00001 -0.00001 0.00004 135 4XZ 0.00001 -0.00016 -0.00005 -0.00002 0.00003 136 4YZ 0.00004 0.00000 0.00000 -0.00001 -0.00004 137 17 C 1S 0.00007 -0.00007 0.00013 0.00031 -0.00004 138 2S -0.00026 0.00031 -0.00022 -0.00060 0.00002 139 2PX 0.00029 -0.00045 0.00040 0.00058 -0.00003 140 2PY 0.00006 0.00004 -0.00023 -0.00013 -0.00015 141 2PZ 0.00016 0.00025 -0.00062 -0.00055 -0.00015 142 3S -0.00036 0.00070 -0.00022 -0.00098 0.00006 143 3PX -0.00004 0.00033 0.00002 -0.00021 0.00001 144 3PY 0.00001 -0.00011 0.00030 0.00028 -0.00003 145 3PZ 0.00024 -0.00014 -0.00032 -0.00007 -0.00027 146 4XX 0.00000 -0.00014 0.00004 0.00008 -0.00003 147 4YY 0.00003 -0.00003 0.00002 0.00005 -0.00002 148 4ZZ -0.00002 0.00014 -0.00004 -0.00010 0.00005 149 4XY -0.00003 0.00009 0.00003 -0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ 0.00004 -0.00005 -0.00003 0.00002 0.00002 152 18 H 1S 0.00039 -0.00090 -0.00011 0.00130 -0.00010 153 2S 0.00064 -0.00135 0.00020 0.00175 -0.00040 154 19 H 1S -0.00020 0.00062 -0.00045 -0.00073 0.00012 155 2S -0.00023 0.00073 -0.00022 -0.00062 0.00042 156 20 H 1S -0.00037 0.00053 0.00014 -0.00044 0.00009 157 2S -0.00020 0.00066 -0.00005 -0.00083 0.00029 158 21 O 1S -0.00004 -0.00007 -0.00020 -0.00011 0.00014 159 2S 0.00000 0.00014 0.00047 0.00016 -0.00015 160 2PX 0.00056 0.00002 -0.00080 -0.00059 0.00081 161 2PY -0.00024 0.00066 -0.00022 -0.00033 0.00016 162 2PZ -0.00030 -0.00126 0.00112 0.00133 -0.00077 163 3S 0.00020 -0.00016 0.00093 0.00111 -0.00109 164 3PX 0.00032 0.00000 -0.00060 -0.00060 0.00079 165 3PY -0.00020 0.00047 -0.00006 -0.00009 -0.00008 166 3PZ -0.00007 -0.00093 0.00079 0.00110 -0.00050 167 4XX -0.00005 -0.00002 0.00004 -0.00003 0.00003 168 4YY -0.00003 0.00003 0.00000 -0.00006 0.00005 169 4ZZ 0.00001 0.00004 -0.00004 -0.00004 0.00005 170 4XY 0.00001 0.00001 -0.00002 -0.00002 0.00005 171 4XZ -0.00001 0.00001 0.00005 -0.00001 -0.00001 172 4YZ -0.00005 0.00000 0.00005 -0.00002 -0.00001 173 22 O 1S -0.00007 0.00013 0.00014 0.00013 -0.00001 174 2S 0.00012 -0.00040 -0.00034 -0.00031 -0.00010 175 2PX -0.00022 0.00224 0.00076 0.00009 0.00011 176 2PY 0.00054 0.00010 -0.00014 0.00041 -0.00023 177 2PZ 0.00078 -0.00182 -0.00109 0.00039 -0.00069 178 3S 0.00044 -0.00016 -0.00080 -0.00116 0.00073 179 3PX -0.00045 0.00192 0.00051 -0.00035 -0.00011 180 3PY 0.00037 -0.00007 0.00004 0.00063 -0.00034 181 3PZ 0.00083 -0.00189 -0.00072 0.00109 -0.00072 182 4XX -0.00008 0.00010 -0.00001 -0.00016 -0.00002 183 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00004 184 4ZZ 0.00006 -0.00010 0.00003 0.00024 -0.00005 185 4XY 0.00001 -0.00010 -0.00004 -0.00003 0.00002 186 4XZ 0.00002 0.00001 -0.00007 -0.00005 0.00001 187 4YZ 0.00001 0.00001 0.00006 0.00007 0.00002 188 23 H 1S 0.00012 -0.00060 0.00026 0.00048 -0.00011 189 2S 0.00038 -0.00132 0.00035 0.00118 -0.00027 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.05341 0.30682 63 2PX -0.00090 0.00094 0.41187 64 2PY 0.00199 -0.00122 -0.00499 0.38124 65 2PZ -0.00339 0.00249 -0.00313 -0.00574 0.38896 66 3S -0.18587 0.27976 -0.00647 0.00794 -0.02478 67 3PX -0.00226 0.00385 0.18595 -0.00355 0.00071 68 3PY -0.00044 -0.00253 0.00076 0.17352 -0.00966 69 3PZ -0.00163 0.00937 0.00744 -0.00608 0.17987 70 4XX -0.01787 0.00019 0.01072 -0.01029 0.01115 71 4YY -0.01551 -0.00514 0.00056 0.01508 -0.00103 72 4ZZ -0.01630 -0.00351 -0.01053 -0.00819 -0.00580 73 4XY 0.00055 -0.00106 -0.01582 0.00029 0.00039 74 4XZ 0.00050 -0.00110 0.01494 -0.00053 -0.01187 75 4YZ 0.00140 -0.00269 -0.00003 0.00069 -0.01284 76 6 C 1S 0.01252 -0.02336 0.01708 0.02349 0.06432 77 2S -0.02297 0.03914 -0.03374 -0.04866 -0.13741 78 2PX -0.02143 0.04299 0.00050 -0.02056 -0.10109 79 2PY -0.02955 0.05546 -0.02748 -0.03153 -0.12204 80 2PZ -0.05185 0.10797 -0.08301 -0.11037 -0.23455 81 3S -0.00158 0.01520 -0.03857 -0.03619 -0.11064 82 3PX -0.00447 0.01064 0.00011 -0.00743 -0.03885 83 3PY -0.00707 0.01663 -0.00297 -0.01296 -0.01882 84 3PZ -0.00574 0.02431 -0.01550 -0.05083 -0.09078 85 4XX 0.00165 -0.00383 0.00730 0.00065 0.00545 86 4YY 0.00169 -0.00346 0.00096 0.00950 0.00365 87 4ZZ -0.00512 0.00885 -0.00570 -0.00773 0.00068 88 4XY -0.00133 0.00249 0.00081 0.00065 -0.00406 89 4XZ -0.00200 0.00368 0.00911 -0.00272 -0.00359 90 4YZ -0.00340 0.00664 -0.00319 0.00439 -0.00853 91 7 H 1S -0.00710 0.01561 -0.01137 -0.01106 -0.03375 92 2S -0.00909 0.02150 -0.02682 -0.01592 -0.06650 93 8 H 1S -0.00090 0.00147 0.00009 0.00103 -0.00298 94 2S -0.00047 -0.00004 0.00382 0.00097 0.00410 95 9 H 1S -0.00717 0.01458 -0.00151 0.03618 -0.00434 96 2S -0.00907 0.01876 -0.00485 0.06045 -0.01994 97 10 H 1S 0.00761 -0.01999 -0.02272 -0.02939 -0.00278 98 2S 0.00792 -0.01756 -0.04407 -0.05181 -0.00223 99 11 H 1S -0.05306 0.10305 0.24407 -0.09285 0.06747 100 2S -0.00470 0.02007 0.21325 -0.07584 0.05572 101 12 H 1S 0.01166 -0.02374 0.00669 0.03133 0.03240 102 2S 0.01409 -0.02635 0.01508 0.05915 0.06669 103 13 H 1S -0.05287 0.10196 -0.18021 -0.08047 0.17920 104 2S -0.00700 0.02105 -0.16491 -0.06624 0.15935 105 14 H 1S 0.00840 -0.02009 0.01884 -0.02734 -0.01614 106 2S 0.01010 -0.02085 0.03501 -0.05262 -0.02229 107 15 C 1S -0.00160 0.00237 0.00275 0.00037 -0.00219 108 2S 0.00232 -0.00724 -0.00839 0.00112 0.01167 109 2PX -0.00601 0.01600 0.01449 0.00148 -0.01969 110 2PY -0.00138 0.00411 0.00285 0.00184 -0.00129 111 2PZ 0.00522 -0.01807 -0.01389 0.00169 0.01865 112 3S 0.00606 -0.00124 -0.00166 -0.00813 -0.01872 113 3PX -0.00470 0.01725 0.02393 0.00042 -0.03174 114 3PY -0.00098 0.01047 0.00749 -0.00131 -0.02065 115 3PZ 0.00664 -0.00698 -0.00779 -0.00013 0.00120 116 4XX -0.00063 0.00056 0.00092 0.00003 -0.00036 117 4YY 0.00003 -0.00028 -0.00017 0.00039 0.00086 118 4ZZ -0.00062 0.00051 0.00050 0.00048 -0.00154 119 4XY -0.00037 0.00055 -0.00007 0.00037 -0.00068 120 4XZ 0.00066 -0.00101 -0.00114 0.00007 0.00209 121 4YZ 0.00023 -0.00046 0.00049 -0.00025 0.00104 122 16 C 1S -0.00135 0.00331 0.00010 0.00131 -0.00447 123 2S 0.00251 -0.00446 -0.00034 -0.00181 0.00621 124 2PX -0.00749 0.01643 -0.00553 0.00836 -0.02316 125 2PY 0.00026 -0.00225 0.00294 -0.00295 -0.00042 126 2PZ 0.00676 -0.01383 0.00340 -0.00671 0.01780 127 3S 0.00525 -0.02179 -0.00053 -0.00380 0.04389 128 3PX -0.00501 0.00780 -0.01195 0.01243 -0.01016 129 3PY 0.00098 0.00160 0.00919 -0.00419 -0.00923 130 3PZ 0.00473 -0.01516 0.00205 -0.00048 0.02306 131 4XX 0.00003 0.00002 -0.00010 -0.00020 -0.00037 132 4YY -0.00008 0.00002 -0.00039 0.00053 0.00052 133 4ZZ -0.00049 0.00104 0.00049 0.00051 -0.00123 134 4XY 0.00020 -0.00069 -0.00069 0.00008 0.00080 135 4XZ 0.00000 -0.00019 -0.00064 0.00001 0.00047 136 4YZ -0.00011 0.00086 0.00045 -0.00028 -0.00108 137 17 C 1S -0.00065 0.00137 0.00329 -0.00005 0.00042 138 2S 0.00156 -0.00373 -0.00908 -0.00032 -0.00083 139 2PX -0.00190 0.00417 0.00788 0.00096 0.00238 140 2PY 0.00001 0.00041 0.00185 0.00005 0.00246 141 2PZ 0.00281 -0.00423 -0.01835 0.00433 -0.00495 142 3S 0.00356 -0.00478 -0.01119 0.00019 -0.00241 143 3PX 0.00052 -0.00167 -0.00734 -0.00476 0.00093 144 3PY 0.00086 -0.00110 -0.00496 0.00071 0.00067 145 3PZ 0.00190 -0.00207 -0.01921 0.00415 -0.00710 146 4XX -0.00032 0.00025 0.00064 0.00036 0.00001 147 4YY -0.00006 0.00027 0.00022 0.00026 -0.00012 148 4ZZ 0.00026 -0.00041 -0.00038 -0.00035 -0.00005 149 4XY 0.00015 -0.00060 -0.00009 0.00014 0.00029 150 4XZ 0.00001 -0.00004 -0.00050 0.00006 0.00002 151 4YZ -0.00031 0.00062 0.00027 -0.00019 -0.00046 152 18 H 1S -0.00132 0.00099 -0.00111 0.00171 -0.00124 153 2S -0.00232 0.00125 -0.00626 0.00757 -0.00090 154 19 H 1S 0.00270 -0.00473 -0.00805 -0.00102 -0.00060 155 2S -0.00010 -0.00130 0.01067 -0.00203 0.00672 156 20 H 1S 0.00045 0.00109 0.00160 -0.00109 -0.00103 157 2S 0.00048 0.00573 0.00505 0.00098 -0.00801 158 21 O 1S -0.00055 0.00098 0.00448 -0.00124 -0.00165 159 2S 0.00228 -0.00251 -0.00961 0.00340 0.00099 160 2PX -0.00379 0.01216 0.01821 -0.00614 -0.00593 161 2PY -0.00114 -0.00118 0.00506 -0.00452 0.00074 162 2PZ 0.00311 -0.00876 -0.02211 0.00844 -0.00281 163 3S -0.00116 -0.00487 -0.02702 0.00435 0.01800 164 3PX -0.00096 0.00699 0.01208 -0.00447 -0.00653 165 3PY -0.00086 -0.00247 -0.00199 -0.00335 0.00534 166 3PZ 0.00116 -0.00346 -0.01266 0.00584 -0.00685 167 4XX 0.00046 -0.00072 -0.00018 0.00039 0.00000 168 4YY 0.00040 -0.00042 -0.00023 -0.00003 -0.00064 169 4ZZ 0.00021 0.00056 0.00142 -0.00010 -0.00159 170 4XY -0.00008 0.00060 0.00078 -0.00045 -0.00066 171 4XZ 0.00030 -0.00048 -0.00179 0.00033 0.00045 172 4YZ 0.00031 -0.00067 -0.00146 0.00046 -0.00005 173 22 O 1S 0.00035 -0.00090 -0.00001 -0.00021 0.00074 174 2S -0.00036 0.00121 0.00059 0.00149 -0.00001 175 2PX 0.00404 -0.00894 0.00208 0.00085 0.00992 176 2PY -0.00108 0.00204 0.00350 0.00314 -0.00004 177 2PZ -0.00486 0.01105 0.00420 0.00132 -0.00776 178 3S -0.00302 0.00783 -0.00133 -0.00365 -0.01229 179 3PX 0.00391 -0.00956 0.00212 0.00073 0.01197 180 3PY -0.00036 0.00118 0.00402 0.00359 0.00176 181 3PZ -0.00479 0.00936 0.00351 0.00254 -0.00679 182 4XX 0.00039 -0.00038 0.00086 0.00007 0.00102 183 4YY 0.00020 -0.00039 -0.00015 0.00010 0.00069 184 4ZZ 0.00013 0.00006 -0.00014 0.00042 -0.00005 185 4XY -0.00012 0.00032 -0.00017 0.00007 -0.00049 186 4XZ -0.00004 0.00003 -0.00017 0.00007 -0.00004 187 4YZ 0.00012 -0.00006 0.00007 -0.00019 -0.00002 188 23 H 1S -0.00148 0.00243 0.00374 0.00104 0.00045 189 2S -0.00291 0.00564 0.00935 0.00523 -0.00186 66 67 68 69 70 66 3S 0.30210 67 3PX -0.00137 0.08585 68 3PY 0.00729 -0.00186 0.08588 69 3PZ -0.00699 0.00654 -0.00766 0.09074 70 4XX -0.00035 0.00492 -0.00456 0.00529 0.00113 71 4YY -0.00513 0.00020 0.00601 -0.00086 -0.00033 72 4ZZ -0.00015 -0.00477 -0.00318 -0.00239 -0.00017 73 4XY -0.00117 -0.00724 -0.00004 -0.00023 -0.00040 74 4XZ -0.00235 0.00665 0.00025 -0.00508 0.00023 75 4YZ -0.00250 -0.00016 0.00092 -0.00612 -0.00042 76 6 C 1S 0.00258 0.00271 0.00571 0.01309 0.00197 77 2S 0.02396 -0.01329 -0.01147 -0.04403 -0.00450 78 2PX 0.09360 -0.00003 -0.01357 -0.04351 -0.00736 79 2PY 0.11180 -0.01603 0.00262 -0.05772 -0.00167 80 2PZ 0.08685 -0.03736 -0.05337 -0.11717 -0.00375 81 3S 0.00025 -0.01153 -0.00988 -0.02320 -0.00464 82 3PX 0.04852 -0.00165 -0.00132 -0.01622 -0.00411 83 3PY 0.02853 0.00036 -0.00475 -0.00274 0.00008 84 3PZ -0.00063 -0.00754 -0.02377 -0.04787 0.00010 85 4XX -0.00365 0.00317 0.00081 0.00129 0.00055 86 4YY -0.00684 0.00064 0.00362 0.00256 -0.00029 87 4ZZ 0.01172 -0.00266 -0.00391 -0.00033 0.00004 88 4XY 0.00382 0.00044 -0.00012 -0.00239 -0.00017 89 4XZ 0.00373 0.00421 -0.00107 -0.00117 0.00026 90 4YZ 0.00654 -0.00139 0.00183 -0.00426 -0.00039 91 7 H 1S 0.04177 -0.00462 -0.01304 -0.02991 -0.00119 92 2S 0.05147 -0.01221 -0.01569 -0.04622 -0.00276 93 8 H 1S 0.00354 0.00130 -0.00023 -0.00070 0.00044 94 2S -0.00168 0.00383 -0.00067 0.00421 0.00114 95 9 H 1S 0.04598 -0.00396 0.03698 -0.00019 -0.00081 96 2S 0.05206 -0.00610 0.04915 -0.00658 -0.00228 97 10 H 1S -0.01940 -0.01473 -0.01812 -0.00845 -0.00095 98 2S -0.00379 -0.02328 -0.02464 -0.00582 -0.00070 99 11 H 1S 0.08095 0.11188 -0.04141 0.03912 0.01149 100 2S -0.00680 0.09433 -0.02999 0.02563 0.01044 101 12 H 1S -0.06426 0.00613 0.00753 0.02545 -0.00156 102 2S -0.06879 0.00961 0.01769 0.03802 -0.00043 103 13 H 1S 0.09108 -0.07906 -0.04180 0.08296 0.00243 104 2S 0.01901 -0.07320 -0.03400 0.07122 0.00131 105 14 H 1S -0.03336 0.00937 -0.01271 -0.01225 0.00039 106 2S -0.03229 0.01823 -0.02122 -0.01142 0.00188 107 15 C 1S 0.00255 0.00447 0.00152 -0.00310 -0.00041 108 2S -0.00748 -0.00430 0.00070 0.00600 0.00046 109 2PX 0.01136 0.01166 -0.00823 -0.00175 0.00106 110 2PY -0.00173 0.00523 0.00236 0.00097 -0.00006 111 2PZ -0.00089 0.00415 0.00976 0.00681 -0.00135 112 3S 0.00821 -0.00074 -0.00022 -0.00599 0.00009 113 3PX 0.00614 0.01151 -0.00630 -0.01038 0.00074 114 3PY 0.01295 0.00524 -0.00020 -0.00826 -0.00012 115 3PZ 0.00619 -0.00038 0.00482 -0.00124 -0.00115 116 4XX 0.00265 0.00163 -0.00103 0.00221 -0.00015 117 4YY -0.00173 -0.00055 0.00030 -0.00003 0.00004 118 4ZZ 0.00032 -0.00056 0.00096 -0.00250 0.00005 119 4XY 0.00252 -0.00074 0.00040 -0.00077 -0.00009 120 4XZ -0.00127 -0.00019 0.00011 0.00054 0.00012 121 4YZ -0.00140 0.00029 -0.00086 0.00121 0.00013 122 16 C 1S 0.00485 -0.00199 -0.00085 -0.00127 -0.00017 123 2S -0.00903 0.00102 0.00100 0.00195 0.00043 124 2PX 0.04192 -0.01623 0.00751 -0.01813 -0.00142 125 2PY 0.00884 0.00246 -0.00146 -0.00012 -0.00011 126 2PZ -0.03612 0.00601 -0.01048 0.01475 0.00136 127 3S -0.04200 0.00318 -0.00214 0.02033 0.00139 128 3PX 0.02839 -0.01262 0.00969 -0.00941 -0.00147 129 3PY 0.00535 0.00702 -0.00077 -0.00151 0.00037 130 3PZ -0.03138 0.00618 -0.00395 0.01530 0.00129 131 4XX -0.00109 -0.00048 -0.00025 -0.00021 0.00000 132 4YY 0.00032 0.00016 0.00050 0.00046 0.00000 133 4ZZ 0.00204 0.00013 0.00008 -0.00077 -0.00004 134 4XY 0.00000 -0.00060 0.00040 0.00015 -0.00007 135 4XZ 0.00124 -0.00079 0.00020 -0.00018 -0.00003 136 4YZ -0.00020 -0.00027 -0.00075 -0.00029 0.00007 137 17 C 1S 0.00215 0.00092 -0.00061 -0.00086 -0.00002 138 2S -0.00212 -0.00275 0.00100 0.00004 -0.00013 139 2PX 0.00324 0.00254 -0.00028 -0.00164 -0.00008 140 2PY -0.00568 0.00022 -0.00102 0.00025 0.00010 141 2PZ -0.01753 -0.00968 0.00548 0.00069 -0.00011 142 3S -0.00295 -0.00371 0.00052 0.00040 -0.00031 143 3PX -0.00221 -0.00299 -0.00296 0.00092 -0.00023 144 3PY -0.00041 0.00015 -0.00061 0.00171 -0.00022 145 3PZ -0.00572 -0.01057 0.00459 -0.00645 -0.00043 146 4XX 0.00118 -0.00002 0.00041 -0.00132 0.00004 147 4YY -0.00037 -0.00006 0.00036 -0.00059 -0.00002 148 4ZZ -0.00068 0.00030 -0.00068 0.00184 -0.00001 149 4XY -0.00087 -0.00002 0.00096 -0.00079 0.00006 150 4XZ 0.00079 -0.00006 -0.00017 0.00014 -0.00002 151 4YZ 0.00190 0.00109 -0.00100 0.00153 -0.00005 152 18 H 1S 0.01424 0.00070 0.00473 -0.00305 -0.00050 153 2S 0.01824 -0.00230 0.00674 -0.00338 -0.00091 154 19 H 1S -0.01212 -0.00232 0.00034 0.00659 0.00011 155 2S -0.00944 0.00804 -0.00285 0.01557 0.00053 156 20 H 1S -0.00629 -0.00653 -0.00366 -0.00270 0.00098 157 2S -0.00090 -0.00371 -0.00288 -0.00756 0.00068 158 21 O 1S 0.00837 0.00231 -0.00265 0.00095 0.00014 159 2S -0.01855 -0.00415 0.00504 -0.00118 -0.00029 160 2PX 0.01250 0.01346 -0.01906 0.02775 -0.00092 161 2PY 0.03111 0.01810 -0.00894 0.01363 0.00024 162 2PZ -0.02062 -0.03043 0.03008 -0.04820 0.00025 163 3S -0.02748 -0.01421 0.00733 0.00314 -0.00059 164 3PX 0.00875 0.01046 -0.01350 0.01960 -0.00078 165 3PY 0.01881 0.00959 -0.00611 0.01099 0.00013 166 3PZ -0.01343 -0.01984 0.02006 -0.03600 0.00032 167 4XX -0.00045 -0.00034 0.00079 -0.00089 -0.00003 168 4YY 0.00149 0.00081 -0.00051 0.00054 -0.00002 169 4ZZ -0.00030 0.00048 -0.00047 -0.00017 0.00005 170 4XY 0.00034 0.00029 -0.00084 0.00070 -0.00005 171 4XZ -0.00070 -0.00073 -0.00010 0.00054 -0.00003 172 4YZ -0.00141 -0.00148 0.00138 -0.00194 0.00000 173 22 O 1S -0.00140 0.00066 -0.00032 0.00120 0.00004 174 2S 0.00520 -0.00116 0.00170 -0.00313 -0.00018 175 2PX -0.02579 0.00457 0.00796 0.00206 0.00035 176 2PY 0.00375 0.01137 0.00147 0.00662 0.00002 177 2PZ 0.01643 0.00984 -0.00790 0.00189 -0.00015 178 3S 0.00764 -0.00274 -0.00055 -0.01043 -0.00035 179 3PX -0.02367 0.00319 0.00614 0.00362 0.00055 180 3PY 0.00329 0.00885 0.00121 0.00583 0.00000 181 3PZ 0.01702 0.00549 -0.00421 -0.00022 -0.00026 182 4XX -0.00092 0.00070 -0.00017 0.00061 0.00007 183 4YY -0.00005 -0.00042 0.00011 0.00010 0.00001 184 4ZZ 0.00064 -0.00017 0.00046 0.00006 -0.00005 185 4XY 0.00066 -0.00030 -0.00028 -0.00015 -0.00001 186 4XZ 0.00026 -0.00021 0.00025 -0.00019 -0.00001 187 4YZ -0.00011 -0.00039 0.00016 -0.00026 0.00000 188 23 H 1S 0.00559 0.00051 0.00113 -0.00514 0.00001 189 2S 0.00914 0.00123 0.00426 -0.01008 0.00014 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00033 0.00105 73 4XY 0.00003 0.00038 0.00096 74 4XZ 0.00007 -0.00033 -0.00054 0.00130 75 4YZ 0.00025 0.00018 0.00004 0.00042 0.00091 76 6 C 1S 0.00081 -0.00456 -0.00115 -0.00264 -0.00410 77 2S -0.00222 0.00848 0.00204 0.00524 0.00767 78 2PX -0.00072 0.00573 -0.00143 -0.00785 0.00392 79 2PY -0.00983 0.00738 -0.00103 0.00344 -0.00341 80 2PZ -0.00225 0.00104 0.00361 0.00571 0.00869 81 3S -0.00177 0.00861 0.00249 0.00331 0.00612 82 3PX -0.00125 0.00456 -0.00119 -0.00506 0.00155 83 3PY -0.00342 0.00229 -0.00060 0.00034 -0.00276 84 3PZ -0.00014 -0.00148 0.00105 0.00512 0.00415 85 4XX -0.00011 -0.00043 -0.00026 0.00024 -0.00030 86 4YY 0.00085 -0.00039 0.00005 -0.00016 0.00031 87 4ZZ -0.00055 0.00029 0.00009 -0.00052 -0.00033 88 4XY 0.00004 -0.00001 -0.00006 -0.00012 0.00008 89 4XZ -0.00019 -0.00011 -0.00038 0.00062 0.00002 90 4YZ 0.00020 -0.00009 0.00013 0.00011 0.00031 91 7 H 1S 0.00007 -0.00017 0.00039 -0.00149 0.00084 92 2S -0.00017 0.00099 0.00092 -0.00196 0.00199 93 8 H 1S -0.00008 0.00018 -0.00020 0.00062 -0.00110 94 2S -0.00033 -0.00007 -0.00069 0.00148 -0.00253 95 9 H 1S -0.00011 -0.00001 0.00029 -0.00020 0.00198 96 2S 0.00023 0.00044 0.00036 -0.00043 0.00306 97 10 H 1S 0.00174 0.00161 0.00761 -0.00092 0.00178 98 2S -0.00149 0.00325 0.00741 -0.00198 0.00143 99 11 H 1S -0.00486 -0.00663 -0.01023 0.00741 -0.00360 100 2S -0.00282 -0.00648 -0.00917 0.00855 -0.00244 101 12 H 1S 0.00650 -0.00183 0.00121 -0.00093 0.00479 102 2S 0.00718 -0.00457 0.00058 -0.00158 0.00206 103 13 H 1S -0.00576 0.00363 0.00696 -0.01312 -0.00751 104 2S -0.00434 0.00446 0.00698 -0.01252 -0.00651 105 14 H 1S 0.00275 -0.00025 -0.00568 0.00207 0.00549 106 2S -0.00032 0.00040 -0.00580 0.00284 0.00499 107 15 C 1S 0.00002 -0.00071 -0.00011 0.00080 0.00005 108 2S -0.00044 0.00039 0.00043 -0.00161 -0.00026 109 2PX 0.00241 -0.00460 -0.00026 0.00571 0.00064 110 2PY 0.00090 -0.00118 0.00006 0.00109 0.00024 111 2PZ -0.00246 0.00367 0.00017 -0.00603 -0.00063 112 3S -0.00193 0.00176 0.00003 -0.00100 0.00124 113 3PX 0.00187 -0.00344 -0.00086 0.00534 0.00131 114 3PY 0.00015 -0.00076 -0.00052 0.00189 0.00081 115 3PZ -0.00175 0.00268 0.00002 -0.00366 0.00021 116 4XX -0.00006 0.00024 -0.00009 -0.00014 -0.00006 117 4YY 0.00009 -0.00008 0.00002 0.00004 0.00002 118 4ZZ 0.00005 -0.00017 0.00000 0.00017 0.00005 119 4XY 0.00006 0.00003 0.00001 0.00001 0.00004 120 4XZ 0.00001 -0.00016 0.00005 -0.00002 -0.00003 121 4YZ -0.00004 0.00000 0.00000 0.00001 -0.00004 122 16 C 1S 0.00005 0.00010 -0.00010 0.00018 0.00019 123 2S -0.00014 -0.00004 -0.00003 -0.00024 0.00007 124 2PX 0.00112 -0.00045 0.00026 0.00165 0.00050 125 2PY -0.00098 0.00111 -0.00047 -0.00062 -0.00021 126 2PZ -0.00090 0.00048 -0.00017 -0.00135 -0.00023 127 3S 0.00026 -0.00033 0.00040 -0.00187 -0.00163 128 3PX 0.00079 0.00014 0.00082 0.00007 -0.00037 129 3PY -0.00090 0.00036 -0.00055 0.00044 0.00061 130 3PZ -0.00035 -0.00008 0.00005 -0.00093 -0.00080 131 4XX 0.00006 0.00003 0.00005 0.00004 -0.00002 132 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00002 133 4ZZ -0.00001 -0.00004 -0.00004 0.00010 0.00001 134 4XY -0.00012 0.00024 0.00000 -0.00029 -0.00005 135 4XZ -0.00006 0.00009 -0.00003 -0.00008 0.00005 136 4YZ 0.00013 -0.00020 -0.00001 0.00030 0.00005 137 17 C 1S 0.00007 -0.00007 -0.00013 0.00031 0.00004 138 2S -0.00026 0.00031 0.00022 -0.00060 -0.00002 139 2PX 0.00029 -0.00045 -0.00040 0.00058 0.00003 140 2PY -0.00006 -0.00004 -0.00023 0.00013 -0.00015 141 2PZ 0.00016 0.00025 0.00062 -0.00055 0.00015 142 3S -0.00036 0.00070 0.00022 -0.00098 -0.00006 143 3PX -0.00004 0.00033 -0.00002 -0.00021 -0.00001 144 3PY -0.00001 0.00011 0.00030 -0.00028 -0.00003 145 3PZ 0.00024 -0.00014 0.00032 -0.00007 0.00027 146 4XX 0.00000 -0.00014 -0.00004 0.00008 0.00003 147 4YY 0.00003 -0.00003 -0.00002 0.00005 0.00002 148 4ZZ -0.00002 0.00014 0.00004 -0.00010 -0.00005 149 4XY 0.00003 -0.00009 0.00003 0.00001 -0.00001 150 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 151 4YZ -0.00004 0.00005 -0.00003 -0.00002 0.00002 152 18 H 1S -0.00037 0.00053 -0.00014 -0.00044 -0.00009 153 2S -0.00020 0.00066 0.00005 -0.00083 -0.00029 154 19 H 1S -0.00020 0.00062 0.00045 -0.00073 -0.00012 155 2S -0.00023 0.00073 0.00022 -0.00062 -0.00042 156 20 H 1S 0.00039 -0.00090 0.00011 0.00130 0.00010 157 2S 0.00064 -0.00135 -0.00020 0.00175 0.00041 158 21 O 1S -0.00007 0.00013 -0.00014 0.00013 0.00001 159 2S 0.00012 -0.00040 0.00034 -0.00031 0.00010 160 2PX -0.00022 0.00224 -0.00076 0.00009 -0.00011 161 2PY -0.00054 -0.00010 -0.00014 -0.00041 -0.00023 162 2PZ 0.00078 -0.00182 0.00109 0.00039 0.00069 163 3S 0.00044 -0.00016 0.00080 -0.00116 -0.00073 164 3PX -0.00045 0.00192 -0.00051 -0.00035 0.00011 165 3PY -0.00037 0.00007 0.00004 -0.00063 -0.00034 166 3PZ 0.00083 -0.00189 0.00072 0.00109 0.00072 167 4XX -0.00008 0.00010 0.00001 -0.00016 0.00002 168 4YY -0.00001 0.00000 0.00003 0.00000 0.00004 169 4ZZ 0.00006 -0.00010 -0.00003 0.00024 0.00005 170 4XY -0.00001 0.00010 -0.00004 0.00003 0.00002 171 4XZ 0.00002 0.00001 0.00007 -0.00005 -0.00001 172 4YZ -0.00001 -0.00001 0.00006 -0.00007 0.00002 173 22 O 1S -0.00004 -0.00007 0.00020 -0.00011 -0.00014 174 2S 0.00000 0.00014 -0.00047 0.00016 0.00015 175 2PX 0.00056 0.00002 0.00080 -0.00059 -0.00081 176 2PY 0.00024 -0.00066 -0.00022 0.00033 0.00016 177 2PZ -0.00030 -0.00126 -0.00112 0.00133 0.00077 178 3S 0.00020 -0.00016 -0.00093 0.00111 0.00109 179 3PX 0.00032 0.00000 0.00060 -0.00060 -0.00079 180 3PY 0.00020 -0.00047 -0.00006 0.00009 -0.00008 181 3PZ -0.00007 -0.00093 -0.00079 0.00109 0.00050 182 4XX -0.00005 -0.00002 -0.00004 -0.00003 -0.00003 183 4YY -0.00003 0.00003 0.00000 -0.00006 -0.00005 184 4ZZ 0.00001 0.00004 0.00004 -0.00004 -0.00005 185 4XY -0.00001 -0.00001 -0.00002 0.00002 0.00005 186 4XZ -0.00001 0.00001 -0.00005 -0.00001 0.00001 187 4YZ 0.00005 0.00000 0.00005 0.00002 -0.00001 188 23 H 1S 0.00012 -0.00060 -0.00026 0.00048 0.00011 189 2S 0.00038 -0.00132 -0.00035 0.00118 0.00027 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.06133 0.32633 78 2PX 0.00315 -0.00483 0.35439 79 2PY 0.00191 0.00376 -0.02302 0.41151 80 2PZ 0.00214 0.00093 0.04001 0.00391 0.38400 81 3S -0.19781 0.29069 0.01224 -0.00350 -0.02807 82 3PX -0.00758 0.01604 0.19638 0.01983 -0.03217 83 3PY -0.00758 -0.00820 -0.00467 0.13002 -0.01758 84 3PZ 0.00297 -0.00462 -0.04853 -0.01430 0.17019 85 4XX -0.01132 -0.01296 -0.00889 0.00494 -0.00137 86 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 87 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 88 4XY 0.00161 -0.00345 0.00762 0.00005 0.00415 89 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 90 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 91 7 H 1S 0.01338 -0.02791 0.03270 -0.00421 0.03215 92 2S 0.01887 -0.03229 0.07741 0.00141 0.06794 93 8 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 94 2S -0.01234 0.02410 -0.06563 0.03045 -0.02983 95 9 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 96 2S -0.00361 0.01394 0.03433 0.02541 -0.00578 97 10 H 1S -0.00421 0.01109 0.01223 0.01109 0.01092 98 2S -0.00628 0.01443 0.02776 0.02015 0.01335 99 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 100 2S 0.01421 -0.02688 -0.08200 -0.01218 -0.02898 101 12 H 1S -0.05969 0.11295 0.02941 -0.26415 -0.02267 102 2S -0.01311 0.02597 0.00927 -0.24493 -0.02200 103 13 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02613 104 2S 0.01254 -0.02988 0.00775 -0.01031 -0.05903 105 14 H 1S -0.00194 0.00810 -0.00892 0.00399 0.02444 106 2S -0.00257 0.00829 -0.01197 0.01246 0.03387 107 15 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 108 2S 0.00085 -0.01172 0.01025 0.00287 -0.00672 109 2PX 0.00438 -0.00253 -0.10007 -0.03474 0.05650 110 2PY -0.00057 0.00518 -0.02520 -0.01767 0.00963 111 2PZ -0.00771 0.01090 0.08812 0.02312 -0.05946 112 3S 0.01939 -0.00898 0.03369 0.03755 0.01772 113 3PX -0.00116 0.00241 -0.06898 -0.02649 0.05826 114 3PY 0.00042 0.00593 -0.01876 0.00967 0.01997 115 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 116 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 117 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 118 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 119 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 120 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 121 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 122 16 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 123 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 124 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 125 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 126 2PZ 0.00542 -0.01608 -0.01140 -0.00645 0.00572 127 3S -0.00390 -0.01547 -0.01235 -0.04106 -0.01991 128 3PX -0.00525 0.01582 0.01447 0.00810 -0.01702 129 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 130 3PZ 0.00095 -0.01385 -0.02188 -0.00944 -0.00461 131 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 132 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 133 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 134 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 135 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 136 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 137 17 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 138 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 139 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 140 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 141 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 142 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 143 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 144 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 145 3PZ -0.00012 0.00145 -0.01062 -0.00170 0.00866 146 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 147 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 148 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 149 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 150 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 151 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 152 18 H 1S -0.00217 0.00570 0.01886 0.00820 -0.01269 153 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 154 19 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 155 2S -0.00191 0.00050 0.01930 0.00327 -0.01360 156 20 H 1S 0.00600 -0.01492 -0.02504 -0.00207 0.02148 157 2S 0.00674 -0.01323 -0.02736 -0.00707 0.02821 158 21 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 159 2S 0.00144 -0.00357 -0.00922 -0.00011 0.00159 160 2PX -0.00871 0.01381 0.06018 0.01145 -0.01992 161 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00435 162 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02773 163 3S -0.00560 -0.00092 -0.01760 -0.00057 -0.01792 164 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 165 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00723 166 3PZ 0.00724 -0.00760 -0.04912 -0.01410 0.03125 167 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 168 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 169 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 170 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 171 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 172 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 173 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 174 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 175 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 176 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 177 2PZ -0.00038 0.00618 -0.01086 -0.00506 0.00366 178 3S 0.00417 0.00260 -0.00468 0.00353 0.01629 179 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 180 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 181 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 182 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 183 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 184 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 185 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 186 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 187 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 188 23 H 1S 0.00142 -0.00087 -0.01076 -0.00153 0.00282 189 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 81 82 83 84 85 81 3S 0.30061 82 3PX 0.02129 0.12488 83 3PY 0.00563 0.00624 0.05321 84 3PZ -0.02581 -0.05271 -0.01514 0.09658 85 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 86 4YY 0.00386 0.00114 -0.00652 -0.00038 -0.00052 87 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 88 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 89 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 90 4YZ 0.00061 0.00006 -0.00162 0.00357 -0.00014 91 7 H 1S -0.05772 0.01770 -0.01041 0.00730 0.00307 92 2S -0.05898 0.03768 -0.01146 0.01283 0.00157 93 8 H 1S 0.04153 -0.02563 0.00659 -0.01358 0.00034 94 2S 0.04888 -0.04372 0.01573 -0.01523 0.00109 95 9 H 1S 0.00542 0.01174 -0.00990 -0.00326 -0.00021 96 2S 0.01443 0.02815 -0.00401 -0.00905 -0.00090 97 10 H 1S 0.01102 0.00908 -0.00455 0.00279 -0.00024 98 2S 0.01061 0.02205 -0.00342 -0.00198 -0.00114 99 11 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 100 2S -0.04475 -0.04621 -0.00375 0.01693 0.00610 101 12 H 1S 0.11235 0.00498 -0.08410 -0.00407 -0.00852 102 2S 0.03320 -0.01110 -0.07232 0.00216 -0.00501 103 13 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 104 2S -0.01438 0.01446 0.00678 -0.04306 -0.00103 105 14 H 1S -0.00360 -0.00075 -0.00944 0.02497 0.00137 106 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 107 15 C 1S 0.00479 0.00167 -0.00191 0.00396 -0.00149 108 2S 0.00188 -0.00231 0.00686 -0.00722 0.00264 109 2PX -0.00879 -0.06592 -0.01521 0.05403 -0.00496 110 2PY -0.00296 -0.01542 -0.00272 0.01962 -0.00346 111 2PZ 0.03433 0.06243 0.01959 -0.05024 0.00291 112 3S 0.00633 0.00809 0.01663 -0.00658 0.00472 113 3PX -0.01131 -0.04891 -0.01405 0.04815 -0.00307 114 3PY -0.00142 -0.01364 -0.00006 0.01789 -0.00193 115 3PZ 0.01276 0.04703 0.01041 -0.03220 0.00247 116 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 117 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 118 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 119 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 120 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 121 4YZ 0.00001 -0.00253 0.00115 -0.00021 0.00043 122 16 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 123 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 124 2PX -0.01557 0.01645 -0.02124 -0.00020 -0.00642 125 2PY 0.00887 0.01834 0.00077 -0.01980 0.00218 126 2PZ 0.00404 -0.02241 0.01483 -0.00082 0.00551 127 3S -0.00131 -0.00671 -0.00009 -0.00727 0.00314 128 3PX -0.00104 0.01959 -0.01035 -0.00997 -0.00457 129 3PY 0.00791 -0.00145 0.00611 -0.00096 0.00247 130 3PZ 0.00824 -0.02259 0.01130 -0.00260 0.00448 131 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 132 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 133 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 134 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 135 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 136 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 137 17 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 138 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 139 2PX -0.01577 -0.00104 -0.00453 0.00864 0.00021 140 2PY -0.00789 0.00268 0.00141 0.00227 0.00035 141 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 142 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 143 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 144 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 145 3PZ -0.00685 -0.00525 -0.00533 0.00993 -0.00113 146 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 147 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 148 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 149 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 150 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 151 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 152 18 H 1S 0.00326 0.01990 -0.00385 -0.01165 -0.00039 153 2S 0.00516 0.02251 -0.00369 -0.01651 -0.00119 154 19 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 155 2S 0.03436 0.00894 0.02261 -0.01663 0.00052 156 20 H 1S -0.01940 -0.02450 -0.00643 0.01187 0.00237 157 2S -0.02510 -0.02492 -0.01126 0.01827 0.00128 158 21 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 159 2S 0.00713 0.00370 0.00818 0.00912 -0.00046 160 2PX 0.06014 0.03304 0.03526 -0.03603 -0.00293 161 2PY 0.03806 -0.01207 0.00554 -0.01763 -0.00032 162 2PZ -0.09377 -0.02384 -0.05511 0.04420 0.00201 163 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 164 3PX 0.04692 0.02864 0.02790 -0.02875 -0.00148 165 3PY 0.02466 -0.00708 0.00346 -0.01327 -0.00033 166 3PZ -0.06963 -0.02555 -0.04139 0.04031 0.00128 167 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 168 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 169 4ZZ 0.00015 -0.00189 0.00022 0.00145 -0.00001 170 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 171 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 172 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 173 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 174 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 175 2PX 0.01339 -0.00598 0.01718 0.00465 0.00284 176 2PY 0.01504 -0.01028 0.00351 0.00627 -0.00057 177 2PZ -0.00940 -0.00676 -0.01291 0.01134 -0.00300 178 3S -0.02205 -0.00577 -0.01076 0.01417 -0.00127 179 3PX 0.00989 -0.00764 0.01268 0.00164 0.00285 180 3PY 0.01203 -0.00555 0.00296 0.00118 -0.00037 181 3PZ -0.00809 -0.00206 -0.01200 0.00637 -0.00270 182 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 183 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 184 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 185 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 186 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 187 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 188 23 H 1S -0.01834 -0.00436 -0.01006 0.00827 0.00012 189 2S -0.02969 -0.00958 -0.01784 0.01473 -0.00027 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00073 0.00145 88 4XY -0.00013 0.00035 0.00042 89 4XZ -0.00039 0.00006 -0.00009 0.00069 90 4YZ 0.00011 0.00004 0.00027 -0.00008 0.00065 91 7 H 1S -0.00535 0.00632 0.00350 0.00387 0.00211 92 2S -0.00515 0.00695 0.00520 0.00176 0.00393 93 8 H 1S -0.00257 0.00002 0.00085 0.00030 0.00058 94 2S -0.00387 -0.00050 0.00037 0.00117 0.00017 95 9 H 1S 0.00086 -0.00008 -0.00059 -0.00023 0.00041 96 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 97 10 H 1S -0.00155 0.00123 -0.00018 -0.00082 -0.00098 98 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 99 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 100 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 101 12 H 1S 0.01671 -0.00993 -0.00155 -0.00194 0.00170 102 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 103 13 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 104 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 105 14 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 106 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 107 15 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 108 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 109 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 110 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 111 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 112 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 113 3PX 0.00184 -0.00014 -0.00135 0.00369 0.00132 114 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 115 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 116 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 117 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 118 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 119 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 120 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 121 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 122 16 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 123 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 124 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 125 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 126 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 127 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 128 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 129 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 130 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 131 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 132 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 133 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 134 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 135 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 136 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 137 17 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 138 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 139 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 140 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 141 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 142 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 143 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 144 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 145 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 146 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 147 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 148 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 149 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 150 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 151 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 152 18 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 153 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 154 19 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 155 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 156 20 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 157 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 158 21 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 159 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 160 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 161 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 162 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 163 3S 0.00010 0.00027 -0.00047 0.00070 -0.00070 164 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 165 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 166 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 167 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 168 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 169 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 170 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 171 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 172 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 173 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 174 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 175 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 176 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 177 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 178 3S 0.00029 0.00151 0.00019 0.00050 0.00001 179 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 180 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 181 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 182 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 183 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 184 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 185 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 188 23 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 189 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02222 -0.02568 0.21693 94 2S -0.02568 -0.03291 0.17899 0.17164 95 9 H 1S -0.00941 -0.01833 -0.02290 -0.02724 0.21714 96 2S -0.02008 -0.02682 -0.02758 -0.03410 0.17586 97 10 H 1S 0.00342 0.01033 -0.00882 -0.02287 -0.01340 98 2S 0.00712 0.01814 -0.02135 -0.03822 -0.01059 99 11 H 1S -0.00882 -0.02287 0.00342 0.01033 -0.00724 100 2S -0.02135 -0.03822 0.00712 0.01814 -0.01154 101 12 H 1S -0.02290 -0.02724 -0.00941 -0.01833 0.00159 102 2S -0.02758 -0.03410 -0.02008 -0.02682 -0.00152 103 13 H 1S -0.00035 -0.00360 -0.00063 -0.00022 -0.00529 104 2S -0.00121 -0.00328 -0.00021 -0.00044 -0.01224 105 14 H 1S -0.00063 -0.00022 -0.00035 -0.00360 -0.00897 106 2S -0.00021 -0.00044 -0.00121 -0.00328 -0.00567 107 15 C 1S -0.00015 -0.00151 -0.00005 0.00058 -0.00154 108 2S -0.00040 0.00010 -0.00019 -0.00103 0.00206 109 2PX -0.00505 -0.01516 0.00044 0.00607 0.00479 110 2PY -0.00069 -0.00607 -0.00075 -0.00444 0.00970 111 2PZ 0.00682 0.00957 -0.00028 -0.00384 -0.00401 112 3S 0.00376 0.00975 -0.00200 -0.00662 0.02037 113 3PX -0.00141 -0.00671 -0.00181 0.00104 0.00386 114 3PY 0.00192 -0.00049 -0.00061 -0.00090 0.01136 115 3PZ 0.01246 0.01872 -0.00424 -0.00986 -0.00076 116 4XX 0.00035 0.00029 -0.00016 -0.00018 -0.00022 117 4YY -0.00008 -0.00018 -0.00019 -0.00042 0.00017 118 4ZZ 0.00003 0.00021 -0.00006 0.00012 -0.00023 119 4XY -0.00004 0.00046 -0.00041 -0.00102 0.00116 120 4XZ 0.00002 -0.00056 0.00004 0.00048 -0.00024 121 4YZ -0.00023 -0.00024 0.00040 0.00077 -0.00057 122 16 C 1S -0.00005 0.00058 -0.00015 -0.00151 0.00408 123 2S -0.00019 -0.00103 -0.00040 0.00010 -0.00633 124 2PX 0.00044 0.00607 -0.00505 -0.01516 0.01726 125 2PY 0.00075 0.00444 0.00069 0.00607 -0.01446 126 2PZ -0.00028 -0.00384 0.00682 0.00957 -0.00486 127 3S -0.00200 -0.00662 0.00376 0.00975 -0.02949 128 3PX -0.00181 0.00104 -0.00141 -0.00671 0.01402 129 3PY 0.00061 0.00090 -0.00192 0.00048 0.00485 130 3PZ -0.00424 -0.00986 0.01246 0.01872 -0.00815 131 4XX -0.00016 -0.00018 0.00035 0.00029 0.00033 132 4YY -0.00019 -0.00042 -0.00008 -0.00018 0.00113 133 4ZZ -0.00006 0.00012 0.00003 0.00021 -0.00055 134 4XY 0.00041 0.00102 0.00004 -0.00046 -0.00137 135 4XZ 0.00004 0.00048 0.00002 -0.00056 -0.00012 136 4YZ -0.00040 -0.00077 0.00023 0.00024 0.00127 137 17 C 1S 0.00003 -0.00020 0.00003 -0.00020 0.00003 138 2S 0.00031 0.00145 0.00031 0.00145 -0.00057 139 2PX -0.00016 -0.00178 -0.00016 -0.00178 -0.00048 140 2PY -0.00010 -0.00108 0.00010 0.00108 0.00079 141 2PZ 0.00118 0.00027 0.00118 0.00027 0.00234 142 3S 0.00015 0.00175 0.00015 0.00175 -0.00148 143 3PX 0.00114 0.00061 0.00114 0.00061 -0.00031 144 3PY 0.00068 0.00008 -0.00068 -0.00008 -0.00086 145 3PZ 0.00049 0.00033 0.00049 0.00033 0.00146 146 4XX -0.00009 -0.00015 -0.00009 -0.00015 -0.00016 147 4YY -0.00008 -0.00005 -0.00008 -0.00005 0.00008 148 4ZZ 0.00028 0.00025 0.00028 0.00025 0.00006 149 4XY -0.00019 -0.00050 0.00019 0.00050 0.00003 150 4XZ -0.00003 -0.00001 -0.00003 -0.00001 0.00021 151 4YZ 0.00017 0.00019 -0.00017 -0.00019 -0.00029 152 18 H 1S 0.00095 0.00361 -0.00193 -0.00036 -0.00805 153 2S -0.00010 0.00234 0.00431 0.00495 -0.00435 154 19 H 1S 0.00108 0.00093 0.00108 0.00093 0.00045 155 2S 0.00129 0.00051 0.00129 0.00051 0.00001 156 20 H 1S -0.00193 -0.00036 0.00095 0.00361 -0.00202 157 2S 0.00431 0.00495 -0.00010 0.00234 -0.00284 158 21 O 1S 0.00019 0.00148 -0.00010 -0.00077 0.00027 159 2S 0.00028 -0.00269 0.00005 0.00190 -0.00065 160 2PX 0.00315 0.00741 -0.00034 -0.00462 -0.00043 161 2PY -0.00017 -0.00120 0.00008 0.00423 -0.00414 162 2PZ -0.00405 -0.00151 -0.00141 -0.00298 0.00615 163 3S -0.00398 -0.00954 0.00234 0.00493 -0.00284 164 3PX 0.00455 0.00835 -0.00114 -0.00489 0.00000 165 3PY -0.00079 -0.00169 0.00026 0.00317 -0.00403 166 3PZ -0.00269 -0.00184 -0.00126 -0.00198 0.00529 167 4XX 0.00028 0.00063 -0.00010 -0.00028 -0.00014 168 4YY 0.00012 0.00018 -0.00015 0.00000 0.00004 169 4ZZ 0.00003 -0.00002 0.00007 0.00022 0.00006 170 4XY 0.00020 0.00051 -0.00012 -0.00030 -0.00017 171 4XZ -0.00012 -0.00021 0.00005 0.00015 0.00000 172 4YZ 0.00002 0.00026 0.00001 0.00001 -0.00008 173 22 O 1S -0.00010 -0.00077 0.00019 0.00148 0.00030 174 2S 0.00005 0.00190 0.00028 -0.00269 -0.00116 175 2PX -0.00034 -0.00462 0.00315 0.00741 0.00314 176 2PY -0.00008 -0.00423 0.00017 0.00120 -0.00246 177 2PZ -0.00141 -0.00298 -0.00405 -0.00151 -0.00083 178 3S 0.00234 0.00493 -0.00398 -0.00954 0.00162 179 3PX -0.00114 -0.00489 0.00455 0.00835 0.00071 180 3PY -0.00026 -0.00317 0.00079 0.00169 -0.00217 181 3PZ -0.00126 -0.00198 -0.00269 -0.00184 0.00107 182 4XX -0.00010 -0.00028 0.00028 0.00063 -0.00078 183 4YY -0.00015 0.00000 0.00012 0.00018 0.00045 184 4ZZ 0.00007 0.00022 0.00003 -0.00002 -0.00011 185 4XY 0.00012 0.00030 -0.00020 -0.00051 -0.00008 186 4XZ 0.00005 0.00015 -0.00012 -0.00021 -0.00013 187 4YZ -0.00001 -0.00001 -0.00002 -0.00026 0.00054 188 23 H 1S -0.00069 -0.00122 -0.00069 -0.00122 -0.00050 189 2S -0.00180 -0.00266 -0.00180 -0.00266 0.00055 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00728 0.21593 98 2S -0.00004 0.16994 0.16629 99 11 H 1S -0.01829 -0.02780 -0.03452 0.21593 100 2S -0.02512 -0.03452 -0.04557 0.16994 0.16629 101 12 H 1S -0.00152 -0.00724 -0.01154 -0.01340 -0.01059 102 2S -0.00431 -0.01829 -0.02512 -0.00728 -0.00004 103 13 H 1S -0.01306 0.01701 0.03245 -0.02500 -0.05356 104 2S -0.01808 0.03047 0.04130 -0.05205 -0.06141 105 14 H 1S -0.00497 -0.02500 -0.05356 0.01701 0.03245 106 2S -0.00227 -0.05205 -0.06141 0.03047 0.04130 107 15 C 1S -0.00261 0.00009 -0.00157 0.00211 0.00286 108 2S 0.00376 0.00017 0.00337 -0.00547 -0.00626 109 2PX -0.00464 -0.00264 0.00526 0.01758 0.01629 110 2PY 0.01643 -0.00031 0.00815 0.00282 0.00554 111 2PZ 0.00638 0.00231 -0.00187 -0.01903 -0.03806 112 3S 0.02622 0.00045 0.00730 -0.00477 -0.01425 113 3PX -0.00368 -0.00973 -0.00637 0.02014 0.02387 114 3PY 0.01246 -0.00532 0.00234 0.00650 0.00532 115 3PZ 0.00671 0.00139 0.00014 -0.01303 -0.02557 116 4XX 0.00028 0.00007 0.00073 -0.00031 -0.00458 117 4YY 0.00015 -0.00031 -0.00071 0.00002 0.00153 118 4ZZ -0.00083 0.00031 0.00002 0.00078 0.00305 119 4XY 0.00147 0.00088 0.00118 -0.00019 -0.00010 120 4XZ -0.00089 -0.00045 -0.00037 -0.00020 0.00037 121 4YZ -0.00104 -0.00090 -0.00185 0.00044 -0.00013 122 16 C 1S 0.00292 0.00211 0.00286 0.00009 -0.00157 123 2S -0.00297 -0.00547 -0.00626 0.00017 0.00337 124 2PX 0.02258 0.01758 0.01629 -0.00264 0.00526 125 2PY -0.01732 -0.00282 -0.00553 0.00031 -0.00815 126 2PZ -0.01181 -0.01903 -0.03806 0.00231 -0.00188 127 3S -0.02846 -0.00477 -0.01425 0.00045 0.00730 128 3PX 0.01788 0.02014 0.02387 -0.00973 -0.00637 129 3PY 0.00477 -0.00650 -0.00532 0.00532 -0.00234 130 3PZ -0.01338 -0.01303 -0.02557 0.00139 0.00014 131 4XX -0.00067 -0.00031 -0.00458 0.00007 0.00073 132 4YY 0.00161 0.00002 0.00153 -0.00031 -0.00071 133 4ZZ -0.00050 0.00078 0.00305 0.00031 0.00002 134 4XY -0.00017 0.00019 0.00010 -0.00088 -0.00118 135 4XZ 0.00045 -0.00020 0.00037 -0.00045 -0.00037 136 4YZ 0.00062 -0.00044 0.00013 0.00090 0.00185 137 17 C 1S 0.00032 0.00189 0.00272 0.00189 0.00272 138 2S -0.00251 -0.00551 -0.00661 -0.00551 -0.00661 139 2PX 0.00236 0.00398 0.00748 0.00398 0.00748 140 2PY -0.00311 -0.00120 -0.00477 0.00120 0.00477 141 2PZ 0.00527 -0.00844 -0.00091 -0.00844 -0.00090 142 3S -0.00319 -0.00814 -0.01073 -0.00814 -0.01073 143 3PX 0.00077 -0.00445 -0.00291 -0.00445 -0.00291 144 3PY -0.00099 0.00432 0.00731 -0.00432 -0.00731 145 3PZ 0.00219 -0.00992 0.00070 -0.00993 0.00070 146 4XX -0.00032 0.00060 0.00160 0.00060 0.00160 147 4YY 0.00021 0.00010 0.00113 0.00010 0.00113 148 4ZZ 0.00022 -0.00050 -0.00256 -0.00050 -0.00256 149 4XY -0.00011 -0.00027 -0.00147 0.00027 0.00147 150 4XZ 0.00000 -0.00039 -0.00094 -0.00039 -0.00094 151 4YZ 0.00036 0.00016 0.00313 -0.00016 -0.00313 152 18 H 1S -0.00416 0.00507 0.01532 -0.00257 -0.00622 153 2S -0.00116 0.00721 0.01712 -0.00697 -0.01089 154 19 H 1S 0.00163 -0.00402 -0.00757 -0.00402 -0.00757 155 2S 0.00218 0.00596 -0.00843 0.00596 -0.00843 156 20 H 1S -0.00894 -0.00257 -0.00622 0.00507 0.01532 157 2S -0.01062 -0.00697 -0.01089 0.00721 0.01712 158 21 O 1S 0.00064 -0.00029 -0.00186 0.00248 -0.00390 159 2S -0.00182 0.00059 0.00406 -0.00571 0.00520 160 2PX 0.00851 -0.00035 0.00767 0.00293 -0.03406 161 2PY -0.00308 -0.00238 0.00836 0.00146 -0.03726 162 2PZ 0.00135 0.00406 -0.00690 -0.00480 0.06462 163 3S -0.00272 0.00245 0.01129 -0.01334 0.00935 164 3PX 0.00714 0.00061 0.00768 -0.00015 -0.02980 165 3PY -0.00308 -0.00185 0.00727 -0.00175 -0.02634 166 3PZ 0.00040 0.00296 -0.00400 -0.00079 0.04874 167 4XX 0.00008 0.00050 0.00018 -0.00054 0.00006 168 4YY -0.00003 -0.00015 0.00006 -0.00055 -0.00276 169 4ZZ -0.00024 -0.00026 -0.00050 0.00098 0.00098 170 4XY 0.00002 0.00004 0.00018 0.00014 -0.00087 171 4XZ -0.00006 -0.00001 0.00031 -0.00117 -0.00114 172 4YZ -0.00028 -0.00004 -0.00058 -0.00064 0.00220 173 22 O 1S -0.00252 0.00248 -0.00390 -0.00029 -0.00186 174 2S 0.00539 -0.00571 0.00520 0.00059 0.00406 175 2PX -0.00053 0.00293 -0.03405 -0.00035 0.00767 176 2PY 0.00903 -0.00146 0.03725 0.00238 -0.00836 177 2PZ -0.00038 -0.00480 0.06462 0.00407 -0.00691 178 3S 0.01044 -0.01334 0.00935 0.00245 0.01129 179 3PX -0.00212 -0.00015 -0.02980 0.00061 0.00768 180 3PY 0.00531 0.00175 0.02633 0.00185 -0.00727 181 3PZ 0.00268 -0.00079 0.04875 0.00296 -0.00400 182 4XX -0.00088 -0.00054 0.00006 0.00050 0.00018 183 4YY -0.00030 -0.00055 -0.00276 -0.00015 0.00006 184 4ZZ 0.00018 0.00098 0.00098 -0.00026 -0.00050 185 4XY 0.00009 -0.00014 0.00087 -0.00004 -0.00018 186 4XZ 0.00014 -0.00117 -0.00114 -0.00001 0.00031 187 4YZ 0.00048 0.00064 -0.00220 0.00004 0.00058 188 23 H 1S -0.00051 0.00266 0.00726 0.00266 0.00726 189 2S 0.00036 0.00703 0.01618 0.00703 0.01618 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.17586 0.16496 103 13 H 1S -0.00897 -0.00497 0.21529 104 2S -0.00567 -0.00227 0.17308 0.15893 105 14 H 1S -0.00529 -0.01306 -0.03157 -0.03521 0.21529 106 2S -0.01224 -0.01808 -0.03521 -0.03751 0.17308 107 15 C 1S 0.00408 0.00292 -0.00263 -0.00281 -0.00124 108 2S -0.00633 -0.00297 0.00805 0.01140 0.00104 109 2PX 0.01726 0.02258 -0.02530 -0.05155 -0.00605 110 2PY 0.01446 0.01732 -0.00457 -0.00982 -0.00206 111 2PZ -0.00486 -0.01181 0.02413 0.05074 0.00384 112 3S -0.02949 -0.02846 -0.00338 0.00315 0.01568 113 3PX 0.01402 0.01788 -0.03165 -0.05085 0.00285 114 3PY -0.00485 -0.00477 -0.01292 -0.02065 0.00665 115 3PZ -0.00815 -0.01338 0.01169 0.02778 0.00496 116 4XX 0.00033 -0.00067 0.00042 0.00044 -0.00012 117 4YY 0.00113 0.00161 -0.00006 -0.00015 0.00032 118 4ZZ -0.00055 -0.00050 -0.00121 -0.00139 -0.00055 119 4XY 0.00137 0.00017 -0.00009 -0.00071 -0.00128 120 4XZ -0.00012 0.00045 0.00067 0.00051 0.00051 121 4YZ -0.00127 -0.00062 0.00002 0.00017 0.00126 122 16 C 1S -0.00154 -0.00261 -0.00124 -0.00321 -0.00263 123 2S 0.00206 0.00376 0.00104 0.00341 0.00805 124 2PX 0.00479 -0.00464 -0.00605 -0.02198 -0.02530 125 2PY -0.00970 -0.01643 0.00206 0.00740 0.00456 126 2PZ -0.00401 0.00638 0.00384 0.01342 0.02413 127 3S 0.02037 0.02622 0.01568 0.02780 -0.00338 128 3PX 0.00386 -0.00368 0.00285 -0.00370 -0.03165 129 3PY -0.01136 -0.01246 -0.00665 -0.00430 0.01292 130 3PZ -0.00076 0.00671 0.00496 0.01380 0.01169 131 4XX -0.00022 0.00028 -0.00012 0.00000 0.00042 132 4YY 0.00017 0.00015 0.00033 0.00033 -0.00006 133 4ZZ -0.00023 -0.00083 -0.00055 -0.00111 -0.00121 134 4XY -0.00116 -0.00147 0.00128 0.00256 0.00009 135 4XZ -0.00024 -0.00089 0.00051 0.00036 0.00067 136 4YZ 0.00057 0.00104 -0.00126 -0.00282 -0.00002 137 17 C 1S 0.00003 0.00032 -0.00112 -0.00173 -0.00112 138 2S -0.00057 -0.00251 0.00309 0.00488 0.00309 139 2PX -0.00048 0.00236 -0.00253 -0.00484 -0.00253 140 2PY -0.00079 0.00310 0.00028 0.00067 -0.00028 141 2PZ 0.00234 0.00527 0.00309 0.00346 0.00309 142 3S -0.00148 -0.00319 0.00385 0.00721 0.00385 143 3PX -0.00031 0.00077 0.00343 0.00266 0.00343 144 3PY 0.00086 0.00099 0.00247 0.00303 -0.00247 145 3PZ 0.00146 0.00219 0.00143 -0.00121 0.00143 146 4XX -0.00016 -0.00032 -0.00055 -0.00102 -0.00055 147 4YY 0.00008 0.00021 -0.00024 -0.00017 -0.00024 148 4ZZ 0.00006 0.00022 0.00048 0.00083 0.00048 149 4XY -0.00003 0.00011 -0.00017 0.00030 0.00017 150 4XZ 0.00021 0.00000 0.00018 0.00000 0.00018 151 4YZ 0.00029 -0.00036 0.00005 -0.00052 -0.00005 152 18 H 1S -0.00202 -0.00894 0.00248 0.00447 -0.00511 153 2S -0.00284 -0.01062 0.00465 0.00591 -0.00977 154 19 H 1S 0.00045 0.00163 0.00356 0.00648 0.00356 155 2S 0.00001 0.00218 0.00220 0.00730 0.00220 156 20 H 1S -0.00805 -0.00416 -0.00511 -0.01065 0.00248 157 2S -0.00435 -0.00116 -0.00977 -0.01718 0.00465 158 21 O 1S 0.00030 -0.00252 -0.00177 -0.00270 0.00058 159 2S -0.00116 0.00539 0.00218 0.00417 -0.00069 160 2PX 0.00314 -0.00053 -0.00116 -0.00434 0.00313 161 2PY 0.00246 -0.00903 0.00041 -0.00207 0.00275 162 2PZ -0.00083 -0.00038 -0.00143 0.00442 -0.00693 163 3S 0.00162 0.01044 0.01642 0.01705 -0.00618 164 3PX 0.00071 -0.00212 -0.00081 -0.00079 0.00336 165 3PY 0.00216 -0.00531 0.00446 0.00282 0.00131 166 3PZ 0.00107 0.00268 -0.00561 -0.00445 -0.00539 167 4XX -0.00078 -0.00088 0.00021 0.00130 0.00001 168 4YY 0.00045 -0.00030 -0.00032 -0.00042 0.00039 169 4ZZ -0.00011 0.00018 -0.00157 -0.00217 0.00029 170 4XY 0.00008 -0.00009 -0.00023 -0.00037 0.00021 171 4XZ -0.00013 0.00014 0.00065 0.00047 -0.00001 172 4YZ -0.00054 -0.00048 0.00028 0.00097 0.00001 173 22 O 1S 0.00027 0.00064 0.00058 0.00121 -0.00177 174 2S -0.00065 -0.00182 -0.00069 -0.00104 0.00218 175 2PX -0.00043 0.00851 0.00313 0.01766 -0.00116 176 2PY 0.00413 0.00308 -0.00275 -0.00414 -0.00040 177 2PZ 0.00615 0.00135 -0.00693 -0.02058 -0.00143 178 3S -0.00284 -0.00272 -0.00618 -0.01248 0.01642 179 3PX 0.00000 0.00714 0.00336 0.01546 -0.00081 180 3PY 0.00403 0.00308 -0.00131 -0.00143 -0.00446 181 3PZ 0.00529 0.00040 -0.00539 -0.01641 -0.00561 182 4XX -0.00014 0.00008 0.00001 0.00042 0.00021 183 4YY 0.00004 -0.00003 0.00039 0.00062 -0.00032 184 4ZZ 0.00006 -0.00024 0.00029 0.00048 -0.00157 185 4XY 0.00017 -0.00002 -0.00021 -0.00079 0.00023 186 4XZ 0.00000 -0.00006 -0.00001 -0.00008 0.00065 187 4YZ 0.00008 0.00028 -0.00001 0.00007 -0.00028 188 23 H 1S -0.00050 -0.00051 -0.00241 -0.00501 -0.00241 189 2S 0.00055 0.00036 -0.00705 -0.01208 -0.00705 106 107 108 109 110 106 2S 0.15893 107 15 C 1S -0.00321 2.05255 108 2S 0.00341 -0.06339 0.33288 109 2PX -0.02198 0.01203 -0.01861 0.34621 110 2PY -0.00740 -0.00506 0.01303 0.04016 0.43070 111 2PZ 0.01342 0.01511 -0.02721 -0.02220 0.02891 112 3S 0.02780 -0.17203 0.27247 -0.09835 -0.01737 113 3PX -0.00370 0.01878 -0.03665 0.16687 0.03759 114 3PY 0.00430 -0.00736 0.00397 0.05104 0.12294 115 3PZ 0.01380 0.00255 -0.01649 -0.08141 -0.01244 116 4XX 0.00000 -0.01177 -0.01308 0.01164 -0.00701 117 4YY 0.00033 -0.01725 -0.00102 -0.00623 0.01259 118 4ZZ -0.00111 -0.01571 -0.00410 -0.00185 -0.01309 119 4XY -0.00256 -0.00020 0.00034 -0.00113 0.00496 120 4XZ 0.00036 -0.00345 0.00809 0.01110 -0.00916 121 4YZ 0.00282 -0.00424 0.00860 -0.01262 -0.00768 122 16 C 1S -0.00281 0.01947 -0.04084 0.01341 -0.08014 123 2S 0.01140 -0.04084 0.07592 -0.02567 0.16580 124 2PX -0.05155 0.01341 -0.02567 0.16094 0.01946 125 2PY 0.00981 0.08014 -0.16581 -0.01944 -0.32464 126 2PZ 0.05074 -0.01089 0.01980 -0.09938 -0.03391 127 3S 0.00315 0.00180 0.02807 -0.06625 0.12944 128 3PX -0.05085 0.00344 -0.00368 0.09438 0.01941 129 3PY 0.02064 0.00105 -0.01885 -0.02432 -0.10079 130 3PZ 0.02778 -0.00661 0.01818 -0.06395 -0.03852 131 4XX 0.00044 0.00325 -0.00759 -0.00048 -0.01313 132 4YY -0.00015 -0.00653 0.01193 0.00092 0.00799 133 4ZZ -0.00139 0.00346 -0.00793 0.00233 -0.01007 134 4XY 0.00071 -0.00007 0.00037 -0.01259 -0.00563 135 4XZ 0.00051 0.00133 -0.00307 0.00017 -0.00448 136 4YZ -0.00017 -0.00081 0.00171 0.00512 -0.00037 137 17 C 1S -0.00173 -0.00316 0.00630 0.00913 0.01013 138 2S 0.00488 0.00672 -0.01756 -0.02190 -0.03218 139 2PX -0.00484 -0.01114 0.02806 0.02079 0.01614 140 2PY -0.00067 -0.00217 0.00474 0.03532 -0.02089 141 2PZ 0.00346 -0.00867 0.02121 0.03432 0.02129 142 3S 0.00721 0.00988 -0.01226 -0.04432 -0.05396 143 3PX 0.00266 -0.00779 0.01317 0.01209 0.01700 144 3PY -0.00303 -0.00139 0.00393 0.03155 -0.00044 145 3PZ -0.00121 -0.00626 0.01180 0.03283 0.02178 146 4XX -0.00102 -0.00162 0.00400 0.00735 -0.00167 147 4YY -0.00017 0.00217 -0.00464 -0.00888 0.00517 148 4ZZ 0.00083 -0.00094 0.00176 0.00479 -0.00206 149 4XY -0.00030 -0.00103 0.00239 0.00015 0.00067 150 4XZ 0.00000 -0.00005 0.00046 0.00444 0.00026 151 4YZ 0.00052 0.00000 -0.00012 0.00418 0.00250 152 18 H 1S -0.01065 0.01654 -0.03648 0.00832 -0.04030 153 2S -0.01718 0.02040 -0.04063 0.02370 -0.06419 154 19 H 1S 0.00648 -0.00289 0.00539 0.00914 -0.00538 155 2S 0.00730 -0.00328 0.00504 -0.00171 -0.00261 156 20 H 1S 0.00447 -0.06820 0.13566 -0.06571 -0.16920 157 2S 0.00591 -0.02048 0.04650 -0.03958 -0.13844 158 21 O 1S 0.00121 0.00537 -0.00687 -0.02953 0.00841 159 2S -0.00104 -0.00988 0.01073 0.06594 -0.03095 160 2PX 0.01766 0.05683 -0.12361 -0.16694 0.10827 161 2PY 0.00414 -0.02548 0.05165 0.09863 -0.03173 162 2PZ -0.02058 0.03477 -0.06519 -0.17835 0.07011 163 3S -0.01248 0.01404 -0.02641 0.06861 0.04043 164 3PX 0.01546 0.02658 -0.06226 -0.10154 0.05729 165 3PY 0.00143 -0.01946 0.03878 0.07146 -0.02507 166 3PZ -0.01641 0.01512 -0.02655 -0.08265 0.04075 167 4XX 0.00042 -0.00369 0.00605 -0.00641 -0.00823 168 4YY 0.00062 -0.00126 0.00120 0.00465 -0.00050 169 4ZZ 0.00048 -0.00089 0.00060 0.00145 -0.00487 170 4XY 0.00079 0.00464 -0.00907 -0.00889 -0.00340 171 4XZ -0.00008 -0.00489 0.00780 0.00431 -0.00310 172 4YZ -0.00007 0.00277 -0.00504 -0.01129 -0.00410 173 22 O 1S -0.00270 -0.00177 0.00495 0.00446 0.00162 174 2S 0.00417 0.00716 -0.01548 -0.01397 -0.01727 175 2PX -0.00434 -0.01256 0.02728 -0.07077 0.03230 176 2PY 0.00207 -0.02271 0.05458 0.02755 0.05833 177 2PZ 0.00442 0.00199 -0.00189 0.04870 0.05124 178 3S 0.01705 -0.00338 -0.00398 -0.01642 0.03056 179 3PX -0.00079 -0.00941 0.02046 -0.05944 0.01727 180 3PY -0.00282 -0.01410 0.03728 0.01911 0.03996 181 3PZ -0.00445 0.00235 -0.00387 0.04773 0.04116 182 4XX 0.00130 0.00027 0.00014 -0.00368 -0.00416 183 4YY -0.00042 0.00139 -0.00234 -0.00091 -0.00258 184 4ZZ -0.00217 0.00102 -0.00120 0.00256 -0.00250 185 4XY 0.00037 -0.00070 0.00154 0.00302 0.00608 186 4XZ 0.00047 -0.00006 0.00020 0.00117 0.00136 187 4YZ -0.00097 -0.00092 0.00213 0.00170 0.00473 188 23 H 1S -0.00501 -0.00481 0.01265 0.02127 -0.00579 189 2S -0.01208 -0.00437 0.01311 0.04174 0.00554 111 112 113 114 115 111 2PZ 0.37882 112 3S -0.02415 0.30238 113 3PX -0.08370 -0.06511 0.10751 114 3PY -0.01636 0.00109 0.03278 0.05314 115 3PZ 0.16318 0.01251 -0.06592 -0.02382 0.09326 116 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 117 4YY -0.00557 -0.00002 0.00019 0.00171 -0.00081 118 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 119 4XY -0.01134 0.00070 0.00125 0.00301 -0.00445 120 4XZ 0.00702 0.00261 0.00148 -0.00128 -0.00019 121 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 122 16 C 1S -0.01090 0.00180 0.00344 -0.00105 -0.00661 123 2S 0.01983 0.02807 -0.00368 0.01885 0.01819 124 2PX -0.09938 -0.06625 0.09438 0.02433 -0.06394 125 2PY 0.03383 -0.12945 -0.01940 -0.10079 0.03849 126 2PZ 0.11880 0.07404 -0.05076 -0.02189 0.08165 127 3S 0.07407 -0.02100 -0.03377 -0.01284 0.04415 128 3PX -0.05076 -0.03377 0.04459 0.01943 -0.04240 129 3PY 0.02186 0.01283 -0.01943 -0.02619 0.02097 130 3PZ 0.08165 0.04416 -0.04241 -0.02099 0.04847 131 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 132 4YY 0.00075 0.01064 -0.00134 0.00339 -0.00132 133 4ZZ -0.00379 -0.00858 0.00231 -0.00223 -0.00162 134 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 135 4XZ -0.00034 -0.00378 0.00085 -0.00203 0.00145 136 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 137 17 C 1S 0.00381 0.00669 0.00601 0.00710 0.00104 138 2S -0.01022 -0.01117 -0.01084 -0.01566 0.00196 139 2PX 0.02271 0.04028 0.01473 0.00224 0.01112 140 2PY 0.03814 -0.01438 0.02862 -0.02780 0.02414 141 2PZ 0.00270 0.03383 0.02619 0.00358 -0.00501 142 3S -0.00800 0.00698 -0.01789 -0.02482 0.01202 143 3PX 0.01128 0.01714 0.00544 0.00311 0.00396 144 3PY 0.03294 -0.00616 0.00958 -0.00233 0.00880 145 3PZ -0.00870 0.00195 0.02106 0.01081 -0.01370 146 4XX 0.00611 0.00033 0.00299 0.00046 0.00146 147 4YY -0.00718 -0.00421 -0.00355 0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00141 -0.00190 0.00199 149 4XY 0.00422 0.00110 -0.00345 0.00190 -0.00079 150 4XZ 0.00260 -0.00244 0.00084 0.00049 0.00027 151 4YZ -0.00145 0.00005 0.00060 0.00299 -0.00241 152 18 H 1S 0.00080 -0.06701 -0.00165 -0.02501 0.00188 153 2S 0.00812 -0.06604 0.00133 -0.02217 -0.00048 154 19 H 1S 0.00811 0.02075 0.00567 -0.00940 0.00564 155 2S 0.02479 0.03060 -0.00489 -0.01305 0.01770 156 20 H 1S -0.19078 0.13823 -0.01463 -0.04024 -0.06420 157 2S -0.15451 0.05310 0.00285 -0.02943 -0.05323 158 21 O 1S -0.02341 0.03365 0.00189 0.00926 0.00881 159 2S 0.05396 -0.08565 -0.00925 -0.02010 -0.02161 160 2PX -0.18560 -0.03606 -0.02842 0.01432 -0.03342 161 2PY 0.06629 0.06384 -0.00553 0.04341 0.00081 162 2PZ -0.08071 -0.07377 -0.06529 0.02437 -0.03147 163 3S 0.04688 -0.14502 -0.00221 -0.00576 -0.03622 164 3PX -0.09088 -0.00386 -0.02098 0.00217 -0.00671 165 3PY 0.04913 0.04535 -0.00212 0.02760 0.00144 166 3PZ -0.05659 -0.04401 -0.02602 0.01818 -0.02934 167 4XX 0.00739 0.00707 -0.00484 -0.00343 0.00474 168 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 169 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 170 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 171 4XZ -0.00128 0.00512 0.00090 -0.00065 -0.00175 172 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 173 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 174 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 175 2PX 0.04712 0.05189 -0.06279 -0.00293 0.01592 176 2PY 0.01346 0.11866 -0.01224 0.07006 -0.02566 177 2PZ -0.05768 -0.02256 0.04579 0.04206 -0.04494 178 3S -0.06696 0.06991 0.00818 0.04760 -0.02588 179 3PX 0.04763 0.04012 -0.05124 -0.00649 0.02008 180 3PY 0.01437 0.07833 -0.00944 0.04593 -0.01464 181 3PZ -0.05146 -0.02362 0.03962 0.03261 -0.03821 182 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 183 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 184 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 185 4XY -0.00086 -0.00119 0.00307 0.00152 -0.00019 186 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 187 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 188 23 H 1S 0.01276 0.00898 0.01226 -0.00076 0.00419 189 2S 0.00480 -0.00497 0.02403 0.00972 -0.00720 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00081 0.00124 118 4ZZ -0.00057 -0.00025 0.00166 119 4XY -0.00068 0.00016 0.00042 0.00146 120 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 121 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 122 16 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 123 2S -0.00759 0.01193 -0.00793 -0.00037 -0.00307 124 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 125 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00447 126 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 127 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 128 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 129 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 130 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 131 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 132 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 133 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 134 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 135 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 136 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 137 17 C 1S -0.00035 0.00097 -0.00113 -0.00146 -0.00001 138 2S 0.00108 -0.00241 0.00264 0.00346 0.00075 139 2PX -0.00362 0.00310 -0.00371 -0.00387 -0.00315 140 2PY 0.00023 0.00266 -0.00409 -0.00847 -0.00029 141 2PZ -0.00250 0.00292 -0.00353 -0.00433 -0.00327 142 3S -0.00051 -0.00182 0.00211 0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 -0.00192 -0.00119 144 3PY 0.00246 -0.00101 -0.00153 -0.00349 0.00166 145 3PZ -0.00320 0.00132 0.00096 -0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 -0.00034 -0.00016 149 4XY -0.00018 -0.00054 0.00069 0.00038 0.00063 150 4XZ 0.00044 -0.00030 0.00005 0.00031 0.00052 151 4YZ 0.00103 -0.00052 -0.00027 0.00013 0.00022 152 18 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 153 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 154 19 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 156 20 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 157 2S -0.00710 -0.00114 0.00780 0.00503 0.00106 158 21 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 159 2S 0.01019 -0.00416 0.00085 -0.01094 0.01112 160 2PX 0.00967 0.00837 -0.01393 0.00471 -0.02047 161 2PY 0.01247 -0.01670 0.00483 0.01114 0.01396 162 2PZ -0.02966 0.00734 0.02319 0.01508 -0.00360 163 3S 0.00915 -0.00037 -0.00055 -0.01372 0.00833 164 3PX 0.00838 0.00484 -0.01120 0.00028 -0.01239 165 3PY 0.00827 -0.01109 0.00301 0.00645 0.00952 166 3PZ -0.02041 0.00453 0.01586 0.00910 -0.00057 167 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 168 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 169 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 170 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 171 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 172 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 173 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 174 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 175 2PX 0.00181 -0.00322 -0.00312 -0.00571 -0.00061 176 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 177 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 178 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 179 3PX 0.00099 -0.00167 -0.00235 -0.00407 -0.00033 180 3PY 0.00137 -0.00393 -0.00032 -0.00219 0.00114 181 3PZ -0.00131 -0.00071 0.00283 -0.00122 0.00133 182 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 183 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 184 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 185 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 186 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 187 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 188 23 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 189 2S -0.00561 0.00070 0.00374 0.00106 0.00177 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00081 2.05255 123 2S -0.00171 -0.06339 0.33288 124 2PX -0.00512 0.01203 -0.01861 0.34621 125 2PY -0.00038 0.00506 -0.01302 -0.04015 0.43071 126 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02890 127 3S -0.00373 -0.17203 0.27248 -0.09835 0.01738 128 3PX -0.00559 0.01878 -0.03665 0.16687 -0.03758 129 3PY 0.00309 0.00736 -0.00397 -0.05102 0.12293 130 3PZ 0.00723 0.00255 -0.01649 -0.08141 0.01243 131 4XX 0.00047 -0.01177 -0.01308 0.01164 0.00700 132 4YY -0.00007 -0.01725 -0.00101 -0.00623 -0.01259 133 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01308 134 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 135 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 136 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00769 137 17 C 1S -0.00168 -0.00316 0.00630 0.00913 -0.01013 138 2S 0.00394 0.00672 -0.01756 -0.02190 0.03218 139 2PX -0.00431 -0.01114 0.02806 0.02079 -0.01614 140 2PY -0.00716 0.00217 -0.00474 -0.03532 -0.02088 141 2PZ -0.00376 -0.00866 0.02121 0.03431 -0.02129 142 3S 0.00486 0.00988 -0.01226 -0.04432 0.05396 143 3PX -0.00177 -0.00779 0.01317 0.01209 -0.01700 144 3PY -0.00356 0.00139 -0.00393 -0.03155 -0.00043 145 3PZ -0.00290 -0.00626 0.01180 0.03283 -0.02178 146 4XX -0.00033 -0.00162 0.00400 0.00735 0.00167 147 4YY -0.00008 0.00217 -0.00464 -0.00888 -0.00517 148 4ZZ 0.00022 -0.00094 0.00176 0.00479 0.00206 149 4XY -0.00005 0.00103 -0.00239 -0.00015 0.00067 150 4XZ 0.00015 -0.00005 0.00046 0.00444 -0.00026 151 4YZ 0.00040 0.00000 0.00012 -0.00418 0.00250 152 18 H 1S -0.00732 -0.06820 0.13566 -0.06571 0.16923 153 2S -0.00649 -0.02048 0.04650 -0.03958 0.13846 154 19 H 1S 0.00070 -0.00289 0.00539 0.00914 0.00537 155 2S 0.00148 -0.00328 0.00504 -0.00171 0.00261 156 20 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 157 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 158 21 O 1S 0.00418 -0.00177 0.00495 0.00446 -0.00162 159 2S -0.00916 0.00716 -0.01548 -0.01397 0.01727 160 2PX 0.01404 -0.01256 0.02728 -0.07077 -0.03231 161 2PY 0.00988 0.02271 -0.05458 -0.02756 0.05834 162 2PZ -0.00087 0.00200 -0.00190 0.04870 -0.05122 163 3S -0.01643 -0.00338 -0.00398 -0.01642 -0.03055 164 3PX 0.00876 -0.00941 0.02046 -0.05944 -0.01728 165 3PY 0.00552 0.01410 -0.03728 -0.01912 0.03997 166 3PZ -0.00239 0.00235 -0.00388 0.04773 -0.04114 167 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 168 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 169 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 170 4XY 0.00054 0.00070 -0.00154 -0.00302 0.00608 171 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 172 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 173 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 174 2S 0.00048 -0.00988 0.01073 0.06594 0.03094 175 2PX -0.00497 0.05683 -0.12361 -0.16694 -0.10824 176 2PY -0.00300 0.02547 -0.05164 -0.09860 -0.03170 177 2PZ -0.00360 0.03477 -0.06520 -0.17837 -0.07010 178 3S 0.00023 0.01404 -0.02641 0.06861 -0.04044 179 3PX -0.00223 0.02658 -0.06226 -0.10154 -0.05727 180 3PY -0.00193 0.01945 -0.03877 -0.07144 -0.02505 181 3PZ -0.00308 0.01512 -0.02656 -0.08266 -0.04074 182 4XX 0.00020 -0.00369 0.00605 -0.00641 0.00823 183 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 184 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 185 4XY 0.00023 -0.00464 0.00907 0.00889 -0.00340 186 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 187 4YZ -0.00002 -0.00277 0.00504 0.01130 -0.00410 188 23 H 1S -0.00170 -0.00481 0.01265 0.02127 0.00579 189 2S -0.00353 -0.00437 0.01311 0.04174 -0.00554 126 127 128 129 130 126 2PZ 0.37881 127 3S -0.02415 0.30239 128 3PX -0.08371 -0.06511 0.10751 129 3PY 0.01635 -0.00109 -0.03277 0.05313 130 3PZ 0.16318 0.01251 -0.06593 0.02381 0.09327 131 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 134 4XY 0.01134 -0.00070 -0.00125 0.00301 0.00445 135 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 136 4YZ 0.00937 -0.01358 0.00465 -0.00212 0.00057 137 17 C 1S 0.00381 0.00669 0.00601 -0.00710 0.00104 138 2S -0.01021 -0.01117 -0.01084 0.01566 0.00196 139 2PX 0.02271 0.04028 0.01473 -0.00224 0.01112 140 2PY -0.03815 0.01438 -0.02863 -0.02780 -0.02414 141 2PZ 0.00269 0.03383 0.02618 -0.00358 -0.00501 142 3S -0.00799 0.00698 -0.01789 0.02482 0.01202 143 3PX 0.01128 0.01714 0.00544 -0.00311 0.00396 144 3PY -0.03294 0.00616 -0.00959 -0.00233 -0.00879 145 3PZ -0.00871 0.00195 0.02106 -0.01080 -0.01370 146 4XX 0.00611 0.00033 0.00299 -0.00046 0.00146 147 4YY -0.00719 -0.00421 -0.00355 -0.00211 -0.00332 148 4ZZ 0.00340 0.00360 0.00141 0.00190 0.00199 149 4XY -0.00422 -0.00110 0.00345 0.00190 0.00079 150 4XZ 0.00260 -0.00244 0.00084 -0.00049 0.00027 151 4YZ 0.00145 -0.00005 -0.00061 0.00299 0.00240 152 18 H 1S -0.19075 0.13823 -0.01463 0.04025 -0.06419 153 2S -0.15449 0.05310 0.00285 0.02944 -0.05323 154 19 H 1S 0.00811 0.02075 0.00567 0.00940 0.00565 155 2S 0.02480 0.03060 -0.00489 0.01304 0.01770 156 20 H 1S 0.00081 -0.06701 -0.00165 0.02501 0.00188 157 2S 0.00813 -0.06604 0.00133 0.02217 -0.00048 158 21 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 159 2S -0.01589 0.03953 -0.00018 -0.01381 0.00415 160 2PX 0.04712 0.05189 -0.06279 0.00293 0.01592 161 2PY -0.01344 -0.11865 0.01223 0.07006 0.02568 162 2PZ -0.05769 -0.02258 0.04579 -0.04204 -0.04494 163 3S -0.06696 0.06991 0.00818 -0.04760 -0.02589 164 3PX 0.04762 0.04012 -0.05124 0.00649 0.02008 165 3PY -0.01435 -0.07833 0.00943 0.04594 0.01465 166 3PZ -0.05147 -0.02363 0.03962 -0.03260 -0.03821 167 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 168 4YY 0.00126 -0.00668 -0.00009 0.00370 0.00190 169 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 170 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 171 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 172 4YZ -0.00040 -0.00089 -0.00049 0.00056 -0.00013 173 22 O 1S -0.02341 0.03365 0.00189 -0.00926 0.00881 174 2S 0.05396 -0.08565 -0.00925 0.02010 -0.02161 175 2PX -0.18562 -0.03606 -0.02842 -0.01432 -0.03342 176 2PY -0.06629 -0.06383 0.00554 0.04341 -0.00080 177 2PZ -0.08074 -0.07378 -0.06529 -0.02436 -0.03147 178 3S 0.04687 -0.14502 -0.00221 0.00576 -0.03622 179 3PX -0.09089 -0.00386 -0.02098 -0.00217 -0.00671 180 3PY -0.04913 -0.04534 0.00213 0.02760 -0.00143 181 3PZ -0.05660 -0.04402 -0.02602 -0.01817 -0.02935 182 4XX 0.00739 0.00707 -0.00484 0.00343 0.00474 183 4YY 0.00290 0.00255 0.00001 -0.00238 0.00049 184 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 185 4XY 0.01056 0.00459 0.00132 -0.00224 0.00177 186 4XZ -0.00128 0.00512 0.00090 0.00065 -0.00175 187 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 188 23 H 1S 0.01276 0.00898 0.01226 0.00076 0.00419 189 2S 0.00480 -0.00497 0.02403 -0.00972 -0.00720 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY 0.00068 -0.00016 -0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 136 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 137 17 C 1S -0.00035 0.00097 -0.00113 0.00146 -0.00001 138 2S 0.00108 -0.00241 0.00264 -0.00346 0.00075 139 2PX -0.00362 0.00310 -0.00371 0.00387 -0.00315 140 2PY -0.00023 -0.00266 0.00409 -0.00847 0.00029 141 2PZ -0.00250 0.00292 -0.00353 0.00433 -0.00327 142 3S -0.00051 -0.00181 0.00211 -0.00259 -0.00119 143 3PX 0.00005 0.00128 -0.00287 0.00192 -0.00119 144 3PY -0.00246 0.00101 0.00153 -0.00349 -0.00166 145 3PZ -0.00320 0.00132 0.00096 0.00042 0.00022 146 4XX -0.00073 -0.00007 0.00058 -0.00016 0.00060 147 4YY -0.00023 0.00019 0.00040 -0.00003 -0.00024 148 4ZZ 0.00112 -0.00013 -0.00110 0.00034 -0.00016 149 4XY 0.00018 0.00054 -0.00069 0.00038 -0.00063 150 4XZ 0.00044 -0.00030 0.00005 -0.00031 0.00052 151 4YZ -0.00103 0.00052 0.00027 0.00013 -0.00022 152 18 H 1S -0.01030 -0.00133 0.00727 -0.00491 0.00219 153 2S -0.00710 -0.00114 0.00780 -0.00503 0.00106 154 19 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 155 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 156 20 H 1S 0.00286 0.00066 0.00200 0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 158 21 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 159 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 160 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 161 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 162 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 163 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 164 3PX 0.00099 -0.00167 -0.00235 0.00407 -0.00033 165 3PY -0.00137 0.00393 0.00032 -0.00219 -0.00114 166 3PZ -0.00132 -0.00071 0.00284 0.00122 0.00133 167 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 168 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 169 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 170 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 171 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 172 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 173 22 O 1S -0.00408 0.00187 -0.00015 -0.00472 -0.00482 174 2S 0.01019 -0.00417 0.00085 0.01094 0.01112 175 2PX 0.00967 0.00838 -0.01394 -0.00470 -0.02047 176 2PY -0.01247 0.01669 -0.00483 0.01114 -0.01396 177 2PZ -0.02966 0.00734 0.02319 -0.01508 -0.00360 178 3S 0.00915 -0.00037 -0.00054 0.01372 0.00833 179 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 180 3PY -0.00827 0.01108 -0.00301 0.00645 -0.00951 181 3PZ -0.02041 0.00453 0.01586 -0.00909 -0.00057 182 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 183 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 184 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 185 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 186 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 187 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 188 23 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 189 2S -0.00561 0.00070 0.00374 -0.00106 0.00177 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00168 2.04980 138 2S -0.00394 -0.06512 0.34291 139 2PX 0.00431 -0.01454 0.02587 0.42805 140 2PY -0.00716 0.00000 0.00000 0.00000 0.29269 141 2PZ 0.00376 -0.01514 0.02464 -0.04321 -0.00001 142 3S -0.00486 -0.14988 0.26010 0.04455 0.00000 143 3PX 0.00177 -0.00856 0.01867 0.15540 0.00000 144 3PY -0.00356 0.00000 0.00000 0.00000 0.07096 145 3PZ 0.00290 -0.01236 0.02305 -0.00828 -0.00001 146 4XX 0.00033 -0.01782 0.00026 0.02407 0.00000 147 4YY 0.00008 -0.01312 -0.01025 -0.01562 0.00000 148 4ZZ -0.00022 -0.01764 -0.00043 -0.01022 0.00000 149 4XY -0.00005 0.00000 0.00000 0.00000 -0.02088 150 4XZ -0.00015 0.00060 -0.00098 -0.01140 0.00000 151 4YZ 0.00040 0.00000 0.00000 0.00000 -0.02050 152 18 H 1S -0.01375 -0.00735 0.02026 -0.01911 0.03007 153 2S -0.00999 -0.00777 0.02246 -0.02697 0.03202 154 19 H 1S -0.00070 -0.05992 0.12294 -0.07219 -0.00002 155 2S -0.00148 -0.01152 0.03386 -0.08281 -0.00002 156 20 H 1S 0.00732 -0.00735 0.02026 -0.01911 -0.03006 157 2S 0.00649 -0.00777 0.02246 -0.02697 -0.03201 158 21 O 1S 0.00025 0.00354 -0.00182 0.01529 0.02798 159 2S -0.00048 -0.00656 0.00256 -0.03725 -0.06678 160 2PX 0.00497 -0.02523 0.05125 -0.05310 -0.12286 161 2PY -0.00300 -0.05976 0.13128 -0.13976 -0.21995 162 2PZ 0.00360 -0.02423 0.04942 -0.05329 -0.13960 163 3S -0.00023 0.02100 -0.05475 -0.02476 -0.03596 164 3PX 0.00223 -0.00730 0.01639 -0.03746 -0.04929 165 3PY -0.00193 -0.03520 0.07588 -0.08011 -0.13390 166 3PZ 0.00308 -0.00646 0.01413 -0.01332 -0.06661 167 4XX -0.00020 0.00031 -0.00092 0.00985 0.00249 168 4YY -0.00029 -0.00712 0.01321 -0.01103 -0.01050 169 4ZZ 0.00046 0.00033 -0.00064 -0.00019 0.00109 170 4XY 0.00023 -0.00305 0.00577 0.00350 -0.00262 171 4XZ 0.00020 -0.00130 0.00169 0.00298 -0.00092 172 4YZ -0.00002 -0.00368 0.00688 -0.00514 -0.00522 173 22 O 1S -0.00418 0.00354 -0.00182 0.01529 -0.02798 174 2S 0.00916 -0.00656 0.00256 -0.03725 0.06679 175 2PX -0.01403 -0.02523 0.05125 -0.05310 0.12287 176 2PY 0.00988 0.05976 -0.13129 0.13977 -0.22000 177 2PZ 0.00087 -0.02422 0.04940 -0.05326 0.13957 178 3S 0.01643 0.02100 -0.05475 -0.02476 0.03596 179 3PX -0.00876 -0.00730 0.01639 -0.03746 0.04930 180 3PY 0.00553 0.03520 -0.07588 0.08011 -0.13393 181 3PZ 0.00239 -0.00646 0.01411 -0.01330 0.06660 182 4XX -0.00009 0.00031 -0.00092 0.00985 -0.00249 183 4YY -0.00082 -0.00712 0.01322 -0.01103 0.01051 184 4ZZ -0.00035 0.00033 -0.00064 -0.00019 -0.00109 185 4XY 0.00054 0.00305 -0.00577 -0.00350 -0.00262 186 4XZ -0.00007 -0.00130 0.00169 0.00298 0.00092 187 4YZ 0.00011 0.00368 -0.00687 0.00514 -0.00522 188 23 H 1S 0.00170 -0.05970 0.12411 0.27099 0.00001 189 2S 0.00353 -0.01231 0.03560 0.21706 0.00001 141 142 143 144 145 141 2PZ 0.42487 142 3S 0.05595 0.23348 143 3PX -0.01404 0.01604 0.06207 144 3PY -0.00001 0.00000 0.00000 0.02606 145 3PZ 0.14519 0.02154 -0.00376 0.00000 0.06494 146 4XX -0.00911 0.00239 0.00681 0.00000 0.00048 147 4YY -0.01616 -0.01289 -0.00513 0.00000 -0.00463 148 4ZZ 0.02326 0.00319 -0.00205 0.00000 0.00357 149 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 150 4XZ -0.01234 -0.00369 -0.00377 0.00000 -0.00400 151 4YZ -0.00001 0.00000 0.00000 -0.00288 0.00000 152 18 H 1S -0.01936 0.02999 -0.01339 0.02408 -0.00664 153 2S -0.03246 0.02717 -0.01775 0.02345 -0.00698 154 19 H 1S 0.26773 0.11640 -0.01756 -0.00001 0.08283 155 2S 0.21788 0.04307 -0.01695 0.00000 0.04488 156 20 H 1S -0.01936 0.02999 -0.01339 -0.02408 -0.00664 157 2S -0.03247 0.02717 -0.01775 -0.02345 -0.00698 158 21 O 1S 0.01502 0.02924 -0.00403 0.00234 -0.00333 159 2S -0.03600 -0.07390 0.00862 -0.00203 0.00686 160 2PX -0.05824 0.03114 0.00240 -0.04747 -0.06073 161 2PY -0.14525 0.09641 -0.05243 -0.01936 -0.05205 162 2PZ -0.05267 0.02272 -0.04081 -0.06257 0.03540 163 3S -0.02664 -0.13767 0.01708 0.00629 0.01928 164 3PX -0.01733 0.00867 0.00190 -0.02067 -0.03709 165 3PY -0.08593 0.05610 -0.03030 -0.00871 -0.03011 166 3PZ -0.03966 -0.00200 -0.02004 -0.03359 0.02610 167 4XX 0.00036 0.00126 0.00281 0.00039 0.00025 168 4YY -0.01121 0.00987 -0.00395 -0.00111 -0.00408 169 4ZZ 0.00932 0.00118 -0.00003 -0.00049 0.00221 170 4XY -0.00410 0.00446 0.00214 -0.00188 -0.00299 171 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 172 4YZ 0.00219 0.00523 -0.00267 -0.00254 0.00263 173 22 O 1S 0.01501 0.02924 -0.00403 -0.00234 -0.00333 174 2S -0.03598 -0.07390 0.00862 0.00202 0.00686 175 2PX -0.05822 0.03114 0.00240 0.04748 -0.06072 176 2PY 0.14522 -0.09641 0.05244 -0.01938 0.05204 177 2PZ -0.05262 0.02271 -0.04080 0.06256 0.03542 178 3S -0.02664 -0.13767 0.01708 -0.00630 0.01928 179 3PX -0.01732 0.00867 0.00190 0.02068 -0.03708 180 3PY 0.08592 -0.05610 0.03030 -0.00872 0.03010 181 3PZ -0.03964 -0.00200 -0.02003 0.03359 0.02611 182 4XX 0.00036 0.00126 0.00281 -0.00039 0.00025 183 4YY -0.01121 0.00987 -0.00395 0.00112 -0.00408 184 4ZZ 0.00932 0.00118 -0.00003 0.00049 0.00221 185 4XY 0.00410 -0.00446 -0.00214 -0.00188 0.00299 186 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 187 4YZ -0.00220 -0.00523 0.00267 -0.00254 -0.00263 188 23 H 1S -0.06516 0.10660 0.09600 0.00000 -0.00314 189 2S -0.07285 0.03009 0.06961 0.00000 0.00211 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00124 0.00343 148 4ZZ -0.00166 -0.00138 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 152 18 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 153 2S 0.00090 0.00129 -0.00371 0.00015 0.00044 154 19 H 1S -0.01122 -0.01263 0.02042 0.00000 -0.00575 155 2S -0.01622 -0.00903 0.02417 0.00000 -0.00384 156 20 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 157 2S 0.00090 0.00129 -0.00371 -0.00015 0.00044 158 21 O 1S 0.00248 -0.00615 0.00216 -0.00391 -0.00149 159 2S -0.00540 0.01471 -0.00417 0.00924 0.00368 160 2PX -0.02408 0.01377 0.00781 -0.00690 -0.00134 161 2PY 0.00102 -0.00405 0.00110 0.01984 0.01286 162 2PZ 0.00833 0.01598 -0.02693 0.01749 -0.00132 163 3S -0.00775 0.02322 -0.00867 0.00750 0.00155 164 3PX -0.01644 0.00749 0.00798 -0.00701 -0.00098 165 3PY 0.00129 -0.00301 0.00069 0.01253 0.00776 166 3PZ 0.00819 0.00990 -0.01914 0.01068 -0.00087 167 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 168 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 169 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 170 4XY -0.00079 0.00053 0.00004 -0.00053 -0.00029 171 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 172 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 173 22 O 1S 0.00248 -0.00616 0.00216 0.00391 -0.00149 174 2S -0.00540 0.01471 -0.00417 -0.00924 0.00368 175 2PX -0.02408 0.01377 0.00781 0.00690 -0.00134 176 2PY -0.00102 0.00404 -0.00109 0.01985 -0.01286 177 2PZ 0.00833 0.01598 -0.02693 -0.01748 -0.00133 178 3S -0.00775 0.02322 -0.00867 -0.00750 0.00155 179 3PX -0.01644 0.00749 0.00798 0.00701 -0.00098 180 3PY -0.00129 0.00300 -0.00068 0.01253 -0.00776 181 3PZ 0.00819 0.00990 -0.01913 -0.01068 -0.00087 182 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 183 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 184 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 185 4XY 0.00079 -0.00053 -0.00004 -0.00053 0.00029 186 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 187 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 188 23 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00523 189 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00337 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00063 0.21549 153 2S 0.00038 0.15285 0.12396 154 19 H 1S 0.00000 -0.00729 -0.01727 0.22401 155 2S 0.00000 -0.01839 -0.03270 0.18439 0.19878 156 20 H 1S -0.00063 -0.01120 -0.00665 -0.00729 -0.01839 157 2S -0.00038 -0.00665 0.00087 -0.01727 -0.03270 158 21 O 1S -0.00458 -0.00352 -0.00324 0.00889 0.00532 159 2S 0.01106 0.00990 0.00967 -0.02014 -0.01017 160 2PX 0.01703 -0.02878 -0.05948 0.02515 0.08191 161 2PY 0.02152 0.01996 0.04326 -0.01451 -0.02790 162 2PZ -0.00887 -0.00586 0.00656 -0.07388 -0.15915 163 3S 0.00927 0.01898 0.01364 -0.04560 -0.02895 164 3PX 0.01035 -0.02012 -0.04088 0.02839 0.07369 165 3PY 0.01360 0.01569 0.03097 -0.00975 -0.01832 166 3PZ -0.00786 -0.00329 0.00722 -0.06367 -0.12026 167 4XX -0.00048 -0.00004 0.00016 -0.00188 -0.00272 168 4YY 0.00102 0.00060 0.00203 0.00010 -0.00145 169 4ZZ -0.00007 -0.00074 -0.00140 0.00617 0.00636 170 4XY 0.00044 0.00076 -0.00066 0.00032 0.00176 171 4XZ 0.00032 -0.00092 -0.00084 0.00215 0.00178 172 4YZ -0.00038 0.00110 0.00143 0.00169 -0.00307 173 22 O 1S 0.00458 0.01458 0.01571 0.00889 0.00532 174 2S -0.01106 -0.02981 -0.03188 -0.02014 -0.01017 175 2PX -0.01703 0.01401 0.01598 0.02515 0.08191 176 2PY 0.02151 -0.01736 -0.02197 0.01453 0.02792 177 2PZ 0.00888 0.04332 0.07308 -0.07388 -0.15915 178 3S -0.00927 -0.07740 -0.06865 -0.04560 -0.02895 179 3PX -0.01035 0.00237 -0.00175 0.02839 0.07369 180 3PY 0.01360 -0.00923 -0.01054 0.00976 0.01834 181 3PZ 0.00787 0.03206 0.04917 -0.06367 -0.12026 182 4XX 0.00048 0.00288 0.00109 -0.00188 -0.00272 183 4YY -0.00102 0.00091 0.00186 0.00010 -0.00145 184 4ZZ 0.00007 0.00570 0.00403 0.00617 0.00636 185 4XY 0.00044 -0.00313 -0.00327 -0.00032 -0.00176 186 4XZ -0.00032 0.00366 0.00123 0.00215 0.00178 187 4YZ -0.00038 -0.00319 -0.00428 -0.00169 0.00307 188 23 H 1S 0.00000 -0.00083 0.00156 -0.04298 -0.08901 189 2S 0.00000 -0.00208 0.00583 -0.08219 -0.12033 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15285 0.12396 158 21 O 1S 0.01458 0.01572 2.07557 159 2S -0.02981 -0.03188 -0.17799 0.50359 160 2PX 0.01401 0.01598 -0.01251 0.02850 0.64791 161 2PY 0.01735 0.02196 0.03973 -0.07464 -0.02586 162 2PZ 0.04332 0.07308 -0.00478 0.00375 -0.13783 163 3S -0.07740 -0.06865 -0.24523 0.59250 0.04943 164 3PX 0.00237 -0.00175 -0.00938 0.02093 0.40599 165 3PY 0.00922 0.01053 0.02573 -0.04921 -0.03536 166 3PZ 0.03206 0.04917 -0.00453 0.00464 -0.14601 167 4XX 0.00288 0.00109 -0.01520 -0.00285 -0.01349 168 4YY 0.00091 0.00186 -0.01267 -0.00833 0.00249 169 4ZZ 0.00570 0.00403 -0.01397 -0.00547 0.00533 170 4XY 0.00313 0.00327 -0.00150 0.00344 0.02796 171 4XZ 0.00366 0.00123 -0.00372 0.00792 -0.00237 172 4YZ 0.00319 0.00428 -0.00139 0.00292 -0.00402 173 22 O 1S -0.00352 -0.00324 0.00092 -0.00175 -0.00451 174 2S 0.00990 0.00967 -0.00175 0.00434 0.00771 175 2PX -0.02878 -0.05948 -0.00451 0.00771 0.00552 176 2PY -0.01996 -0.04326 -0.01104 0.02888 -0.00092 177 2PZ -0.00586 0.00656 -0.00933 0.01775 -0.01625 178 3S 0.01898 0.01364 -0.01294 0.02675 0.03677 179 3PX -0.02012 -0.04088 -0.00662 0.01437 0.00623 180 3PY -0.01569 -0.03098 -0.00453 0.01241 -0.00192 181 3PZ -0.00329 0.00721 -0.01028 0.02059 -0.01000 182 4XX -0.00004 0.00016 0.00031 -0.00032 -0.00140 183 4YY 0.00060 0.00204 0.00035 -0.00120 0.00051 184 4ZZ -0.00074 -0.00140 -0.00024 0.00068 -0.00158 185 4XY -0.00076 0.00066 0.00079 -0.00193 -0.00037 186 4XZ -0.00092 -0.00084 0.00022 -0.00068 -0.00132 187 4YZ -0.00109 -0.00143 0.00075 -0.00177 0.00020 188 23 H 1S -0.00083 0.00156 0.01026 -0.02490 -0.06499 189 2S -0.00208 0.00583 0.00570 -0.01482 -0.11691 161 162 163 164 165 161 2PY 0.66562 162 2PZ -0.04102 0.71650 163 3S -0.21999 0.05273 0.75618 164 3PX -0.03487 -0.15871 0.03229 0.26578 165 3PY 0.42235 -0.03769 -0.14006 -0.03225 0.26980 166 3PZ -0.04620 0.46281 0.04136 -0.13780 -0.03459 167 4XX -0.00530 0.00322 -0.00421 -0.00785 -0.00286 168 4YY 0.04105 -0.00245 -0.01836 0.00029 0.02560 169 4ZZ -0.00589 -0.00731 -0.00646 0.00401 -0.00371 170 4XY -0.00808 -0.00450 0.00490 0.01726 -0.00594 171 4XZ 0.00090 -0.00743 0.00741 -0.00077 0.00087 172 4YZ -0.00308 0.02923 0.00413 -0.00508 -0.00252 173 22 O 1S 0.01105 -0.00933 -0.01294 -0.00662 0.00453 174 2S -0.02888 0.01775 0.02675 0.01437 -0.01241 175 2PX 0.00092 -0.01625 0.03677 0.00623 0.00192 176 2PY 0.13550 -0.00572 0.05940 -0.00134 0.10449 177 2PZ 0.00574 0.00705 0.07073 -0.00569 0.01085 178 3S -0.05941 0.07072 0.08394 0.02852 -0.02905 179 3PX 0.00134 -0.00569 0.02852 0.00658 0.00115 180 3PY 0.10449 -0.01084 0.02904 -0.00115 0.07829 181 3PZ 0.00174 0.01676 0.05953 -0.00632 0.00619 182 4XX -0.00226 -0.00269 -0.00148 -0.00031 -0.00118 183 4YY 0.00223 0.00072 -0.00513 -0.00009 0.00014 184 4ZZ -0.00197 -0.00342 0.00135 -0.00074 -0.00094 185 4XY -0.00332 0.00069 -0.00244 0.00008 -0.00244 186 4XZ -0.00299 -0.00072 -0.00058 -0.00070 -0.00179 187 4YZ -0.00194 -0.00060 -0.00258 -0.00036 -0.00155 188 23 H 1S -0.01387 0.02890 -0.04016 -0.05426 -0.00600 189 2S -0.03139 0.07565 -0.01085 -0.08762 -0.01562 166 167 168 169 170 166 3PZ 0.30850 167 4XX 0.00301 0.00104 168 4YY -0.00327 -0.00033 0.00294 169 4ZZ -0.00472 0.00002 -0.00023 0.00079 170 4XY -0.00506 -0.00037 -0.00030 0.00034 0.00161 171 4XZ -0.00424 0.00009 -0.00005 0.00011 -0.00008 172 4YZ 0.01812 0.00023 -0.00015 -0.00019 0.00006 173 22 O 1S -0.01028 0.00031 0.00035 -0.00024 -0.00079 174 2S 0.02059 -0.00032 -0.00120 0.00068 0.00193 175 2PX -0.01000 -0.00140 0.00051 -0.00158 0.00037 176 2PY -0.00173 0.00226 -0.00223 0.00197 -0.00332 177 2PZ 0.01676 -0.00269 0.00072 -0.00342 -0.00069 178 3S 0.05953 -0.00148 -0.00514 0.00135 0.00244 179 3PX -0.00632 -0.00031 -0.00009 -0.00074 -0.00008 180 3PY -0.00618 0.00118 -0.00014 0.00094 -0.00244 181 3PZ 0.02065 -0.00183 -0.00021 -0.00229 -0.00041 182 4XX -0.00184 0.00050 -0.00026 -0.00004 0.00010 183 4YY -0.00021 -0.00026 0.00085 -0.00029 0.00011 184 4ZZ -0.00229 -0.00004 -0.00029 0.00025 -0.00002 185 4XY 0.00041 -0.00010 -0.00011 0.00002 -0.00029 186 4XZ -0.00023 0.00005 -0.00015 0.00008 0.00001 187 4YZ -0.00015 0.00000 -0.00014 0.00004 -0.00012 188 23 H 1S 0.03093 0.00638 -0.00047 -0.00214 0.00191 189 2S 0.06848 0.00588 -0.00281 -0.00286 -0.00179 171 172 173 174 175 171 4XZ 0.00045 172 4YZ -0.00028 0.00151 173 22 O 1S 0.00022 -0.00075 2.07557 174 2S -0.00068 0.00177 -0.17799 0.50359 175 2PX -0.00132 -0.00020 -0.01251 0.02850 0.64791 176 2PY 0.00299 -0.00194 -0.03973 0.07464 0.02588 177 2PZ -0.00071 0.00060 -0.00479 0.00377 -0.13783 178 3S -0.00058 0.00257 -0.24523 0.59250 0.04943 179 3PX -0.00070 0.00036 -0.00938 0.02093 0.40599 180 3PY 0.00179 -0.00155 -0.02573 0.04921 0.03539 181 3PZ -0.00022 0.00015 -0.00453 0.00465 -0.14600 182 4XX 0.00005 0.00000 -0.01520 -0.00285 -0.01349 183 4YY -0.00015 0.00014 -0.01267 -0.00833 0.00249 184 4ZZ 0.00008 -0.00004 -0.01397 -0.00547 0.00533 185 4XY -0.00001 -0.00012 0.00150 -0.00344 -0.02796 186 4XZ 0.00004 -0.00002 -0.00372 0.00792 -0.00237 187 4YZ 0.00002 -0.00034 0.00139 -0.00292 0.00402 188 23 H 1S 0.00194 0.00018 0.01026 -0.02490 -0.06499 189 2S 0.00098 0.00080 0.00570 -0.01482 -0.11691 176 177 178 179 180 176 2PY 0.66560 177 2PZ 0.04101 0.71652 178 3S 0.21999 0.05276 0.75618 179 3PX 0.03490 -0.15870 0.03229 0.26578 180 3PY 0.42233 0.03769 0.14005 0.03227 0.26979 181 3PZ 0.04619 0.46282 0.04138 -0.13779 0.03459 182 4XX 0.00530 0.00322 -0.00421 -0.00785 0.00286 183 4YY -0.04105 -0.00244 -0.01835 0.00029 -0.02560 184 4ZZ 0.00589 -0.00732 -0.00646 0.00401 0.00371 185 4XY -0.00808 0.00450 -0.00490 -0.01726 -0.00594 186 4XZ -0.00090 -0.00743 0.00741 -0.00077 -0.00087 187 4YZ -0.00308 -0.02923 -0.00413 0.00508 -0.00252 188 23 H 1S 0.01387 0.02890 -0.04016 -0.05426 0.00600 189 2S 0.03138 0.07566 -0.01085 -0.08762 0.01561 181 182 183 184 185 181 3PZ 0.30851 182 4XX 0.00301 0.00104 183 4YY -0.00326 -0.00033 0.00294 184 4ZZ -0.00472 0.00002 -0.00023 0.00079 185 4XY 0.00506 0.00037 0.00030 -0.00034 0.00161 186 4XZ -0.00424 0.00009 -0.00005 0.00011 0.00008 187 4YZ -0.01812 -0.00023 0.00015 0.00019 0.00006 188 23 H 1S 0.03093 0.00638 -0.00047 -0.00214 -0.00191 189 2S 0.06848 0.00588 -0.00281 -0.00286 0.00179 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00028 0.00151 188 23 H 1S 0.00194 -0.00018 0.22350 189 2S 0.00098 -0.00080 0.17399 0.16571 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36896 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02961 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09567 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00047 0.00000 -0.00258 0.00000 17 2S -0.00047 0.00970 0.00000 0.04008 0.00000 18 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 19 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 21 3S -0.00027 0.01148 0.00000 0.03098 0.00000 22 3PX 0.00000 0.00000 0.01910 0.00000 0.00000 23 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 25 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 26 4YY -0.00026 0.00362 0.00000 0.00223 0.00000 27 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 28 4XY 0.00000 0.00000 0.00201 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00210 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 33 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 34 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 35 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 36 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 37 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 38 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 39 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 40 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 41 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 42 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 44 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 45 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 63 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 66 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 67 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 68 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 69 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 77 2S -0.00054 0.01134 0.02093 0.00935 0.01263 78 2PX -0.00132 0.02021 -0.00057 0.01792 0.03914 79 2PY -0.00067 0.00937 0.01826 -0.00036 0.00746 80 2PZ -0.00092 0.01358 0.03417 0.00933 0.00059 81 3S -0.00055 0.01143 0.02145 0.00591 0.01306 82 3PX -0.00102 0.01276 0.00242 0.00817 0.02060 83 3PY -0.00059 0.00676 0.00702 -0.00073 0.00274 84 3PZ -0.00032 0.00386 0.01528 0.00376 0.00259 85 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 86 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 87 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 88 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 89 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 90 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 91 7 H 1S -0.00198 0.03084 0.02436 0.02405 0.04948 92 2S -0.00120 0.01190 0.01601 0.01555 0.03425 93 8 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 94 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00003 0.00051 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 101 12 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 102 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 104 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 113 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 114 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 115 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 116 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 128 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 129 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 130 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00011 0.00000 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.25009 7 3PX 0.00000 0.12000 8 3PY 0.00000 0.00000 0.06237 9 3PZ 0.00000 0.00000 0.00000 0.09328 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00027 0.00000 -0.00172 0.00000 0.00000 17 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 18 2PX 0.00000 0.01910 0.00000 0.00000 0.00000 19 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 20 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 21 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 22 3PX 0.00000 0.02602 0.00000 0.00000 0.00000 23 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 24 3PZ 0.00000 0.00000 0.00000 0.02466 0.00000 25 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 26 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 27 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 28 4XY 0.00000 0.00097 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 31 3 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 32 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 33 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 34 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 35 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 36 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 37 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 38 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 39 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 40 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 41 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 42 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 43 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 44 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 45 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00028 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 62 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 63 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 64 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 65 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 66 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 67 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 68 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 69 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 70 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 71 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 72 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 73 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 74 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 75 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 76 6 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 77 2S 0.00574 0.01224 0.00249 0.00196 0.00050 78 2PX 0.00750 0.00367 0.01210 0.01594 -0.00076 79 2PY 0.01238 0.00805 0.00131 0.00065 0.00066 80 2PZ 0.00721 0.01436 0.00369 0.00349 0.00099 81 3S -0.01474 0.01146 0.00031 0.00069 0.00113 82 3PX -0.00312 0.01823 0.01058 0.01516 -0.00122 83 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 84 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 85 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 86 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 87 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 88 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 89 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 90 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 91 7 H 1S 0.04347 0.00828 0.01001 0.02192 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02135 0.00026 93 8 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 94 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 95 9 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 96 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 99 11 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 100 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 101 12 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 102 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 103 13 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 104 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 105 14 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 106 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 107 15 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 108 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 109 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 110 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 111 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 112 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 113 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 114 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 115 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 116 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 117 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 120 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 124 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 125 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 126 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 127 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 128 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 129 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 130 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 131 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 153 2S 0.00017 0.00120 0.00023 0.00028 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 157 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 164 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 165 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 166 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00002 0.00006 0.00001 0.00000 0.00000 179 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 180 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 181 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00362 -0.00047 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 19 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 21 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 23 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 25 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00002 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 34 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 35 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 36 3S 0.00009 0.00005 0.00014 0.00000 0.00009 37 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 38 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 39 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00001 0.00000 0.00001 0.00000 63 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 66 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 67 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 68 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 69 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 77 2S -0.00046 0.00001 0.00083 0.00096 0.00068 78 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 79 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 80 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 81 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 82 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 83 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 84 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 85 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 86 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 87 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 88 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 89 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 94 2S -0.00017 0.00014 0.00012 0.00000 0.00026 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 102 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00002 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 128 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.01361 0.32496 18 2PX 0.00000 0.00000 0.36896 19 2PY 0.00000 0.00000 0.00000 0.41335 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 21 3S -0.02961 0.20116 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07886 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09567 25 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 27 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 32 2S -0.00054 0.01134 0.02093 0.00935 0.01263 33 2PX -0.00132 0.02021 -0.00057 0.01791 0.03915 34 2PY -0.00067 0.00936 0.01825 -0.00036 0.00746 35 2PZ -0.00092 0.01359 0.03418 0.00933 0.00059 36 3S -0.00055 0.01143 0.02145 0.00590 0.01306 37 3PX -0.00102 0.01276 0.00242 0.00816 0.02061 38 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 39 3PZ -0.00032 0.00387 0.01528 0.00376 0.00258 40 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 41 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 42 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 43 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 44 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 45 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 48 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 51 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 52 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 53 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 54 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 64 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 65 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 66 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 67 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 68 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 69 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 78 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 79 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 80 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 81 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 82 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 83 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 84 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 85 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 86 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 93 8 H 1S -0.00198 0.03084 0.02436 0.02406 0.04947 94 2S -0.00120 0.01190 0.01601 0.01556 0.03424 95 9 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 96 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00003 0.00051 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 113 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 114 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 115 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 128 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 129 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 130 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00011 0.00000 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.25009 22 3PX 0.00000 0.12000 23 3PY 0.00000 0.00000 0.06236 24 3PZ 0.00000 0.00000 0.00000 0.09329 25 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 26 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 27 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 32 2S 0.00574 0.01224 0.00249 0.00196 0.00050 33 2PX 0.00750 0.00367 0.01210 0.01595 -0.00076 34 2PY 0.01237 0.00805 0.00131 0.00065 0.00066 35 2PZ 0.00722 0.01437 0.00369 0.00348 0.00099 36 3S -0.01474 0.01146 0.00031 0.00069 0.00113 37 3PX -0.00312 0.01823 0.01057 0.01516 -0.00122 38 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 39 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 40 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 41 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 42 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 43 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 44 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 45 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 46 4 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 47 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 48 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 49 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 50 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 51 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 52 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 53 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 54 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 55 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 56 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 57 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 58 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 60 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 61 5 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 62 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 63 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 64 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 65 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 66 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 67 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 68 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 69 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 70 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 71 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 72 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 73 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 74 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 75 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 76 6 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 77 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 78 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 79 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 80 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 81 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 82 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 83 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 84 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 85 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 86 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 87 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 88 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 89 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 90 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 94 2S 0.03825 0.00516 0.00740 0.02134 0.00026 95 9 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 96 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 100 2S 0.00036 0.00036 0.00040 -0.00010 0.00000 101 12 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 102 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 103 13 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 104 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 105 14 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 106 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 108 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 109 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 110 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 111 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 112 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 113 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 114 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 115 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 116 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 119 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 123 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 124 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 125 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 126 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 127 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 128 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 129 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 130 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 131 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 132 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 153 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 156 20 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 157 2S 0.00017 0.00120 0.00023 0.00028 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00002 0.00006 0.00001 0.00000 0.00000 164 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 165 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 166 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 179 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 180 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 181 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 182 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00006 0.00089 28 4XY 0.00000 0.00000 0.00095 29 4XZ 0.00000 0.00000 0.00000 0.00067 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 31 3 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 32 2S -0.00046 0.00001 0.00083 0.00096 0.00068 33 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 34 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 35 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 36 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 37 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 38 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 39 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 40 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 41 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 42 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 43 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 44 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 45 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00001 0.00000 48 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 51 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 52 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 53 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 54 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 67 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 68 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 69 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00002 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 79 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 80 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 81 3S 0.00009 0.00005 0.00014 0.00000 0.00009 82 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 83 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 84 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 94 2S -0.00135 0.00254 0.00027 0.00030 0.00052 95 9 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 96 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 113 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00002 0.00000 0.00000 0.00000 0.00000 128 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.01344 0.32633 33 2PX 0.00000 0.00000 0.35439 34 2PY 0.00000 0.00000 0.00000 0.41151 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 36 3S -0.03645 0.23612 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 40 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 41 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 42 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00019 -0.00012 -0.00024 -0.00095 47 2S -0.00020 0.00510 0.00225 0.00423 0.01884 48 2PX -0.00009 0.00177 0.00002 0.00094 0.00649 49 2PY -0.00019 0.00372 0.00070 -0.00061 0.01258 50 2PZ -0.00117 0.02397 0.00790 0.01390 0.04482 51 3S 0.00013 0.00692 0.00564 0.00982 0.01743 52 3PX -0.00008 0.00179 0.00000 0.00069 0.00365 53 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 54 3PZ -0.00127 0.01980 0.00425 0.00822 0.01548 55 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 56 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 57 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 58 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 59 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 60 4YZ -0.00005 0.00083 0.00023 0.00005 0.00129 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 63 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 64 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 65 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 66 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 67 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 68 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 69 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 78 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 79 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 81 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 82 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 83 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 94 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 95 9 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 96 2S -0.00121 0.01237 0.00024 0.06457 0.00048 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00009 0.00011 0.00015 0.00006 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00000 0.00006 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 113 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 114 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 115 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 153 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 179 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 180 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 181 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.30061 37 3PX 0.00000 0.12488 38 3PY 0.00000 0.00000 0.05321 39 3PZ 0.00000 0.00000 0.00000 0.09658 40 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 41 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 42 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 47 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 48 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 49 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 50 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 51 3S 0.00013 0.00758 0.00649 -0.00033 -0.00076 52 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 53 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 54 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 55 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 56 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 57 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 58 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 59 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 60 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 61 5 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 62 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 63 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 64 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 65 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 66 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 67 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 68 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 69 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 70 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 71 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 72 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 73 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 74 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 75 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 76 6 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 77 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 78 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 79 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 81 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 82 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 83 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 84 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 85 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 86 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 87 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 88 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 94 2S -0.01509 -0.01064 -0.00027 -0.00394 0.00015 95 9 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 96 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 97 10 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 99 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 100 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 101 12 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 109 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 110 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 111 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 112 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 113 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 114 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 115 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 116 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 117 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 118 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 119 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 120 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 121 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 122 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 153 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 160 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 164 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 165 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 166 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 174 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 175 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 176 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 177 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 178 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 179 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 180 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 181 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 182 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 183 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00024 0.00145 43 4XY 0.00000 0.00000 0.00042 44 4XZ 0.00000 0.00000 0.00000 0.00069 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 46 4 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 47 2S -0.00028 0.00173 0.00008 0.00027 0.00071 48 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 49 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 50 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 51 3S -0.00147 0.00324 0.00007 0.00015 0.00038 52 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 53 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 54 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 55 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 56 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 57 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 58 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 59 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 60 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 67 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 68 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 69 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00002 0.00001 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 95 9 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 96 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 113 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 114 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 115 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00002 0.00003 0.00000 0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41187 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10249 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 62 2S -0.00013 0.00349 0.00000 0.02291 0.00000 63 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 64 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 66 3S 0.00028 0.00260 0.00000 0.02762 0.00000 67 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 68 3PY -0.00147 0.02052 0.00000 0.03407 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 70 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 71 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 72 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 73 4XY 0.00000 0.00000 0.00114 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00104 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 80 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 81 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 82 3PX 0.00001 -0.00009 -0.00004 -0.00020 -0.00019 83 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 84 3PZ 0.00001 -0.00046 0.00005 -0.00158 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00008 0.00009 0.00001 0.00033 95 9 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 96 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 97 10 H 1S -0.00170 0.02784 0.07933 0.01254 0.00673 98 2S -0.00043 0.00951 0.05033 0.00744 0.00404 99 11 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 100 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00006 0.00000 0.00029 0.00004 103 13 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 104 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 105 14 H 1S -0.00166 0.02734 0.04266 0.00966 0.04456 106 2S -0.00064 0.00994 0.02850 0.00580 0.02893 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 113 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 114 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 115 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 124 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 127 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 128 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 129 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 130 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00001 0.00000 0.00004 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 179 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 180 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.30210 52 3PX 0.00000 0.08585 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09074 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00028 0.00000 -0.00147 0.00000 0.00000 62 2S 0.00260 0.00000 0.02051 0.00000 -0.00023 63 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 64 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 65 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 66 3S -0.01566 0.00000 0.01958 0.00000 -0.00079 67 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 68 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 69 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 70 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 71 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 72 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 73 4XY 0.00000 0.00074 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00072 0.00000 76 6 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 77 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 78 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 79 2PY -0.00336 -0.00018 -0.00450 -0.00024 0.00000 80 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 81 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 82 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 83 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 84 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 85 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 86 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 87 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 88 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 89 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 90 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 94 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 95 9 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 96 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 97 10 H 1S 0.03034 0.05115 0.00786 0.00549 0.00438 98 2S -0.00478 0.04890 0.00646 0.00408 0.00431 99 11 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 100 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 101 12 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 102 2S 0.00130 0.00003 0.00301 0.00018 0.00000 103 13 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 104 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 105 14 H 1S 0.03402 0.02647 0.00710 0.02917 0.00062 106 2S 0.01332 0.02783 0.00655 0.02844 0.00050 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 109 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 110 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 111 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 112 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 113 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 114 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 115 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 116 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 123 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 124 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 125 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 126 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 127 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 128 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 129 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 130 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 131 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 132 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 153 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 161 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 163 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 164 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 165 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 166 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 175 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 176 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 177 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 178 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 179 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 180 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 181 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 182 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 183 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 184 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 62 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 64 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 66 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 68 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 70 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 72 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00016 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00012 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00001 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 81 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 82 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 83 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 84 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 95 9 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 96 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 97 10 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 98 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 100 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 103 13 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 104 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 105 14 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 106 2S -0.00155 0.00172 0.00021 0.00078 0.00021 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00001 0.00001 113 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 115 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 127 3S -0.00002 0.00004 0.00000 0.00002 0.00000 128 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 130 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.01170 0.30682 63 2PX 0.00000 0.00000 0.41187 64 2PY 0.00000 0.00000 0.00000 0.38124 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 66 3S -0.03425 0.22724 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 70 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 71 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 72 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00020 -0.00009 -0.00019 -0.00117 77 2S -0.00019 0.00510 0.00177 0.00371 0.02398 78 2PX -0.00012 0.00225 0.00002 0.00070 0.00790 79 2PY -0.00024 0.00423 0.00094 -0.00061 0.01390 80 2PZ -0.00095 0.01884 0.00649 0.01257 0.04483 81 3S -0.00008 0.00439 0.00232 0.00318 0.02221 82 3PX -0.00013 0.00144 0.00002 0.00032 0.00379 83 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 84 3PZ -0.00056 0.01093 0.00151 0.00723 0.01200 85 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 86 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 87 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 88 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 89 4XZ -0.00002 0.00027 0.00055 0.00016 0.00037 90 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00006 0.00000 0.00029 0.00004 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 99 11 H 1S -0.00170 0.02784 0.07933 0.01254 0.00673 100 2S -0.00043 0.00951 0.05033 0.00744 0.00403 101 12 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 102 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 103 13 H 1S -0.00166 0.02734 0.04266 0.00967 0.04456 104 2S -0.00064 0.00994 0.02850 0.00581 0.02893 105 14 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 106 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 109 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 112 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 113 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 114 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 115 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 128 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 129 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 130 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 143 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00001 0.00000 0.00004 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 164 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 165 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 166 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.30210 67 3PX 0.00000 0.08585 68 3PY 0.00000 0.00000 0.08588 69 3PZ 0.00000 0.00000 0.00000 0.09074 70 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 71 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 72 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00013 -0.00008 -0.00024 -0.00127 0.00000 77 2S 0.00692 0.00179 0.00226 0.01980 -0.00030 78 2PX 0.00564 0.00000 0.00058 0.00425 0.00003 79 2PY 0.00981 0.00068 0.00034 0.00821 -0.00007 80 2PZ 0.01744 0.00365 0.00759 0.01549 -0.00038 81 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 82 3PX 0.00758 -0.00074 0.00009 0.00263 -0.00026 83 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 84 3PZ -0.00033 0.00122 0.00562 0.00190 0.00003 85 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 86 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 87 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 88 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 89 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 90 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 95 9 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 96 2S 0.00130 0.00003 0.00301 0.00018 0.00000 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 99 11 H 1S 0.03034 0.05115 0.00787 0.00549 0.00438 100 2S -0.00478 0.04890 0.00646 0.00408 0.00431 101 12 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 102 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 103 13 H 1S 0.03402 0.02647 0.00710 0.02917 0.00062 104 2S 0.01332 0.02783 0.00656 0.02843 0.00050 105 14 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 106 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 107 15 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 108 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 109 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 110 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 111 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 112 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 113 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 114 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 115 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 116 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 117 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 124 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 125 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 126 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 127 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 128 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 129 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 130 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 131 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 142 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 143 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 144 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 145 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 146 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 154 19 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 155 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 156 20 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 157 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 160 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 161 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 162 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 163 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 164 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 165 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 166 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 167 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 168 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 169 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 172 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 176 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 178 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 179 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 180 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 181 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00001 0.00001 0.00002 0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00011 0.00105 73 4XY 0.00000 0.00000 0.00096 74 4XZ 0.00000 0.00000 0.00000 0.00130 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 76 6 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 77 2S -0.00018 0.00165 0.00007 0.00039 0.00082 78 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 79 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 80 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 81 3S -0.00038 0.00238 0.00004 0.00013 0.00035 82 3PX -0.00014 0.00065 0.00005 0.00053 0.00005 83 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 84 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 85 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 86 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 87 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 89 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 100 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 101 12 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 102 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 103 13 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 104 2S -0.00155 0.00172 0.00021 0.00078 0.00021 105 14 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 106 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 112 3S -0.00002 0.00004 0.00000 0.00002 0.00000 113 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 115 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00001 0.00001 128 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 130 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.01344 0.32633 78 2PX 0.00000 0.00000 0.35439 79 2PY 0.00000 0.00000 0.00000 0.41151 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 81 3S -0.03645 0.23612 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11189 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 85 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 86 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 87 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00023 0.00019 0.00011 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 100 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 101 12 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 102 2S -0.00121 0.01237 0.00024 0.06456 0.00049 103 13 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 104 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00006 0.00001 0.00010 0.00023 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 109 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 110 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 111 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 112 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 113 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 114 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 115 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 116 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 128 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 129 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 130 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00003 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 156 20 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 157 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 164 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 165 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 166 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.30061 82 3PX 0.00000 0.12488 83 3PY 0.00000 0.00000 0.05321 84 3PZ 0.00000 0.00000 0.00000 0.09658 85 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 86 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 87 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 93 8 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 94 2S 0.00169 0.00167 0.00108 0.00063 0.00000 95 9 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 96 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 99 11 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 100 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 101 12 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 102 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 103 13 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 104 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 105 14 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 106 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 107 15 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 108 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 109 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 110 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 111 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 112 3S 0.00126 0.00244 0.00172 0.00107 0.00037 113 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 114 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 115 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 116 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 117 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 118 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 119 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 120 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 124 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 125 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 126 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 127 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 128 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 129 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 130 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 131 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 132 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 133 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 134 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 135 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 136 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 140 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 143 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 144 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 145 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 153 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 154 19 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 155 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 156 20 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 157 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 158 21 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 159 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 160 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 161 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 162 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 163 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 164 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 165 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 166 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 167 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 168 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 169 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 175 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 179 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 180 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 181 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00024 0.00145 88 4XY 0.00000 0.00000 0.00042 89 4XZ 0.00000 0.00000 0.00000 0.00069 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00002 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 100 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 101 12 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 102 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 103 13 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 104 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 113 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 114 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 115 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 128 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 129 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 130 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00002 0.00003 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00093 0.21693 94 2S -0.00093 -0.00553 0.11783 0.17164 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00104 0.21714 96 2S 0.00000 -0.00014 -0.00105 -0.00589 0.11577 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 0.00002 0.00000 -0.00019 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00019 0.00000 0.00002 0.00000 101 12 H 1S -0.00001 -0.00104 0.00000 0.00000 0.00000 102 2S -0.00105 -0.00589 0.00000 -0.00014 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00005 -0.00017 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00009 0.00000 -0.00001 0.00000 110 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S 0.00001 0.00027 0.00000 -0.00007 0.00001 113 3PX 0.00001 0.00048 0.00000 -0.00003 -0.00001 114 3PY 0.00000 0.00001 0.00000 -0.00001 0.00003 115 3PZ -0.00002 -0.00021 0.00000 0.00004 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00009 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 -0.00007 0.00001 0.00027 -0.00055 128 3PX 0.00000 -0.00003 0.00001 0.00048 -0.00060 129 3PY 0.00000 -0.00001 0.00000 0.00001 0.00020 130 3PZ 0.00000 0.00004 -0.00002 -0.00021 -0.00018 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00002 0.00003 0.00027 -0.00011 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00003 0.00027 0.00000 0.00002 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00027 0.21593 98 2S -0.00001 0.11187 0.16629 99 11 H 1S 0.00000 -0.00003 -0.00165 0.21593 100 2S -0.00015 -0.00165 -0.00908 0.11187 0.16629 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00039 102 2S 0.00000 0.00000 -0.00015 -0.00027 -0.00001 103 13 H 1S 0.00000 0.00000 0.00041 -0.00052 -0.00841 104 2S -0.00011 0.00038 0.00361 -0.00817 -0.02546 105 14 H 1S -0.00015 -0.00052 -0.00841 0.00000 0.00041 106 2S -0.00034 -0.00817 -0.02546 0.00038 0.00361 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 108 2S 0.00001 0.00000 0.00002 0.00000 -0.00017 109 2PX 0.00001 0.00000 -0.00001 0.00000 -0.00012 110 2PY 0.00004 0.00000 0.00004 0.00000 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00126 112 3S 0.00040 0.00000 0.00028 -0.00007 -0.00144 113 3PX 0.00008 0.00002 0.00011 -0.00022 -0.00106 114 3PY 0.00045 -0.00004 0.00013 -0.00006 -0.00020 115 3PZ 0.00007 0.00001 0.00001 -0.00067 -0.00526 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00011 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 123 2S -0.00009 0.00000 -0.00017 0.00000 0.00002 124 2PX -0.00061 0.00000 -0.00012 0.00000 -0.00001 125 2PY -0.00045 0.00000 -0.00003 0.00000 0.00004 126 2PZ -0.00017 -0.00001 -0.00126 0.00000 -0.00001 127 3S -0.00323 -0.00007 -0.00144 0.00000 0.00028 128 3PX -0.00284 -0.00022 -0.00106 0.00002 0.00011 129 3PY 0.00072 -0.00006 -0.00020 -0.00004 0.00013 130 3PZ -0.00110 -0.00067 -0.00526 0.00001 0.00001 131 4XX -0.00002 0.00000 -0.00007 0.00000 0.00000 132 4YY 0.00005 0.00000 0.00002 0.00000 0.00000 133 4ZZ -0.00001 0.00000 0.00011 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00001 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 138 2S 0.00000 0.00000 -0.00016 0.00000 -0.00016 139 2PX 0.00000 0.00000 -0.00018 0.00000 -0.00018 140 2PY 0.00000 0.00000 -0.00006 0.00000 -0.00006 141 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 142 3S -0.00001 -0.00011 -0.00101 -0.00011 -0.00101 143 3PX -0.00001 0.00017 0.00046 0.00017 0.00046 144 3PY -0.00001 0.00009 0.00062 0.00009 0.00062 145 3PZ 0.00000 -0.00022 0.00006 -0.00022 0.00006 146 4XX 0.00000 0.00000 0.00004 0.00000 0.00004 147 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 148 4ZZ 0.00000 0.00000 -0.00005 0.00000 -0.00005 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00002 150 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 151 4YZ 0.00000 0.00000 0.00002 0.00000 0.00002 152 18 H 1S -0.00011 0.00000 0.00003 0.00000 0.00000 153 2S -0.00016 0.00001 0.00048 0.00000 -0.00005 154 19 H 1S 0.00000 0.00000 -0.00038 0.00000 -0.00038 155 2S 0.00001 0.00030 -0.00172 0.00030 -0.00172 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 157 2S -0.00003 0.00000 -0.00005 0.00001 0.00048 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 159 2S 0.00000 0.00000 0.00001 0.00000 0.00014 160 2PX 0.00000 0.00000 -0.00001 0.00000 0.00058 161 2PY 0.00000 0.00000 0.00001 0.00000 0.00001 162 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00128 163 3S 0.00000 0.00000 0.00016 -0.00014 0.00092 164 3PX -0.00001 0.00000 -0.00013 0.00000 0.00353 165 3PY 0.00000 0.00000 0.00017 0.00000 0.00007 166 3PZ 0.00000 0.00000 -0.00008 -0.00002 0.00671 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 -0.00008 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 174 2S 0.00002 0.00000 0.00014 0.00000 0.00001 175 2PX 0.00000 0.00000 0.00058 0.00000 -0.00001 176 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 177 2PZ 0.00000 0.00000 0.00128 0.00000 -0.00001 178 3S 0.00026 -0.00014 0.00092 0.00000 0.00016 179 3PX 0.00011 0.00000 0.00353 0.00000 -0.00013 180 3PY 0.00012 0.00000 0.00007 0.00000 0.00017 181 3PZ 0.00001 -0.00002 0.00671 0.00000 -0.00008 182 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00001 189 2S 0.00000 0.00001 0.00025 0.00001 0.00025 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.11577 0.16496 103 13 H 1S 0.00000 -0.00015 0.21529 104 2S -0.00017 -0.00034 0.11394 0.15893 105 14 H 1S 0.00000 0.00000 -0.00005 -0.00202 0.21529 106 2S 0.00000 -0.00011 -0.00202 -0.00835 0.11394 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 109 2PX -0.00001 -0.00061 0.00000 0.00005 0.00000 110 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00017 0.00000 0.00007 0.00000 112 3S -0.00055 -0.00323 0.00000 0.00004 0.00000 113 3PX -0.00060 -0.00284 0.00004 0.00100 0.00000 114 3PY 0.00020 0.00072 0.00000 0.00008 0.00000 115 3PZ -0.00018 -0.00110 0.00002 0.00076 0.00000 116 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00040 0.00000 0.00012 0.00000 128 3PX -0.00001 0.00008 0.00000 0.00003 0.00004 129 3PY 0.00003 0.00046 0.00000 0.00003 0.00000 130 3PZ 0.00000 0.00007 0.00000 0.00015 0.00002 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00001 0.00000 0.00002 0.00000 143 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 144 3PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00001 0.00000 0.00008 0.00000 156 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 157 2S -0.00011 -0.00016 0.00000 -0.00006 0.00000 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00002 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 3S 0.00000 0.00026 0.00000 0.00004 0.00000 164 3PX 0.00000 0.00011 0.00000 0.00000 0.00000 165 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 166 3PZ 0.00000 0.00001 0.00000 -0.00002 0.00000 167 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.15893 107 15 C 1S 0.00000 2.05255 108 2S 0.00000 -0.01389 0.33288 109 2PX 0.00001 0.00000 0.00000 0.34621 110 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00012 -0.03170 0.22132 0.00000 0.00000 113 3PX 0.00003 0.00000 0.00000 0.09507 0.00000 114 3PY 0.00003 0.00000 0.00000 0.00000 0.07005 115 3PZ 0.00015 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 118 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 123 2S 0.00001 -0.00065 0.01384 0.00000 0.04297 124 2PX 0.00005 0.00000 0.00000 0.01640 0.00000 125 2PY 0.00000 -0.00286 0.04297 0.00000 0.10300 126 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00011 0.00956 0.00000 0.03203 128 3PX 0.00100 0.00000 0.00000 0.02166 0.00000 129 3PY 0.00008 -0.00013 0.01037 0.00000 0.01886 130 3PZ 0.00076 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00061 0.00000 -0.00167 132 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 133 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 134 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00000 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00000 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00002 0.00009 -0.00098 -0.00291 -0.00149 143 3PX -0.00002 0.00018 -0.00203 -0.00095 -0.00093 144 3PY -0.00001 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00000 0.00012 -0.00154 -0.00361 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 153 2S -0.00006 0.00024 -0.00382 -0.00027 -0.00595 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00008 0.00000 0.00009 -0.00002 -0.00002 156 20 H 1S 0.00000 -0.00236 0.03823 0.00581 0.03853 157 2S 0.00000 -0.00192 0.02241 0.00247 0.02221 158 21 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 159 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 160 2PX 0.00000 -0.00024 0.01219 0.01590 0.00661 161 2PY 0.00000 -0.00005 0.00218 0.00602 -0.00067 162 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 163 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 164 3PX -0.00001 -0.00226 0.02342 0.01029 0.00756 165 3PY 0.00000 -0.00071 0.00625 0.00942 -0.00375 166 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 167 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 168 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 169 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 170 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 171 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 172 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 175 2PX 0.00000 0.00000 -0.00005 0.00010 -0.00012 176 2PY 0.00000 0.00000 -0.00016 -0.00010 -0.00034 177 2PZ 0.00000 0.00000 0.00000 -0.00008 -0.00014 178 3S 0.00004 -0.00001 -0.00015 -0.00043 0.00138 179 3PX 0.00000 0.00004 -0.00104 0.00070 -0.00111 180 3PY 0.00000 0.00011 -0.00329 -0.00122 -0.00346 181 3PZ -0.00002 -0.00001 0.00015 -0.00130 -0.00196 182 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00005 183 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00005 184 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 185 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00017 0.00068 0.00002 111 112 113 114 115 111 2PZ 0.37882 112 3S 0.00000 0.30238 113 3PX 0.00000 0.00000 0.10751 114 3PY 0.00000 0.00000 0.00000 0.05314 115 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 116 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 123 2S 0.00000 0.00956 0.00000 0.01037 0.00000 124 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 125 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 126 2PZ 0.01211 0.00000 0.00000 0.00000 0.01874 127 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 128 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 129 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 130 3PZ 0.01873 0.00000 0.00000 0.00000 0.02710 131 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 132 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 133 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 134 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00167 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00488 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 153 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 156 20 H 1S 0.05489 0.05282 0.00177 0.01252 0.02525 157 2S 0.03133 0.03771 -0.00039 0.01031 0.02356 158 21 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 159 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 160 2PX 0.01963 0.00361 0.00059 0.00088 0.00354 161 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 162 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 163 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 164 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 165 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 166 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 167 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 168 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 169 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 170 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 171 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 172 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 173 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 174 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 175 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 176 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 177 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 178 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 179 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 180 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 181 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 182 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 183 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 184 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 185 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00027 0.00124 118 4ZZ -0.00019 -0.00008 0.00166 119 4XY 0.00000 0.00000 0.00000 0.00146 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 123 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 125 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 129 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 132 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 133 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 159 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 160 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 161 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 162 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 163 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 164 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 165 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 166 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 167 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 168 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 169 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 170 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 171 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 172 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 176 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 178 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 179 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 180 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 181 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 121 122 123 124 125 121 4YZ 0.00192 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00000 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43071 126 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.09507 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 130 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00000 -0.00016 -0.00030 -0.00018 139 2PX 0.00004 0.00000 -0.00038 -0.00036 -0.00014 140 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 141 2PZ 0.00002 0.00000 -0.00024 -0.00061 -0.00016 142 3S 0.00008 0.00009 -0.00098 -0.00291 -0.00149 143 3PX 0.00006 0.00018 -0.00203 -0.00095 -0.00093 144 3PY -0.00006 0.00001 -0.00026 -0.00173 -0.00001 145 3PZ 0.00004 0.00012 -0.00154 -0.00361 -0.00101 146 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 147 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 149 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 152 18 H 1S 0.00004 -0.00236 0.03823 0.00581 0.03854 153 2S 0.00022 -0.00192 0.02241 0.00247 0.02222 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00000 0.00009 -0.00002 -0.00002 156 20 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 158 21 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 159 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 160 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 161 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 162 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 163 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 164 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 165 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 166 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 167 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 168 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 169 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 170 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 173 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 174 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 175 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 176 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 177 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00318 178 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 179 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 180 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 181 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 182 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 183 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 184 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 185 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 186 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 187 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 0.00017 0.00068 0.00002 126 127 128 129 130 126 2PZ 0.37881 127 3S 0.00000 0.30239 128 3PX 0.00000 0.00000 0.10751 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09297 0.00000 0.00000 0.00000 0.09327 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 138 2S -0.00012 -0.00090 -0.00167 -0.00102 0.00026 139 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 140 2PY -0.00029 0.00040 -0.00157 -0.00078 -0.00112 141 2PZ -0.00003 -0.00187 -0.00288 -0.00017 0.00021 142 3S -0.00044 0.00149 -0.00488 -0.00286 0.00277 143 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00116 144 3PY -0.00153 0.00071 -0.00141 -0.00035 -0.00109 145 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 146 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 147 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 148 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 149 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 150 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 151 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 152 18 H 1S 0.05488 0.05282 0.00177 0.01253 0.02524 153 2S 0.03132 0.03771 -0.00039 0.01031 0.02355 154 19 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 155 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 158 21 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 159 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 160 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 161 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 162 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 163 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 164 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 165 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 166 3PZ -0.00024 0.00201 -0.00340 -0.00487 -0.00289 167 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 168 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 169 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 170 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 173 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 174 2S 0.00516 -0.01942 -0.00292 0.00272 -0.00507 175 2PX 0.01964 0.00361 0.00059 0.00087 0.00354 176 2PY 0.00301 0.00274 -0.00034 0.00416 0.00004 177 2PZ 0.00253 0.00548 0.00691 0.00110 -0.00136 178 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 179 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 180 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 181 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 182 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 183 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 184 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 185 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 186 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 187 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 188 23 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 189 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 139 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 140 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 142 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 143 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 144 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 145 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 150 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 153 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 161 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 162 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 163 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 164 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 165 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 166 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 167 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 169 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 174 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 175 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 176 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 177 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 178 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 179 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 180 3PY 0.00147 -0.00054 0.00045 0.00071 0.00076 181 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 182 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 183 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 184 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 185 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 186 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 187 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00009 0.00001 0.00003 0.00000 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.04980 138 2S 0.00002 -0.01427 0.34291 139 2PX 0.00004 0.00000 0.00000 0.42805 140 2PY 0.00000 0.00000 0.00000 0.00000 0.29269 141 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 142 3S 0.00008 -0.02762 0.21128 0.00000 0.00000 143 3PX 0.00006 0.00000 0.00000 0.08854 0.00000 144 3PY -0.00006 0.00000 0.00000 0.00000 0.04043 145 3PZ 0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00141 0.00019 0.00000 0.00000 147 4YY 0.00000 -0.00104 -0.00728 0.00000 0.00000 148 4ZZ 0.00000 -0.00140 -0.00031 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00377 0.00000 0.00000 0.00000 0.00000 153 2S 0.00064 0.00000 0.00020 0.00020 0.00017 154 19 H 1S 0.00000 -0.00189 0.03298 0.00488 0.00000 155 2S 0.00001 -0.00105 0.01599 0.00409 0.00000 156 20 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 157 2S 0.00022 0.00000 0.00020 0.00020 0.00017 158 21 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 159 2S 0.00000 -0.00001 0.00022 0.00238 0.00832 160 2PX 0.00001 -0.00005 0.00251 -0.00016 0.00934 161 2PY 0.00001 -0.00022 0.01256 0.01062 0.02341 162 2PZ 0.00000 -0.00005 0.00249 0.00213 0.01090 163 3S 0.00000 0.00084 -0.01440 0.00278 0.00788 164 3PX 0.00007 -0.00032 0.00324 -0.00392 0.00862 165 3PY 0.00009 -0.00300 0.02932 0.01402 0.01969 166 3PZ -0.00001 -0.00029 0.00288 0.00123 0.01198 167 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 168 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 169 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 170 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 171 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 172 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 173 22 O 1S -0.00003 0.00000 -0.00001 -0.00012 -0.00042 174 2S 0.00056 -0.00001 0.00022 0.00238 0.00832 175 2PX 0.00116 -0.00005 0.00251 -0.00016 0.00934 176 2PY 0.00016 -0.00022 0.01257 0.01062 0.02342 177 2PZ -0.00003 -0.00005 0.00249 0.00213 0.01090 178 3S 0.00085 0.00084 -0.01440 0.00278 0.00788 179 3PX 0.00070 -0.00032 0.00324 -0.00392 0.00863 180 3PY 0.00045 -0.00300 0.02932 0.01402 0.01970 181 3PZ 0.00002 -0.00029 0.00287 0.00123 0.01197 182 4XX -0.00001 0.00000 -0.00010 -0.00008 -0.00038 183 4YY 0.00001 -0.00016 0.00280 0.00180 0.00191 184 4ZZ -0.00001 0.00000 -0.00007 0.00002 -0.00017 185 4XY -0.00003 -0.00006 0.00071 0.00006 0.00036 186 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 187 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 188 23 H 1S 0.00000 -0.00189 0.03335 0.09741 0.00000 189 2S -0.00001 -0.00112 0.01682 0.05688 0.00000 141 142 143 144 145 141 2PZ 0.42487 142 3S 0.00000 0.23348 143 3PX 0.00000 0.00000 0.06207 144 3PY 0.00000 0.00000 0.00000 0.02606 145 3PZ 0.08272 0.00000 0.00000 0.00000 0.06494 146 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00201 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 153 2S 0.00029 0.00131 0.00123 0.00115 0.00056 154 19 H 1S 0.09572 0.04348 0.00168 0.00000 0.04186 155 2S 0.05685 0.03018 0.00184 0.00000 0.02575 156 20 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 159 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00119 160 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 161 2PY 0.01135 0.01000 0.00431 0.00085 0.00439 162 2PZ -0.00004 0.00124 0.00177 0.00528 0.00255 163 3S 0.00308 -0.06227 -0.00434 -0.00312 -0.00504 164 3PX 0.00160 0.00174 0.00062 0.00455 0.00430 165 3PY 0.01545 0.02199 0.00668 -0.00009 0.00682 166 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 167 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 168 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 169 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 170 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 171 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 172 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 173 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 174 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 175 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 176 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 177 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 178 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 179 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 180 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 181 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00838 182 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 183 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 184 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 185 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 186 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 187 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 188 23 H 1S 0.00385 0.03985 0.04873 0.00000 0.00026 189 2S 0.00314 0.02109 0.04011 0.00000 -0.00020 146 147 148 149 150 146 4XX 0.00335 147 4YY -0.00041 0.00343 148 4ZZ -0.00055 -0.00046 0.00350 149 4XY 0.00000 0.00000 0.00000 0.00248 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 154 19 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00061 155 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 159 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 160 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 161 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 162 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 163 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 164 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 165 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 166 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 167 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 168 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 169 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 170 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 171 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 173 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 174 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 175 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 176 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 177 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 178 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 179 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 180 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 181 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 182 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 183 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 184 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 185 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 186 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 188 23 H 1S 0.00897 -0.00137 -0.00146 0.00000 0.00049 189 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 151 152 153 154 155 151 4YZ 0.00274 152 18 H 1S 0.00000 0.21549 153 2S 0.00000 0.10062 0.12396 154 19 H 1S 0.00000 0.00000 -0.00001 0.22401 155 2S 0.00000 -0.00001 -0.00038 0.12138 0.19878 156 20 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00001 157 2S 0.00000 -0.00015 0.00011 -0.00001 -0.00038 158 21 O 1S -0.00005 0.00000 0.00000 0.00000 0.00005 159 2S 0.00114 0.00000 0.00003 -0.00004 -0.00073 160 2PX 0.00132 0.00000 0.00010 0.00002 0.00089 161 2PY 0.00250 0.00000 0.00014 -0.00003 -0.00090 162 2PZ -0.00012 0.00000 -0.00001 -0.00026 -0.00756 163 3S 0.00088 0.00001 0.00029 -0.00186 -0.00585 164 3PX 0.00085 0.00002 0.00085 0.00062 0.00419 165 3PY 0.00103 0.00003 0.00122 -0.00064 -0.00312 166 3PZ 0.00059 0.00000 -0.00018 -0.00614 -0.03003 167 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00022 168 4YY 0.00018 0.00000 0.00002 0.00000 -0.00014 169 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00078 170 4XY 0.00007 0.00000 0.00000 0.00000 0.00002 171 4XZ 0.00000 0.00000 0.00000 0.00001 0.00003 172 4YZ 0.00000 0.00000 -0.00001 0.00003 -0.00016 173 22 O 1S -0.00005 0.00000 0.00016 0.00000 0.00005 174 2S 0.00114 -0.00006 -0.00225 -0.00004 -0.00073 175 2PX 0.00132 -0.00004 -0.00058 0.00002 0.00089 176 2PY 0.00250 -0.00001 -0.00012 -0.00003 -0.00090 177 2PZ -0.00012 -0.00014 -0.00325 -0.00026 -0.00755 178 3S 0.00088 -0.00308 -0.01369 -0.00186 -0.00585 179 3PX 0.00085 -0.00017 0.00033 0.00062 0.00419 180 3PY 0.00103 -0.00010 -0.00030 -0.00064 -0.00312 181 3PZ 0.00059 -0.00288 -0.01157 -0.00614 -0.03003 182 4XX -0.00006 0.00003 0.00011 -0.00001 -0.00022 183 4YY 0.00018 0.00000 0.00015 0.00000 -0.00014 184 4ZZ 0.00000 0.00008 0.00047 0.00009 0.00078 185 4XY 0.00007 0.00001 0.00002 0.00000 0.00002 186 4XZ 0.00000 0.00006 0.00007 0.00001 0.00003 187 4YZ 0.00000 0.00001 0.00004 0.00003 -0.00016 188 23 H 1S 0.00000 0.00000 0.00000 -0.00073 -0.01284 189 2S 0.00000 0.00000 0.00008 -0.01185 -0.04733 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12396 158 21 O 1S 0.00000 0.00016 2.07557 159 2S -0.00006 -0.00225 -0.04159 0.50359 160 2PX -0.00004 -0.00058 0.00000 0.00000 0.64791 161 2PY -0.00001 -0.00012 0.00000 0.00000 0.00000 162 2PZ -0.00014 -0.00325 0.00000 0.00000 0.00000 163 3S -0.00308 -0.01369 -0.04102 0.45246 0.00000 164 3PX -0.00017 0.00033 0.00000 0.00000 0.20361 165 3PY -0.00010 -0.00030 0.00000 0.00000 0.00000 166 3PZ -0.00288 -0.01157 0.00000 0.00000 0.00000 167 4XX 0.00003 0.00011 -0.00051 -0.00156 0.00000 168 4YY 0.00000 0.00015 -0.00042 -0.00456 0.00000 169 4ZZ 0.00008 0.00047 -0.00047 -0.00299 0.00000 170 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 171 4XZ 0.00006 0.00007 0.00000 0.00000 0.00000 172 4YZ 0.00001 0.00004 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00003 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00010 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00014 0.00000 -0.00001 0.00000 177 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 178 3S 0.00001 0.00029 -0.00002 0.00039 0.00000 179 3PX 0.00002 0.00085 0.00000 0.00000 0.00005 180 3PY 0.00003 0.00122 0.00002 -0.00063 0.00000 181 3PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00000 0.00008 0.00006 -0.00107 -0.00553 161 162 163 164 165 161 2PY 0.66562 162 2PZ 0.00000 0.71650 163 3S 0.00000 0.00000 0.75618 164 3PX 0.00000 0.00000 0.00000 0.26578 165 3PY 0.21182 0.00000 0.00000 0.00000 0.26980 166 3PZ 0.00000 0.23211 0.00000 0.00000 0.00000 167 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 168 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 169 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 -0.00002 0.00000 0.00002 174 2S -0.00001 0.00000 0.00039 0.00000 -0.00063 175 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 176 2PY -0.00009 0.00000 -0.00113 0.00000 -0.00629 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00113 0.00000 0.00661 0.00000 -0.00516 179 3PX 0.00000 0.00000 0.00000 0.00052 0.00000 180 3PY -0.00629 0.00000 -0.00516 0.00000 -0.02518 181 3PZ 0.00000 0.00014 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00006 183 4YY 0.00001 0.00000 -0.00029 0.00000 0.00002 184 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00005 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00220 -0.02177 -0.00267 166 167 168 169 170 166 3PZ 0.30850 167 4XX 0.00000 0.00104 168 4YY 0.00000 -0.00011 0.00294 169 4ZZ 0.00000 0.00001 -0.00008 0.00079 170 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 171 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 177 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00002 -0.00029 0.00002 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 -0.00006 0.00002 -0.00005 0.00000 181 3PZ 0.00163 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 171 172 173 174 175 171 4XZ 0.00045 172 4YZ 0.00000 0.00151 173 22 O 1S 0.00000 0.00000 2.07557 174 2S 0.00000 0.00000 -0.04159 0.50359 175 2PX 0.00000 0.00000 0.00000 0.00000 0.64791 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.04102 0.45246 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.20361 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00051 -0.00156 0.00000 183 4YY 0.00000 0.00000 -0.00042 -0.00456 0.00000 184 4ZZ 0.00000 0.00000 -0.00047 -0.00299 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00001 0.00000 0.00000 -0.00005 -0.00023 189 2S 0.00002 0.00001 0.00006 -0.00107 -0.00553 176 177 178 179 180 176 2PY 0.66560 177 2PZ 0.00000 0.71652 178 3S 0.00000 0.00000 0.75618 179 3PX 0.00000 0.00000 0.00000 0.26578 180 3PY 0.21181 0.00000 0.00000 0.00000 0.26979 181 3PZ 0.00000 0.23211 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 184 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 189 2S -0.00102 0.00091 -0.00220 -0.02177 -0.00266 181 182 183 184 185 181 3PZ 0.30851 182 4XX 0.00000 0.00104 183 4YY 0.00000 -0.00011 0.00294 184 4ZZ 0.00000 0.00001 -0.00008 0.00079 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 189 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 186 187 188 189 186 4XZ 0.00045 187 4YZ 0.00000 0.00151 188 23 H 1S 0.00001 0.00000 0.22350 189 2S 0.00002 0.00001 0.11454 0.16571 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64894 4 2PY 0.74795 5 2PZ 0.68316 6 3S 0.50002 7 3PX 0.32198 8 3PY 0.20203 9 3PZ 0.30108 10 4XX -0.01176 11 4YY 0.00154 12 4ZZ -0.00527 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99191 17 2S 0.70501 18 2PX 0.64894 19 2PY 0.74795 20 2PZ 0.68316 21 3S 0.50002 22 3PX 0.32198 23 3PY 0.20203 24 3PZ 0.30108 25 4XX -0.01176 26 4YY 0.00155 27 4ZZ -0.00527 28 4XY 0.00869 29 4XZ 0.00540 30 4YZ 0.00997 31 3 C 1S 1.99262 32 2S 0.70383 33 2PX 0.61235 34 2PY 0.72535 35 2PZ 0.68245 36 3S 0.59619 37 3PX 0.32769 38 3PY 0.24310 39 3PZ 0.25794 40 4XX -0.01515 41 4YY 0.01157 42 4ZZ -0.00535 43 4XY 0.00395 44 4XZ 0.00662 45 4YZ 0.00631 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58935 52 3PX 0.33284 53 3PY 0.27009 54 3PZ 0.28728 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00969 60 4YZ 0.00762 61 5 C 1S 1.99220 62 2S 0.68132 63 2PX 0.72499 64 2PY 0.68460 65 2PZ 0.69614 66 3S 0.58935 67 3PX 0.33284 68 3PY 0.27010 69 3PZ 0.28727 70 4XX 0.00505 71 4YY -0.00217 72 4ZZ -0.00062 73 4XY 0.00716 74 4XZ 0.00968 75 4YZ 0.00762 76 6 C 1S 1.99262 77 2S 0.70383 78 2PX 0.61235 79 2PY 0.72535 80 2PZ 0.68245 81 3S 0.59619 82 3PX 0.32769 83 3PY 0.24311 84 3PZ 0.25794 85 4XX -0.01515 86 4YY 0.01157 87 4ZZ -0.00535 88 4XY 0.00395 89 4XZ 0.00662 90 4YZ 0.00631 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53307 94 2S 0.35110 95 9 H 1S 0.53359 96 2S 0.34361 97 10 H 1S 0.53199 98 2S 0.32147 99 11 H 1S 0.53199 100 2S 0.32147 101 12 H 1S 0.53359 102 2S 0.34361 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.52953 106 2S 0.32409 107 15 C 1S 1.99219 108 2S 0.70394 109 2PX 0.59316 110 2PY 0.75708 111 2PZ 0.65431 112 3S 0.49498 113 3PX 0.25385 114 3PY 0.17399 115 3PZ 0.26763 116 4XX -0.00742 117 4YY 0.00526 118 4ZZ -0.00003 119 4XY 0.01112 120 4XZ 0.01091 121 4YZ 0.01425 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59316 125 2PY 0.75710 126 2PZ 0.65429 127 3S 0.49498 128 3PX 0.25385 129 3PY 0.17399 130 3PZ 0.26763 131 4XX -0.00742 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99193 138 2S 0.70992 139 2PX 0.73003 140 2PY 0.53059 141 2PZ 0.72491 142 3S 0.45533 143 3PX 0.24767 144 3PY 0.09849 145 3PZ 0.23699 146 4XX 0.01406 147 4YY 0.00335 148 4ZZ 0.01373 149 4XY 0.01768 150 4XZ 0.00681 151 4YZ 0.01937 152 18 H 1S 0.52970 153 2S 0.30213 154 19 H 1S 0.54161 155 2S 0.31784 156 20 H 1S 0.52970 157 2S 0.30213 158 21 O 1S 1.99234 159 2S 0.89932 160 2PX 0.93697 161 2PY 0.96357 162 2PZ 1.01234 163 3S 1.00625 164 3PX 0.52123 165 3PY 0.55961 166 3PZ 0.56877 167 4XX 0.00128 168 4YY -0.00122 169 4ZZ -0.00484 170 4XY 0.00765 171 4XZ 0.00371 172 4YZ 0.00696 173 22 O 1S 1.99234 174 2S 0.89932 175 2PX 0.93697 176 2PY 0.96356 177 2PZ 1.01236 178 3S 1.00625 179 3PX 0.52123 180 3PY 0.55960 181 3PZ 0.56879 182 4XX 0.00128 183 4YY -0.00122 184 4ZZ -0.00484 185 4XY 0.00765 186 4XZ 0.00371 187 4YZ 0.00696 188 23 H 1S 0.54013 189 2S 0.30933 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906235 0.509922 -0.043945 -0.031231 -0.023518 0.553424 2 C 0.509922 4.906237 0.553423 -0.023518 -0.031231 -0.043945 3 C -0.043945 0.553423 4.999268 0.374477 -0.033023 -0.022711 4 C -0.031231 -0.023518 0.374477 5.060585 0.333676 -0.033023 5 C -0.023518 -0.031231 -0.033023 0.333676 5.060585 0.374477 6 C 0.553424 -0.043945 -0.022711 -0.033023 0.374477 4.999266 7 H 0.367131 -0.051751 0.006077 -0.000156 0.005698 -0.052127 8 H -0.051751 0.367131 -0.052127 0.005698 -0.000156 0.006077 9 H 0.007379 -0.042416 0.361913 -0.051199 0.005215 0.000137 10 H 0.001074 0.003493 -0.033816 0.352747 -0.027675 0.001389 11 H 0.003493 0.001074 0.001389 -0.027675 0.352747 -0.033816 12 H -0.042416 0.007379 0.000137 0.005215 -0.051199 0.361914 13 H -0.005863 0.001688 0.002384 -0.034061 0.375819 -0.039434 14 H 0.001688 -0.005863 -0.039434 0.375819 -0.034061 0.002384 15 C -0.016894 -0.022835 -0.006324 -0.014419 -0.004120 0.109652 16 C -0.022835 -0.016895 0.109652 -0.004120 -0.014419 -0.006324 17 C -0.000126 -0.000126 0.000260 -0.000449 -0.000449 0.000260 18 H 0.002106 -0.004215 -0.018627 0.000461 0.000286 0.001041 19 H -0.000062 -0.000062 0.000715 0.000522 0.000522 0.000715 20 H -0.004215 0.002106 0.001041 0.000286 0.000461 -0.018626 21 O 0.000580 0.000474 -0.000388 0.000320 -0.004495 -0.010795 22 O 0.000474 0.000580 -0.010795 -0.004495 0.000320 -0.000388 23 H 0.000006 0.000006 -0.000074 0.000065 0.000065 -0.000074 7 8 9 10 11 12 1 C 0.367131 -0.051751 0.007379 0.001074 0.003493 -0.042416 2 C -0.051751 0.367131 -0.042416 0.003493 0.001074 0.007379 3 C 0.006077 -0.052127 0.361913 -0.033816 0.001389 0.000137 4 C -0.000156 0.005698 -0.051199 0.352747 -0.027675 0.005215 5 C 0.005698 -0.000156 0.005215 -0.027675 0.352747 -0.051199 6 C -0.052127 0.006077 0.000137 0.001389 -0.033816 0.361914 7 H 0.624219 -0.007408 -0.000145 0.000017 -0.000199 -0.007995 8 H -0.007408 0.624219 -0.007995 -0.000199 0.000017 -0.000145 9 H -0.000145 -0.007995 0.613632 -0.000666 -0.000156 -0.000004 10 H 0.000017 -0.000199 -0.000666 0.605948 -0.012412 -0.000156 11 H -0.000199 0.000017 -0.000156 -0.012412 0.605948 -0.000666 12 H -0.007995 -0.000145 -0.000004 -0.000156 -0.000666 0.613632 13 H -0.000050 -0.000001 -0.000112 0.004405 -0.042569 -0.000656 14 H -0.000001 -0.000050 -0.000656 -0.042569 0.004405 -0.000112 15 C 0.000631 -0.000074 0.001100 0.000553 -0.010505 -0.008903 16 C -0.000074 0.000631 -0.008903 -0.010505 0.000553 0.001099 17 C 0.000000 0.000000 -0.000038 -0.000291 -0.000291 -0.000038 18 H 0.000020 0.000298 -0.000380 0.000522 -0.000050 -0.000034 19 H 0.000000 0.000000 0.000009 -0.001803 -0.001803 0.000009 20 H 0.000298 0.000020 -0.000034 -0.000050 0.000522 -0.000380 21 O -0.000014 0.000001 -0.000011 0.000124 0.013076 0.000523 22 O 0.000001 -0.000014 0.000523 0.013076 0.000124 -0.000011 23 H 0.000000 0.000000 0.000000 0.000259 0.000259 0.000000 13 14 15 16 17 18 1 C -0.005863 0.001688 -0.016894 -0.022835 -0.000126 0.002106 2 C 0.001688 -0.005863 -0.022835 -0.016895 -0.000126 -0.004215 3 C 0.002384 -0.039434 -0.006324 0.109652 0.000260 -0.018627 4 C -0.034061 0.375819 -0.014419 -0.004120 -0.000449 0.000461 5 C 0.375819 -0.034061 -0.004120 -0.014419 -0.000449 0.000286 6 C -0.039434 0.002384 0.109652 -0.006324 0.000260 0.001041 7 H -0.000050 -0.000001 0.000631 -0.000074 0.000000 0.000020 8 H -0.000001 -0.000050 -0.000074 0.000631 0.000000 0.000298 9 H -0.000112 -0.000656 0.001100 -0.008903 -0.000038 -0.000380 10 H 0.004405 -0.042569 0.000553 -0.010505 -0.000291 0.000522 11 H -0.042569 0.004405 -0.010505 0.000553 -0.000291 -0.000050 12 H -0.000656 -0.000112 -0.008903 0.001099 -0.000038 -0.000034 13 H 0.602092 -0.012446 0.002064 0.000341 -0.000014 0.000003 14 H -0.012446 0.602092 0.000341 0.002064 -0.000014 -0.000059 15 C 0.002064 0.000341 4.923710 0.490227 -0.058175 -0.042177 16 C 0.000341 0.002064 0.490227 4.923712 -0.058175 0.381033 17 C -0.000014 -0.000014 -0.058175 -0.058175 4.669071 0.005649 18 H 0.000003 -0.000059 -0.042177 0.381033 0.005649 0.540693 19 H 0.000088 0.000088 0.004888 0.004888 0.360618 -0.000394 20 H -0.000059 0.000003 0.381033 -0.042177 0.005649 -0.000192 21 O 0.000029 -0.000028 0.230650 -0.039178 0.255654 0.002500 22 O -0.000028 0.000029 -0.039178 0.230650 0.255654 -0.036732 23 H -0.000002 -0.000002 0.003982 0.003982 0.366229 0.000081 19 20 21 22 23 1 C -0.000062 -0.004215 0.000580 0.000474 0.000006 2 C -0.000062 0.002106 0.000474 0.000580 0.000006 3 C 0.000715 0.001041 -0.000388 -0.010795 -0.000074 4 C 0.000522 0.000286 0.000320 -0.004495 0.000065 5 C 0.000522 0.000461 -0.004495 0.000320 0.000065 6 C 0.000715 -0.018626 -0.010795 -0.000388 -0.000074 7 H 0.000000 0.000298 -0.000014 0.000001 0.000000 8 H 0.000000 0.000020 0.000001 -0.000014 0.000000 9 H 0.000009 -0.000034 -0.000011 0.000523 0.000000 10 H -0.001803 -0.000050 0.000124 0.013076 0.000259 11 H -0.001803 0.000522 0.013076 0.000124 0.000259 12 H 0.000009 -0.000380 0.000523 -0.000011 0.000000 13 H 0.000088 -0.000059 0.000029 -0.000028 -0.000002 14 H 0.000088 0.000003 -0.000028 0.000029 -0.000002 15 C 0.004888 0.381033 0.230650 -0.039178 0.003982 16 C 0.004888 -0.042177 -0.039178 0.230650 0.003982 17 C 0.360618 0.005649 0.255654 0.255654 0.366229 18 H -0.000394 -0.000192 0.002500 -0.036732 0.000081 19 H 0.665553 -0.000394 -0.050949 -0.050949 -0.072751 20 H -0.000394 0.540693 -0.036732 0.002500 0.000081 21 O -0.050949 -0.036732 8.190565 -0.042486 -0.035467 22 O -0.050949 0.002500 -0.042486 8.190567 -0.035467 23 H -0.072751 0.000081 -0.035467 -0.035467 0.618281 Mulliken charges: 1 1 C -0.110655 2 C -0.110655 3 C -0.149472 4 C -0.285525 5 C -0.285525 6 C -0.149471 7 H 0.115827 8 H 0.115827 9 H 0.122806 10 H 0.146537 11 H 0.146537 12 H 0.122806 13 H 0.146380 14 H 0.146380 15 C 0.074775 16 C 0.074773 17 C 0.199142 18 H 0.168166 19 H 0.140551 20 H 0.168166 21 O -0.473954 22 O -0.473955 23 H 0.150540 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005172 2 C 0.005171 3 C -0.026665 4 C 0.007392 5 C 0.007392 6 C -0.026665 15 C 0.242940 16 C 0.242939 17 C 0.490233 21 O -0.473954 22 O -0.473955 APT charges: 1 1 C -0.099190 2 C -0.099193 3 C 0.123517 4 C 0.068947 5 C 0.068948 6 C 0.123517 7 H 0.001912 8 H 0.001912 9 H -0.027089 10 H -0.021302 11 H -0.021302 12 H -0.027089 13 H -0.041897 14 H -0.041897 15 C 0.345739 16 C 0.345736 17 C 0.788412 18 H 0.008173 19 H -0.070691 20 H 0.008173 21 O -0.678506 22 O -0.678504 23 H -0.078326 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.097278 2 C -0.097281 3 C 0.096428 4 C 0.005749 5 C 0.005749 6 C 0.096427 15 C 0.353911 16 C 0.353909 17 C 0.639395 21 O -0.678506 22 O -0.678504 Electronic spatial extent (au): = 1462.8819 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0000 Z= -0.2503 Tot= 0.3838 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0626 YY= -66.2574 ZZ= -61.0977 XY= -0.0002 XZ= 2.5925 YZ= -0.0004 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5901 YY= -1.7848 ZZ= 3.3749 XY= -0.0002 XZ= 2.5925 YZ= -0.0004 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3329 YYY= 0.0012 ZZZ= -4.5901 XYY= -4.5855 XXY= -0.0002 XXZ= 2.3253 XZZ= 4.2921 YZZ= -0.0004 YYZ= -4.6299 XYZ= -0.0007 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3480 YYYY= -454.0211 ZZZZ= -400.8193 XXXY= -0.0021 XXXZ= 25.2420 YYYX= -0.0006 YYYZ= -0.0035 ZZZX= -1.4241 ZZZY= -0.0008 XXYY= -270.3076 XXZZ= -230.4595 YYZZ= -137.0181 XXYZ= -0.0033 YYXZ= 2.4741 ZZXY= 0.0005 N-N= 6.505320749632D+02 E-N=-2.466032621009D+03 KE= 4.958567077781D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026208 2 O -19.176831 29.026295 3 O -10.292295 15.888379 4 O -10.238598 15.880970 5 O -10.238016 15.892084 6 O -10.186436 15.890011 7 O -10.186415 15.884503 8 O -10.180373 15.882765 9 O -10.180196 15.889178 10 O -10.169364 15.876087 11 O -10.168862 15.885790 12 O -1.107167 2.296507 13 O -1.013193 2.785727 14 O -0.829085 1.400528 15 O -0.765908 1.721679 16 O -0.733697 1.473754 17 O -0.728679 1.513931 18 O -0.643757 1.895236 19 O -0.614528 1.756497 20 O -0.603990 1.457235 21 O -0.584677 1.408521 22 O -0.532374 1.336071 23 O -0.511539 1.178826 24 O -0.494178 0.996042 25 O -0.470197 1.352489 26 O -0.446710 1.573926 27 O -0.443555 1.142914 28 O -0.441041 1.573860 29 O -0.405580 1.357448 30 O -0.397904 1.212966 31 O -0.389635 1.719091 32 O -0.384148 1.292330 33 O -0.373290 1.575260 34 O -0.355256 2.366376 35 O -0.348820 1.413681 36 O -0.328582 1.797044 37 O -0.319427 1.470108 38 O -0.317080 1.391307 39 O -0.286260 1.368458 40 O -0.198006 1.279525 41 O -0.185597 1.798748 42 V -0.006986 1.479521 43 V 0.010188 1.673711 44 V 0.083783 0.940066 45 V 0.112324 0.984489 46 V 0.119133 1.770304 47 V 0.122464 1.842747 48 V 0.123157 0.999982 49 V 0.135170 1.073462 50 V 0.144242 1.535468 51 V 0.145255 1.041194 52 V 0.163943 1.653337 53 V 0.171441 1.388378 54 V 0.177644 1.367820 55 V 0.192703 1.270994 56 V 0.197770 2.353406 57 V 0.203000 1.219641 58 V 0.228884 1.314356 59 V 0.236115 1.143568 60 V 0.242720 1.412635 61 V 0.249113 1.439826 62 V 0.304388 1.683484 63 V 0.313625 1.479583 64 V 0.326616 1.752354 65 V 0.370131 2.525593 66 V 0.432156 1.929565 67 V 0.473980 1.814291 68 V 0.477970 1.842649 69 V 0.491403 1.616026 70 V 0.508304 2.036349 71 V 0.523165 2.095556 72 V 0.546530 2.522556 73 V 0.547872 1.755727 74 V 0.548666 2.108132 75 V 0.568906 2.371560 76 V 0.579343 2.171883 77 V 0.607431 2.323811 78 V 0.613353 1.950964 79 V 0.618227 1.942484 80 V 0.636308 2.358937 81 V 0.663089 2.521659 82 V 0.678632 2.532018 83 V 0.712834 2.399483 84 V 0.722925 2.418522 85 V 0.740944 2.512572 86 V 0.751902 2.579590 87 V 0.775361 2.174653 88 V 0.795744 2.393635 89 V 0.798767 2.614799 90 V 0.810710 2.533001 91 V 0.828471 2.500804 92 V 0.842100 2.285843 93 V 0.854432 2.766066 94 V 0.864509 2.706380 95 V 0.880603 2.597050 96 V 0.884446 2.489185 97 V 0.885197 2.711069 98 V 0.887091 2.868284 99 V 0.898059 2.577242 100 V 0.913854 2.700571 101 V 0.937164 2.656117 102 V 0.940303 2.589414 103 V 0.951231 2.714860 104 V 1.007935 2.256288 105 V 1.014396 2.336380 106 V 1.022946 2.836179 107 V 1.027243 2.464843 108 V 1.092079 3.076150 109 V 1.099199 2.654380 110 V 1.114141 2.823468 111 V 1.149190 2.615966 112 V 1.151869 2.999838 113 V 1.189459 2.470838 114 V 1.204057 2.548185 115 V 1.251287 2.394799 116 V 1.264383 2.522627 117 V 1.367255 2.620161 118 V 1.370462 2.851690 119 V 1.398322 2.557515 120 V 1.427029 2.655152 121 V 1.432158 2.569738 122 V 1.438589 2.643850 123 V 1.475730 2.604522 124 V 1.492045 2.727364 125 V 1.526433 2.731813 126 V 1.585308 2.729136 127 V 1.639993 2.848138 128 V 1.661091 2.867842 129 V 1.720443 2.847268 130 V 1.723416 2.956517 131 V 1.758439 2.890013 132 V 1.770886 3.084055 133 V 1.794190 3.089673 134 V 1.859999 3.080320 135 V 1.877782 3.223031 136 V 1.885341 3.369074 137 V 1.908421 3.243962 138 V 1.935610 3.247703 139 V 1.958242 3.419402 140 V 1.976520 3.549614 141 V 1.978375 3.699059 142 V 1.981002 3.551985 143 V 2.000532 3.502380 144 V 2.019361 3.666524 145 V 2.041611 3.521274 146 V 2.088900 3.490903 147 V 2.120230 3.689765 148 V 2.140822 3.517947 149 V 2.160179 3.640524 150 V 2.230131 3.506010 151 V 2.254873 3.549660 152 V 2.262019 3.557626 153 V 2.279916 3.600181 154 V 2.291930 3.680413 155 V 2.309602 3.817282 156 V 2.318552 3.601925 157 V 2.371157 3.779128 158 V 2.401506 3.844964 159 V 2.434347 3.875043 160 V 2.448083 3.771374 161 V 2.451442 3.854212 162 V 2.484073 3.927498 163 V 2.522238 3.909227 164 V 2.545375 4.007345 165 V 2.598893 4.362531 166 V 2.627408 4.427880 167 V 2.645175 4.262189 168 V 2.675684 4.223220 169 V 2.692956 4.304449 170 V 2.694419 4.369068 171 V 2.736157 4.291618 172 V 2.765906 4.303007 173 V 2.803893 4.577668 174 V 2.866861 4.485884 175 V 2.879954 4.651919 176 V 2.944564 4.768120 177 V 3.105759 4.916567 178 V 3.131186 4.838698 179 V 4.006209 10.862414 180 V 4.105755 10.794553 181 V 4.127666 10.147715 182 V 4.252027 10.394615 183 V 4.268092 10.250264 184 V 4.362062 10.479326 185 V 4.370181 10.258821 186 V 4.448580 10.340599 187 V 4.489347 10.367748 188 V 4.649647 10.705353 189 V 4.874495 11.552514 Total kinetic energy from orbitals= 4.958567077781D+02 Exact polarizability: 121.186 -0.001 96.577 6.402 0.001 86.091 Approx polarizability: 204.009 -0.001 180.118 8.214 0.004 127.241 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -528.8038 -6.5951 -0.0009 0.0004 0.0005 1.2066 Low frequencies --- 12.4978 98.5310 123.3498 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.5987678 5.1133722 9.0046276 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- -528.8037 98.5262 123.3463 Red. masses -- 6.9481 4.2689 2.4727 Frc consts -- 1.1447 0.0244 0.0222 IR Inten -- 0.4122 0.0098 10.1100 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.06 -0.03 -0.08 0.09 -0.02 0.02 0.00 0.02 2 6 0.01 -0.06 -0.03 0.08 0.09 0.02 0.02 0.00 0.02 3 6 0.33 -0.08 -0.14 0.19 -0.06 0.01 0.01 0.00 0.03 4 6 0.00 0.00 0.02 0.07 -0.15 0.02 -0.03 0.00 0.04 5 6 0.00 0.00 0.02 -0.07 -0.15 -0.02 -0.03 0.00 0.04 6 6 0.33 0.08 -0.14 -0.19 -0.06 -0.01 0.01 0.00 0.03 7 1 -0.16 -0.01 0.14 -0.14 0.17 -0.03 0.03 0.00 0.01 8 1 -0.16 0.01 0.14 0.14 0.17 0.03 0.03 0.00 0.01 9 1 0.16 -0.06 -0.05 0.31 -0.06 0.07 0.02 0.00 0.03 10 1 -0.03 -0.01 0.14 0.09 -0.24 0.08 -0.04 0.01 0.08 11 1 -0.03 0.01 0.14 -0.09 -0.24 -0.08 -0.04 -0.01 0.08 12 1 0.16 0.06 -0.05 -0.31 -0.06 -0.07 0.02 0.00 0.03 13 1 -0.11 -0.02 -0.10 -0.07 -0.10 0.02 -0.06 0.01 0.02 14 1 -0.11 0.02 -0.10 0.07 -0.10 -0.02 -0.06 -0.01 0.02 15 6 -0.28 -0.10 0.20 0.05 -0.06 0.06 0.00 0.00 -0.02 16 6 -0.28 0.10 0.20 -0.05 -0.06 -0.06 0.00 0.00 -0.02 17 6 -0.04 0.00 -0.01 0.00 0.18 0.00 -0.18 0.00 0.15 18 1 0.23 -0.15 -0.19 -0.07 -0.18 -0.15 -0.04 0.00 -0.01 19 1 -0.04 0.00 -0.01 0.00 0.30 0.00 -0.67 0.00 0.06 20 1 0.23 0.15 -0.19 0.07 -0.18 0.15 -0.04 0.00 -0.01 21 8 -0.03 0.02 -0.03 0.03 0.08 0.15 0.09 0.01 -0.13 22 8 -0.03 -0.02 -0.03 -0.03 0.08 -0.15 0.09 -0.01 -0.13 23 1 -0.04 0.00 -0.01 0.00 0.18 0.00 -0.11 0.00 0.63 4 5 6 A A A Frequencies -- 135.1510 173.0399 200.0733 Red. masses -- 4.5156 4.0353 1.8496 Frc consts -- 0.0486 0.0712 0.0436 IR Inten -- 0.0262 0.4414 0.0462 Atom AN X Y Z X Y Z X Y Z 1 6 -0.08 -0.02 0.08 -0.05 0.00 0.06 0.02 -0.03 -0.02 2 6 0.08 -0.02 -0.08 -0.05 0.00 0.06 -0.02 -0.03 0.02 3 6 0.21 -0.07 -0.16 0.04 0.00 -0.06 0.00 -0.02 -0.01 4 6 -0.03 0.01 -0.05 0.21 0.00 -0.11 0.16 0.01 -0.05 5 6 0.03 0.01 0.05 0.21 0.00 -0.11 -0.16 0.01 0.05 6 6 -0.21 -0.07 0.16 0.04 0.00 -0.06 0.00 -0.02 0.01 7 1 -0.16 -0.05 0.15 -0.15 0.00 0.13 0.06 -0.02 -0.06 8 1 0.16 -0.05 -0.15 -0.15 0.00 0.13 -0.06 -0.02 0.06 9 1 0.28 -0.08 -0.22 0.04 0.00 -0.07 -0.03 -0.01 -0.02 10 1 -0.10 0.05 0.13 0.24 0.02 -0.23 0.31 -0.16 -0.31 11 1 0.10 0.05 -0.13 0.24 -0.02 -0.23 -0.31 -0.16 0.31 12 1 -0.28 -0.08 0.22 0.04 0.00 -0.07 0.03 -0.01 0.02 13 1 0.20 0.04 0.23 0.30 0.01 -0.02 -0.42 0.21 -0.10 14 1 -0.20 0.04 -0.23 0.30 -0.01 -0.02 0.42 0.21 0.10 15 6 0.06 0.07 -0.09 0.02 0.00 -0.09 0.01 0.02 0.00 16 6 -0.06 0.07 0.09 0.02 0.00 -0.09 -0.01 0.02 0.00 17 6 0.00 -0.02 0.00 -0.19 0.00 0.16 0.00 0.00 0.00 18 1 0.09 0.09 0.06 0.09 0.01 -0.10 0.00 0.03 0.01 19 1 0.00 -0.21 0.00 -0.30 0.00 0.13 0.00 -0.05 0.00 20 1 -0.09 0.09 -0.06 0.09 -0.01 -0.10 0.00 0.03 -0.01 21 8 0.08 0.02 -0.18 -0.12 0.00 0.09 0.04 0.01 -0.05 22 8 -0.08 0.02 0.18 -0.12 0.00 0.09 -0.04 0.01 0.05 23 1 0.00 0.06 0.00 -0.17 0.00 0.27 0.00 0.05 0.00 7 8 9 A A A Frequencies -- 244.2556 278.3721 369.6586 Red. masses -- 6.9573 4.5427 3.0234 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3912 0.2550 0.6313 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.12 -0.03 0.25 0.00 -0.08 -0.04 0.00 0.12 2 6 -0.02 0.12 0.03 0.25 0.00 -0.08 -0.04 0.00 0.12 3 6 -0.06 0.10 0.08 0.05 0.01 0.10 0.12 -0.01 -0.04 4 6 -0.04 0.08 0.05 0.00 0.00 0.11 -0.13 0.00 0.04 5 6 0.04 0.08 -0.05 0.00 0.00 0.11 -0.13 0.00 0.04 6 6 0.06 0.10 -0.08 0.05 -0.01 0.10 0.12 0.01 -0.04 7 1 0.02 0.14 -0.05 0.46 0.00 -0.23 -0.15 0.02 0.18 8 1 -0.02 0.14 0.05 0.46 0.00 -0.23 -0.15 -0.02 0.18 9 1 0.00 0.09 0.06 0.08 0.01 0.12 0.20 -0.03 -0.08 10 1 -0.05 0.10 0.06 -0.01 0.00 0.14 -0.19 -0.01 0.28 11 1 0.05 0.10 -0.06 -0.01 0.00 0.14 -0.19 0.01 0.28 12 1 0.00 0.09 -0.06 0.08 -0.01 0.12 0.20 0.03 -0.08 13 1 0.05 0.00 -0.07 -0.02 -0.01 0.09 -0.32 0.00 -0.15 14 1 -0.05 0.00 0.07 -0.02 0.01 0.09 -0.32 0.00 -0.15 15 6 0.12 -0.25 0.00 -0.05 0.01 -0.12 0.12 0.00 -0.16 16 6 -0.12 -0.25 0.00 -0.05 -0.01 -0.12 0.12 0.00 -0.16 17 6 0.00 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 -0.01 18 1 -0.22 -0.31 -0.01 -0.08 0.03 -0.07 0.18 0.01 -0.17 19 1 0.00 -0.08 0.00 -0.04 0.00 -0.04 0.05 0.00 0.00 20 1 0.22 -0.31 0.01 -0.08 -0.03 -0.07 0.18 -0.01 -0.17 21 8 0.31 -0.06 -0.10 -0.17 -0.01 0.01 -0.03 -0.01 0.03 22 8 -0.31 -0.06 0.10 -0.17 0.01 0.01 -0.03 0.01 0.03 23 1 0.00 0.35 0.00 -0.14 0.00 -0.13 -0.01 0.00 -0.07 10 11 12 A A A Frequencies -- 507.8234 539.4738 592.9140 Red. masses -- 4.7173 4.0283 3.8952 Frc consts -- 0.7168 0.6907 0.8068 IR Inten -- 6.5671 0.8382 0.0385 Atom AN X Y Z X Y Z X Y Z 1 6 -0.14 0.04 0.20 0.21 0.14 0.00 0.04 -0.06 -0.16 2 6 0.14 0.04 -0.20 -0.21 0.14 0.00 -0.04 -0.06 0.16 3 6 -0.11 0.05 0.02 -0.02 0.03 -0.14 0.10 -0.03 0.01 4 6 -0.02 -0.11 -0.05 -0.03 -0.15 -0.16 0.01 0.06 0.04 5 6 0.02 -0.11 0.05 0.03 -0.15 0.16 -0.01 0.06 -0.04 6 6 0.11 0.05 -0.02 0.02 0.03 0.14 -0.10 -0.03 -0.01 7 1 -0.31 -0.03 0.37 0.45 0.05 -0.11 0.18 0.04 -0.33 8 1 0.31 -0.03 -0.37 -0.45 0.05 0.11 -0.18 0.04 0.33 9 1 0.03 0.03 0.06 0.01 0.05 0.10 -0.05 -0.02 -0.02 10 1 0.02 -0.10 -0.17 -0.08 -0.09 -0.12 -0.05 0.08 0.25 11 1 -0.02 -0.10 0.17 0.08 -0.09 0.12 0.05 0.08 -0.25 12 1 -0.03 0.03 -0.06 -0.01 0.05 -0.10 0.05 -0.02 0.02 13 1 -0.10 -0.10 -0.06 0.09 -0.09 0.25 0.17 0.03 0.11 14 1 0.10 -0.10 0.06 -0.09 -0.09 -0.25 -0.17 0.03 -0.11 15 6 -0.20 0.00 0.17 0.00 0.00 0.03 -0.19 0.00 0.18 16 6 0.20 0.00 -0.17 0.00 0.00 -0.03 0.19 0.00 -0.18 17 6 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 18 1 0.13 0.03 -0.12 0.10 -0.05 -0.11 0.24 -0.04 -0.23 19 1 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 -0.01 0.00 20 1 -0.13 0.03 0.12 -0.10 -0.05 0.11 -0.24 -0.04 0.23 21 8 0.06 0.03 -0.06 0.01 -0.01 -0.01 0.05 0.03 -0.06 22 8 -0.06 0.03 0.06 -0.01 -0.01 0.01 -0.05 0.03 0.06 23 1 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 13 14 15 A A A Frequencies -- 595.6407 707.3975 745.7504 Red. masses -- 5.4319 1.2350 5.6443 Frc consts -- 1.1354 0.3641 1.8495 IR Inten -- 0.8943 31.5990 1.8721 Atom AN X Y Z X Y Z X Y Z 1 6 0.14 -0.03 0.17 -0.04 -0.02 0.04 -0.03 -0.01 0.04 2 6 0.14 0.03 0.17 -0.04 0.02 0.04 -0.03 0.01 0.04 3 6 0.02 0.31 -0.02 0.01 -0.05 -0.01 -0.01 0.01 0.01 4 6 -0.05 0.05 -0.20 0.00 0.00 -0.02 -0.02 0.01 0.00 5 6 -0.05 -0.05 -0.20 0.00 0.00 -0.02 -0.02 -0.01 0.00 6 6 0.02 -0.31 -0.02 0.01 0.05 -0.01 -0.01 -0.01 0.01 7 1 0.03 0.21 0.08 0.31 0.03 -0.24 0.27 0.07 -0.22 8 1 0.03 -0.21 0.08 0.31 -0.03 -0.24 0.27 -0.07 -0.22 9 1 0.04 0.30 -0.09 0.39 -0.11 -0.24 0.20 -0.02 -0.13 10 1 -0.09 -0.04 0.04 0.00 0.02 -0.02 0.03 -0.04 -0.07 11 1 -0.09 0.04 0.04 0.00 -0.02 -0.02 0.03 0.04 -0.07 12 1 0.04 -0.30 -0.09 0.39 0.11 -0.24 0.20 0.02 -0.13 13 1 -0.14 0.11 -0.20 -0.01 0.01 -0.02 0.05 -0.04 0.05 14 1 -0.14 -0.11 -0.20 -0.01 -0.01 -0.02 0.05 0.04 0.05 15 6 -0.05 0.02 0.07 0.01 0.02 0.03 -0.09 0.02 -0.09 16 6 -0.05 -0.02 0.07 0.01 -0.02 0.03 -0.09 -0.02 -0.09 17 6 -0.01 0.00 -0.01 -0.02 0.00 -0.01 0.13 0.00 0.13 18 1 -0.20 0.00 0.14 -0.26 0.06 0.19 0.14 0.22 0.04 19 1 -0.02 0.00 -0.01 -0.03 0.00 -0.02 0.26 0.00 0.18 20 1 -0.20 0.00 0.14 -0.26 -0.06 0.19 0.14 -0.22 0.04 21 8 -0.01 0.00 -0.01 -0.01 -0.04 0.00 0.00 0.36 0.00 22 8 -0.01 0.00 -0.01 -0.01 0.04 0.00 0.00 -0.36 0.00 23 1 -0.01 0.00 -0.01 -0.02 0.00 -0.01 0.15 0.00 0.10 16 17 18 A A A Frequencies -- 782.8989 811.9919 834.9235 Red. masses -- 1.2027 1.8122 1.4812 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7276 0.0034 19.2701 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.00 0.03 -0.10 -0.04 0.02 -0.06 -0.01 0.00 2 6 -0.03 0.00 0.03 0.10 -0.04 -0.02 0.06 -0.01 0.00 3 6 -0.02 0.05 0.00 0.02 0.06 -0.01 0.02 0.02 -0.01 4 6 -0.03 0.03 0.02 0.03 -0.02 -0.03 0.02 -0.01 -0.06 5 6 -0.03 -0.03 0.02 -0.03 -0.02 0.03 -0.02 -0.01 0.06 6 6 -0.02 -0.05 0.00 -0.02 0.06 0.01 -0.02 0.02 0.01 7 1 0.22 0.09 -0.21 0.15 0.00 -0.17 0.14 0.04 -0.18 8 1 0.22 -0.09 -0.21 -0.15 0.00 0.17 -0.14 0.04 0.18 9 1 0.06 0.03 -0.08 -0.47 0.14 0.25 -0.17 0.05 0.10 10 1 0.07 -0.09 -0.16 0.00 -0.04 0.10 -0.03 0.01 0.05 11 1 0.07 0.09 -0.16 0.00 -0.04 -0.10 0.03 0.01 -0.05 12 1 0.06 -0.03 -0.08 0.47 0.14 -0.25 0.17 0.05 -0.10 13 1 0.15 -0.12 0.15 0.06 -0.03 0.11 0.07 0.02 0.15 14 1 0.15 0.12 0.15 -0.06 -0.03 -0.11 -0.07 0.02 -0.15 15 6 -0.01 -0.02 0.00 0.08 0.07 0.02 -0.08 -0.06 -0.05 16 6 -0.01 0.02 0.00 -0.08 0.07 -0.02 0.08 -0.06 0.05 17 6 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 0.03 0.00 18 1 0.37 -0.21 -0.32 0.18 -0.05 -0.21 -0.36 0.21 0.42 19 1 -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 0.06 0.00 20 1 0.37 0.21 -0.32 -0.18 -0.05 0.21 0.36 0.21 -0.42 21 8 0.01 -0.03 0.00 0.04 -0.05 0.03 0.00 0.01 0.01 22 8 0.01 0.03 0.00 -0.04 -0.05 -0.03 0.00 0.01 -0.01 23 1 0.00 0.00 0.01 0.00 0.03 0.00 0.00 0.08 0.00 19 20 21 A A A Frequencies -- 840.1730 855.6472 875.8202 Red. masses -- 2.2465 1.4309 3.2614 Frc consts -- 0.9343 0.6172 1.4740 IR Inten -- 0.0201 0.2012 20.3569 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.01 -0.05 -0.02 0.01 0.04 0.04 0.02 -0.03 2 6 -0.05 0.01 -0.05 -0.02 -0.01 0.04 -0.04 0.02 0.03 3 6 -0.03 0.08 -0.05 -0.02 -0.05 0.05 0.00 -0.04 0.01 4 6 0.11 0.14 0.10 0.05 -0.06 -0.08 -0.02 0.01 -0.01 5 6 0.11 -0.14 0.10 0.05 0.06 -0.08 0.02 0.01 0.01 6 6 -0.03 -0.08 -0.05 -0.02 0.05 0.05 0.00 -0.04 -0.01 7 1 -0.03 0.02 -0.09 0.26 -0.01 -0.14 -0.13 0.01 0.10 8 1 -0.03 -0.02 -0.09 0.26 0.01 -0.14 0.13 0.01 -0.10 9 1 -0.01 0.07 -0.24 -0.14 -0.03 0.18 0.21 -0.07 -0.09 10 1 -0.08 0.41 0.35 -0.13 0.18 0.17 -0.01 0.04 -0.05 11 1 -0.08 -0.41 0.35 -0.13 -0.18 0.17 0.01 0.04 0.05 12 1 -0.01 -0.07 -0.24 -0.14 0.03 0.18 -0.21 -0.07 0.09 13 1 -0.21 0.15 -0.06 -0.22 0.31 -0.21 0.00 0.03 0.00 14 1 -0.21 -0.15 -0.06 -0.22 -0.31 -0.21 0.00 0.03 0.00 15 6 0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 0.17 0.08 16 6 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.17 -0.08 17 6 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.12 0.00 18 1 0.04 -0.04 -0.03 0.18 -0.12 -0.16 -0.35 0.38 0.20 19 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 20 1 0.04 0.04 -0.03 0.18 0.12 -0.16 0.35 0.38 -0.20 21 8 0.00 0.01 0.00 0.00 0.00 0.00 0.13 -0.11 0.11 22 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.13 -0.11 -0.11 23 1 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.16 0.00 22 23 24 A A A Frequencies -- 924.8017 948.6681 961.8716 Red. masses -- 2.2214 3.1667 1.2944 Frc consts -- 1.1194 1.6791 0.7056 IR Inten -- 0.6131 48.4336 1.5844 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 0.04 -0.04 0.02 0.01 -0.04 0.03 -0.03 -0.04 2 6 0.04 0.04 0.04 -0.02 0.01 0.04 0.03 0.03 -0.04 3 6 -0.02 -0.12 0.09 0.00 -0.03 0.02 -0.05 0.01 0.06 4 6 -0.05 0.04 -0.14 -0.01 0.01 -0.04 0.00 -0.04 -0.02 5 6 0.05 0.04 0.14 0.01 0.01 0.04 0.00 0.04 -0.02 6 6 0.02 -0.12 -0.09 0.00 -0.03 -0.02 -0.05 -0.01 0.06 7 1 -0.22 0.24 -0.07 -0.22 0.03 0.11 -0.24 -0.10 0.20 8 1 0.22 0.24 0.07 0.22 0.03 -0.11 -0.24 0.10 0.20 9 1 -0.05 -0.11 0.25 -0.06 -0.02 0.08 0.50 -0.07 -0.15 10 1 -0.09 0.24 -0.28 -0.02 0.06 -0.06 -0.03 0.01 0.01 11 1 0.09 0.24 0.28 0.02 0.06 0.06 -0.03 -0.01 0.01 12 1 0.05 -0.11 -0.25 0.06 -0.02 -0.08 0.50 0.07 -0.15 13 1 0.05 0.20 0.21 0.00 0.05 0.05 -0.02 0.15 0.02 14 1 -0.05 0.20 -0.21 0.00 0.05 -0.05 -0.02 -0.15 0.02 15 6 0.03 0.00 0.01 -0.04 0.01 -0.03 0.00 0.03 0.03 16 6 -0.03 0.00 -0.01 0.04 0.01 0.03 0.00 -0.03 0.03 17 6 0.00 -0.06 0.00 0.00 0.32 0.00 -0.01 0.00 -0.01 18 1 0.01 -0.10 -0.11 0.39 0.20 0.06 0.12 -0.20 -0.15 19 1 0.00 -0.05 0.00 0.00 0.19 0.00 -0.02 0.00 -0.01 20 1 -0.01 -0.10 0.11 -0.39 0.20 -0.06 0.12 0.20 -0.15 21 8 -0.01 0.04 -0.01 -0.03 -0.16 -0.03 -0.01 0.02 -0.01 22 8 0.01 0.04 0.01 0.03 -0.16 0.03 -0.01 -0.02 -0.01 23 1 0.00 -0.12 0.00 0.00 0.47 0.00 0.00 0.00 0.00 25 26 27 A A A Frequencies -- 962.4974 1007.0700 1012.0921 Red. masses -- 1.7862 5.4123 1.7600 Frc consts -- 0.9750 3.2341 1.0622 IR Inten -- 12.9606 19.6831 7.3880 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.04 0.12 0.00 0.01 0.03 0.08 0.06 0.05 2 6 0.03 0.04 -0.12 0.00 -0.01 0.03 -0.08 0.06 -0.05 3 6 -0.01 -0.10 0.02 0.02 -0.03 -0.04 0.05 -0.09 -0.04 4 6 -0.02 0.04 0.06 -0.01 0.02 0.01 0.02 0.03 0.08 5 6 0.02 0.04 -0.06 -0.01 -0.02 0.01 -0.02 0.03 -0.08 6 6 0.01 -0.10 -0.02 0.02 0.03 -0.04 -0.05 -0.09 0.04 7 1 0.51 0.13 -0.33 0.09 0.01 -0.04 -0.15 -0.02 0.27 8 1 -0.51 0.13 0.33 0.09 -0.01 -0.04 0.15 -0.02 -0.27 9 1 0.13 -0.11 0.01 -0.23 0.00 0.02 -0.49 0.00 0.33 10 1 0.02 0.06 -0.09 0.02 -0.04 0.00 0.04 0.01 0.05 11 1 -0.02 0.06 0.09 0.02 0.04 0.00 -0.04 0.01 -0.05 12 1 -0.13 -0.11 -0.01 -0.23 0.00 0.02 0.49 0.00 -0.33 13 1 -0.06 0.08 -0.12 0.04 -0.12 0.00 -0.01 0.05 -0.06 14 1 0.06 0.08 0.12 0.04 0.12 0.00 0.01 0.05 0.06 15 6 -0.01 0.01 0.01 0.21 0.06 0.18 -0.02 -0.02 0.01 16 6 0.01 0.01 -0.01 0.21 -0.06 0.18 0.02 -0.02 -0.01 17 6 0.00 0.03 0.00 -0.27 0.00 -0.27 0.00 -0.02 0.00 18 1 0.07 0.04 -0.01 0.15 -0.24 0.08 -0.08 0.01 0.05 19 1 0.00 0.03 0.00 -0.26 0.00 -0.27 0.00 0.00 0.00 20 1 -0.07 0.04 0.01 0.15 0.24 0.08 0.08 0.01 -0.05 21 8 0.00 -0.02 0.00 -0.05 0.16 -0.02 0.01 0.01 0.00 22 8 0.00 -0.02 0.00 -0.05 -0.16 -0.02 -0.01 0.01 0.00 23 1 0.00 0.06 0.00 -0.27 0.00 -0.26 0.00 -0.02 0.00 28 29 30 A A A Frequencies -- 1022.2332 1053.6314 1071.1396 Red. masses -- 2.7684 1.9942 2.0401 Frc consts -- 1.7044 1.3043 1.3791 IR Inten -- 5.1916 5.9462 96.9548 Atom AN X Y Z X Y Z X Y Z 1 6 -0.11 -0.11 -0.07 0.03 0.02 0.06 -0.01 -0.03 0.00 2 6 -0.11 0.11 -0.07 -0.03 0.02 -0.06 -0.01 0.03 0.00 3 6 0.05 0.13 -0.02 -0.07 -0.04 0.05 0.03 0.00 -0.04 4 6 0.03 -0.15 0.06 0.17 0.01 -0.01 0.01 -0.01 0.02 5 6 0.03 0.15 0.06 -0.17 0.01 0.01 0.01 0.01 0.02 6 6 0.05 -0.13 -0.02 0.07 -0.04 -0.05 0.03 0.00 -0.04 7 1 0.03 -0.07 -0.21 0.00 0.01 0.08 0.05 -0.08 -0.01 8 1 0.03 0.07 -0.21 0.00 0.01 -0.08 0.05 0.08 -0.01 9 1 0.15 0.17 0.33 0.13 -0.07 -0.06 -0.14 0.03 0.08 10 1 0.05 -0.32 0.23 -0.02 0.13 0.44 0.03 -0.10 0.06 11 1 0.05 0.32 0.23 0.02 0.13 -0.44 0.03 0.10 0.06 12 1 0.15 -0.17 0.33 -0.13 -0.07 0.06 -0.14 -0.03 0.08 13 1 0.03 0.17 0.06 0.25 -0.05 0.38 0.00 -0.12 -0.05 14 1 0.03 -0.17 0.06 -0.25 -0.05 -0.38 0.00 0.12 -0.05 15 6 0.01 -0.02 0.00 0.03 0.01 0.03 0.04 0.11 0.03 16 6 0.01 0.02 0.00 -0.03 0.01 -0.03 0.04 -0.11 0.03 17 6 -0.03 0.00 -0.03 0.00 0.02 0.00 0.12 0.00 0.13 18 1 -0.01 0.13 0.09 -0.06 0.00 -0.03 -0.29 -0.50 -0.16 19 1 -0.01 0.00 -0.02 0.00 -0.05 0.00 0.09 0.00 0.11 20 1 -0.01 -0.13 0.09 0.06 0.00 0.03 -0.29 0.50 -0.16 21 8 0.01 0.00 0.01 -0.02 -0.01 -0.01 -0.08 0.00 -0.06 22 8 0.01 0.00 0.01 0.02 -0.01 0.01 -0.08 0.00 -0.06 23 1 -0.03 0.00 -0.03 0.00 -0.02 0.00 0.12 0.00 0.11 31 32 33 A A A Frequencies -- 1095.2982 1111.4508 1158.1908 Red. masses -- 3.1548 1.7231 1.4831 Frc consts -- 2.2299 1.2541 1.1721 IR Inten -- 0.6391 0.6254 6.9877 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 -0.01 -0.01 0.04 0.10 0.03 0.00 0.00 0.00 2 6 0.02 -0.01 0.01 0.04 -0.10 0.03 0.00 0.00 0.00 3 6 0.02 0.01 -0.02 -0.04 0.00 -0.06 0.00 0.00 0.00 4 6 -0.04 0.00 0.01 0.02 -0.11 0.05 0.00 0.00 0.00 5 6 0.04 0.00 -0.01 0.02 0.11 0.05 0.00 0.00 0.00 6 6 -0.02 0.01 0.02 -0.04 0.00 -0.06 0.00 0.00 0.00 7 1 0.01 -0.01 -0.02 -0.13 0.47 -0.10 -0.01 0.02 -0.01 8 1 -0.01 -0.01 0.02 -0.13 -0.47 -0.10 -0.01 -0.02 -0.01 9 1 -0.04 0.03 0.01 -0.10 -0.03 -0.31 0.02 0.00 0.02 10 1 0.01 -0.05 -0.09 0.01 -0.16 0.12 -0.01 0.03 -0.02 11 1 -0.01 -0.05 0.09 0.01 0.16 0.12 -0.01 -0.03 -0.02 12 1 0.04 0.03 -0.01 -0.10 0.03 -0.31 0.02 0.00 0.02 13 1 -0.05 0.01 -0.08 0.03 0.24 0.11 0.01 0.03 0.02 14 1 0.05 0.01 0.08 0.03 -0.24 0.11 0.01 -0.03 0.02 15 6 0.13 0.00 0.21 0.01 0.01 0.00 0.02 -0.01 0.01 16 6 -0.13 0.00 -0.21 0.01 -0.01 0.00 0.02 0.01 0.01 17 6 0.00 0.12 0.00 0.01 0.00 0.01 -0.12 0.00 0.14 18 1 -0.58 0.12 0.04 -0.03 -0.03 0.00 0.02 0.01 0.01 19 1 0.00 -0.19 0.00 0.01 0.00 0.01 0.61 0.00 0.29 20 1 0.58 0.12 -0.04 -0.03 0.03 0.00 0.02 -0.01 0.01 21 8 -0.10 -0.04 -0.10 -0.01 0.00 0.00 0.02 -0.01 -0.05 22 8 0.10 -0.04 0.10 -0.01 0.00 0.00 0.02 0.01 -0.05 23 1 0.00 -0.16 0.00 0.01 0.00 0.01 -0.27 0.00 -0.65 34 35 36 A A A Frequencies -- 1184.5427 1184.7883 1206.1893 Red. masses -- 1.1410 1.1724 1.8401 Frc consts -- 0.9432 0.9696 1.5773 IR Inten -- 47.0469 0.0017 208.1848 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.02 -0.01 0.02 -0.03 0.02 0.00 -0.01 0.00 2 6 -0.01 -0.02 -0.01 -0.02 -0.03 -0.02 0.00 0.01 0.00 3 6 0.02 0.00 0.01 0.04 0.04 0.05 0.01 0.01 0.00 4 6 -0.01 0.02 0.00 -0.01 0.01 -0.01 -0.02 0.00 -0.01 5 6 -0.01 -0.02 0.00 0.01 0.01 0.01 -0.02 0.00 -0.01 6 6 0.02 0.00 0.01 -0.04 0.04 -0.05 0.01 -0.01 0.00 7 1 -0.17 0.38 -0.15 0.16 -0.36 0.15 0.10 -0.23 0.09 8 1 -0.17 -0.38 -0.15 -0.16 -0.36 -0.15 0.10 0.23 0.09 9 1 0.18 0.02 0.37 0.29 0.05 0.46 -0.10 0.00 -0.18 10 1 -0.06 0.28 -0.19 -0.01 0.06 -0.04 -0.02 0.01 -0.02 11 1 -0.06 -0.28 -0.19 0.01 0.06 0.04 -0.02 -0.01 -0.02 12 1 0.18 -0.02 0.37 -0.29 0.05 -0.46 -0.10 0.00 -0.18 13 1 0.02 0.03 0.05 0.01 0.10 0.05 0.07 0.27 0.20 14 1 0.02 -0.03 0.05 -0.01 0.10 -0.05 0.07 -0.27 0.20 15 6 0.03 -0.01 0.01 0.00 0.00 0.00 0.06 -0.05 0.05 16 6 0.03 0.01 0.01 0.00 0.00 0.00 0.06 0.05 0.05 17 6 0.04 0.00 0.01 0.00 0.00 0.00 0.09 0.00 0.06 18 1 0.00 0.03 0.05 0.00 0.00 0.01 0.31 0.31 0.18 19 1 -0.05 0.00 -0.01 0.00 0.02 0.00 -0.03 0.00 0.03 20 1 0.00 -0.03 0.05 0.00 0.00 -0.01 0.31 -0.31 0.18 21 8 -0.03 0.00 -0.02 0.00 0.00 0.00 -0.10 -0.02 -0.08 22 8 -0.03 0.00 -0.02 0.00 0.00 0.00 -0.10 0.02 -0.08 23 1 0.04 0.00 0.06 0.00 -0.02 0.00 0.09 0.00 0.09 37 38 39 A A A Frequencies -- 1208.1309 1236.3023 1298.8929 Red. masses -- 1.0528 1.1805 1.0918 Frc consts -- 0.9054 1.0631 1.0852 IR Inten -- 0.0166 22.2902 3.1958 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 0.00 0.00 -0.01 2 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 3 6 0.00 0.00 0.00 0.04 0.01 -0.02 0.02 0.00 -0.01 4 6 0.00 0.00 0.00 -0.04 0.00 0.00 0.05 0.01 -0.02 5 6 0.00 0.00 0.00 -0.04 0.00 0.00 -0.05 0.01 0.02 6 6 0.00 0.00 0.00 0.04 -0.01 -0.02 -0.02 0.00 0.01 7 1 0.00 0.01 0.00 0.05 -0.14 0.05 0.02 -0.02 0.00 8 1 0.00 0.01 0.00 0.05 0.14 0.05 -0.02 -0.02 0.00 9 1 -0.01 0.00 -0.01 -0.10 0.02 -0.03 0.01 0.01 0.04 10 1 0.00 0.01 0.00 -0.06 0.22 -0.21 -0.07 0.40 -0.14 11 1 0.00 0.01 0.00 -0.06 -0.22 -0.21 0.07 0.40 0.14 12 1 0.01 0.00 0.01 -0.10 -0.02 -0.03 -0.01 0.01 -0.04 13 1 0.00 -0.01 0.00 0.10 0.41 0.33 -0.04 -0.51 -0.21 14 1 0.00 -0.01 0.00 0.10 -0.41 0.33 0.04 -0.51 0.21 15 6 0.00 0.00 -0.01 -0.01 0.01 -0.03 0.01 -0.01 0.01 16 6 0.00 0.00 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 17 6 0.00 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 18 1 0.02 0.03 0.02 -0.21 -0.15 -0.07 0.03 0.05 0.02 19 1 0.00 0.70 0.00 -0.02 0.00 -0.02 0.00 -0.03 0.00 20 1 -0.02 0.03 -0.02 -0.21 0.15 -0.07 -0.03 0.05 -0.02 21 8 0.02 -0.01 -0.02 0.03 0.01 0.03 0.00 0.00 0.00 22 8 -0.02 -0.01 0.02 0.03 -0.01 0.03 0.00 0.00 0.00 23 1 0.00 -0.71 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 40 41 42 A A A Frequencies -- 1307.2813 1318.7110 1371.3536 Red. masses -- 1.2656 1.9468 1.3133 Frc consts -- 1.2743 1.9947 1.4551 IR Inten -- 0.0002 6.0253 0.8593 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.05 0.05 -0.05 0.02 -0.04 0.02 2 6 0.00 0.00 0.00 -0.05 -0.05 -0.05 -0.02 -0.04 -0.02 3 6 0.00 0.00 0.00 0.05 -0.02 0.10 -0.02 -0.01 -0.03 4 6 0.00 0.00 0.01 -0.01 0.12 -0.08 -0.02 0.08 -0.06 5 6 0.00 0.00 -0.01 -0.01 -0.12 -0.08 0.02 0.08 0.06 6 6 0.00 0.00 0.00 0.05 0.02 0.10 0.02 -0.01 0.03 7 1 -0.01 0.01 0.00 -0.09 0.14 -0.09 -0.11 0.24 -0.09 8 1 0.01 0.01 0.00 -0.09 -0.14 -0.09 0.11 0.24 0.09 9 1 0.00 0.00 0.00 -0.02 -0.02 0.02 0.17 -0.01 0.28 10 1 0.01 -0.04 0.01 0.09 -0.42 0.34 0.06 -0.36 0.27 11 1 -0.01 -0.04 -0.01 0.09 0.42 0.34 -0.06 -0.36 -0.27 12 1 0.00 0.00 0.00 -0.02 0.02 0.02 -0.17 -0.01 -0.28 13 1 0.01 0.05 0.03 0.07 0.23 0.17 -0.08 -0.24 -0.18 14 1 -0.01 0.05 -0.03 0.07 -0.23 0.17 0.08 -0.24 0.18 15 6 0.06 -0.06 0.05 0.02 -0.03 -0.01 0.00 0.00 0.00 16 6 -0.06 -0.06 -0.05 0.02 0.03 -0.01 0.00 0.00 0.00 17 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.38 0.46 0.23 -0.16 -0.08 -0.04 0.00 0.00 0.00 19 1 0.00 -0.28 0.00 0.01 0.00 0.00 0.00 -0.02 0.00 20 1 -0.38 0.46 -0.23 -0.16 0.08 -0.04 0.00 0.00 0.00 21 8 0.01 0.03 0.03 0.00 0.01 0.00 0.00 0.00 0.00 22 8 -0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 23 1 0.00 -0.25 0.00 0.01 0.00 0.03 0.00 -0.03 0.00 43 44 45 A A A Frequencies -- 1403.4396 1453.8209 1464.5444 Red. masses -- 1.5891 2.5664 1.3329 Frc consts -- 1.8442 3.1959 1.6844 IR Inten -- 2.7742 81.0568 4.2214 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.06 0.00 0.03 -0.06 0.03 0.00 0.00 0.00 2 6 0.01 0.06 0.00 0.03 0.06 0.03 0.00 0.00 0.00 3 6 0.04 -0.04 0.09 -0.02 -0.05 -0.08 0.00 0.00 0.00 4 6 -0.03 0.05 -0.09 -0.01 0.07 0.00 0.00 0.01 0.00 5 6 0.03 0.05 0.09 -0.01 -0.07 0.00 0.00 0.01 0.00 6 6 -0.04 -0.04 -0.09 -0.02 0.05 -0.08 0.00 0.00 0.00 7 1 0.20 -0.39 0.16 -0.05 0.07 0.00 0.00 -0.01 0.01 8 1 -0.20 -0.39 -0.16 -0.05 -0.07 0.00 0.00 -0.01 -0.01 9 1 -0.21 -0.05 -0.30 0.04 -0.03 0.27 -0.01 0.00 0.00 10 1 0.01 -0.24 0.16 0.07 -0.20 0.11 0.02 -0.05 0.00 11 1 -0.01 -0.24 -0.16 0.07 0.20 0.11 -0.02 -0.05 0.00 12 1 0.21 -0.05 0.30 0.04 0.03 0.27 0.01 0.00 0.00 13 1 -0.07 -0.16 -0.11 0.02 0.24 0.17 0.02 -0.02 0.01 14 1 0.07 -0.16 0.11 0.02 -0.24 0.17 -0.02 -0.02 -0.01 15 6 0.00 0.00 0.00 -0.07 0.21 -0.01 0.04 -0.03 0.03 16 6 0.00 0.00 0.00 -0.07 -0.21 -0.01 -0.04 -0.03 -0.03 17 6 0.00 0.01 0.00 -0.02 0.00 -0.02 0.00 -0.12 0.00 18 1 0.01 0.00 -0.01 0.39 0.15 0.17 0.10 0.14 0.05 19 1 0.00 -0.04 0.00 0.02 0.00 -0.01 0.00 0.70 0.00 20 1 -0.01 0.00 0.01 0.39 -0.15 0.17 -0.10 0.14 -0.05 21 8 0.00 0.00 0.00 0.02 -0.03 0.00 -0.04 0.02 -0.03 22 8 0.00 0.00 0.00 0.02 0.03 0.00 0.04 0.02 0.03 23 1 0.00 -0.04 0.00 -0.02 0.00 0.01 0.00 0.64 0.00 46 47 48 A A A Frequencies -- 1482.8120 1521.1435 1540.2786 Red. masses -- 1.9113 1.1015 1.2955 Frc consts -- 2.4761 1.5017 1.8109 IR Inten -- 17.0211 1.3329 6.2093 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 -0.11 -0.03 0.02 -0.01 0.02 0.02 -0.06 0.02 2 6 -0.02 0.11 -0.03 -0.02 -0.01 -0.02 0.02 0.06 0.02 3 6 0.09 0.00 0.12 0.01 0.01 0.01 -0.02 -0.02 -0.02 4 6 -0.01 -0.03 -0.01 -0.01 -0.04 -0.04 0.01 0.04 0.05 5 6 -0.01 0.03 -0.01 0.01 -0.04 0.04 0.01 -0.04 0.05 6 6 0.09 0.00 0.12 -0.01 0.01 -0.01 -0.02 0.02 -0.02 7 1 -0.20 0.23 -0.18 -0.02 0.06 -0.01 -0.03 0.05 -0.02 8 1 -0.20 -0.23 -0.18 0.02 0.06 0.01 -0.03 -0.05 -0.02 9 1 -0.30 0.00 -0.41 -0.02 0.01 -0.02 0.00 -0.02 0.03 10 1 -0.01 0.09 -0.17 -0.23 0.26 0.37 0.23 -0.26 -0.34 11 1 -0.01 -0.09 -0.17 0.23 0.26 -0.37 0.23 0.26 -0.34 12 1 -0.30 0.00 -0.41 0.02 0.01 0.02 0.00 0.02 0.03 13 1 -0.06 -0.05 -0.10 -0.36 0.25 -0.21 -0.35 0.26 -0.18 14 1 -0.06 0.05 -0.10 0.36 0.25 0.21 -0.35 -0.26 -0.18 15 6 -0.01 0.07 0.00 0.00 0.00 0.00 0.01 -0.06 0.01 16 6 -0.01 -0.07 0.00 0.00 0.00 0.00 0.01 0.06 0.01 17 6 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 18 1 0.11 0.04 0.06 0.01 0.01 0.00 -0.06 -0.03 -0.05 19 1 0.01 0.00 0.00 0.00 0.02 0.00 0.09 0.00 0.02 20 1 0.11 -0.04 0.06 -0.01 0.01 0.00 -0.06 0.03 -0.05 21 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 22 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 23 1 0.00 0.00 0.01 0.00 0.03 0.00 0.01 0.00 0.08 49 50 51 A A A Frequencies -- 1559.5857 1583.0414 1601.7205 Red. masses -- 2.9913 1.0960 3.6476 Frc consts -- 4.2868 1.6183 5.5136 IR Inten -- 8.0765 7.1231 1.9657 Atom AN X Y Z X Y Z X Y Z 1 6 -0.07 0.22 -0.05 0.00 0.00 0.00 -0.16 0.12 -0.16 2 6 -0.07 -0.22 -0.05 0.00 0.00 0.00 0.16 0.12 0.16 3 6 0.05 0.08 0.06 0.00 0.00 0.00 -0.14 -0.08 -0.17 4 6 0.01 -0.01 0.03 0.00 -0.01 0.00 0.02 0.00 0.03 5 6 0.01 0.01 0.03 0.00 0.01 0.00 -0.02 0.00 -0.03 6 6 0.05 -0.08 0.06 0.00 0.00 0.00 0.14 -0.08 0.17 7 1 0.15 -0.21 0.10 0.00 0.00 0.00 0.09 -0.45 0.04 8 1 0.15 0.21 0.10 0.00 0.00 0.00 -0.09 -0.45 -0.04 9 1 0.06 0.09 0.02 0.00 0.00 0.00 0.14 -0.10 0.25 10 1 0.14 -0.07 -0.37 -0.03 0.04 0.03 -0.04 0.01 0.23 11 1 0.14 0.07 -0.37 -0.03 -0.04 0.03 0.04 0.01 -0.23 12 1 0.06 -0.09 0.02 0.00 0.00 0.00 -0.14 -0.10 -0.25 13 1 -0.28 0.08 -0.22 0.04 -0.03 0.03 -0.11 0.06 -0.09 14 1 -0.28 -0.08 -0.22 0.04 0.03 0.03 0.11 0.06 0.09 15 6 0.00 0.13 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 16 6 0.00 -0.13 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 17 6 -0.01 0.00 -0.01 -0.06 0.00 -0.06 0.00 0.00 0.00 18 1 0.09 0.06 0.14 0.00 0.00 0.01 0.02 0.00 -0.01 19 1 0.03 0.00 0.00 0.70 0.00 0.12 0.00 0.00 0.00 20 1 0.09 -0.06 0.14 0.00 0.00 0.01 -0.02 0.00 0.01 21 8 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 22 8 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 23 1 0.00 0.00 0.04 0.09 0.00 0.68 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 3017.4119 3020.9176 3036.3346 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6744 5.8095 IR Inten -- 20.5767 106.6006 72.4726 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 -0.03 0.02 0.04 0.00 0.00 0.00 -0.02 0.02 0.04 5 6 0.03 0.02 -0.04 0.00 0.00 0.00 -0.02 -0.02 0.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 10 1 -0.12 -0.04 -0.02 -0.04 -0.01 -0.01 -0.19 -0.07 -0.04 11 1 0.12 -0.04 0.02 -0.04 0.01 -0.01 -0.19 0.07 -0.04 12 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 13 1 -0.46 -0.22 0.47 0.02 0.01 -0.01 0.45 0.21 -0.45 14 1 0.46 -0.22 -0.47 0.02 -0.01 -0.01 0.45 -0.21 -0.45 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 6 0.00 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 19 1 0.00 0.00 0.00 -0.19 0.00 0.82 0.01 0.00 -0.05 20 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 21 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.52 0.00 -0.11 -0.01 0.00 0.00 55 56 57 A A A Frequencies -- 3061.2406 3069.1075 3087.3756 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1577 6.0495 6.1418 IR Inten -- 86.5493 7.6592 35.9154 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 -0.06 -0.02 -0.01 -0.06 -0.02 0.00 5 6 0.00 0.00 0.00 0.06 -0.02 0.01 -0.06 0.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 10 1 -0.06 -0.02 -0.02 0.62 0.25 0.18 0.60 0.24 0.18 11 1 -0.06 0.02 -0.02 -0.62 0.25 -0.18 0.60 -0.24 0.18 12 1 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 0.03 0.00 13 1 0.00 0.00 0.00 -0.07 -0.04 0.08 0.12 0.07 -0.14 14 1 0.00 0.00 0.00 0.07 -0.04 -0.08 0.12 -0.07 -0.14 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 6 0.08 0.00 -0.06 0.00 0.00 0.00 0.01 0.00 -0.01 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 1 -0.09 0.00 0.50 0.00 0.00 0.00 -0.02 0.00 0.09 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 -0.84 0.00 0.15 0.00 0.00 0.00 -0.05 0.00 0.01 58 59 60 A A A Frequencies -- 3153.4880 3159.2504 3171.8827 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3508 6.3937 6.4743 IR Inten -- 4.9162 5.7988 49.5618 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.02 0.03 -0.01 -0.01 -0.02 -0.02 -0.02 -0.03 2 6 -0.02 0.02 -0.03 -0.01 0.01 -0.02 0.02 -0.02 0.03 3 6 -0.01 -0.04 0.00 -0.01 -0.05 0.00 -0.01 -0.04 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.01 -0.04 0.00 -0.01 0.05 0.00 0.01 -0.04 0.00 7 1 -0.25 -0.25 -0.35 0.15 0.15 0.21 0.25 0.25 0.36 8 1 0.25 -0.25 0.35 0.15 -0.15 0.21 -0.25 0.25 -0.36 9 1 0.05 0.50 -0.04 0.07 0.63 -0.06 0.05 0.49 -0.04 10 1 0.02 0.01 0.01 0.03 0.01 0.01 0.01 0.00 0.01 11 1 -0.02 0.01 -0.01 0.03 -0.01 0.01 -0.01 0.00 -0.01 12 1 -0.05 0.50 0.04 0.07 -0.63 -0.06 -0.05 0.49 0.04 13 1 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 14 1 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 3185.8058 3290.9154 3307.6538 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9545 7.0986 IR Inten -- 30.7673 0.0857 1.5876 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 2 6 -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.32 0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.32 -0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 9 1 -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 10 1 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 11 1 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 12 1 -0.03 0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 14 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.02 0.04 0.05 0.02 0.04 0.05 16 6 0.00 0.00 0.00 -0.02 0.04 -0.05 0.02 -0.04 0.05 17 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.18 -0.43 0.53 -0.18 0.43 -0.53 19 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 20 1 0.00 0.00 0.00 -0.18 -0.43 -0.53 -0.18 -0.43 -0.53 21 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 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 1 and mass 1.00783 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 1 and mass 1.00783 Atom 12 has atomic number 1 and mass 1.00783 Atom 13 has atomic number 1 and mass 1.00783 Atom 14 has atomic number 1 and mass 1.00783 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 6 and mass 12.00000 Atom 17 has atomic number 6 and mass 12.00000 Atom 18 has atomic number 1 and mass 1.00783 Atom 19 has atomic number 1 and mass 1.00783 Atom 20 has atomic number 1 and mass 1.00783 Atom 21 has atomic number 8 and mass 15.99491 Atom 22 has atomic number 8 and mass 15.99491 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 944.871231782.046931902.36778 X 0.99987 0.00000 0.01598 Y 0.00000 1.00000 -0.00008 Z -0.01598 0.00008 0.99987 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.09167 0.04860 0.04553 Rotational constants (GHZ): 1.91004 1.01273 0.94868 1 imaginary frequencies ignored. Zero-point vibrational energy 509189.2 (Joules/Mol) 121.69914 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.76 177.47 194.45 248.97 287.86 (Kelvin) 351.43 400.51 531.86 730.64 776.18 853.07 856.99 1017.79 1072.97 1126.42 1168.27 1201.27 1208.82 1231.08 1260.11 1330.58 1364.92 1383.92 1384.82 1448.95 1456.17 1470.76 1515.94 1541.13 1575.89 1599.13 1666.38 1704.29 1704.64 1735.44 1738.23 1778.76 1868.81 1880.88 1897.33 1973.07 2019.23 2091.72 2107.15 2133.43 2188.58 2216.11 2243.89 2277.64 2304.52 4341.38 4346.42 4368.60 4404.44 4415.76 4442.04 4537.16 4545.45 4563.63 4583.66 4734.89 4758.97 Zero-point correction= 0.193940 (Hartree/Particle) Thermal correction to Energy= 0.203260 Thermal correction to Enthalpy= 0.204204 Thermal correction to Gibbs Free Energy= 0.159505 Sum of electronic and zero-point Energies= -500.294729 Sum of electronic and thermal Energies= -500.285409 Sum of electronic and thermal Enthalpies= -500.284465 Sum of electronic and thermal Free Energies= -500.329164 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.548 36.599 94.077 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 40.968 Rotational 0.889 2.981 29.550 Vibrational 125.770 30.638 23.559 Vibration 1 0.604 1.950 3.483 Vibration 2 0.610 1.930 3.047 Vibration 3 0.613 1.918 2.871 Vibration 4 0.627 1.876 2.402 Vibration 5 0.638 1.840 2.132 Vibration 6 0.660 1.772 1.772 Vibration 7 0.679 1.714 1.544 Vibration 8 0.742 1.535 1.081 Vibration 9 0.863 1.233 0.639 Vibration 10 0.895 1.163 0.566 Vibration 11 0.950 1.047 0.462 Vibration 12 0.953 1.041 0.457 Q Log10(Q) Ln(Q) Total Bot 0.429347D-73 -73.367192 -168.934202 Total V=0 0.689904D+16 15.838789 36.470159 Vib (Bot) 0.909053D-87 -87.041411 -200.420255 Vib (Bot) 1 0.208357D+01 0.318807 0.734081 Vib (Bot) 2 0.165548D+01 0.218923 0.504090 Vib (Bot) 3 0.150644D+01 0.177953 0.409751 Vib (Bot) 4 0.116346D+01 0.065750 0.151396 Vib (Bot) 5 0.996584D+00 -0.001486 -0.003422 Vib (Bot) 6 0.801201D+00 -0.096259 -0.221644 Vib (Bot) 7 0.691257D+00 -0.160361 -0.369244 Vib (Bot) 8 0.492621D+00 -0.307487 -0.708016 Vib (Bot) 9 0.321388D+00 -0.492970 -1.135105 Vib (Bot) 10 0.293830D+00 -0.531903 -1.224752 Vib (Bot) 11 0.253674D+00 -0.595724 -1.371705 Vib (Bot) 12 0.251811D+00 -0.598925 -1.379076 Vib (V=0) 0.146073D+03 2.164570 4.984106 Vib (V=0) 1 0.264272D+01 0.422051 0.971808 Vib (V=0) 2 0.222934D+01 0.348176 0.801704 Vib (V=0) 3 0.208725D+01 0.319575 0.735848 Vib (V=0) 4 0.176635D+01 0.247076 0.568913 Vib (V=0) 5 0.161498D+01 0.208167 0.479322 Vib (V=0) 6 0.144442D+01 0.159692 0.367705 Vib (V=0) 7 0.135313D+01 0.131340 0.302423 Vib (V=0) 8 0.120191D+01 0.079871 0.183910 Vib (V=0) 9 0.109438D+01 0.039169 0.090190 Vib (V=0) 10 0.107995D+01 0.033402 0.076910 Vib (V=0) 11 0.106067D+01 0.025580 0.058901 Vib (V=0) 12 0.105983D+01 0.025236 0.058108 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.640678D+06 5.806640 13.370282 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000033 0.000000005 0.000000381 2 6 0.000000214 0.000000114 0.000000285 3 6 -0.000000020 0.000000000 0.000000150 4 6 -0.000000170 0.000000012 0.000000173 5 6 -0.000000176 0.000000060 0.000000061 6 6 0.000000061 -0.000000029 0.000000137 7 1 0.000000269 -0.000000019 0.000000429 8 1 0.000000270 -0.000000020 0.000000409 9 1 0.000000012 -0.000000056 0.000000144 10 1 -0.000000310 -0.000000060 -0.000000056 11 1 -0.000000286 0.000000013 -0.000000041 12 1 0.000000029 -0.000000041 0.000000166 13 1 -0.000000356 -0.000000015 0.000000224 14 1 -0.000000349 -0.000000028 0.000000223 15 6 0.000000113 0.000000088 -0.000000151 16 6 0.000000252 0.000000084 -0.000000183 17 6 -0.000000089 0.000000097 -0.000000458 18 1 0.000000321 -0.000000032 -0.000000152 19 1 -0.000000225 -0.000000025 -0.000000416 20 1 0.000000313 -0.000000036 -0.000000074 21 8 0.000000137 -0.000000045 -0.000000356 22 8 -0.000000030 -0.000000060 -0.000000276 23 1 -0.000000013 -0.000000010 -0.000000618 ------------------------------------------------------------------- Cartesian Forces: Max 0.000000618 RMS 0.000000207 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000000086 RMS 0.000000018 Search for a saddle point. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03189 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01688 0.01857 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04650 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06812 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12445 0.12617 0.15481 0.16306 Eigenvalues --- 0.18369 0.18745 0.23372 0.24269 0.26917 Eigenvalues --- 0.27588 0.29672 0.30155 0.30785 0.32287 Eigenvalues --- 0.32447 0.32888 0.34622 0.35303 0.35333 Eigenvalues --- 0.35475 0.35566 0.36576 0.38194 0.38371 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R8 R16 D77 D79 D86 1 -0.56538 -0.56538 0.16959 -0.16959 0.14496 D83 D73 D75 R19 D11 1 -0.14496 -0.11839 0.11839 0.11436 -0.11054 Angle between quadratic step and forces= 80.11 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00000073 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R2 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R3 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R4 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R7 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R8 4.37589 0.00000 0.00000 0.00000 0.00000 4.37589 R9 2.94454 0.00000 0.00000 0.00000 0.00000 2.94454 R10 2.07028 0.00000 0.00000 0.00000 0.00000 2.07029 R11 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R12 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R13 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R14 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R15 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R16 4.37590 0.00000 0.00000 0.00000 0.00000 4.37590 R17 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R18 4.44116 0.00000 0.00000 0.00000 0.00000 4.44116 R19 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R20 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R21 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R22 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R23 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R24 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R25 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R26 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R27 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 A1 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A2 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A3 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A4 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A5 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A6 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A7 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A8 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A9 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A10 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A11 1.63579 0.00000 0.00000 0.00000 0.00000 1.63579 A12 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A13 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A14 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A15 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A16 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A17 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A18 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A19 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A20 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A21 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A22 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A23 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A24 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A25 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A26 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A27 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A28 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A29 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A30 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A31 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A32 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A33 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A34 1.54413 0.00000 0.00000 0.00000 0.00000 1.54413 A35 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A36 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A37 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A38 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A39 1.86430 0.00000 0.00000 0.00000 0.00000 1.86430 A40 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A41 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A42 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A43 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A44 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A45 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A46 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A47 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A48 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A49 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A50 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A51 1.05553 0.00000 0.00000 0.00000 0.00000 1.05553 A52 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A53 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A54 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A55 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 2.90002 0.00000 0.00000 0.00000 0.00000 2.90002 D3 -2.90002 0.00000 0.00000 0.00000 0.00000 -2.90002 D4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D5 0.60092 0.00000 0.00000 0.00000 0.00000 0.60092 D6 -2.99630 0.00000 0.00000 0.00000 0.00000 -2.99630 D7 -1.13883 0.00000 0.00000 0.00000 0.00000 -1.13883 D8 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D9 -0.09753 0.00000 0.00000 0.00000 0.00000 -0.09753 D10 1.75993 0.00000 0.00000 0.00000 0.00000 1.75993 D11 -0.60093 0.00000 0.00000 0.00000 0.00000 -0.60093 D12 2.99630 0.00000 0.00000 0.00000 0.00000 2.99630 D13 1.13883 0.00000 0.00000 0.00000 0.00000 1.13883 D14 2.78350 0.00000 0.00000 0.00000 0.00000 2.78350 D15 0.09754 0.00000 0.00000 0.00000 0.00000 0.09754 D16 -1.75993 0.00000 0.00000 0.00000 0.00000 -1.75993 D17 0.56921 0.00000 0.00000 0.00000 0.00000 0.56921 D18 2.75004 0.00000 0.00000 0.00000 0.00000 2.75004 D19 -1.53597 0.00000 0.00000 0.00000 0.00000 -1.53597 D20 -3.01200 0.00000 0.00000 0.00000 0.00000 -3.01200 D21 -0.83118 0.00000 0.00000 0.00000 0.00000 -0.83118 D22 1.16600 0.00000 0.00000 0.00000 0.00000 1.16600 D23 -1.22219 0.00000 0.00000 0.00000 0.00000 -1.22219 D24 0.95864 0.00000 0.00000 0.00000 0.00000 0.95864 D25 2.95582 0.00000 0.00000 0.00000 0.00000 2.95582 D26 -0.98652 0.00000 0.00000 0.00000 0.00000 -0.98652 D27 1.25621 0.00000 0.00000 0.00000 0.00000 1.25621 D28 -3.02080 0.00000 0.00000 0.00000 0.00000 -3.02080 D29 1.13274 0.00000 0.00000 0.00000 0.00000 1.13274 D30 -2.90771 0.00000 0.00000 0.00000 0.00000 -2.90771 D31 -0.90154 0.00000 0.00000 0.00000 0.00000 -0.90154 D32 -3.11376 0.00000 0.00000 0.00000 0.00000 -3.11376 D33 -0.87103 0.00000 0.00000 0.00000 0.00000 -0.87103 D34 1.13514 0.00000 0.00000 0.00000 0.00000 1.13514 D35 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D36 2.15999 0.00000 0.00000 0.00000 0.00000 2.15999 D37 -2.08919 0.00000 0.00000 0.00000 0.00000 -2.08919 D38 -2.15999 0.00000 0.00000 0.00000 0.00000 -2.15999 D39 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D40 2.03401 0.00000 0.00000 0.00000 0.00000 2.03401 D41 2.08918 0.00000 0.00000 0.00000 0.00000 2.08918 D42 -2.03402 0.00000 0.00000 0.00000 0.00000 -2.03401 D43 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D44 -1.77124 0.00000 0.00000 0.00000 0.00000 -1.77124 D45 0.42032 0.00000 0.00000 0.00000 0.00000 0.42032 D46 2.49224 0.00000 0.00000 0.00000 0.00000 2.49224 D47 -0.56921 0.00000 0.00000 0.00000 0.00000 -0.56921 D48 3.01200 0.00000 0.00000 0.00000 0.00000 3.01200 D49 1.22219 0.00000 0.00000 0.00000 0.00000 1.22219 D50 -2.75003 0.00000 0.00000 0.00000 0.00000 -2.75003 D51 0.83118 0.00000 0.00000 0.00000 0.00000 0.83118 D52 -0.95864 0.00000 0.00000 0.00000 0.00000 -0.95864 D53 1.53598 0.00000 0.00000 0.00000 0.00000 1.53598 D54 -1.16600 0.00000 0.00000 0.00000 0.00000 -1.16600 D55 -2.95582 0.00000 0.00000 0.00000 0.00000 -2.95581 D56 -0.42031 0.00000 0.00000 0.00000 0.00000 -0.42031 D57 1.77124 0.00000 0.00000 0.00000 0.00000 1.77124 D58 -2.49223 0.00000 0.00000 0.00000 0.00000 -2.49223 D59 0.98652 0.00000 0.00000 0.00000 0.00000 0.98652 D60 -1.25622 0.00000 0.00000 0.00000 0.00000 -1.25621 D61 3.02080 0.00000 0.00000 0.00000 0.00000 3.02080 D62 -1.13274 0.00000 0.00000 0.00000 0.00000 -1.13274 D63 2.90771 0.00000 0.00000 0.00000 0.00000 2.90771 D64 0.90154 0.00000 0.00000 0.00000 0.00000 0.90154 D65 3.11376 0.00000 0.00000 0.00000 0.00000 3.11376 D66 0.87102 0.00000 0.00000 0.00000 0.00000 0.87103 D67 -1.13514 0.00000 0.00000 0.00000 0.00000 -1.13514 D68 -0.45443 0.00000 0.00000 0.00000 0.00000 -0.45443 D69 1.26777 0.00000 0.00000 0.00000 0.00000 1.26777 D70 0.45443 0.00000 0.00000 0.00000 0.00000 0.45443 D71 -1.26777 0.00000 0.00000 0.00000 0.00000 -1.26777 D72 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D73 -1.76578 0.00000 0.00000 0.00000 0.00000 -1.76579 D74 2.00976 0.00000 0.00000 0.00000 0.00000 2.00976 D75 1.76578 0.00000 0.00000 0.00000 0.00000 1.76578 D76 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D77 -2.50765 0.00000 0.00000 0.00000 0.00000 -2.50765 D78 -2.00976 0.00000 0.00000 0.00000 0.00000 -2.00976 D79 2.50764 0.00000 0.00000 0.00000 0.00000 2.50764 D80 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D81 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D82 0.09893 0.00000 0.00000 0.00000 0.00000 0.09892 D83 2.69580 0.00000 0.00000 0.00000 0.00000 2.69580 D84 1.91001 0.00000 0.00000 0.00000 0.00000 1.91001 D85 -0.09893 0.00000 0.00000 0.00000 0.00000 -0.09892 D86 -2.69580 0.00000 0.00000 0.00000 0.00000 -2.69579 D87 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D88 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D89 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D90 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D91 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D92 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D93 1.92720 0.00000 0.00000 0.00000 0.00000 1.92720 D94 -0.15839 0.00000 0.00000 0.00000 0.00000 -0.15839 D95 -2.24092 0.00000 0.00000 0.00000 0.00000 -2.24091 D96 -1.92720 0.00000 0.00000 0.00000 0.00000 -1.92720 D97 0.15839 0.00000 0.00000 0.00000 0.00000 0.15839 D98 2.24092 0.00000 0.00000 0.00000 0.00000 2.24091 Item Value Threshold Converged? Maximum Force 0.000000 0.000450 YES RMS Force 0.000000 0.000300 YES Maximum Displacement 0.000004 0.001800 YES RMS Displacement 0.000001 0.001200 YES Predicted change in Energy=-2.297040D-13 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4078 -DE/DX = 0.0 ! ! R2 R(1,6) 1.3866 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0883 -DE/DX = 0.0 ! ! R4 R(2,3) 1.3866 -DE/DX = 0.0 ! ! R5 R(2,8) 1.0883 -DE/DX = 0.0 ! ! R6 R(3,4) 1.5151 -DE/DX = 0.0 ! ! R7 R(3,9) 1.0891 -DE/DX = 0.0 ! ! R8 R(3,16) 2.3156 -DE/DX = 0.0 ! ! R9 R(4,5) 1.5582 -DE/DX = 0.0 ! ! R10 R(4,10) 1.0955 -DE/DX = 0.0 ! ! R11 R(4,14) 1.0989 -DE/DX = 0.0 ! ! R12 R(5,6) 1.5151 -DE/DX = 0.0 ! ! R13 R(5,11) 1.0955 -DE/DX = 0.0 ! ! R14 R(5,13) 1.0989 -DE/DX = 0.0 ! ! R15 R(6,12) 1.0891 -DE/DX = 0.0 ! ! R16 R(6,15) 2.3156 -DE/DX = 0.0 ! ! R17 R(10,19) 2.3502 -DE/DX = 0.0 ! ! R18 R(11,19) 2.3502 -DE/DX = 0.0 ! ! R19 R(15,16) 1.3892 -DE/DX = 0.0 ! ! R20 R(15,20) 1.0773 -DE/DX = 0.0 ! ! R21 R(15,21) 1.3929 -DE/DX = 0.0 ! ! R22 R(16,18) 1.0773 -DE/DX = 0.0 ! ! R23 R(16,22) 1.3929 -DE/DX = 0.0 ! ! R24 R(17,19) 1.0987 -DE/DX = 0.0 ! ! R25 R(17,21) 1.4244 -DE/DX = 0.0 ! ! R26 R(17,22) 1.4244 -DE/DX = 0.0 ! ! R27 R(17,23) 1.098 -DE/DX = 0.0 ! ! A1 A(2,1,6) 118.4539 -DE/DX = 0.0 ! ! A2 A(2,1,7) 119.7788 -DE/DX = 0.0 ! ! A3 A(6,1,7) 120.2857 -DE/DX = 0.0 ! ! A4 A(1,2,3) 118.4539 -DE/DX = 0.0 ! ! A5 A(1,2,8) 119.7788 -DE/DX = 0.0 ! ! A6 A(3,2,8) 120.2858 -DE/DX = 0.0 ! ! A7 A(2,3,4) 120.251 -DE/DX = 0.0 ! ! A8 A(2,3,9) 119.2218 -DE/DX = 0.0 ! ! A9 A(2,3,16) 98.9691 -DE/DX = 0.0 ! ! A10 A(4,3,9) 115.5334 -DE/DX = 0.0 ! ! A11 A(4,3,16) 93.7236 -DE/DX = 0.0 ! ! A12 A(9,3,16) 99.6509 -DE/DX = 0.0 ! ! A13 A(3,4,5) 112.7304 -DE/DX = 0.0 ! ! A14 A(3,4,10) 109.492 -DE/DX = 0.0 ! ! A15 A(3,4,14) 107.6855 -DE/DX = 0.0 ! ! A16 A(5,4,10) 111.6653 -DE/DX = 0.0 ! ! A17 A(5,4,14) 109.2791 -DE/DX = 0.0 ! ! A18 A(10,4,14) 105.6691 -DE/DX = 0.0 ! ! A19 A(4,5,6) 112.7304 -DE/DX = 0.0 ! ! A20 A(4,5,11) 111.6653 -DE/DX = 0.0 ! ! A21 A(4,5,13) 109.2791 -DE/DX = 0.0 ! ! A22 A(6,5,11) 109.492 -DE/DX = 0.0 ! ! A23 A(6,5,13) 107.6856 -DE/DX = 0.0 ! ! A24 A(11,5,13) 105.669 -DE/DX = 0.0 ! ! A25 A(1,6,5) 120.251 -DE/DX = 0.0 ! ! A26 A(1,6,12) 119.2218 -DE/DX = 0.0 ! ! A27 A(1,6,15) 98.969 -DE/DX = 0.0 ! ! A28 A(5,6,12) 115.5335 -DE/DX = 0.0 ! ! A29 A(5,6,15) 93.7234 -DE/DX = 0.0 ! ! A30 A(12,6,15) 99.651 -DE/DX = 0.0 ! ! A31 A(4,10,19) 123.5113 -DE/DX = 0.0 ! ! A32 A(5,11,19) 123.5113 -DE/DX = 0.0 ! ! A33 A(6,15,16) 106.8161 -DE/DX = 0.0 ! ! A34 A(6,15,20) 88.4724 -DE/DX = 0.0 ! ! A35 A(6,15,21) 106.8895 -DE/DX = 0.0 ! ! A36 A(16,15,20) 127.1126 -DE/DX = 0.0 ! ! A37 A(16,15,21) 108.9925 -DE/DX = 0.0 ! ! A38 A(20,15,21) 114.2776 -DE/DX = 0.0 ! ! A39 A(3,16,15) 106.8163 -DE/DX = 0.0 ! ! A40 A(3,16,18) 88.4725 -DE/DX = 0.0 ! ! A41 A(3,16,22) 106.8894 -DE/DX = 0.0 ! ! A42 A(15,16,18) 127.1125 -DE/DX = 0.0 ! ! A43 A(15,16,22) 108.9925 -DE/DX = 0.0 ! ! A44 A(18,16,22) 114.2776 -DE/DX = 0.0 ! ! A45 A(19,17,21) 109.8868 -DE/DX = 0.0 ! ! A46 A(19,17,22) 109.8868 -DE/DX = 0.0 ! ! A47 A(19,17,23) 110.0605 -DE/DX = 0.0 ! ! A48 A(21,17,22) 107.3905 -DE/DX = 0.0 ! ! A49 A(21,17,23) 109.7874 -DE/DX = 0.0 ! ! A50 A(22,17,23) 109.7874 -DE/DX = 0.0 ! ! A51 A(10,19,11) 60.4775 -DE/DX = 0.0 ! ! A52 A(10,19,17) 104.5066 -DE/DX = 0.0 ! ! A53 A(11,19,17) 104.5065 -DE/DX = 0.0 ! ! A54 A(15,21,17) 106.8819 -DE/DX = 0.0 ! ! A55 A(16,22,17) 106.8819 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) 0.0001 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) 166.1591 -DE/DX = 0.0 ! ! D3 D(7,1,2,3) -166.1591 -DE/DX = 0.0 ! ! D4 D(7,1,2,8) 0.0 -DE/DX = 0.0 ! ! D5 D(2,1,6,5) 34.4304 -DE/DX = 0.0 ! ! D6 D(2,1,6,12) -171.6751 -DE/DX = 0.0 ! ! D7 D(2,1,6,15) -65.2502 -DE/DX = 0.0 ! ! D8 D(7,1,6,5) -159.4828 -DE/DX = 0.0 ! ! D9 D(7,1,6,12) -5.5883 -DE/DX = 0.0 ! ! D10 D(7,1,6,15) 100.8365 -DE/DX = 0.0 ! ! D11 D(1,2,3,4) -34.4306 -DE/DX = 0.0 ! ! D12 D(1,2,3,9) 171.6752 -DE/DX = 0.0 ! ! D13 D(1,2,3,16) 65.2503 -DE/DX = 0.0 ! ! D14 D(8,2,3,4) 159.4827 -DE/DX = 0.0 ! ! D15 D(8,2,3,9) 5.5885 -DE/DX = 0.0 ! ! D16 D(8,2,3,16) -100.8364 -DE/DX = 0.0 ! ! D17 D(2,3,4,5) 32.6134 -DE/DX = 0.0 ! ! D18 D(2,3,4,10) 157.5655 -DE/DX = 0.0 ! ! D19 D(2,3,4,14) -88.0047 -DE/DX = 0.0 ! ! D20 D(9,3,4,5) -172.575 -DE/DX = 0.0 ! ! D21 D(9,3,4,10) -47.6229 -DE/DX = 0.0 ! ! D22 D(9,3,4,14) 66.8069 -DE/DX = 0.0 ! ! D23 D(16,3,4,5) -70.0261 -DE/DX = 0.0 ! ! D24 D(16,3,4,10) 54.926 -DE/DX = 0.0 ! ! D25 D(16,3,4,14) 169.3558 -DE/DX = 0.0 ! ! D26 D(2,3,16,15) -56.5233 -DE/DX = 0.0 ! ! D27 D(2,3,16,18) 71.9758 -DE/DX = 0.0 ! ! D28 D(2,3,16,22) -173.0793 -DE/DX = 0.0 ! ! D29 D(4,3,16,15) 64.9013 -DE/DX = 0.0 ! ! D30 D(4,3,16,18) -166.5997 -DE/DX = 0.0 ! ! D31 D(4,3,16,22) -51.6547 -DE/DX = 0.0 ! ! D32 D(9,3,16,15) -178.4052 -DE/DX = 0.0 ! ! D33 D(9,3,16,18) -49.9061 -DE/DX = 0.0 ! ! D34 D(9,3,16,22) 65.0388 -DE/DX = 0.0 ! ! D35 D(3,4,5,6) -0.0002 -DE/DX = 0.0 ! ! D36 D(3,4,5,11) 123.7582 -DE/DX = 0.0 ! ! D37 D(3,4,5,13) -119.7015 -DE/DX = 0.0 ! ! D38 D(10,4,5,6) -123.7586 -DE/DX = 0.0 ! ! D39 D(10,4,5,11) -0.0002 -DE/DX = 0.0 ! ! D40 D(10,4,5,13) 116.5401 -DE/DX = 0.0 ! ! D41 D(14,4,5,6) 119.7011 -DE/DX = 0.0 ! ! D42 D(14,4,5,11) -116.5405 -DE/DX = 0.0 ! ! D43 D(14,4,5,13) -0.0002 -DE/DX = 0.0 ! ! D44 D(3,4,10,19) -101.4844 -DE/DX = 0.0 ! ! D45 D(5,4,10,19) 24.0825 -DE/DX = 0.0 ! ! D46 D(14,4,10,19) 142.7946 -DE/DX = 0.0 ! ! D47 D(4,5,6,1) -32.6131 -DE/DX = 0.0 ! ! D48 D(4,5,6,12) 172.5751 -DE/DX = 0.0 ! ! D49 D(4,5,6,15) 70.0262 -DE/DX = 0.0 ! ! D50 D(11,5,6,1) -157.5652 -DE/DX = 0.0 ! ! D51 D(11,5,6,12) 47.6229 -DE/DX = 0.0 ! ! D52 D(11,5,6,15) -54.926 -DE/DX = 0.0 ! ! D53 D(13,5,6,1) 88.005 -DE/DX = 0.0 ! ! D54 D(13,5,6,12) -66.8069 -DE/DX = 0.0 ! ! D55 D(13,5,6,15) -169.3557 -DE/DX = 0.0 ! ! D56 D(4,5,11,19) -24.0821 -DE/DX = 0.0 ! ! D57 D(6,5,11,19) 101.4848 -DE/DX = 0.0 ! ! D58 D(13,5,11,19) -142.7943 -DE/DX = 0.0 ! ! D59 D(1,6,15,16) 56.5232 -DE/DX = 0.0 ! ! D60 D(1,6,15,20) -71.9759 -DE/DX = 0.0 ! ! D61 D(1,6,15,21) 173.0792 -DE/DX = 0.0 ! ! D62 D(5,6,15,16) -64.9014 -DE/DX = 0.0 ! ! D63 D(5,6,15,20) 166.5996 -DE/DX = 0.0 ! ! D64 D(5,6,15,21) 51.6546 -DE/DX = 0.0 ! ! D65 D(12,6,15,16) 178.4051 -DE/DX = 0.0 ! ! D66 D(12,6,15,20) 49.906 -DE/DX = 0.0 ! ! D67 D(12,6,15,21) -65.0389 -DE/DX = 0.0 ! ! D68 D(4,10,19,11) -26.0369 -DE/DX = 0.0 ! ! D69 D(4,10,19,17) 72.6378 -DE/DX = 0.0 ! ! D70 D(5,11,19,10) 26.0367 -DE/DX = 0.0 ! ! D71 D(5,11,19,17) -72.638 -DE/DX = 0.0 ! ! D72 D(6,15,16,3) 0.0 -DE/DX = 0.0 ! ! D73 D(6,15,16,18) -101.172 -DE/DX = 0.0 ! ! D74 D(6,15,16,22) 115.1506 -DE/DX = 0.0 ! ! D75 D(20,15,16,3) 101.1719 -DE/DX = 0.0 ! ! D76 D(20,15,16,18) -0.0002 -DE/DX = 0.0 ! ! D77 D(20,15,16,22) -143.6775 -DE/DX = 0.0 ! ! D78 D(21,15,16,3) -115.1506 -DE/DX = 0.0 ! ! D79 D(21,15,16,18) 143.6774 -DE/DX = 0.0 ! ! D80 D(21,15,16,22) 0.0 -DE/DX = 0.0 ! ! D81 D(6,15,21,17) -109.4352 -DE/DX = 0.0 ! ! D82 D(16,15,21,17) 5.668 -DE/DX = 0.0 ! ! D83 D(20,15,21,17) 154.4578 -DE/DX = 0.0 ! ! D84 D(3,16,22,17) 109.4353 -DE/DX = 0.0 ! ! D85 D(15,16,22,17) -5.6681 -DE/DX = 0.0 ! ! D86 D(18,16,22,17) -154.4577 -DE/DX = 0.0 ! ! D87 D(21,17,19,10) -90.3245 -DE/DX = 0.0 ! ! D88 D(21,17,19,11) -27.6348 -DE/DX = 0.0 ! ! D89 D(22,17,19,10) 27.6347 -DE/DX = 0.0 ! ! D90 D(22,17,19,11) 90.3245 -DE/DX = 0.0 ! ! D91 D(23,17,19,10) 148.6551 -DE/DX = 0.0 ! ! D92 D(23,17,19,11) -148.6551 -DE/DX = 0.0 ! ! D93 D(19,17,21,15) 110.4205 -DE/DX = 0.0 ! ! D94 D(22,17,21,15) -9.0751 -DE/DX = 0.0 ! ! D95 D(23,17,21,15) -128.395 -DE/DX = 0.0 ! ! D96 D(19,17,22,16) -110.4204 -DE/DX = 0.0 ! ! D97 D(21,17,22,16) 9.0751 -DE/DX = 0.0 ! ! D98 D(23,17,22,16) 128.3951 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-284|Freq|RB3LYP|6-31G(d)|C9H12O2|HJK114|30- Nov-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,2.1096089238,0.7037739605,-0.72 68251388|C,2.1095760155,-0.7039825704,-0.7267071673|C,1.193998973,-1.3 645415412,0.0783024314|C,0.792351983,-0.7789848886,1.4167329314|C,0.79 23867619,0.7791974198,1.4166019738|C,1.1940638286,1.3645111808,0.07807 42519|H,2.6492174766,1.2442032712,-1.5021663866|H,2.6491592201,-1.2445 670584,-1.5019578214|H,1.0885637509,-2.4447138134,-0.0121691|H,-0.1810 387112,-1.1833962853,1.7153739625|H,-0.1809868494,1.1837026018,1.71517 17036|H,1.0886780872,2.4446730419,-0.0125793744|H,1.5076421238,1.14206 51605,2.1677948552|H,1.5075937789,-1.1417581289,2.1679843078|C,-0.7585 267815,0.6945493217,-0.9710555531|C,-0.7585560009,-0.6946720223,-0.970 938223|C,-2.4040764175,0.0000908449,0.4187114139|H,-0.5062742717,-1.34 4752364,-1.7920711762|H,-2.1997607078,0.0001776646,1.4982140031|H,-0.5 062152046,1.3444812989,-1.7922967424|O,-1.8159038262,1.1479509014,-0.1 858451843|O,-1.8159528918,-1.1478960239,-0.1856516613|H,-3.4875052608, 0.0000990282,0.240457694||Version=EM64W-G09RevD.01|State=1-A|HF=-500.4 88669|RMSD=4.468e-009|RMSF=2.070e-007|ZeroPoint=0.1939399|Thermal=0.20 326|Dipole=-0.1144744,-0.0000023,-0.0984588|DipoleDeriv=-0.2425573,-0. 0826637,-0.1428342,0.0496115,-0.0183079,-0.0043533,-0.1005422,-0.23291 13,-0.0367062,-0.2425618,0.0826504,-0.1428484,-0.0496164,-0.0182719,0. 0043569,-0.1005223,0.2329137,-0.0367458,0.1018749,-0.0857468,0.0385954 ,0.0105561,0.1298516,0.0104738,0.0908272,-0.1437829,0.1388257,0.152103 7,0.0673107,-0.0106364,-0.0089998,-0.019568,-0.0216435,0.0327451,-0.02 76446,0.074306,0.152101,-0.06732,-0.010624,0.0089979,-0.0195566,0.0216 602,0.0327463,0.027659,0.0742984,0.1018747,0.0857547,0.0385791,-0.0105 434,0.1298716,-0.0104752,0.0908338,0.1437797,0.1388039,0.0376666,-0.02 78151,0.0752884,-0.0562499,0.0071611,0.0598408,0.137024,0.0872323,-0.0 39091,0.0376709,0.0278259,0.0752808,0.0562711,0.0071326,-0.0598519,0.1 370102,-0.0872464,-0.0390662,0.0532457,0.0266537,0.0115857,-0.0002496, -0.1443212,-0.0197524,-0.0008536,0.0033688,0.0098088,-0.0779781,-0.085 8497,0.106965,-0.0423638,-0.0026697,0.0058573,0.0359638,0.0131755,0.01 6743,-0.0779725,0.0858712,0.1069503,0.0423735,-0.0026787,-0.0058584,0. 0359556,-0.0131736,0.0167463,0.0532438,-0.0266608,0.0115914,0.0002401, -0.1443179,0.0197779,-0.000854,-0.0033426,0.0098059,-0.0332645,-0.0552 731,-0.0960354,-0.025406,0.0283274,-0.0141782,-0.1001821,-0.1028045,-0 .1207535,-0.0332616,0.0552598,-0.0960441,0.0253921,0.0283436,0.0141572 ,-0.1001813,0.1027834,-0.1207718,0.7732166,-0.2543591,-0.1134131,-0.54 51195,0.1428206,0.0064536,-0.5185641,-0.0747884,0.1211795,0.7732444,0. 2543117,-0.1134557,0.5450062,0.1427956,-0.0064525,-0.518651,0.0748079, 0.1211691,1.0762808,-0.0000221,-0.1344403,-0.0000478,0.5784553,0.00001 45,-0.4704207,0.0000212,0.7104987,-0.0513698,-0.0251322,0.0023662,-0.0 128172,0.07213,-0.0311822,-0.0036912,-0.0670449,0.0037577,-0.0119731,- 0.0000058,-0.0722109,0.0000065,0.0023925,-0.0000158,0.0793376,-0.00001 9,-0.202493,-0.0513688,0.0251379,0.0023634,0.0128209,0.0721449,0.03117 03,-0.0036912,0.0670333,0.0037415,-1.0962583,0.1975469,0.2299579,0.089 6836,-0.5138861,0.135102,0.6341578,-0.0283577,-0.4253727,-1.0962648,-0 .1974825,0.229986,-0.0895514,-0.5138918,-0.1350968,0.634169,0.0283447, -0.425356,-0.2976925,0.0000079,0.0030329,0.0000053,0.0560431,-0.000004 2,-0.0226168,-0.0000037,0.0066718|Polar=121.1855982,-0.001068,96.57702 19,-6.4022412,-0.0007073,86.0910803|PG=C01 [X(C9H12O2)]|NImag=1||0.393 23733,-0.01323562,0.65395641,-0.28753733,-0.04436685,0.47246030,-0.074 55543,0.01638079,0.03436430,0.39323889,-0.01638617,-0.31047559,0.03294 521,0.01319968,0.65396983,0.03436554,-0.03291219,-0.10372833,-0.287537 47,0.04435013,0.47244522,0.01648572,-0.07073606,-0.02138708,-0.1707783 6,-0.04472488,0.12136291,0.25904447,-0.01939601,-0.03647462,0.01815710 ,-0.10429221,-0.17033206,0.07949364,0.14178951,0.66544851,-0.00412272, 0.02093919,0.01047549,0.14304007,0.06592741,-0.19242125,-0.21634658,-0 .01098095,0.46162668,-0.00635048,0.00795025,0.00072802,-0.01076748,-0. 00037440,0.02607061,-0.06764654,0.00789377,0.03223068,0.57816413,0.004 57341,-0.00501897,-0.00215436,0.00257857,0.01865105,0.00973328,0.00194 244,-0.10694800,-0.03498239,0.02318504,0.46049183,-0.00073548,-0.00238 042,0.00174599,0.00793492,-0.00517364,-0.01962484,0.04441247,-0.042378 82,-0.16720649,0.00479724,-0.03933025,0.50016929,-0.01076758,0.0003801 2,0.02607020,-0.00635108,-0.00795005,0.00072947,0.00650073,0.00878711, -0.00469376,-0.07916966,0.00009101,0.00485835,0.57816186,-0.00257586,0 .01865041,-0.00974096,-0.00457350,-0.00501764,0.00215548,0.00481094,-0 .01659860,-0.01526103,-0.00009375,-0.16027079,0.00537548,-0.02318962,0 .46050735,0.00793561,0.00516694,-0.01962406,-0.00073463,0.00238154,0.0 0174521,-0.00060060,-0.02881981,0.00440840,0.00485832,-0.00536180,-0.0 7545075,0.00480344,0.03933711,0.50015655,-0.17077127,0.04474539,0.1213 5186,0.01648985,0.07072994,-0.02139967,-0.05320944,-0.00647170,0.00609 612,0.00650020,-0.00481217,-0.00059830,-0.06764727,-0.00193693,0.04441 459,0.25903177,0.10431628,-0.17036365,-0.07950317,0.01939290,-0.036485 40,-0.01814827,0.00647490,-0.00526178,-0.00480702,-0.00878906,-0.01659 057,0.02882355,-0.00789027,-0.10693445,0.04236633,-0.14180702,0.665465 02,0.14301955,-0.06593782,-0.19239706,-0.00412687,-0.02093125,0.010482 02,0.00609532,0.00480701,-0.00543086,-0.00469151,0.01526462,0.00440129 ,0.03223354,0.03497068,-0.16721934,-0.21632240,0.01095675,0.46162281,- 0.11270423,-0.06041444,0.10789869,0.00252067,-0.00215088,-0.00159866,0 .00605902,0.00082274,0.00280421,-0.00062242,0.00004103,-0.00072749,0.0 0207402,0.00398558,0.00097510,-0.00243539,-0.01207140,0.01683955,0.111 48333,-0.06348645,-0.12569305,0.09987145,-0.01778606,-0.01143033,0.024 21610,0.00188288,-0.00566128,-0.00152150,0.00024886,-0.00026337,-0.000 36358,0.00316406,-0.00087262,-0.00079785,0.00714335,0.01070251,-0.0140 2223,0.07068070,0.13124246,0.11028357,0.10338443,-0.18633731,-0.000513 64,-0.00440060,0.00202331,0.00288227,0.00019133,0.00299656,-0.00060215 ,-0.00080295,-0.00023290,0.00660077,-0.00060868,0.00154541,0.00934290, 0.01002644,-0.01067632,-0.12172321,-0.10713641,0.19394112,0.00252159,0 .00214995,-0.00160017,-0.11269837,0.06043194,0.10788397,-0.00243516,0. 01207482,0.01683816,0.00207365,-0.00398555,0.00097578,-0.00062244,-0.0 0004114,-0.00072747,0.00605888,-0.00082282,0.00280441,-0.00201837,0.00 008322,-0.00199753,0.11147668,0.01778531,-0.01143459,-0.02421377,0.063 50430,-0.12573287,-0.09988668,-0.00714115,0.01070294,0.01401783,-0.003 16310,-0.00087205,0.00079821,-0.00024894,-0.00026316,0.00036362,-0.001 88295,-0.00566093,0.00152282,-0.00008340,0.00127223,0.00046756,-0.0707 0017,0.13128497,-0.00051641,0.00440288,0.00202662,0.11026817,-0.103399 80,-0.18630324,0.00934360,-0.01003043,-0.01067694,0.00660131,0.0006087 7,0.00154515,-0.00060207,0.00080299,-0.00023310,0.00288257,-0.00019002 ,0.00299634,-0.00199754,-0.00046776,-0.00044264,-0.12170637,0.10715265 ,0.19390518,-0.00009721,0.00071139,0.00786384,0.00172147,-0.02568802,- 0.00247792,-0.04247922,-0.02513228,0.00903864,0.00214679,0.00714577,-0 .00072070,0.00089921,0.00238307,0.00087542,0.00035375,0.00158776,0.000 66990,0.00034649,-0.00159175,0.00017486,-0.00222698,0.00095043,-0.0031 4602,0.04003985,-0.00302058,0.00054259,0.00094160,0.00139185,-0.011080 27,-0.00307297,-0.03326074,-0.32794940,-0.02612226,-0.00117381,-0.0086 1489,0.00148723,0.00051114,0.00071825,-0.00161102,-0.00000038,0.000470 51,-0.00032580,0.00000353,-0.00064066,-0.00017885,0.00058218,0.0008817 9,0.00103838,0.03452782,0.34654204,0.00460408,0.00235369,0.00204047,-0 .00007353,0.01833505,0.00370268,0.00878284,-0.02498489,-0.05107527,-0. 00176667,-0.02908449,0.00000265,0.00193243,0.00106418,-0.00546436,0.00 116182,0.00134781,-0.00084443,0.00020587,0.00079683,0.00020543,-0.0025 1315,0.00018872,-0.00111457,-0.00999874,0.02794807,0.05227069,0.000144 13,0.00055322,-0.00038692,-0.00024488,0.00210659,0.00094311,-0.0062550 4,-0.00242830,0.00333979,-0.25763669,-0.08426923,0.06168923,0.00353228 ,0.00192935,-0.00220562,0.00027819,0.00064215,-0.00013486,-0.00002721, -0.00007831,-0.00001920,0.00021221,-0.00037124,0.00058764,0.00039486,0 .00025569,0.00036485,0.28099854,0.00070834,-0.00115090,-0.00018602,0.0 0058394,0.00102070,-0.00330080,0.01135200,0.00636135,-0.00043728,-0.08 343816,-0.08499436,0.02439115,-0.02571333,-0.01131583,0.00751036,-0.00 074638,-0.00326423,-0.00188690,0.00006295,0.00011380,0.00011545,0.0000 2415,0.00028880,-0.00060445,0.00005024,0.00036921,0.00061233,0.0879673 8,0.09229589,-0.00027242,-0.00090457,0.00035290,0.00230740,-0.00398905 ,-0.00382860,0.02798527,0.01262040,-0.01165876,0.05768700,0.02493512,- 0.06446501,0.00005718,-0.00086399,-0.00059855,-0.00072195,0.00080756,- 0.00039620,0.00004610,0.00008050,0.00006954,0.00036937,0.00091684,-0.0 0162121,-0.00090737,-0.00017569,0.00076241,-0.06659038,-0.02511542,0.0 7350822,-0.00024501,-0.00210641,0.00094360,0.00014408,-0.00055333,-0.0 0038682,0.00027819,-0.00064233,-0.00013466,0.00353331,-0.00193034,-0.0 0220562,-0.25762957,0.08428736,0.06167334,-0.00625553,0.00242946,0.003 33946,0.00021222,0.00037134,0.00058761,-0.00002721,0.00007831,-0.00001 922,-0.00012040,-0.00007702,-0.00023899,0.00197368,-0.00000225,-0.0002 2248,0.28099127,-0.00058350,0.00102205,0.00329993,-0.00070845,-0.00115 066,0.00018628,0.00074609,-0.00326400,0.00188737,0.02571271,-0.0113179 3,-0.00750827,0.08345568,-0.08501028,-0.02439010,-0.01134672,0.0063597 3,0.00043406,-0.00002408,0.00028873,0.00060410,-0.00006294,0.00011376, -0.00011546,0.00048873,-0.00056530,-0.00101232,0.00000223,0.00186026,- 0.00022456,-0.08798710,0.09231217,0.00230769,0.00398813,-0.00382981,-0 .00027226,0.00090483,0.00035272,-0.00072212,-0.00080703,-0.00039639,0. 00005286,0.00086592,-0.00059742,0.05767126,-0.02493408,-0.06445644,0.0 2798662,-0.01262466,-0.01165665,0.00036932,-0.00091718,-0.00162116,0.0 0004610,-0.00008051,0.00006957,0.00018007,-0.00014646,-0.00007705,-0.0 0022236,0.00022412,0.00126520,-0.06657377,0.02511507,0.07349906,0.0017 2264,0.02568696,-0.00248212,-0.00009707,-0.00071002,0.00786390,0.00035 365,-0.00158764,0.00067020,0.00089908,-0.00238293,0.00087591,0.0021465 3,-0.00714645,-0.00071957,-0.04247666,0.02512073,0.00903566,-0.0022270 5,-0.00095081,-0.00314591,0.00034657,0.00159173,0.00017461,-0.00027137 ,0.00019560,-0.00031420,-0.00012042,-0.00048873,0.00018016,0.00039480, -0.00005042,-0.00090740,0.04003672,-0.00139245,-0.01108400,0.00307560, 0.00302139,0.00054194,-0.00094173,0.00000056,0.00047042,0.00032556,-0. 00051084,0.00071847,0.00160994,0.00117304,-0.00861000,-0.00148577,0.03 324913,-0.32794338,0.02616848,-0.00058246,0.00088166,-0.00103857,-0.00 000354,-0.00064084,0.00017898,-0.00019564,0.00000358,-0.00013401,0.000 07696,-0.00056509,0.00014653,-0.00025566,0.00036914,0.00017577,-0.0345 1543,0.34653577,-0.00007409,-0.01833264,0.00370526,0.00460347,-0.00235 363,0.00204101,0.00116175,-0.00134809,-0.00084424,0.00193250,-0.001065 32,-0.00546445,-0.00176556,0.02908604,-0.00000200,0.00877839,0.0250311 3,-0.05108391,-0.00251307,-0.00018893,-0.00111436,0.00020584,-0.000796 69,0.00020553,-0.00031416,0.00013403,0.00003271,-0.00023896,0.00101242 ,-0.00007724,0.00036487,-0.00061228,0.00076248,-0.00999431,-0.02799720 ,0.05228011,0.00066950,-0.00055572,0.00120481,0.00037805,-0.00032063,- 0.00028519,-0.00043494,0.00059552,0.00048955,0.00037644,0.00244842,0.0 0101296,-0.16003251,-0.05399161,-0.11198552,0.00618678,0.00384334,0.00 800485,-0.00043023,-0.00010131,-0.00051659,0.00003522,0.00001522,0.000 00911,0.00008301,0.00004003,0.00003097,0.00078335,-0.00051166,0.000039 39,-0.02175051,-0.00914215,-0.02136705,0.00034660,0.00022996,-0.000657 79,0.17108163,0.00100332,-0.00137713,0.00035759,0.00108778,0.00090937, -0.00024512,-0.00187863,-0.00323183,0.00234241,-0.01947072,-0.01573799 ,-0.02015851,-0.05156292,-0.07027765,-0.05389098,0.00636025,0.00510002 ,0.00878526,-0.00034088,-0.00008838,-0.00043278,0.00009989,0.00005195, -0.00003909,-0.00034444,-0.00019687,-0.00157974,-0.00003204,-0.0040382 5,-0.00056930,0.00751355,0.00381974,0.00823253,-0.00003806,0.00012123, -0.00066810,0.05696731,0.08343953,-0.00218811,0.00449970,0.00130072,-0 .00114505,-0.00263459,0.00116705,0.00200003,0.00030086,-0.00035276,0.0 0050290,0.00077460,0.00115583,-0.11537148,-0.05839600,-0.16152818,-0.0 1331271,-0.00749836,-0.02750983,0.00087689,0.00018922,0.00074508,-0.00 013966,-0.00000613,-0.00014947,-0.00021108,0.00005157,-0.00009009,0.00 046445,0.00050984,-0.00002496,0.00515564,0.00328839,0.00697515,0.00018 431,0.00042842,0.00062747,0.12372439,0.05689392,0.17809007,0.00037802, 0.00032063,-0.00028521,0.00066950,0.00055580,0.00120475,0.00618629,-0. 00384201,0.00800497,-0.16002863,0.05397698,-0.11199227,0.00037721,-0.0 0244895,0.00101426,-0.00043487,-0.00059555,0.00048954,0.00003522,-0.00 001522,0.00000911,-0.00043020,0.00010124,-0.00051658,0.00034659,-0.000 23008,-0.00065772,-0.02175046,0.00913967,-0.02136884,0.00078339,0.0005 1145,0.00003933,0.00008302,-0.00004004,0.00003104,0.00237939,-0.000256 80,0.00062870,0.17107739,-0.00108796,0.00090991,0.00024517,-0.00100378 ,-0.00137791,-0.00035716,-0.00636253,0.00510024,-0.00879108,0.05154771 ,-0.07026342,0.05388049,0.01947019,-0.01573549,0.02016120,0.00187883,- 0.00323230,-0.00234193,-0.00009991,0.00005196,0.00003906,0.00034104,-0 .00008836,0.00043295,0.00003808,0.00012128,0.00066821,-0.00751156,0.00 381772,-0.00823102,0.00003189,-0.00403830,0.00056999,0.00034439,-0.000 19663,0.00157974,0.00025690,0.00140434,0.00085555,-0.05695069,0.083425 44,-0.00114475,0.00263467,0.00116653,-0.00218814,-0.00449911,0.0013015 1,-0.01331142,0.00749347,-0.02750953,-0.11537762,0.05838565,-0.1615463 2,0.00049958,-0.00077178,0.00115256,0.00199970,-0.00030046,-0.00035233 ,-0.00013964,0.00000610,-0.00014948,0.00087682,-0.00018912,0.00074504, 0.00018428,-0.00042834,0.00062742,0.00515685,-0.00328812,0.00697715,0. 00046442,-0.00050920,-0.00002496,-0.00021114,-0.00005154,-0.00009034,0 .00062866,-0.00085552,0.00222906,0.12373149,-0.05688329,0.17810840,-0. 03267685,0.03259056,0.01353702,-0.00722824,-0.02920686,0.01010508,0.02 610030,0.00561570,-0.00247243,-0.00271230,-0.00026203,-0.00140155,-0.0 0600452,-0.00197790,-0.01246562,0.05525414,0.00734502,0.00557341,-0.00 153091,0.00045410,-0.00149418,-0.00126231,-0.00047135,-0.00077213,-0.0 0144026,-0.00025373,-0.00094702,-0.00038290,-0.00044380,0.00054218,-0. 00177103,0.00061868,0.00331994,-0.00086936,0.00083603,-0.00068737,-0.0 0103241,0.00087890,0.00016736,-0.00010913,-0.00029633,-0.00053044,0.26 316753,-0.02424912,0.04199561,0.02214483,-0.01765443,-0.04380861,0.019 44241,0.06379609,-0.00390113,0.00379736,-0.00758028,0.00041211,-0.0038 7550,-0.00812403,0.00040333,-0.00419549,0.07106246,-0.01098217,0.00722 676,-0.00268328,0.00020418,-0.00188759,-0.00275104,-0.00020329,-0.0017 1901,-0.00189165,0.00009502,-0.00177515,-0.00002045,0.00048666,0.00049 970,0.00021414,-0.00036553,0.00002107,-0.00782470,-0.00152762,-0.00544 512,0.00036351,0.00101560,-0.00193417,-0.00012124,-0.00104541,-0.00304 845,-0.02265478,0.67742800,-0.01004303,0.01518656,0.00604501,-0.003558 82,-0.01603160,0.00829987,0.01702977,0.00364269,-0.00039541,-0.0034888 0,-0.00030663,-0.00091677,-0.01307665,-0.00235306,-0.01317052,0.033860 03,0.00662313,-0.00595269,-0.00072617,0.00033618,-0.00089505,-0.000938 09,0.00003297,-0.00053835,-0.00122037,0.00042372,-0.00108181,0.0004919 8,0.00063090,0.00006592,-0.00089279,-0.00068768,-0.00239365,-0.0006942 2,0.00025104,-0.00074029,0.00049235,0.00183069,-0.00381443,0.00024298, -0.00060220,-0.00094958,-0.23120615,-0.19340017,0.45429111,-0.00722621 ,0.02920711,0.01009942,-0.03267753,-0.03258513,0.01354158,0.05525118,- 0.00734710,0.00557458,-0.00600416,0.00197614,-0.01246588,-0.00271197,0 .00026196,-0.00140146,0.02609740,-0.00561741,-0.00247160,-0.00126218,0 .00047127,-0.00077214,-0.00153082,-0.00045427,-0.00149403,-0.00086910, -0.00083616,-0.00068705,-0.00177108,-0.00061797,0.00331987,-0.00038287 ,0.00044394,0.00054212,-0.00144014,0.00025365,-0.00094698,-0.00010911, 0.00029621,-0.00053037,-0.00103245,-0.00087878,0.00016759,-0.05365652, -0.05702546,0.00220440,0.26316916,0.01765200,-0.04381127,-0.01943407,0 .02425099,0.04198965,-0.02215155,-0.07106009,-0.01098112,-0.00722629,0 .00812205,0.00040399,0.00419370,0.00757981,0.00041243,0.00387523,-0.06 379414,-0.00389911,-0.00379647,0.00275093,-0.00020316,0.00171899,0.002 68324,0.00020433,0.00188748,0.00782466,-0.00152711,0.00544536,-0.00021 422,-0.00036536,-0.00002161,0.00002058,0.00048644,-0.00049963,0.001891 49,0.00009515,0.00177498,0.00012124,-0.00104482,0.00304849,-0.00036334 ,0.00101567,0.00193334,0.05701388,-0.32941261,0.02054556,0.02263404,0. 67749047,-0.00356105,0.01604065,0.00830047,-0.01004792,-0.01519228,0.0 0605141,0.03387215,-0.00662392,-0.00595041,-0.01307811,0.00235148,-0.0 1317180,-0.00349012,0.00030664,-0.00091756,0.01704041,-0.00364299,-0.0 0039409,-0.00093857,-0.00003298,-0.00053864,-0.00072664,-0.00033633,-0 .00089532,-0.00069562,-0.00025085,-0.00074118,-0.00089266,0.00068744,- 0.00239386,0.00049196,-0.00063104,0.00006634,-0.00122070,-0.00042385,- 0.00108204,0.00024298,0.00060220,-0.00095021,0.00049233,-0.00183152,-0 .00381446,0.00219405,-0.02050517,-0.08815869,-0.23120114,0.19337266,0. 45422632,-0.00008159,0.00038795,-0.00002134,-0.00008143,-0.00038801,-0 .00002129,-0.00083777,0.00029588,0.00034142,-0.00003671,0.00025577,-0. 00023692,-0.00003673,-0.00025576,-0.00023687,-0.00083772,-0.00029577,0 .00034153,0.00007167,0.00008560,-0.00010553,0.00007166,-0.00008562,-0. 00010551,0.00014595,-0.00009352,0.00015564,-0.00142820,0.00017683,-0.0 0119517,-0.00142834,-0.00017711,-0.00119541,0.00014594,0.00009354,0.00 015563,0.00016220,0.00003552,0.00021197,0.00016219,-0.00003550,0.00021 198,-0.03086294,-0.01978173,0.02996421,-0.03086014,0.01978844,0.029959 75,0.64640355,-0.00379525,-0.00139451,0.00030999,0.00379498,-0.0013949 1,-0.00030979,-0.00118043,0.00019161,-0.00145295,0.00023290,0.00082564 ,-0.00001173,-0.00023325,0.00082575,0.00001175,0.00118071,0.00019188,0 .00145318,0.00016167,-0.00003253,-0.00010851,-0.00016166,-0.00003247,0 .00010851,0.00025734,-0.00021371,-0.00009638,0.00100625,-0.00027916,0. 00185982,-0.00100622,-0.00027978,-0.00185970,-0.00025735,-0.00021368,0 .00009633,0.00024145,-0.00036622,-0.00002212,-0.00024135,-0.00036621,0 .00002207,-0.04808726,0.00865386,0.02469087,0.04809273,0.00864433,-0.0 2469801,-0.00000591,0.36025165,-0.00142415,0.00125322,-0.00009280,-0.0 0142488,-0.00125293,-0.00009254,0.00155483,-0.00031789,0.00167029,-0.0 0240524,-0.00052339,0.00093286,-0.00240519,0.00052351,0.00093277,0.001 55464,0.00031804,0.00166997,0.00005002,-0.00015268,-0.00005268,0.00005 006,0.00015267,-0.00005272,-0.00003005,-0.00004026,-0.00047203,-0.0000 1757,0.00204789,0.00017564,-0.00001748,-0.00204782,0.00017629,-0.00003 001,0.00004022,-0.00047205,0.00073165,0.00003208,-0.00060890,0.0007316 9,-0.00003215,-0.00060890,0.02258091,0.01410862,-0.02645969,0.02257214 ,-0.01411543,-0.02645316,0.00462060,0.00002161,0.61532834,0.00208986,- 0.00533382,-0.00110213,0.00267390,0.00642954,-0.00538196,-0.01437846,- 0.00238354,-0.00666381,0.00005930,0.00029033,0.00000410,0.00063158,0.0 0025913,0.00059097,-0.00645536,-0.00044103,-0.00005116,0.00023972,-0.0 0012644,0.00015097,0.00007507,0.00006899,0.00046553,0.00066048,0.00034 157,0.00023775,0.00010676,0.00002889,-0.00047370,0.00006743,-0.0000603 3,-0.00009526,0.00012896,-0.00003865,0.00013772,0.00000098,-0.00004410 ,0.00023602,0.00006661,-0.00007712,-0.00038917,0.00383521,0.00886575,- 0.00077260,-0.03806931,0.02287064,0.06178408,-0.00140402,-0.00473542,0 .00436473,0.06229719,-0.00037316,0.00215529,0.00060074,-0.00187175,-0. 00177711,0.00151974,0.00496504,0.00197467,0.00252410,0.00011989,-0.000 20176,0.00002634,-0.00013404,-0.00010094,-0.00004754,0.00239174,-0.000 61046,0.00003659,-0.00018524,-0.00002546,-0.00006553,-0.00012907,0.000 10952,-0.00015971,-0.00021403,0.00003619,0.00002378,-0.00010479,-0.000 03707,0.00009273,-0.00000004,-0.00005366,0.00002806,-0.00022887,-0.000 05542,-0.00017965,0.00000375,0.00004570,-0.00009569,-0.00003714,0.0000 3773,0.00020537,0.00882352,-0.00775318,-0.02023075,0.03822207,-0.17098 679,-0.15597056,-0.00213093,-0.00312788,0.00224676,-0.04358676,0.17189 851,0.00122841,-0.00509662,-0.00145476,0.00390060,0.00487547,-0.000915 55,-0.00977691,-0.00082742,-0.00366699,0.00046289,0.00012263,0.0001849 8,0.00065177,0.00014744,0.00033110,-0.00492667,0.00054787,0.00023165,0 .00025348,0.00002210,0.00012180,-0.00002301,0.00011193,0.00014205,0.00 004196,0.00061830,0.00004432,0.00010469,-0.00007027,-0.00022345,0.0000 5861,0.00005364,-0.00002686,0.00015505,0.00002002,0.00016368,-0.000039 24,-0.00004286,0.00021451,-0.00002403,-0.00000419,-0.00012957,-0.00214 611,0.00959910,0.00663121,0.07745843,-0.16235760,-0.21807091,-0.000228 42,0.00285244,-0.00110889,-0.07473536,0.15679294,0.22788802,0.00015825 ,-0.00041162,-0.00034853,0.00015824,0.00041156,-0.00034859,-0.00013279 ,0.00007020,0.00051508,-0.00045200,-0.00008556,-0.00019770,-0.00045201 ,0.00008556,-0.00019772,-0.00013281,-0.00007012,0.00051509,0.00000410, -0.00000870,-0.00003146,0.00000410,0.00000870,-0.00003146,0.00004295,- 0.00005890,-0.00001329,-0.00041611,0.00051694,-0.00007435,-0.00041621, -0.00051694,-0.00007431,0.00004295,0.00005890,-0.00001330,-0.00001973, 0.00009023,-0.00010980,-0.00001973,-0.00009025,-0.00010978,0.00076512, -0.00122788,0.00003561,0.00076481,0.00122772,0.00003532,-0.07722992,-0 .00000486,-0.06588180,-0.00059651,-0.00017975,0.00037675,0.07273280,0. 00052195,0.00015537,-0.00022460,-0.00052187,0.00015554,0.00022455,0.00 004164,-0.00020942,-0.00004451,0.00053210,0.00023012,-0.00006107,-0.00 053193,0.00023012,0.00006096,-0.00004178,-0.00020942,0.00004451,-0.000 03573,-0.00000836,-0.00002310,0.00003573,-0.00000836,0.00002311,-0.000 01275,0.00002592,-0.00000962,0.00021053,-0.00036323,-0.00005230,-0.000 21060,-0.00036307,0.00005239,0.00001276,0.00002592,0.00000964,0.000071 55,-0.00000695,-0.00012676,-0.00007162,-0.00000693,0.00012681,0.007543 34,-0.00379254,0.00114986,-0.00754395,-0.00379284,-0.00114908,-0.00000 417,-0.04508150,-0.00001880,0.00119418,0.00075401,-0.00083126,0.000004 25,0.06224394,0.00047151,-0.00077537,-0.00021874,0.00047164,0.00077528 ,-0.00021890,-0.00086632,0.00010350,-0.00007173,0.00080311,0.00015379, -0.00048874,0.00080320,-0.00015395,-0.00048872,-0.00086631,-0.00010343 ,-0.00007171,-0.00004263,0.00002706,0.00004082,-0.00004264,-0.00002705 ,0.00004082,0.00005156,0.00000873,0.00016221,-0.00038132,-0.00067884,0 .00010113,-0.00038118,0.00067901,0.00010111,0.00005156,-0.00000871,0.0 0016221,-0.00045486,0.00004531,0.00023722,-0.00045485,-0.00004525,0.00 023721,-0.00256693,0.00237016,0.00085386,-0.00256573,-0.00236930,0.000 85447,-0.05783347,-0.00001897,-0.28432930,0.00043325,0.00026583,-0.000 49294,0.05332910,0.00002009,0.31399287,0.00267365,-0.00643065,-0.00538 095,0.00209013,0.00533364,-0.00110304,-0.00645546,0.00044128,-0.000051 24,0.00063157,-0.00025906,0.00059101,0.00005931,-0.00029032,0.00000416 ,-0.01437852,0.00238312,-0.00666423,0.00007507,-0.00006892,0.00046555, 0.00023974,0.00012646,0.00015095,0.00012897,0.00003866,0.00013772,0.00 006743,0.00006031,-0.00009527,0.00010677,-0.00002897,-0.00047370,0.000 66047,-0.00034156,0.00023780,0.00006662,0.00007705,-0.00038918,0.00000 098,0.00004414,0.00023602,-0.03807222,-0.02286637,0.06179508,0.0038345 0,-0.00886631,-0.00077027,-0.00140373,0.00473608,0.00436383,-0.0013031 8,0.00058289,-0.00106967,-0.00059656,-0.00119405,0.00043344,0.06230114 ,0.00187221,-0.00177801,-0.00151936,0.00037337,0.00215580,-0.00060129, -0.00239234,-0.00061046,-0.00003644,0.00013412,-0.00010095,0.00004759, -0.00011982,-0.00020177,-0.00002628,-0.00496598,0.00197450,-0.00252473 ,0.00012907,0.00010952,0.00015970,0.00018526,-0.00002546,0.00006554,0. 00022889,-0.00005540,0.00017968,0.00000004,-0.00005368,-0.00002805,0.0 0010480,-0.00003708,-0.00009275,0.00021401,0.00003608,-0.00002379,0.00 003714,0.00003769,-0.00020537,-0.00000375,0.00004572,0.00009571,-0.038 21511,-0.17093106,0.15595999,-0.00882440,-0.00775054,0.02023316,0.0021 3084,-0.00312904,-0.00224662,-0.00058301,0.00014624,-0.00090760,0.0001 7987,0.00075415,-0.00026605,0.04357924,0.17184234,0.00390003,-0.004875 49,-0.00091448,0.00122858,0.00509595,-0.00145551,-0.00492631,-0.000547 51,0.00023174,0.00065173,-0.00014739,0.00033111,0.00046292,-0.00012257 ,0.00018501,-0.00977599,0.00082688,-0.00366665,-0.00002303,-0.00011193 ,0.00014205,0.00025345,-0.00002208,0.00012179,0.00015502,-0.00001999,0 .00016365,0.00005861,-0.00005364,-0.00002685,0.00010467,0.00007023,-0. 00022345,0.00004189,-0.00061830,0.00004443,-0.00002403,0.00000416,-0.0 0012953,-0.00003924,0.00004289,0.00021449,0.07747229,0.16234629,-0.218 12398,-0.00214502,-0.00959657,0.00662940,-0.00022888,-0.00285209,-0.00 110803,-0.00106954,0.00090750,-0.00071863,0.00037676,0.00083103,-0.000 49303,-0.07474993,-0.15678031,0.22794023,0.00206500,0.00101305,-0.0022 0175,-0.00608776,0.00332218,-0.00135361,-0.00196139,-0.00227875,0.0029 2255,-0.00092393,0.00015552,0.00042359,-0.00202208,0.00068969,0.003792 98,-0.00993355,0.00235429,0.00215790,-0.00016464,-0.00025113,0.0003228 3,0.00034646,0.00010127,0.00007375,0.00011993,0.00014503,-0.00013612,0 .00051297,0.00064316,-0.00062825,0.00096599,-0.00067527,-0.00011524,0. 00007577,-0.00092810,-0.00023406,0.00108302,-0.00035977,-0.00013536,0. 00027802,0.00010969,-0.00051170,-0.13256886,0.07479100,0.09694025,-0.0 3634408,0.02190729,0.02564978,-0.10339894,-0.02200582,0.03234129,0.003 78855,-0.00007710,0.00104576,0.00597275,-0.00944218,0.00667547,-0.0141 4182,0.00599683,0.00736875,0.27918493,0.00176315,-0.00251093,-0.002096 66,0.00110411,0.00297676,-0.00162462,-0.00480840,-0.00009066,-0.000876 19,-0.00006768,-0.00059345,0.00055248,0.00090406,0.00002105,-0.0001533 8,-0.00524524,0.00129267,-0.00087995,0.00042286,0.00005801,0.00017449, 0.00038258,0.00000130,0.00022859,0.00012047,0.00027151,0.00030844,0.00 000746,0.00015485,-0.00029046,-0.00029895,-0.00034397,0.00139238,0.001 20366,0.00075597,0.00058418,-0.00041106,0.00000578,0.00039660,0.000210 48,0.00039994,0.00032525,0.04232421,-0.10976985,-0.00870979,0.02367225 ,-0.04300624,-0.01497035,-0.01392422,-0.13637824,0.02317632,-0.0008980 5,-0.00332658,0.00189347,-0.00551985,-0.00882240,0.01425110,-0.0169801 3,0.01093276,0.00787584,-0.02690730,0.35031273,-0.00101645,-0.00201900 ,0.00054307,0.00399890,0.00163082,-0.00153062,-0.00472162,0.00118001,- 0.00166620,0.00144669,-0.00010036,0.00022136,0.00210516,-0.00054281,-0 .00127162,-0.00324119,0.00033964,-0.00178494,0.00013597,0.00006739,0.0 0001995,-0.00001250,-0.00008550,0.00017653,0.00005462,0.00013501,0.000 35790,-0.00046862,-0.00064226,0.00034394,-0.00145696,0.00102397,0.0016 5999,0.00042296,0.00042417,0.00049627,-0.00094356,-0.00036626,0.001725 57,-0.00009099,0.00029089,0.00057758,0.08206148,-0.03478127,-0.1062735 9,0.03788453,-0.02966276,-0.00535200,0.02835469,0.03976789,-0.10320810 ,0.00063780,-0.00162325,0.00223838,0.02202032,0.03466022,-0.01248136,0 .02129329,-0.01305810,-0.01141171,-0.18088269,-0.01575863,0.22255244,- 0.00608788,-0.00332200,-0.00135300,0.00206485,-0.00101357,-0.00220152, -0.00993357,-0.00235351,0.00215840,-0.00202209,-0.00068895,0.00379309, -0.00092394,-0.00015542,0.00042360,-0.00196113,0.00227930,0.00292218,0 .00034644,-0.00010127,0.00007377,-0.00016464,0.00025119,0.00032279,0.0 0007577,0.00092809,-0.00023421,0.00096597,0.00067519,-0.00011543,0.000 51296,-0.00064326,-0.00062812,0.00011992,-0.00014504,-0.00013611,0.000 27800,-0.00010977,-0.00051170,0.00108305,0.00035970,-0.00013543,-0.036 34605,-0.02190307,0.02565414,-0.13257387,-0.07477384,0.09695304,-0.103 39740,0.02201006,0.03233663,-0.01414133,-0.00599449,0.00736945,0.00597 330,0.00944267,0.00667329,0.00378859,0.00007695,0.00104568,0.02207583, 0.01440534,-0.01469547,0.27918743,-0.00110301,0.00297695,0.00162391,-0 .00176355,-0.00251010,0.00209728,0.00524523,0.00129260,0.00087933,-0.0 0090361,0.00002124,0.00015300,0.00006794,-0.00059352,-0.00055236,0.004 80763,-0.00009104,0.00087578,-0.00038259,0.00000130,-0.00022856,-0.000 42283,0.00005798,-0.00017451,-0.00120356,0.00075582,-0.00058422,0.0002 9867,-0.00034448,-0.00139194,-0.00000756,0.00015504,0.00029049,-0.0001 2046,0.00027144,-0.00030842,-0.00021049,0.00039985,-0.00032520,0.00041 085,0.00000574,-0.00039630,-0.02366610,-0.04299676,0.01497560,-0.04230 950,-0.10975738,0.00870619,0.01392787,-0.13639069,-0.02317230,0.016984 78,0.01093311,-0.00787988,0.00552291,-0.00883130,-0.01425202,0.0008978 6,-0.00332667,-0.00189258,-0.01441135,-0.05885225,0.01103713,0.0268797 0,0.35031604,0.00399895,-0.00163177,-0.00153060,-0.00101603,0.00201957 ,0.00054236,-0.00324213,-0.00033996,-0.00178499,0.00210535,0.00054248, -0.00127174,0.00144669,0.00010043,0.00022145,-0.00472243,-0.00118004,- 0.00166612,-0.00001243,0.00008553,0.00017656,0.00013604,-0.00006740,0. 00001999,0.00042313,-0.00042422,0.00049644,-0.00145710,-0.00102352,0.0 0166035,-0.00046859,0.00064228,0.00034373,0.00005463,-0.00013500,0.000 35797,-0.00009097,-0.00029086,0.00057768,-0.00094361,0.00036658,0.0017 2557,0.03788968,0.02966742,-0.00535965,0.08206995,0.03477838,-0.106280 81,0.02835074,-0.03976370,-0.10319754,0.02129102,0.01305341,-0.0114126 0,0.02201790,-0.03466175,-0.01247311,0.00063773,0.00162417,0.00223844, -0.01469347,-0.01102504,0.00864810,-0.18088642,0.01574488,0.22254722,- 0.00058196,0.00046896,0.00002475,-0.00058201,-0.00046892,0.00002484,0. 00067859,-0.00023116,0.00042077,-0.00001138,0.00001540,-0.00008673,-0. 00001138,-0.00001541,-0.00008672,0.00067857,0.00023119,0.00042073,-0.0 0004536,-0.00001904,0.00002733,-0.00004536,0.00001905,0.00002732,-0.00 000154,0.00004374,-0.00003326,0.00006262,-0.00002770,0.00013170,0.0000 6261,0.00002772,0.00013170,-0.00000154,-0.00004374,-0.00003325,-0.0001 0137,0.00002813,-0.00010815,-0.00010138,-0.00002814,-0.00010814,-0.000 59548,-0.00073347,-0.00209311,-0.00059553,0.00073296,-0.00209307,-0.29 383759,0.00000064,-0.05421665,-0.00037342,0.00013823,-0.00013842,-0.00 615499,-0.00000004,-0.00374092,-0.00037347,-0.00013824,-0.00013842,-0. 00892216,-0.01145974,0.00711364,-0.00892021,0.01146117,0.00711136,0.31 977373,0.00048917,0.00020266,-0.00013330,-0.00048905,0.00020283,0.0001 3326,0.00049791,-0.00002799,-0.00010066,-0.00011399,0.00003407,-0.0000 9737,0.00011407,0.00003406,0.00009733,-0.00049803,-0.00002796,0.000100 59,-0.00000677,-0.00000719,0.00003059,0.00000677,-0.00000720,-0.000030 59,-0.00004052,0.00000990,-0.00001133,-0.00002641,0.00000240,-0.000101 25,0.00002638,0.00000249,0.00010125,0.00004052,0.00000990,0.00001135,0 .00000927,0.00001528,0.00000724,-0.00000930,0.00001528,-0.00000722,0.0 0149130,-0.00420459,-0.00395788,-0.00149124,-0.00420410,0.00395851,0.0 0000005,-0.05090420,-0.00000067,0.00097447,-0.00003465,0.00036035,-0.0 0000240,0.00692121,-0.00000092,-0.00097439,-0.00003467,-0.00036034,-0. 03389221,-0.00348873,0.00808306,0.03389600,-0.00349292,-0.00808186,-0. 00000158,0.05898412,0.00052106,-0.00061730,-0.00003487,0.00052117,0.00 061724,-0.00003500,-0.00058212,0.00001673,-0.00030093,0.00047888,0.000 12099,-0.00025327,0.00047886,-0.00012106,-0.00025326,-0.00058203,-0.00 001674,-0.00030094,-0.00001276,0.00001456,0.00003292,-0.00001276,-0.00 001456,0.00003292,0.00000874,0.00001006,0.00009180,-0.00018562,-0.0004 5438,0.00003231,-0.00018560,0.00045439,0.00003221,0.00000874,-0.000010 04,0.00009180,-0.00024684,0.00001294,0.00011293,-0.00024684,-0.0000129 1,0.00011293,0.00124655,0.00134337,-0.00096285,0.00124675,-0.00134288, -0.00096328,-0.06125934,-0.00000053,-0.07256886,0.00040074,0.00004880, 0.00002946,-0.03178984,-0.00000032,-0.00495565,0.00040090,-0.00004880, 0.00002953,0.02117731,0.00522592,0.00541905,0.02117137,-0.00522532,0.0 0542130,0.04744268,-0.00000015,0.06918975||-0.00000003,0.,-0.00000038, -0.00000021,-0.00000011,-0.00000028,0.00000002,0.,-0.00000015,0.000000 17,-0.00000001,-0.00000017,0.00000018,-0.00000006,-0.00000006,-0.00000 006,0.00000003,-0.00000014,-0.00000027,0.00000002,-0.00000043,-0.00000 027,0.00000002,-0.00000041,-0.00000001,0.00000006,-0.00000014,0.000000 31,0.00000006,0.00000006,0.00000029,-0.00000001,0.00000004,-0.00000003 ,0.00000004,-0.00000017,0.00000036,0.00000001,-0.00000022,0.00000035,0 .00000003,-0.00000022,-0.00000011,-0.00000009,0.00000015,-0.00000025,- 0.00000008,0.00000018,0.00000009,-0.00000010,0.00000046,-0.00000032,0. 00000003,0.00000015,0.00000022,0.00000002,0.00000042,-0.00000031,0.000 00004,0.00000007,-0.00000014,0.00000004,0.00000036,0.00000003,0.000000 06,0.00000028,0.00000001,0.,0.00000062|||@ THE MORE PROGRESS PHYSICAL SCIENCES MAKE, THE MORE THEY TEND TO ENTER THE DOMAIN OF MATHEMATICS, WHICH IS A KIND OF CENTRE TO WHICH THEY ALL CONVERGE. WE MAY EVEN JUDGE THE DEGREE OF PERFECTION TO WHICH A SCIENCE HAS ARRIVED BY THE FACILITY WITH WHICH IT MAY BE SUBMITTED TO CALCULATION. -- ADOLPHE QUETELET, 1796-1874 Job cpu time: 0 days 0 hours 13 minutes 7.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Wed Nov 30 17:36:56 2016.