Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 5024. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 08-Feb-2018 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\js5515\Desktop\3rdyearcomplab\Tutorial\Cope Rearrangem ent\EXOJMOL.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity integral=grid= ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -0.75836 0.69543 -0.97014 C -0.7587 -0.69379 -0.97167 C -2.40433 -0.00065 0.41854 O -1.81601 1.14787 -0.18452 H -0.50684 1.34596 -1.79118 H -0.50568 -1.34325 -1.79303 H -2.20062 -0.00172 1.49814 O -1.81572 -1.148 -0.18667 H -3.48768 -0.00068 0.2397 C 2.10991 -0.70275 -0.7273 C 1.19503 -1.36457 0.07735 C 0.79264 -0.78036 1.41609 C 0.79231 0.77782 1.41734 C 1.19308 1.36448 0.07907 C 2.10928 0.705 -0.72625 H 2.64975 -1.24243 -1.50301 H 1.08988 -2.44467 -0.01428 H -0.18079 -1.18526 1.71396 H -0.18096 1.18179 1.7169 H 1.08739 2.44471 -0.0104 H 2.64863 1.24635 -1.50112 H 1.50759 -1.14362 2.1674 H 1.508 1.1402 2.16834 Add virtual bond connecting atoms C11 and C2 Dist= 4.38D+00. Add virtual bond connecting atoms C14 and C1 Dist= 4.37D+00. Add virtual bond connecting atoms H18 and H7 Dist= 4.44D+00. Add virtual bond connecting atoms H19 and H7 Dist= 4.44D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3892 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.393 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0773 calculate D2E/DX2 analytically ! ! R4 R(1,14) 2.3144 calculate D2E/DX2 analytically ! ! R5 R(2,6) 1.0772 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.3928 calculate D2E/DX2 analytically ! ! R7 R(2,11) 2.3168 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4244 calculate D2E/DX2 analytically ! ! R9 R(3,7) 1.0987 calculate D2E/DX2 analytically ! ! R10 R(3,8) 1.4245 calculate D2E/DX2 analytically ! ! R11 R(3,9) 1.098 calculate D2E/DX2 analytically ! ! R12 R(7,18) 2.351 calculate D2E/DX2 analytically ! ! R13 R(7,19) 2.3511 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.3865 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.4078 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.5151 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0891 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5582 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0956 calculate D2E/DX2 analytically ! ! R21 R(12,22) 1.0989 calculate D2E/DX2 analytically ! ! R22 R(13,14) 1.5152 calculate D2E/DX2 analytically ! ! R23 R(13,19) 1.0955 calculate D2E/DX2 analytically ! ! R24 R(13,23) 1.0989 calculate D2E/DX2 analytically ! ! R25 R(14,15) 1.3867 calculate D2E/DX2 analytically ! ! R26 R(14,20) 1.0891 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0883 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9795 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 127.0905 calculate D2E/DX2 analytically ! ! A3 A(2,1,14) 106.8448 calculate D2E/DX2 analytically ! ! A4 A(4,1,5) 114.2647 calculate D2E/DX2 analytically ! ! A5 A(4,1,14) 106.8945 calculate D2E/DX2 analytically ! ! A6 A(5,1,14) 88.5146 calculate D2E/DX2 analytically ! ! A7 A(1,2,6) 127.1335 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 109.0069 calculate D2E/DX2 analytically ! ! A9 A(1,2,11) 106.788 calculate D2E/DX2 analytically ! ! A10 A(6,2,8) 114.2919 calculate D2E/DX2 analytically ! ! A11 A(6,2,11) 88.4303 calculate D2E/DX2 analytically ! ! A12 A(8,2,11) 106.8806 calculate D2E/DX2 analytically ! ! A13 A(4,3,7) 109.8911 calculate D2E/DX2 analytically ! ! A14 A(4,3,8) 107.3917 calculate D2E/DX2 analytically ! ! A15 A(4,3,9) 109.7908 calculate D2E/DX2 analytically ! ! A16 A(7,3,8) 109.8825 calculate D2E/DX2 analytically ! ! A17 A(7,3,9) 110.0593 calculate D2E/DX2 analytically ! ! A18 A(8,3,9) 109.784 calculate D2E/DX2 analytically ! ! A19 A(1,4,3) 106.8864 calculate D2E/DX2 analytically ! ! A20 A(3,7,18) 104.4776 calculate D2E/DX2 analytically ! ! A21 A(3,7,19) 104.4911 calculate D2E/DX2 analytically ! ! A22 A(18,7,19) 60.4519 calculate D2E/DX2 analytically ! ! A23 A(2,8,3) 106.8814 calculate D2E/DX2 analytically ! ! A24 A(11,10,15) 118.4632 calculate D2E/DX2 analytically ! ! A25 A(11,10,16) 120.2817 calculate D2E/DX2 analytically ! ! A26 A(15,10,16) 119.7777 calculate D2E/DX2 analytically ! ! A27 A(2,11,10) 98.9437 calculate D2E/DX2 analytically ! ! A28 A(2,11,12) 93.6968 calculate D2E/DX2 analytically ! ! A29 A(2,11,17) 99.65 calculate D2E/DX2 analytically ! ! A30 A(10,11,12) 120.2636 calculate D2E/DX2 analytically ! ! A31 A(10,11,17) 119.227 calculate D2E/DX2 analytically ! ! A32 A(12,11,17) 115.5393 calculate D2E/DX2 analytically ! ! A33 A(11,12,13) 112.7287 calculate D2E/DX2 analytically ! ! A34 A(11,12,18) 109.4946 calculate D2E/DX2 analytically ! ! A35 A(11,12,22) 107.6894 calculate D2E/DX2 analytically ! ! A36 A(13,12,18) 111.6652 calculate D2E/DX2 analytically ! ! A37 A(13,12,22) 109.2783 calculate D2E/DX2 analytically ! ! A38 A(18,12,22) 105.6652 calculate D2E/DX2 analytically ! ! A39 A(12,13,14) 112.7322 calculate D2E/DX2 analytically ! ! A40 A(12,13,19) 111.6633 calculate D2E/DX2 analytically ! ! A41 A(12,13,23) 109.2799 calculate D2E/DX2 analytically ! ! A42 A(14,13,19) 109.4952 calculate D2E/DX2 analytically ! ! A43 A(14,13,23) 107.6791 calculate D2E/DX2 analytically ! ! A44 A(19,13,23) 105.6715 calculate D2E/DX2 analytically ! ! A45 A(1,14,13) 93.7532 calculate D2E/DX2 analytically ! ! A46 A(1,14,15) 98.9948 calculate D2E/DX2 analytically ! ! A47 A(1,14,20) 99.6523 calculate D2E/DX2 analytically ! ! A48 A(13,14,15) 120.2363 calculate D2E/DX2 analytically ! ! A49 A(13,14,20) 115.5269 calculate D2E/DX2 analytically ! ! A50 A(15,14,20) 119.2178 calculate D2E/DX2 analytically ! ! A51 A(10,15,14) 118.4444 calculate D2E/DX2 analytically ! ! A52 A(10,15,21) 119.7804 calculate D2E/DX2 analytically ! ! A53 A(14,15,21) 120.2901 calculate D2E/DX2 analytically ! ! A54 A(7,18,12) 123.5285 calculate D2E/DX2 analytically ! ! A55 A(7,19,13) 123.5112 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,6) 143.7305 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,8) -0.035 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,11) -115.1677 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,6) 0.1375 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,8) -143.628 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,11) 101.2393 calculate D2E/DX2 analytically ! ! D7 D(14,1,2,6) -101.1044 calculate D2E/DX2 analytically ! ! D8 D(14,1,2,8) 115.13 calculate D2E/DX2 analytically ! ! D9 D(14,1,2,11) -0.0026 calculate D2E/DX2 analytically ! ! D10 D(2,1,4,3) 5.6747 calculate D2E/DX2 analytically ! ! D11 D(5,1,4,3) 154.3883 calculate D2E/DX2 analytically ! ! D12 D(14,1,4,3) -109.4582 calculate D2E/DX2 analytically ! ! D13 D(2,1,14,13) -64.8919 calculate D2E/DX2 analytically ! ! D14 D(2,1,14,15) 56.5288 calculate D2E/DX2 analytically ! ! D15 D(2,1,14,20) 178.4145 calculate D2E/DX2 analytically ! ! D16 D(4,1,14,13) 51.6656 calculate D2E/DX2 analytically ! ! D17 D(4,1,14,15) 173.0862 calculate D2E/DX2 analytically ! ! D18 D(4,1,14,20) -65.028 calculate D2E/DX2 analytically ! ! D19 D(5,1,14,13) 166.6112 calculate D2E/DX2 analytically ! ! D20 D(5,1,14,15) -71.9682 calculate D2E/DX2 analytically ! ! D21 D(5,1,14,20) 49.9176 calculate D2E/DX2 analytically ! ! D22 D(1,2,8,3) -5.6188 calculate D2E/DX2 analytically ! ! D23 D(6,2,8,3) -154.4868 calculate D2E/DX2 analytically ! ! D24 D(11,2,8,3) 109.454 calculate D2E/DX2 analytically ! ! D25 D(1,2,11,10) -56.5178 calculate D2E/DX2 analytically ! ! D26 D(1,2,11,12) 64.9094 calculate D2E/DX2 analytically ! ! D27 D(1,2,11,17) -178.3972 calculate D2E/DX2 analytically ! ! D28 D(6,2,11,10) 71.9824 calculate D2E/DX2 analytically ! ! D29 D(6,2,11,12) -166.5904 calculate D2E/DX2 analytically ! ! D30 D(6,2,11,17) -49.8971 calculate D2E/DX2 analytically ! ! D31 D(8,2,11,10) -173.0721 calculate D2E/DX2 analytically ! ! D32 D(8,2,11,12) -51.6449 calculate D2E/DX2 analytically ! ! D33 D(8,2,11,17) 65.0484 calculate D2E/DX2 analytically ! ! D34 D(7,3,4,1) 110.4419 calculate D2E/DX2 analytically ! ! D35 D(8,3,4,1) -9.0516 calculate D2E/DX2 analytically ! ! D36 D(9,3,4,1) -128.3702 calculate D2E/DX2 analytically ! ! D37 D(4,3,7,18) -90.3069 calculate D2E/DX2 analytically ! ! D38 D(4,3,7,19) -27.6509 calculate D2E/DX2 analytically ! ! D39 D(8,3,7,18) 27.6538 calculate D2E/DX2 analytically ! ! D40 D(8,3,7,19) 90.3098 calculate D2E/DX2 analytically ! ! D41 D(9,3,7,18) 148.6665 calculate D2E/DX2 analytically ! ! D42 D(9,3,7,19) -148.6775 calculate D2E/DX2 analytically ! ! D43 D(4,3,8,2) 9.0302 calculate D2E/DX2 analytically ! ! D44 D(7,3,8,2) -110.4688 calculate D2E/DX2 analytically ! ! D45 D(9,3,8,2) 128.3531 calculate D2E/DX2 analytically ! ! D46 D(3,7,18,12) 72.6368 calculate D2E/DX2 analytically ! ! D47 D(19,7,18,12) -26.0308 calculate D2E/DX2 analytically ! ! D48 D(3,7,19,13) -72.5729 calculate D2E/DX2 analytically ! ! D49 D(18,7,19,13) 26.0719 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,2) 65.2439 calculate D2E/DX2 analytically ! ! D51 D(15,10,11,12) -34.3928 calculate D2E/DX2 analytically ! ! D52 D(15,10,11,17) 171.6533 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,2) -100.8617 calculate D2E/DX2 analytically ! ! D54 D(16,10,11,12) 159.5017 calculate D2E/DX2 analytically ! ! D55 D(16,10,11,17) 5.5477 calculate D2E/DX2 analytically ! ! D56 D(11,10,15,14) -0.0344 calculate D2E/DX2 analytically ! ! D57 D(11,10,15,21) -166.1778 calculate D2E/DX2 analytically ! ! D58 D(16,10,15,14) 166.143 calculate D2E/DX2 analytically ! ! D59 D(16,10,15,21) -0.0003 calculate D2E/DX2 analytically ! ! D60 D(2,11,12,13) -70.0361 calculate D2E/DX2 analytically ! ! D61 D(2,11,12,18) 54.9168 calculate D2E/DX2 analytically ! ! D62 D(2,11,12,22) 169.3454 calculate D2E/DX2 analytically ! ! D63 D(10,11,12,13) 32.5597 calculate D2E/DX2 analytically ! ! D64 D(10,11,12,18) 157.5125 calculate D2E/DX2 analytically ! ! D65 D(10,11,12,22) -88.0589 calculate D2E/DX2 analytically ! ! D66 D(17,11,12,13) -172.5714 calculate D2E/DX2 analytically ! ! D67 D(17,11,12,18) -47.6186 calculate D2E/DX2 analytically ! ! D68 D(17,11,12,22) 66.81 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,14) 0.0597 calculate D2E/DX2 analytically ! ! D70 D(11,12,13,19) 123.8221 calculate D2E/DX2 analytically ! ! D71 D(11,12,13,23) -119.6353 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,14) -123.7008 calculate D2E/DX2 analytically ! ! D73 D(18,12,13,19) 0.0616 calculate D2E/DX2 analytically ! ! D74 D(18,12,13,23) 116.6042 calculate D2E/DX2 analytically ! ! D75 D(22,12,13,14) 119.7642 calculate D2E/DX2 analytically ! ! D76 D(22,12,13,19) -116.4734 calculate D2E/DX2 analytically ! ! D77 D(22,12,13,23) 0.0693 calculate D2E/DX2 analytically ! ! D78 D(11,12,18,7) -101.5144 calculate D2E/DX2 analytically ! ! D79 D(13,12,18,7) 24.0523 calculate D2E/DX2 analytically ! ! D80 D(22,12,18,7) 142.761 calculate D2E/DX2 analytically ! ! D81 D(12,13,14,1) 70.0144 calculate D2E/DX2 analytically ! ! D82 D(12,13,14,15) -32.6704 calculate D2E/DX2 analytically ! ! D83 D(12,13,14,20) 172.5786 calculate D2E/DX2 analytically ! ! D84 D(19,13,14,1) -54.9389 calculate D2E/DX2 analytically ! ! D85 D(19,13,14,15) -157.6237 calculate D2E/DX2 analytically ! ! D86 D(19,13,14,20) 47.6253 calculate D2E/DX2 analytically ! ! D87 D(23,13,14,1) -169.3697 calculate D2E/DX2 analytically ! ! D88 D(23,13,14,15) 87.9454 calculate D2E/DX2 analytically ! ! D89 D(23,13,14,20) -66.8055 calculate D2E/DX2 analytically ! ! D90 D(12,13,19,7) -24.1453 calculate D2E/DX2 analytically ! ! D91 D(14,13,19,7) 101.4249 calculate D2E/DX2 analytically ! ! D92 D(23,13,19,7) -142.8589 calculate D2E/DX2 analytically ! ! D93 D(1,14,15,10) -65.256 calculate D2E/DX2 analytically ! ! D94 D(1,14,15,21) 100.8144 calculate D2E/DX2 analytically ! ! D95 D(13,14,15,10) 34.472 calculate D2E/DX2 analytically ! ! D96 D(13,14,15,21) -159.4575 calculate D2E/DX2 analytically ! ! D97 D(20,14,15,10) -171.6974 calculate D2E/DX2 analytically ! ! D98 D(20,14,15,21) -5.6269 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 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.389217 0.000000 3 C 2.263219 2.263010 0.000000 4 O 1.393024 2.264778 1.424398 0.000000 5 H 1.077298 2.212606 3.208847 2.081952 0.000000 6 H 2.212960 1.077241 3.209123 3.241905 2.689213 7 H 2.942536 2.942456 1.098658 2.073846 3.937611 8 O 2.264957 1.392771 1.424481 2.295870 3.241520 9 H 3.065524 3.065148 1.098005 2.072105 3.850109 10 C 3.200135 2.879013 4.710016 4.374042 3.489478 11 C 3.025984 2.316776 3.864206 3.930306 3.706047 12 C 3.205873 2.848774 3.438558 3.617328 4.061582 13 C 2.848056 3.206026 3.438335 3.083215 3.507872 14 C 2.314428 3.024885 3.862662 3.028363 2.527427 15 C 2.878016 3.200341 4.709692 3.987169 2.896380 16 H 3.956571 3.492973 5.547801 5.234017 4.092291 17 H 3.766945 2.720187 4.286031 4.623799 4.480601 18 H 3.327909 2.790720 2.832941 3.423695 4.335832 19 H 2.791083 3.328663 2.833248 2.507975 3.527012 20 H 2.718071 3.765937 4.284379 3.184624 2.630592 21 H 3.491853 3.956556 5.547296 4.655759 3.170335 22 H 4.284946 3.897708 4.434865 4.672125 5.091785 23 H 3.896700 4.284983 4.435050 4.072471 4.447441 6 7 8 9 10 6 H 0.000000 7 H 3.937551 0.000000 8 O 2.081996 2.073812 0.000000 9 H 3.850558 1.800054 2.072093 0.000000 10 C 2.896084 4.901495 3.987615 5.723719 0.000000 11 C 2.528076 3.925101 3.030052 4.879988 1.386533 12 C 3.507258 3.093962 3.083428 4.506981 2.517003 13 C 4.060803 3.093836 3.617102 4.506792 2.920206 14 C 3.704358 3.923953 3.928865 4.878412 2.400883 15 C 3.488749 4.901285 4.373830 5.723374 1.407756 16 H 3.170329 5.837151 4.656402 6.499768 1.088306 17 H 2.631132 4.368383 3.186467 5.195342 2.140827 18 H 3.525543 2.350966 2.507343 3.809480 3.382288 19 H 4.335997 2.351074 3.424023 3.809818 3.843659 20 H 4.479317 4.367115 4.622409 5.193624 3.386152 21 H 4.091561 5.836815 5.233646 6.499213 2.165184 22 H 4.447249 3.937338 4.072595 5.474942 2.989379 23 H 5.090660 3.937886 4.672152 5.475216 3.484751 11 12 13 14 15 11 C 0.000000 12 C 1.515066 0.000000 13 C 2.558823 1.558178 0.000000 14 C 2.729050 2.558961 1.515172 0.000000 15 C 2.400994 2.920518 2.516875 1.386675 0.000000 16 H 2.151438 3.490485 4.007480 3.379468 2.165166 17 H 1.089066 2.214548 3.538715 3.811688 3.386226 18 H 2.145582 1.095561 2.211022 3.325895 3.843458 19 H 3.326477 2.210979 1.095536 2.145663 3.382534 20 H 3.811816 3.538758 2.214504 1.089075 2.140864 21 H 3.379563 4.007782 3.490389 2.151644 1.088292 22 H 2.124803 1.098899 2.183148 3.278807 3.486056 23 H 3.277814 2.183154 1.098878 2.124747 2.988240 16 17 18 19 20 16 H 0.000000 17 H 2.468790 0.000000 18 H 4.285342 2.487471 0.000000 19 H 4.925203 4.214648 2.367059 0.000000 20 H 4.273623 4.889385 4.214076 2.487419 0.000000 21 H 2.488777 4.273645 4.924949 4.285607 2.468965 22 H 3.845279 2.574280 1.748709 2.908899 4.218468 23 H 4.523200 4.217813 2.909683 1.748745 2.574018 21 22 23 21 H 0.000000 22 H 4.524591 0.000000 23 H 3.844120 2.283818 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 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100698 1.0127064 0.9486475 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.433098645619 1.314164225518 -1.833300846375 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 -1.433098645619 1.314164225518 -1.833300846375 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 -1.433098645619 1.314164225518 -1.833300846375 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.433098645619 1.314164225518 -1.833300846375 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.433733383872 -1.311073553956 -1.836186458180 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 -1.433733383872 -1.311073553956 -1.836186458180 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 -1.433733383872 -1.311073553956 -1.836186458180 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.433733383872 -1.311073553956 -1.836186458180 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -4.543529173753 -0.001230920373 0.790916480936 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -4.543529173753 -0.001230920373 0.790916480936 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -4.543529173753 -0.001230920373 0.790916480936 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -4.543529173753 -0.001230920373 0.790916480936 0.8000000000D+00 0.1000000000D+01 Atom O4 Shell 13 S 6 bf 46 - 46 -3.431758109740 2.169163095766 -0.348697981309 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 O4 Shell 14 SP 3 bf 47 - 50 -3.431758109740 2.169163095766 -0.348697981309 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 O4 Shell 15 SP 1 bf 51 - 54 -3.431758109740 2.169163095766 -0.348697981309 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O4 Shell 16 D 1 bf 55 - 60 -3.431758109740 2.169163095766 -0.348697981309 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 -0.957787267982 2.543497253346 -3.384847259698 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 -0.957787267982 2.543497253346 -3.384847259698 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 -0.955587220776 -2.538376939747 -3.388326245508 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 -0.955587220776 -2.538376939747 -3.388326245508 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 -4.158561724705 -0.003247227402 2.831076152357 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 -4.158561724705 -0.003247227402 2.831076152357 0.1612777588D+00 0.1000000000D+01 Atom O8 Shell 23 S 6 bf 67 - 67 -3.431209742557 -2.169400551172 -0.352759002769 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 O8 Shell 24 SP 3 bf 68 - 71 -3.431209742557 -2.169400551172 -0.352759002769 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 O8 Shell 25 SP 1 bf 72 - 75 -3.431209742557 -2.169400551172 -0.352759002769 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O8 Shell 26 D 1 bf 76 - 81 -3.431209742557 -2.169400551172 -0.352759002769 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 -6.590752641453 -0.001291555160 0.452971087414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 -6.590752641453 -0.001291555160 0.452971087414 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 3.987152009812 -1.328008846489 -1.374390303634 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C10 Shell 30 SP 3 bf 85 - 88 3.987152009812 -1.328008846489 -1.374390303634 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C10 Shell 31 SP 1 bf 89 - 92 3.987152009812 -1.328008846489 -1.374390303634 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 3.987152009812 -1.328008846489 -1.374390303634 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 2.258279465272 -2.578667533874 0.146177829192 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 C11 Shell 34 SP 3 bf 100 - 103 2.258279465272 -2.578667533874 0.146177829192 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 C11 Shell 35 SP 1 bf 104 - 107 2.258279465272 -2.578667533874 0.146177829192 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 2.258279465272 -2.578667533874 0.146177829192 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 1.497874368188 -1.474661241898 2.676012784796 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C12 Shell 38 SP 3 bf 115 - 118 1.497874368188 -1.474661241898 2.676012784796 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C12 Shell 39 SP 1 bf 119 - 122 1.497874368188 -1.474661241898 2.676012784796 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 1.497874368188 -1.474661241898 2.676012784796 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 1.497250523328 1.469866554614 2.678374942463 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 42 SP 3 bf 130 - 133 1.497250523328 1.469866554614 2.678374942463 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 43 SP 1 bf 134 - 137 1.497250523328 1.469866554614 2.678374942463 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 1.497250523328 1.469866554614 2.678374942463 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 2.254586528407 2.578487679057 0.149411150606 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C14 Shell 46 SP 3 bf 145 - 148 2.254586528407 2.578487679057 0.149411150606 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C14 Shell 47 SP 1 bf 149 - 152 2.254586528407 2.578487679057 0.149411150606 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 2.254586528407 2.578487679057 0.149411150606 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 3.985968828726 1.332262565617 -1.372406091195 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 50 SP 3 bf 160 - 163 3.985968828726 1.332262565617 -1.372406091195 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 51 SP 1 bf 164 - 167 3.985968828726 1.332262565617 -1.372406091195 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 3.985968828726 1.332262565617 -1.372406091195 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 5.007303736589 -2.347842936303 -2.840279210805 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 54 S 1 bf 175 - 175 5.007303736589 -2.347842936303 -2.840279210805 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 2.059571146007 -4.619756966426 -0.026979666090 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 56 S 1 bf 177 - 177 2.059571146007 -4.619756966426 -0.026979666090 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 -0.341651128849 -2.239824728144 3.238914956630 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 -0.341651128849 -2.239824728144 3.238914956630 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 -0.341972739643 2.233264742760 3.244474530913 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 -0.341972739643 2.233264742760 3.244474530913 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 2.054866879519 4.619837861985 -0.019651308147 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 2.054866879519 4.619837861985 -0.019651308147 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 5.005179308689 2.355262109626 -2.836707628414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 5.005179308689 2.355262109626 -2.836707628414 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 2.848934121735 -2.161123048995 4.095782925695 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 2.848934121735 -2.161123048995 4.095782925695 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 2.849697226308 2.154667508421 4.097570606617 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 2.849697226308 2.154667508421 4.097570606617 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 650.5283742371 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488668922 A.U. after 15 cycles NFock= 15 Conv=0.81D-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= 1.51D-01 2.24D-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= 3.29D-02 4.73D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.99D-04 2.12D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 1.13D-06 1.35D-04. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.90D-09 4.70D-06. 48 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 1.72D-12 1.36D-07. 3 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 1.26D-15 3.15D-09. InvSVY: IOpt=1 It= 1 EMax= 7.22D-16 Solved reduced A of dimension 381 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 -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38415 -0.37327 -0.35526 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 Alpha occ. eigenvalues -- -0.18559 Alpha virt. eigenvalues -- -0.00698 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12248 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17145 0.17765 0.19270 0.19776 Alpha virt. eigenvalues -- 0.20300 0.22884 0.23612 0.24271 0.24912 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50829 0.52317 Alpha virt. eigenvalues -- 0.54652 0.54788 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60744 0.61336 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71284 0.72293 0.74095 0.75191 Alpha virt. eigenvalues -- 0.77536 0.79576 0.79877 0.81068 0.82848 Alpha virt. eigenvalues -- 0.84204 0.85443 0.86451 0.88061 0.88446 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91382 0.93717 Alpha virt. eigenvalues -- 0.94029 0.95122 1.00794 1.01440 1.02297 Alpha virt. eigenvalues -- 1.02721 1.09206 1.09919 1.11415 1.14920 Alpha virt. eigenvalues -- 1.15183 1.18942 1.20406 1.25129 1.26441 Alpha virt. eigenvalues -- 1.36726 1.37043 1.39833 1.42713 1.43216 Alpha virt. eigenvalues -- 1.43858 1.47573 1.49205 1.52643 1.58529 Alpha virt. eigenvalues -- 1.63998 1.66107 1.72043 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79420 1.86000 1.87776 1.88533 Alpha virt. eigenvalues -- 1.90842 1.93559 1.95825 1.97651 1.97837 Alpha virt. eigenvalues -- 1.98103 2.00055 2.01937 2.04156 2.08888 Alpha virt. eigenvalues -- 2.12024 2.14080 2.16027 2.23008 2.25487 Alpha virt. eigenvalues -- 2.26205 2.27983 2.29195 2.30956 2.31854 Alpha virt. eigenvalues -- 2.37118 2.40151 2.43437 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52229 2.54539 2.59889 2.62740 Alpha virt. eigenvalues -- 2.64517 2.67570 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76595 2.80387 2.86686 2.87993 2.94456 Alpha virt. eigenvalues -- 3.10579 3.13118 4.00625 4.10573 4.12767 Alpha virt. eigenvalues -- 4.25201 4.26810 4.36205 4.37019 4.44856 Alpha virt. eigenvalues -- 4.48935 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00001 0.00001 -0.00012 0.69473 0.70959 2 2S 0.00005 0.00031 -0.00038 0.03423 0.03596 3 2PX 0.00005 -0.00026 -0.00006 -0.00040 -0.00036 4 2PY 0.00002 0.00015 0.00014 0.00024 -0.00010 5 2PZ -0.00004 0.00020 0.00002 0.00060 0.00067 6 3S 0.00032 -0.00224 0.00089 -0.00697 -0.01907 7 3PX -0.00042 0.00102 -0.00066 -0.00005 0.00024 8 3PY -0.00004 -0.00064 -0.00057 -0.00052 0.00480 9 3PZ 0.00045 -0.00086 0.00080 -0.00078 -0.00265 10 4XX -0.00004 0.00012 0.00007 -0.00633 -0.00618 11 4YY -0.00011 0.00010 -0.00003 -0.00639 -0.00596 12 4ZZ -0.00004 0.00005 -0.00003 -0.00628 -0.00611 13 4XY -0.00002 -0.00008 0.00004 -0.00009 0.00002 14 4XZ 0.00002 -0.00007 -0.00018 -0.00019 -0.00019 15 4YZ 0.00003 0.00007 0.00000 -0.00007 -0.00001 16 2 C 1S 0.00001 -0.00001 -0.00012 0.70926 -0.69508 17 2S 0.00030 0.00007 -0.00038 0.03497 -0.03524 18 2PX -0.00026 0.00004 -0.00006 -0.00041 0.00035 19 2PY -0.00015 -0.00002 -0.00014 -0.00024 -0.00010 20 2PZ 0.00021 -0.00003 0.00002 0.00061 -0.00066 21 3S -0.00225 0.00022 0.00089 -0.00734 0.01891 22 3PX 0.00104 -0.00037 -0.00066 -0.00005 -0.00024 23 3PY 0.00064 0.00007 0.00057 0.00043 0.00481 24 3PZ -0.00088 0.00041 0.00081 -0.00083 0.00264 25 4XX 0.00012 -0.00003 0.00007 -0.00645 0.00605 26 4YY 0.00010 -0.00011 -0.00003 -0.00651 0.00583 27 4ZZ 0.00006 -0.00003 -0.00003 -0.00641 0.00598 28 4XY 0.00008 0.00002 -0.00004 0.00009 0.00002 29 4XZ -0.00007 0.00001 -0.00018 -0.00019 0.00019 30 4YZ -0.00007 -0.00003 0.00000 0.00007 -0.00001 31 3 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 32 2S 0.00024 0.00025 0.04864 -0.00058 -0.00001 33 2PX 0.00011 0.00012 0.00077 0.00008 0.00000 34 2PY -0.00030 0.00029 0.00000 0.00000 -0.00008 35 2PZ -0.00014 -0.00015 -0.00067 -0.00010 0.00000 36 3S -0.00197 -0.00207 -0.01350 0.00274 0.00003 37 3PX -0.00029 -0.00031 -0.00060 0.00136 0.00001 38 3PY 0.00082 -0.00079 0.00000 0.00000 -0.00025 39 3PZ 0.00040 0.00042 -0.00001 -0.00099 -0.00001 40 4XX 0.00006 0.00006 -0.00875 0.00007 0.00000 41 4YY 0.00027 0.00028 -0.00875 0.00003 0.00000 42 4ZZ 0.00007 0.00007 -0.00878 0.00002 0.00000 43 4XY -0.00010 0.00009 0.00000 0.00000 0.00002 44 4XZ -0.00007 -0.00007 -0.00006 -0.00025 0.00000 45 4YZ 0.00012 -0.00011 0.00000 0.00000 -0.00003 46 4 O 1S -0.02240 0.99245 -0.00007 -0.00003 -0.00014 47 2S -0.00052 0.02573 0.00001 0.00009 -0.00035 48 2PX -0.00001 0.00026 0.00009 -0.00008 -0.00006 49 2PY 0.00004 -0.00088 0.00000 -0.00004 0.00003 50 2PZ 0.00002 -0.00010 -0.00006 0.00006 0.00002 51 3S -0.00049 0.01319 0.00114 -0.00003 0.00352 52 3PX -0.00012 0.00035 -0.00053 0.00028 0.00045 53 3PY -0.00009 -0.00038 0.00039 0.00073 -0.00031 54 3PZ 0.00001 -0.00015 0.00039 -0.00014 0.00007 55 4XX 0.00021 -0.00822 -0.00010 -0.00015 -0.00039 56 4YY 0.00015 -0.00830 -0.00050 -0.00003 -0.00038 57 4ZZ 0.00021 -0.00822 -0.00002 -0.00008 -0.00034 58 4XY 0.00001 -0.00001 -0.00016 0.00009 0.00017 59 4XZ 0.00002 0.00004 0.00020 0.00031 0.00038 60 4YZ 0.00000 0.00002 0.00020 -0.00004 -0.00013 61 5 H 1S 0.00005 0.00011 0.00006 -0.00026 -0.00012 62 2S 0.00011 0.00004 0.00039 0.00139 0.00072 63 6 H 1S 0.00010 0.00005 0.00006 -0.00026 0.00012 64 2S 0.00003 0.00012 0.00039 0.00140 -0.00069 65 7 H 1S 0.00008 0.00008 -0.00007 -0.00013 0.00000 66 2S 0.00012 0.00012 0.00276 -0.00005 0.00000 67 8 O 1S 0.99245 0.02241 -0.00007 -0.00004 0.00014 68 2S 0.02573 0.00065 0.00001 0.00009 0.00035 69 2PX 0.00026 0.00000 0.00009 -0.00008 0.00006 70 2PY 0.00088 0.00000 0.00000 0.00004 0.00004 71 2PZ -0.00010 0.00002 -0.00006 0.00006 -0.00002 72 3S 0.01320 0.00011 0.00114 0.00004 -0.00351 73 3PX 0.00036 -0.00010 -0.00053 0.00028 -0.00045 74 3PY 0.00038 0.00010 -0.00039 -0.00072 -0.00032 75 3PZ -0.00015 0.00000 0.00039 -0.00014 -0.00008 76 4XX -0.00822 -0.00016 -0.00010 -0.00016 0.00038 77 4YY -0.00830 -0.00023 -0.00050 -0.00004 0.00038 78 4ZZ -0.00822 -0.00017 -0.00002 -0.00008 0.00034 79 4XY 0.00001 -0.00001 0.00016 -0.00010 0.00017 80 4XZ 0.00004 0.00002 0.00020 0.00032 -0.00037 81 4YZ -0.00002 0.00000 -0.00020 0.00005 -0.00013 82 9 H 1S 0.00012 0.00013 -0.00018 -0.00007 0.00000 83 2S 0.00009 0.00010 0.00240 0.00015 0.00000 84 10 C 1S 0.00002 0.00000 -0.00002 -0.00009 0.00004 85 2S 0.00011 -0.00002 -0.00007 -0.00010 0.00006 86 2PX -0.00001 0.00000 0.00002 0.00007 -0.00005 87 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 88 2PZ -0.00002 -0.00001 0.00001 0.00003 0.00001 89 3S -0.00111 0.00037 0.00019 0.00039 0.00111 90 3PX 0.00043 -0.00016 -0.00024 0.00003 -0.00054 91 3PY -0.00010 0.00025 0.00025 -0.00018 0.00035 92 3PZ -0.00024 0.00015 0.00019 -0.00007 0.00056 93 4XX 0.00001 0.00000 -0.00001 -0.00007 0.00003 94 4YY 0.00002 0.00000 -0.00003 -0.00006 0.00005 95 4ZZ 0.00004 0.00000 -0.00003 -0.00007 0.00004 96 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 97 4XZ 0.00002 0.00000 -0.00002 0.00000 0.00001 98 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 99 11 C 1S -0.00002 0.00001 0.00004 -0.00011 0.00022 100 2S -0.00015 0.00003 0.00012 -0.00042 0.00084 101 2PX -0.00002 -0.00002 -0.00003 0.00010 -0.00008 102 2PY 0.00000 0.00000 0.00006 -0.00009 0.00015 103 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 104 3S 0.00108 -0.00038 -0.00079 0.00152 -0.00367 105 3PX 0.00008 0.00010 0.00019 -0.00091 0.00075 106 3PY 0.00044 -0.00022 -0.00067 0.00038 -0.00136 107 3PZ -0.00015 -0.00018 -0.00037 0.00000 0.00002 108 4XX 0.00003 0.00000 0.00004 -0.00005 0.00013 109 4YY -0.00002 0.00000 0.00004 -0.00020 0.00028 110 4ZZ -0.00001 0.00001 0.00003 -0.00013 0.00020 111 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 112 4XZ -0.00001 0.00001 0.00003 0.00009 -0.00011 113 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 114 12 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 115 2S -0.00002 -0.00006 -0.00005 -0.00012 0.00029 116 2PX -0.00002 0.00002 0.00006 0.00013 -0.00015 117 2PY 0.00000 -0.00001 -0.00004 -0.00004 -0.00001 118 2PZ -0.00003 0.00000 0.00000 0.00021 -0.00027 119 3S -0.00004 0.00049 0.00051 -0.00023 -0.00029 120 3PX -0.00011 -0.00005 -0.00001 -0.00055 0.00140 121 3PY -0.00019 0.00007 -0.00001 0.00020 -0.00084 122 3PZ 0.00039 -0.00025 -0.00041 -0.00027 0.00056 123 4XX 0.00002 -0.00002 -0.00003 -0.00006 0.00011 124 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 125 4ZZ -0.00002 -0.00002 0.00002 -0.00011 0.00016 126 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 127 4XZ 0.00003 -0.00001 -0.00003 -0.00001 0.00003 128 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00003 129 13 C 1S -0.00001 0.00000 -0.00002 -0.00010 -0.00014 130 2S -0.00006 -0.00002 -0.00005 -0.00012 -0.00029 131 2PX 0.00002 -0.00002 0.00006 0.00013 0.00015 132 2PY 0.00001 0.00000 0.00004 0.00004 -0.00001 133 2PZ 0.00000 -0.00003 0.00000 0.00020 0.00028 134 3S 0.00050 -0.00001 0.00051 -0.00024 0.00028 135 3PX -0.00005 -0.00011 -0.00002 -0.00053 -0.00141 136 3PY -0.00008 0.00018 0.00001 -0.00018 -0.00084 137 3PZ -0.00027 0.00037 -0.00042 -0.00026 -0.00057 138 4XX -0.00002 0.00002 -0.00003 -0.00006 -0.00011 139 4YY -0.00001 -0.00001 -0.00002 -0.00010 -0.00010 140 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00017 141 4XY 0.00000 0.00000 -0.00002 -0.00002 0.00005 142 4XZ -0.00001 0.00003 -0.00003 -0.00001 -0.00003 143 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 144 14 C 1S 0.00001 -0.00002 0.00004 -0.00010 -0.00023 145 2S 0.00004 -0.00015 0.00012 -0.00040 -0.00085 146 2PX -0.00002 -0.00002 -0.00003 0.00010 0.00008 147 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 148 2PZ 0.00001 0.00001 0.00003 -0.00002 -0.00010 149 3S -0.00043 0.00106 -0.00080 0.00145 0.00370 150 3PX 0.00010 0.00008 0.00019 -0.00090 -0.00077 151 3PY 0.00024 -0.00043 0.00067 -0.00035 -0.00137 152 3PZ -0.00017 -0.00016 -0.00037 0.00000 -0.00002 153 4XX 0.00000 0.00003 0.00004 -0.00005 -0.00013 154 4YY 0.00000 -0.00002 0.00004 -0.00019 -0.00028 155 4ZZ 0.00001 -0.00001 0.00003 -0.00012 -0.00020 156 4XY -0.00001 -0.00002 -0.00002 0.00007 0.00010 157 4XZ 0.00001 -0.00001 0.00003 0.00009 0.00012 158 4YZ 0.00001 0.00000 0.00002 0.00003 0.00005 159 15 C 1S 0.00000 0.00002 -0.00002 -0.00008 -0.00004 160 2S -0.00003 0.00011 -0.00007 -0.00010 -0.00006 161 2PX 0.00000 -0.00001 0.00002 0.00007 0.00005 162 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 163 2PZ -0.00001 -0.00002 0.00001 0.00003 -0.00001 164 3S 0.00042 -0.00109 0.00019 0.00042 -0.00109 165 3PX -0.00018 0.00043 -0.00024 0.00001 0.00054 166 3PY -0.00025 0.00009 -0.00025 0.00017 0.00036 167 3PZ 0.00016 -0.00024 0.00019 -0.00006 -0.00056 168 4XX 0.00000 0.00001 -0.00001 -0.00006 -0.00003 169 4YY 0.00000 0.00002 -0.00003 -0.00006 -0.00005 170 4ZZ 0.00000 0.00004 -0.00003 -0.00007 -0.00004 171 4XY 0.00001 0.00000 0.00001 -0.00002 -0.00001 172 4XZ 0.00000 0.00002 -0.00002 0.00000 -0.00001 173 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00006 174 16 H 1S 0.00002 0.00001 0.00003 0.00001 0.00002 175 2S -0.00006 0.00008 0.00012 -0.00020 0.00028 176 17 H 1S -0.00001 0.00000 -0.00002 -0.00006 0.00005 177 2S 0.00009 -0.00005 -0.00025 -0.00007 -0.00001 178 18 H 1S 0.00009 -0.00003 -0.00007 -0.00005 0.00018 179 2S -0.00045 -0.00002 0.00011 -0.00027 0.00023 180 19 H 1S -0.00004 0.00009 -0.00007 -0.00004 -0.00018 181 2S 0.00000 -0.00045 0.00010 -0.00027 -0.00023 182 20 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 183 2S -0.00005 0.00009 -0.00025 -0.00007 0.00000 184 21 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 185 2S 0.00008 -0.00006 0.00012 -0.00020 -0.00028 186 22 H 1S -0.00003 0.00000 0.00001 0.00005 -0.00013 187 2S -0.00011 0.00006 0.00012 0.00050 -0.00082 188 23 H 1S 0.00000 -0.00003 0.00001 0.00005 0.00013 189 2S 0.00006 -0.00011 0.00012 0.00048 0.00083 6 7 8 9 10 O O O O O Eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 1 1 C 1S -0.00022 0.00001 0.00002 -0.00002 0.00002 2 2S -0.00139 0.00017 -0.00013 -0.00039 -0.00005 3 2PX -0.00022 0.00002 -0.00004 -0.00004 -0.00014 4 2PY -0.00005 0.00008 0.00016 -0.00001 0.00000 5 2PZ -0.00007 0.00001 -0.00015 -0.00021 -0.00001 6 3S 0.00917 -0.00270 0.00020 0.00368 -0.00011 7 3PX 0.00105 -0.00003 -0.00032 -0.00112 0.00074 8 3PY -0.00139 0.00153 -0.00047 -0.00202 -0.00016 9 3PZ 0.00305 -0.00108 0.00078 0.00243 -0.00034 10 4XX -0.00005 0.00000 -0.00012 -0.00012 -0.00014 11 4YY -0.00030 -0.00001 -0.00008 -0.00005 -0.00006 12 4ZZ -0.00029 -0.00001 -0.00008 -0.00012 -0.00013 13 4XY -0.00001 0.00008 -0.00002 -0.00005 0.00006 14 4XZ 0.00006 0.00004 -0.00005 -0.00010 0.00008 15 4YZ 0.00000 0.00007 0.00006 -0.00004 -0.00006 16 2 C 1S 0.00011 -0.00019 0.00002 0.00002 0.00002 17 2S 0.00079 -0.00116 -0.00014 0.00039 -0.00004 18 2PX 0.00012 -0.00019 -0.00004 0.00004 -0.00015 19 2PY -0.00010 0.00001 -0.00016 -0.00001 0.00001 20 2PZ 0.00004 -0.00006 -0.00016 0.00021 0.00000 21 3S -0.00662 0.00690 0.00028 -0.00367 -0.00017 22 3PX -0.00051 0.00091 -0.00035 0.00111 0.00086 23 3PY -0.00199 0.00053 0.00051 -0.00200 0.00015 24 3PZ -0.00236 0.00221 0.00083 -0.00241 -0.00043 25 4XX 0.00003 -0.00005 -0.00012 0.00011 -0.00015 26 4YY 0.00013 -0.00027 -0.00008 0.00005 -0.00007 27 4ZZ 0.00012 -0.00026 -0.00009 0.00012 -0.00013 28 4XY -0.00008 -0.00003 0.00002 -0.00005 -0.00005 29 4XZ 0.00001 0.00007 -0.00005 0.00009 0.00008 30 4YZ -0.00006 -0.00003 -0.00005 -0.00004 0.00006 31 3 C 1S 0.00001 0.00002 0.00000 0.00000 -0.00001 32 2S 0.00009 0.00015 -0.00003 0.00000 -0.00008 33 2PX 0.00005 0.00009 -0.00002 0.00000 0.00000 34 2PY 0.00010 -0.00006 0.00000 0.00002 0.00000 35 2PZ 0.00003 0.00005 -0.00010 0.00000 0.00003 36 3S -0.00045 -0.00074 0.00104 0.00001 0.00030 37 3PX -0.00034 -0.00055 0.00041 0.00001 0.00000 38 3PY -0.00021 0.00013 0.00000 -0.00026 0.00000 39 3PZ -0.00010 -0.00016 0.00032 0.00000 -0.00006 40 4XX 0.00003 0.00006 -0.00007 0.00000 -0.00002 41 4YY 0.00001 0.00001 0.00003 0.00000 0.00001 42 4ZZ 0.00003 0.00005 -0.00001 0.00000 -0.00004 43 4XY 0.00004 -0.00002 0.00000 -0.00003 0.00000 44 4XZ 0.00001 0.00002 -0.00001 0.00000 0.00000 45 4YZ 0.00004 -0.00002 0.00000 0.00002 0.00000 46 4 O 1S 0.00010 -0.00003 0.00006 0.00003 -0.00004 47 2S 0.00050 -0.00015 0.00028 0.00016 -0.00018 48 2PX 0.00008 -0.00001 0.00001 -0.00002 0.00000 49 2PY -0.00002 0.00001 -0.00002 0.00003 0.00001 50 2PZ 0.00000 -0.00003 0.00002 0.00000 0.00003 51 3S -0.00302 0.00097 -0.00148 -0.00147 0.00096 52 3PX -0.00136 0.00027 -0.00022 -0.00053 0.00027 53 3PY 0.00036 -0.00033 0.00044 0.00020 -0.00015 54 3PZ 0.00032 0.00011 -0.00015 0.00022 -0.00030 55 4XX 0.00011 -0.00004 0.00016 -0.00001 -0.00008 56 4YY 0.00032 -0.00008 0.00011 0.00007 -0.00011 57 4ZZ 0.00037 -0.00007 0.00018 0.00006 -0.00009 58 4XY 0.00006 -0.00003 0.00004 0.00004 -0.00004 59 4XZ 0.00002 0.00001 0.00000 -0.00002 -0.00005 60 4YZ 0.00001 0.00001 0.00001 -0.00004 0.00004 61 5 H 1S -0.00026 -0.00001 0.00008 0.00014 -0.00010 62 2S 0.00019 -0.00044 0.00056 0.00119 -0.00006 63 6 H 1S 0.00011 -0.00024 0.00008 -0.00014 -0.00012 64 2S -0.00048 -0.00003 0.00059 -0.00117 -0.00008 65 7 H 1S 0.00005 0.00008 -0.00004 0.00000 0.00001 66 2S 0.00016 0.00027 -0.00076 -0.00001 -0.00006 67 8 O 1S -0.00007 0.00008 0.00006 -0.00002 -0.00004 68 2S -0.00036 0.00038 0.00028 -0.00016 -0.00020 69 2PX -0.00004 0.00007 0.00001 0.00002 0.00000 70 2PY -0.00002 0.00001 0.00002 0.00003 -0.00001 71 2PZ -0.00003 -0.00001 0.00002 0.00001 0.00003 72 3S 0.00224 -0.00224 -0.00151 0.00144 0.00109 73 3PX 0.00087 -0.00109 -0.00024 0.00052 0.00031 74 3PY 0.00046 -0.00017 -0.00044 0.00019 0.00016 75 3PZ -0.00005 0.00034 -0.00014 -0.00022 -0.00033 76 4XX -0.00009 0.00008 0.00016 0.00001 -0.00008 77 4YY -0.00022 0.00025 0.00011 -0.00007 -0.00012 78 4ZZ -0.00024 0.00030 0.00019 -0.00006 -0.00010 79 4XY 0.00005 -0.00004 -0.00004 0.00004 0.00004 80 4XZ -0.00001 0.00002 0.00000 0.00002 -0.00006 81 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 82 9 H 1S -0.00001 -0.00002 -0.00002 0.00000 -0.00001 83 2S -0.00013 -0.00022 0.00013 0.00000 -0.00005 84 10 C 1S -0.00378 0.01649 -0.00069 0.00056 0.72649 85 2S 0.00003 0.00021 -0.00022 0.00022 0.03610 86 2PX 0.00007 0.00011 0.00005 -0.00008 -0.00025 87 2PY -0.00009 0.00013 -0.00007 -0.00004 -0.00013 88 2PZ 0.00003 -0.00020 -0.00011 0.00007 -0.00001 89 3S -0.00748 0.00836 0.00052 -0.00041 -0.00823 90 3PX 0.00282 -0.00310 -0.00035 0.00050 0.00101 91 3PY -0.00113 0.00019 -0.00003 0.00006 0.00055 92 3PZ -0.00311 0.00318 0.00033 -0.00030 -0.00048 93 4XX 0.00007 -0.00031 -0.00008 0.00004 -0.00694 94 4YY 0.00015 -0.00034 -0.00002 0.00003 -0.00698 95 4ZZ 0.00007 -0.00035 -0.00004 0.00003 -0.00687 96 4XY 0.00002 -0.00016 0.00007 -0.00002 0.00001 97 4XZ -0.00002 0.00004 -0.00005 0.00004 -0.00011 98 4YZ -0.00003 0.00012 0.00000 -0.00005 0.00001 99 11 C 1S -0.23539 0.96455 -0.01420 0.01372 -0.01281 100 2S -0.01293 0.04899 -0.00084 0.00072 -0.00086 101 2PX 0.00021 -0.00026 0.00001 0.00004 -0.00019 102 2PY -0.00039 0.00037 -0.00005 -0.00002 -0.00009 103 2PZ -0.00004 0.00002 -0.00011 -0.00009 0.00010 104 3S 0.01235 -0.02218 0.00290 -0.00388 0.00267 105 3PX 0.00042 -0.00003 -0.00062 0.00047 0.00096 106 3PY 0.00511 -0.00442 0.00039 -0.00096 0.00067 107 3PZ 0.00032 -0.00026 0.00170 -0.00176 -0.00085 108 4XX 0.00177 -0.00857 -0.00001 -0.00007 -0.00002 109 4YY 0.00178 -0.00835 0.00008 -0.00004 0.00009 110 4ZZ 0.00184 -0.00854 -0.00013 0.00010 0.00000 111 4XY 0.00001 0.00010 0.00003 -0.00006 -0.00003 112 4XZ -0.00005 -0.00016 0.00004 -0.00002 0.00008 113 4YZ 0.00001 -0.00005 -0.00006 0.00003 0.00002 114 12 C 1S -0.00452 0.01901 0.70970 -0.69442 0.00038 115 2S -0.00003 0.00061 0.03569 -0.03563 -0.00015 116 2PX 0.00007 -0.00009 -0.00001 0.00002 -0.00011 117 2PY -0.00006 0.00004 -0.00002 -0.00003 -0.00004 118 2PZ 0.00022 -0.00007 -0.00015 0.00019 0.00004 119 3S -0.00501 0.00629 -0.01090 0.01961 0.00033 120 3PX -0.00162 0.00144 0.00002 0.00000 0.00038 121 3PY -0.00053 -0.00015 0.00117 0.00269 -0.00001 122 3PZ 0.00192 -0.00266 0.00088 -0.00191 -0.00019 123 4XX 0.00001 -0.00028 -0.00634 0.00594 -0.00007 124 4YY 0.00005 -0.00032 -0.00670 0.00590 -0.00005 125 4ZZ -0.00001 -0.00038 -0.00643 0.00604 0.00000 126 4XY -0.00002 0.00005 0.00000 0.00000 0.00000 127 4XZ -0.00003 0.00009 0.00003 -0.00004 -0.00004 128 4YZ 0.00005 -0.00022 -0.00005 -0.00005 0.00002 129 13 C 1S 0.01880 0.00470 0.69417 0.70995 0.00036 130 2S 0.00055 0.00025 0.03490 0.03641 -0.00014 131 2PX -0.00011 0.00002 -0.00001 -0.00002 -0.00010 132 2PY -0.00007 0.00003 0.00003 -0.00003 0.00004 133 2PZ -0.00016 0.00016 -0.00014 -0.00020 0.00004 134 3S 0.00789 -0.00155 -0.01046 -0.01984 0.00036 135 3PX 0.00202 -0.00078 0.00002 0.00000 0.00036 136 3PY -0.00010 0.00054 -0.00124 0.00266 0.00002 137 3PZ -0.00325 0.00048 0.00083 0.00193 -0.00019 138 4XX -0.00025 -0.00012 -0.00621 -0.00608 -0.00007 139 4YY -0.00031 -0.00010 -0.00657 -0.00605 -0.00005 140 4ZZ -0.00033 -0.00018 -0.00630 -0.00618 0.00000 141 4XY -0.00006 0.00000 0.00001 0.00000 0.00001 142 4XZ 0.00009 0.00001 0.00003 0.00004 -0.00003 143 4YZ 0.00022 0.00006 0.00006 -0.00005 -0.00002 144 14 C 1S 0.96466 0.23497 -0.01378 -0.01392 -0.01188 145 2S 0.04944 0.01107 -0.00082 -0.00073 -0.00080 146 2PX -0.00032 0.00007 0.00001 -0.00004 -0.00018 147 2PY -0.00051 0.00018 0.00005 -0.00002 0.00009 148 2PZ 0.00004 -0.00003 -0.00012 0.00008 0.00010 149 3S -0.02539 0.00075 0.00281 0.00394 0.00234 150 3PX -0.00023 0.00036 -0.00060 -0.00048 0.00089 151 3PY 0.00627 -0.00250 -0.00037 -0.00097 -0.00054 152 3PZ -0.00037 0.00017 0.00165 0.00179 -0.00081 153 4XX -0.00842 -0.00238 -0.00001 0.00007 -0.00001 154 4YY -0.00823 -0.00226 0.00008 0.00004 0.00010 155 4ZZ -0.00842 -0.00229 -0.00013 -0.00010 0.00000 156 4XY -0.00008 -0.00006 -0.00003 -0.00007 0.00003 157 4XZ -0.00012 -0.00011 0.00004 0.00002 0.00007 158 4YZ 0.00005 0.00001 0.00006 0.00003 -0.00001 159 15 C 1S 0.01629 0.00422 -0.00067 -0.00057 0.67620 160 2S 0.00017 0.00012 -0.00022 -0.00022 0.03355 161 2PX 0.00006 0.00011 0.00005 0.00008 -0.00023 162 2PY -0.00016 0.00002 0.00007 -0.00004 0.00015 163 2PZ -0.00019 -0.00007 -0.00010 -0.00007 -0.00002 164 3S 0.01086 -0.00280 0.00052 0.00042 -0.00701 165 3PX -0.00405 0.00108 -0.00034 -0.00051 0.00083 166 3PY -0.00070 0.00092 0.00002 0.00006 -0.00079 167 3PZ 0.00425 -0.00130 0.00032 0.00031 -0.00035 168 4XX -0.00031 -0.00008 -0.00007 -0.00004 -0.00648 169 4YY -0.00037 -0.00002 -0.00002 -0.00003 -0.00654 170 4ZZ -0.00035 -0.00010 -0.00004 -0.00003 -0.00642 171 4XY 0.00015 0.00006 -0.00007 -0.00002 0.00000 172 4XZ 0.00005 0.00001 -0.00005 -0.00004 -0.00010 173 4YZ -0.00012 -0.00003 0.00000 -0.00005 -0.00001 174 16 H 1S -0.00009 -0.00003 0.00001 -0.00001 -0.00032 175 2S -0.00081 0.00085 0.00026 -0.00024 0.00137 176 17 H 1S 0.00012 -0.00021 -0.00011 0.00006 -0.00004 177 2S 0.00066 0.00157 -0.00002 0.00006 0.00009 178 18 H 1S 0.00006 -0.00015 -0.00010 -0.00031 0.00001 179 2S -0.00046 0.00040 0.00222 -0.00209 0.00032 180 19 H 1S -0.00016 -0.00002 -0.00010 0.00031 0.00001 181 2S 0.00056 -0.00022 0.00218 0.00214 0.00029 182 20 H 1S -0.00024 0.00001 -0.00011 -0.00006 -0.00004 183 2S 0.00109 0.00131 -0.00002 -0.00006 0.00008 184 21 H 1S 0.00002 -0.00009 0.00001 0.00001 -0.00030 185 2S 0.00113 -0.00033 0.00026 0.00024 0.00132 186 22 H 1S 0.00027 -0.00031 -0.00009 -0.00020 -0.00005 187 2S 0.00019 0.00005 0.00180 -0.00175 -0.00014 188 23 H 1S -0.00040 0.00010 -0.00009 0.00020 -0.00005 189 2S -0.00004 0.00019 0.00176 0.00179 -0.00013 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 1 1 C 1S 0.00001 -0.05618 -0.04410 -0.02572 -0.12240 2 2S 0.00003 0.10419 0.08668 0.05209 0.24579 3 2PX -0.00008 -0.05976 -0.06055 0.01488 -0.02209 4 2PY -0.00003 -0.00919 0.04353 -0.01418 -0.06650 5 2PZ 0.00003 0.04376 0.04458 0.00149 -0.01001 6 3S -0.00085 0.03497 -0.00909 0.03219 0.17213 7 3PX 0.00162 0.00364 0.01821 0.00320 0.00225 8 3PY 0.00011 0.00019 0.01694 -0.00195 -0.01027 9 3PZ -0.00140 -0.00405 -0.02567 -0.00106 -0.00591 10 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 11 4YY -0.00005 -0.00146 -0.00862 0.00137 0.00603 12 4ZZ -0.00006 -0.00073 0.00181 -0.00082 -0.00696 13 4XY -0.00002 -0.00224 -0.00612 -0.00011 -0.00064 14 4XZ 0.00008 -0.01130 -0.01155 0.00055 -0.00474 15 4YZ -0.00005 0.00084 0.00357 -0.00099 -0.00230 16 2 C 1S -0.00001 -0.05625 0.04406 -0.02570 -0.12240 17 2S -0.00003 0.10433 -0.08660 0.05205 0.24580 18 2PX 0.00007 -0.05983 0.06050 0.01487 -0.02200 19 2PY -0.00003 0.00904 0.04369 0.01420 0.06650 20 2PZ -0.00003 0.04389 -0.04451 0.00152 -0.00982 21 3S 0.00084 0.03493 0.00910 0.03215 0.17209 22 3PX -0.00156 0.00368 -0.01822 0.00320 0.00226 23 3PY 0.00011 -0.00023 0.01690 0.00196 0.01028 24 3PZ 0.00137 -0.00412 0.02571 -0.00107 -0.00590 25 4XX 0.00011 0.00382 -0.00643 -0.00140 -0.00970 26 4YY 0.00005 -0.00147 0.00861 0.00138 0.00604 27 4ZZ 0.00005 -0.00073 -0.00180 -0.00082 -0.00696 28 4XY -0.00002 0.00228 -0.00614 0.00011 0.00065 29 4XZ -0.00007 -0.01132 0.01154 0.00055 -0.00475 30 4YZ -0.00005 -0.00085 0.00360 0.00100 0.00233 31 3 C 1S 0.00000 -0.08320 -0.00007 0.01835 0.11738 32 2S 0.00000 0.16015 0.00013 -0.03864 -0.24499 33 2PX 0.00000 0.06130 0.00003 -0.00171 0.01011 34 2PY -0.00002 0.00002 0.12748 -0.00002 0.00003 35 2PZ 0.00000 -0.05990 0.00007 0.00671 -0.00419 36 3S 0.00001 0.02856 0.00005 -0.02225 -0.17824 37 3PX 0.00000 -0.00867 -0.00001 0.00494 0.00892 38 3PY 0.00011 -0.00001 0.00620 0.00000 0.00002 39 3PZ 0.00000 0.01226 0.00002 -0.00136 -0.00931 40 4XX 0.00000 -0.00115 -0.00001 0.00107 0.00504 41 4YY 0.00000 0.00726 0.00004 -0.00129 -0.00324 42 4ZZ 0.00000 -0.00225 -0.00003 0.00059 0.00459 43 4XY 0.00000 0.00000 0.01756 0.00000 0.00001 44 4XZ 0.00000 -0.00959 0.00001 0.00019 -0.00357 45 4YZ -0.00001 0.00002 -0.01777 0.00000 -0.00001 46 4 O 1S -0.00006 -0.13117 -0.15249 0.00884 0.01418 47 2S -0.00030 0.28394 0.33493 -0.02050 -0.03358 48 2PX -0.00002 0.02238 0.03038 0.02009 0.12266 49 2PY 0.00000 -0.08685 -0.06087 0.00856 0.03571 50 2PZ 0.00003 -0.00841 -0.01430 -0.01173 -0.10836 51 3S 0.00187 0.28814 0.35814 -0.02276 -0.03737 52 3PX 0.00053 0.00922 0.02342 0.00987 0.05543 53 3PY -0.00020 -0.05295 -0.03674 0.00480 0.01559 54 3PZ -0.00041 -0.00219 -0.01102 -0.00501 -0.04933 55 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 56 4YY -0.00019 0.00722 -0.00049 -0.00136 -0.00584 57 4ZZ -0.00016 -0.00460 -0.00388 0.00018 0.00103 58 4XY -0.00004 -0.00044 -0.00197 -0.00195 -0.01122 59 4XZ -0.00005 -0.00716 -0.00772 -0.00022 -0.00389 60 4YZ 0.00003 -0.00190 -0.00020 0.00132 0.01022 61 5 H 1S -0.00024 0.01251 0.01448 0.01509 0.06814 62 2S -0.00031 -0.00344 -0.00846 0.00254 0.01259 63 6 H 1S 0.00023 0.01252 -0.01446 0.01509 0.06812 64 2S 0.00031 -0.00347 0.00849 0.00255 0.01258 65 7 H 1S 0.00000 0.02534 0.00002 -0.00825 -0.07517 66 2S 0.00000 -0.00229 -0.00001 0.00196 -0.01513 67 8 O 1S 0.00006 -0.13133 0.15235 0.00882 0.01420 68 2S 0.00029 0.28429 -0.33465 -0.02048 -0.03361 69 2PX 0.00002 0.02242 -0.03038 0.02008 0.12269 70 2PY 0.00000 0.08694 -0.06080 -0.00852 -0.03548 71 2PZ -0.00003 -0.00830 0.01424 -0.01175 -0.10847 72 3S -0.00180 0.28852 -0.35784 -0.02271 -0.03741 73 3PX -0.00051 0.00923 -0.02340 0.00988 0.05545 74 3PY -0.00019 0.05301 -0.03670 -0.00478 -0.01549 75 3PZ 0.00039 -0.00211 0.01097 -0.00502 -0.04938 76 4XX 0.00011 -0.00171 0.00000 0.00129 0.00396 77 4YY 0.00018 0.00722 0.00050 -0.00136 -0.00581 78 4ZZ 0.00016 -0.00460 0.00386 0.00017 0.00100 79 4XY -0.00004 0.00045 -0.00198 0.00195 0.01123 80 4XZ 0.00004 -0.00716 0.00771 -0.00022 -0.00387 81 4YZ 0.00003 0.00192 -0.00020 -0.00133 -0.01024 82 9 H 1S 0.00000 0.02455 0.00002 -0.01042 -0.07732 83 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 84 10 C 1S -0.67651 -0.00034 -0.00003 -0.09539 0.01858 85 2S -0.03431 0.00232 -0.00270 0.18222 -0.03484 86 2PX 0.00025 -0.00108 0.00074 -0.03994 0.00121 87 2PY -0.00029 0.00042 0.00050 0.02992 -0.00672 88 2PZ -0.00005 0.00015 -0.00009 0.03311 -0.00786 89 3S 0.01670 -0.00444 0.02195 0.11191 -0.03011 90 3PX -0.00236 0.00291 -0.00854 -0.00065 0.00200 91 3PY 0.00340 -0.00017 0.01025 0.00184 -0.00012 92 3PZ 0.00170 -0.00115 0.00565 -0.00173 -0.00221 93 4XX 0.00622 0.00025 -0.00018 -0.00441 0.00179 94 4YY 0.00586 0.00030 -0.00009 0.00298 -0.00056 95 4ZZ 0.00613 0.00041 -0.00045 -0.00337 0.00066 96 4XY -0.00012 -0.00008 -0.00026 0.00028 -0.00023 97 4XZ 0.00014 0.00007 -0.00015 -0.00711 0.00167 98 4YZ 0.00004 0.00004 0.00006 0.00046 -0.00014 99 11 C 1S 0.01163 -0.00187 0.00246 -0.09139 0.01330 100 2S 0.00071 0.00224 -0.00017 0.17063 -0.02642 101 2PX 0.00008 -0.00154 0.00108 0.02428 -0.01433 102 2PY 0.00010 0.00063 0.00058 0.04656 -0.00802 103 2PZ -0.00002 -0.00023 0.00070 0.00319 -0.01050 104 3S -0.00437 0.00685 -0.02162 0.13182 -0.01344 105 3PX -0.00089 -0.00008 0.00423 0.00048 -0.00160 106 3PY -0.00159 0.00219 -0.01159 0.01390 0.00133 107 3PZ 0.00058 -0.00033 -0.00365 0.00079 -0.00606 108 4XX 0.00009 0.00010 0.00016 -0.00551 0.00154 109 4YY 0.00006 -0.00028 0.00082 0.00087 -0.00027 110 4ZZ 0.00002 -0.00022 0.00068 -0.00067 -0.00068 111 4XY 0.00005 -0.00001 0.00005 0.00343 -0.00112 112 4XZ -0.00015 -0.00007 0.00012 -0.00599 0.00192 113 4YZ -0.00006 -0.00001 -0.00009 0.00073 -0.00091 114 12 C 1S -0.00025 -0.00166 0.00115 -0.08157 0.02469 115 2S 0.00013 0.00239 -0.00197 0.15285 -0.04716 116 2PX 0.00007 -0.00108 0.00111 0.01409 -0.00547 117 2PY -0.00003 -0.00017 0.00083 0.01823 -0.00659 118 2PZ -0.00008 -0.00087 0.00018 -0.03440 0.00016 119 3S 0.00019 -0.00019 0.00794 0.11366 -0.03492 120 3PX -0.00034 -0.00161 0.00280 0.00241 -0.00123 121 3PY -0.00006 0.00162 -0.00170 0.00282 -0.00326 122 3PZ 0.00004 -0.00105 -0.00241 -0.00209 0.00026 123 4XX 0.00005 0.00007 -0.00018 -0.00223 0.00040 124 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 125 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 126 4XY -0.00004 0.00001 0.00000 -0.00006 -0.00006 127 4XZ 0.00002 0.00030 -0.00037 -0.00194 0.00065 128 4YZ 0.00001 0.00008 -0.00004 0.00015 0.00011 129 13 C 1S 0.00028 -0.00166 -0.00115 -0.08158 0.02462 130 2S -0.00014 0.00239 0.00198 0.15286 -0.04704 131 2PX -0.00008 -0.00108 -0.00111 0.01408 -0.00546 132 2PY -0.00003 0.00017 0.00083 -0.01816 0.00665 133 2PZ 0.00009 -0.00087 -0.00018 -0.03443 0.00012 134 3S -0.00016 -0.00019 -0.00795 0.11363 -0.03485 135 3PX 0.00036 -0.00160 -0.00279 0.00242 -0.00123 136 3PY -0.00006 -0.00161 -0.00171 -0.00281 0.00329 137 3PZ -0.00005 -0.00105 0.00241 -0.00208 0.00027 138 4XX -0.00005 0.00007 0.00018 -0.00224 0.00040 139 4YY -0.00004 -0.00016 -0.00028 0.00150 -0.00058 140 4ZZ -0.00001 -0.00021 -0.00035 0.00108 0.00073 141 4XY -0.00004 -0.00001 0.00000 0.00006 0.00006 142 4XZ -0.00002 0.00030 0.00037 -0.00194 0.00065 143 4YZ 0.00001 -0.00008 -0.00004 -0.00015 -0.00012 144 14 C 1S -0.01245 -0.00188 -0.00247 -0.09140 0.01315 145 2S -0.00077 0.00225 0.00018 0.17062 -0.02613 146 2PX -0.00010 -0.00155 -0.00110 0.02436 -0.01436 147 2PY 0.00010 -0.00063 0.00058 -0.04652 0.00800 148 2PZ 0.00002 -0.00023 -0.00071 0.00315 -0.01051 149 3S 0.00454 0.00686 0.02166 0.13191 -0.01316 150 3PX 0.00096 -0.00007 -0.00423 0.00051 -0.00160 151 3PY -0.00163 -0.00220 -0.01161 -0.01395 -0.00134 152 3PZ -0.00064 -0.00035 0.00364 0.00077 -0.00607 153 4XX -0.00010 0.00010 -0.00015 -0.00550 0.00153 154 4YY -0.00005 -0.00028 -0.00082 0.00086 -0.00028 155 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 156 4XY 0.00005 0.00001 0.00005 -0.00343 0.00111 157 4XZ 0.00016 -0.00007 -0.00012 -0.00599 0.00192 158 4YZ -0.00006 0.00001 -0.00009 -0.00074 0.00092 159 15 C 1S 0.72677 -0.00034 0.00002 -0.09538 0.01851 160 2S 0.03680 0.00232 0.00271 0.18220 -0.03470 161 2PX -0.00027 -0.00108 -0.00075 -0.03993 0.00115 162 2PY -0.00028 -0.00042 0.00050 -0.03003 0.00681 163 2PZ 0.00005 0.00015 0.00009 0.03305 -0.00781 164 3S -0.01724 -0.00444 -0.02195 0.11184 -0.03009 165 3PX 0.00243 0.00292 0.00854 -0.00062 0.00203 166 3PY 0.00335 0.00016 0.01027 -0.00183 0.00015 167 3PZ -0.00173 -0.00115 -0.00563 -0.00175 -0.00223 168 4XX -0.00670 0.00025 0.00018 -0.00440 0.00179 169 4YY -0.00635 0.00030 0.00009 0.00298 -0.00056 170 4ZZ -0.00661 0.00041 0.00045 -0.00337 0.00067 171 4XY -0.00012 0.00008 -0.00026 -0.00028 0.00023 172 4XZ -0.00014 0.00007 0.00015 -0.00711 0.00166 173 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00015 174 16 H 1S 0.00024 0.00012 0.00004 0.03708 -0.00832 175 2S -0.00070 -0.00043 0.00320 0.00181 -0.00145 176 17 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00459 177 2S -0.00012 0.00104 -0.00364 0.00635 0.00023 178 18 H 1S -0.00002 0.00209 -0.00253 0.03705 -0.01331 179 2S -0.00031 0.00186 -0.00187 0.00200 -0.00618 180 19 H 1S 0.00002 0.00209 0.00254 0.03706 -0.01327 181 2S 0.00034 0.00186 0.00188 0.00201 -0.00617 182 20 H 1S 0.00001 0.00044 0.00093 0.03737 -0.00450 183 2S 0.00013 0.00104 0.00364 0.00636 0.00025 184 21 H 1S -0.00026 0.00012 -0.00004 0.03707 -0.00828 185 2S 0.00080 -0.00043 -0.00320 0.00180 -0.00145 186 22 H 1S 0.00005 0.00050 -0.00061 0.03921 -0.01539 187 2S 0.00006 0.00121 -0.00136 0.00321 -0.00367 188 23 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01536 189 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S -0.00474 -0.01201 -0.07250 0.09534 0.02250 2 2S 0.00927 0.02311 0.14747 -0.19661 -0.04500 3 2PX -0.00303 0.01232 0.08522 0.03113 0.01201 4 2PY -0.00304 0.01519 -0.15574 -0.13088 -0.03057 5 2PZ 0.00727 0.00046 -0.08079 0.01968 -0.00238 6 3S 0.00867 0.02688 0.12878 -0.18860 -0.05483 7 3PX -0.00050 0.00447 0.02245 -0.00186 0.00809 8 3PY 0.00013 -0.00037 -0.02893 -0.02722 -0.00267 9 3PZ 0.00264 0.00237 -0.01971 0.01215 -0.00728 10 4XX -0.00120 -0.00036 -0.01420 0.00287 0.00136 11 4YY 0.00015 -0.00103 0.00715 0.00733 0.00180 12 4ZZ 0.00048 -0.00010 -0.00464 -0.00004 -0.00050 13 4XY -0.00019 0.00103 0.00808 0.00479 0.00178 14 4XZ 0.00033 0.00044 0.00622 0.00762 0.00190 15 4YZ -0.00006 -0.00039 -0.00770 0.00424 0.00014 16 2 C 1S -0.00474 0.01213 -0.07233 -0.09549 -0.02249 17 2S 0.00925 -0.02335 0.14712 0.19693 0.04499 18 2PX -0.00303 -0.01221 0.08538 -0.03085 -0.01194 19 2PY 0.00303 0.01513 0.15614 -0.13069 -0.03064 20 2PZ 0.00727 -0.00041 -0.08045 -0.02006 0.00230 21 3S 0.00865 -0.02702 0.12841 0.18885 0.05484 22 3PX -0.00050 -0.00445 0.02248 0.00194 -0.00807 23 3PY -0.00015 -0.00039 0.02900 -0.02715 -0.00270 24 3PZ 0.00263 -0.00236 -0.01966 -0.01224 0.00726 25 4XX -0.00120 0.00037 -0.01418 -0.00291 -0.00136 26 4YY 0.00015 0.00102 0.00714 -0.00732 -0.00179 27 4ZZ 0.00048 0.00011 -0.00462 0.00003 0.00049 28 4XY 0.00019 0.00103 -0.00810 0.00478 0.00178 29 4XZ 0.00033 -0.00043 0.00621 -0.00762 -0.00190 30 4YZ 0.00006 -0.00039 0.00774 0.00423 0.00014 31 3 C 1S 0.00912 -0.00009 -0.12225 -0.00014 -0.00001 32 2S -0.01980 0.00018 0.25807 0.00029 0.00002 33 2PX 0.00441 -0.00002 -0.06484 -0.00013 -0.00003 34 2PY -0.00001 -0.01881 -0.00032 0.21591 0.06310 35 2PZ 0.00606 0.00000 0.06775 0.00029 0.00007 36 3S -0.01503 0.00015 0.24382 0.00029 0.00002 37 3PX 0.00668 -0.00001 -0.02134 -0.00004 -0.00001 38 3PY 0.00000 -0.00189 -0.00010 0.05678 0.01520 39 3PZ -0.00182 0.00001 0.02826 0.00009 0.00002 40 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 41 4YY -0.00042 0.00000 -0.01362 0.00001 0.00001 42 4ZZ 0.00029 0.00000 0.00147 -0.00002 -0.00001 43 4XY 0.00000 -0.00129 -0.00002 0.01288 0.00324 44 4XZ 0.00007 0.00000 0.00553 0.00002 0.00000 45 4YZ 0.00000 0.00186 0.00000 -0.01405 -0.00447 46 4 O 1S 0.00234 0.00716 0.07110 -0.02540 -0.00811 47 2S -0.00547 -0.01658 -0.16581 0.05862 0.01850 48 2PX 0.01378 0.01540 -0.07300 -0.18536 -0.05830 49 2PY 0.00429 0.00675 -0.08876 -0.05681 -0.01763 50 2PZ -0.00317 -0.00667 0.06623 0.16875 0.04080 51 3S -0.00823 -0.02077 -0.22105 0.08017 0.03083 52 3PX 0.00676 0.00710 -0.02843 -0.08562 -0.02718 53 3PY 0.00336 0.00376 -0.04834 -0.02437 -0.00915 54 3PZ -0.00012 -0.00247 0.02618 0.07953 0.01595 55 4XX 0.00056 0.00102 -0.00022 -0.00599 -0.00168 56 4YY -0.00086 -0.00045 0.01010 0.00338 0.00116 57 4ZZ 0.00012 0.00029 0.00085 -0.00284 -0.00068 58 4XY -0.00114 -0.00052 0.00146 0.00716 0.00216 59 4XZ 0.00032 -0.00003 -0.00110 0.00507 0.00057 60 4YZ 0.00038 0.00034 -0.00255 -0.00695 -0.00167 61 5 H 1S -0.00058 0.01416 0.05369 -0.11558 -0.02282 62 2S -0.00151 0.00613 0.01640 -0.04769 -0.01075 63 6 H 1S -0.00059 -0.01424 0.05351 0.11576 0.02285 64 2S -0.00152 -0.00616 0.01632 0.04777 0.01077 65 7 H 1S -0.00191 0.00006 0.11587 0.00013 0.00001 66 2S 0.00653 0.00001 0.03556 0.00005 0.00000 67 8 O 1S 0.00234 -0.00715 0.07102 0.02556 0.00811 68 2S -0.00546 0.01657 -0.16566 -0.05899 -0.01850 69 2PX 0.01377 -0.01558 -0.07338 0.18527 0.05828 70 2PY -0.00428 0.00678 0.08875 -0.05629 -0.01756 71 2PZ -0.00318 0.00685 0.06677 -0.16882 -0.04084 72 3S -0.00821 0.02074 -0.22079 -0.08071 -0.03084 73 3PX 0.00676 -0.00719 -0.02858 0.08559 0.02717 74 3PY -0.00336 0.00378 0.04836 -0.02413 -0.00914 75 3PZ -0.00012 0.00256 0.02643 -0.07958 -0.01597 76 4XX 0.00056 -0.00102 -0.00023 0.00599 0.00168 77 4YY -0.00086 0.00046 0.01009 -0.00334 -0.00115 78 4ZZ 0.00012 -0.00029 0.00085 0.00283 0.00068 79 4XY 0.00114 -0.00053 -0.00147 0.00717 0.00216 80 4XZ 0.00033 0.00003 -0.00109 -0.00506 -0.00057 81 4YZ -0.00038 0.00036 0.00259 -0.00696 -0.00168 82 9 H 1S -0.00771 0.00007 0.11585 0.00014 0.00001 83 2S 0.00021 0.00002 0.03819 0.00005 0.00001 84 10 C 1S 0.10574 0.06438 0.01274 -0.00729 0.08062 85 2S -0.20545 -0.12801 -0.02553 0.01534 -0.16370 86 2PX 0.00709 0.04452 -0.01059 -0.00453 0.02121 87 2PY -0.05181 0.07816 -0.00822 -0.00955 0.10427 88 2PZ 0.01095 -0.03739 -0.00021 -0.00676 0.00049 89 3S -0.15238 -0.07282 -0.02499 0.00483 -0.12766 90 3PX -0.00250 -0.00658 -0.00271 0.00316 -0.00807 91 3PY -0.00492 0.02228 -0.00068 -0.00243 0.03749 92 3PZ 0.00883 0.01009 -0.00273 -0.00498 0.01709 93 4XX 0.00670 -0.00004 0.00186 0.00029 0.00146 94 4YY -0.00489 0.00641 -0.00089 -0.00069 0.00748 95 4ZZ 0.00601 -0.00096 0.00004 -0.00053 0.00056 96 4XY 0.00085 -0.00409 -0.00012 0.00033 -0.00110 97 4XZ 0.00472 0.00712 0.00106 -0.00002 0.00613 98 4YZ -0.00177 0.00270 -0.00031 0.00080 -0.00191 99 11 C 1S 0.00749 0.12444 -0.00051 0.00488 0.02268 100 2S -0.01423 -0.24080 0.00023 -0.01134 -0.04698 101 2PX -0.05830 -0.02704 -0.01391 -0.00120 -0.09493 102 2PY -0.01160 -0.00555 0.00030 -0.00298 -0.00541 103 2PZ 0.09023 -0.00673 -0.00705 -0.04276 0.13783 104 3S -0.01437 -0.21040 0.00801 -0.00053 -0.04363 105 3PX -0.00997 -0.00284 0.00009 -0.00201 -0.02376 106 3PY -0.00628 -0.00250 0.00510 0.00316 0.00095 107 3PZ 0.01542 0.00011 -0.00377 -0.01691 0.03505 108 4XX -0.00217 0.00701 -0.00029 0.00204 -0.00228 109 4YY -0.00063 0.00073 0.00012 -0.00009 -0.00082 110 4ZZ 0.00532 0.00138 -0.00010 -0.00213 0.00682 111 4XY -0.00504 -0.00334 -0.00124 0.00048 -0.00397 112 4XZ 0.00163 0.00666 0.00099 0.00147 0.00266 113 4YZ 0.00739 -0.00133 -0.00059 -0.00148 0.00523 114 12 C 1S -0.11129 0.06714 0.00644 0.03429 -0.09320 115 2S 0.21416 -0.13016 -0.01224 -0.06888 0.18934 116 2PX -0.00845 -0.01554 -0.00761 -0.00347 -0.01267 117 2PY 0.03641 0.06524 -0.00108 0.03481 -0.09508 118 2PZ 0.01726 0.04152 -0.00619 -0.00542 0.01997 119 3S 0.18755 -0.10785 -0.01216 -0.06564 0.17958 120 3PX -0.00518 -0.00525 -0.00450 0.00039 -0.00931 121 3PY 0.00547 0.01783 0.00000 0.00862 -0.03890 122 3PZ 0.00639 0.00271 -0.00014 -0.00276 0.01634 123 4XX -0.00074 -0.00076 0.00011 -0.00151 0.00477 124 4YY 0.00375 0.00741 -0.00015 0.00368 -0.01015 125 4ZZ -0.00473 -0.00513 0.00047 -0.00010 -0.00049 126 4XY 0.00066 0.00118 -0.00021 0.00017 0.00150 127 4XZ 0.00196 0.00236 0.00017 -0.00002 0.00247 128 4YZ -0.00142 -0.00344 -0.00009 0.00087 -0.00255 129 13 C 1S -0.11132 -0.06707 0.00653 -0.03434 0.09317 130 2S 0.21423 0.13002 -0.01241 0.06898 -0.18929 131 2PX -0.00842 0.01547 -0.00763 0.00343 0.01269 132 2PY -0.03641 0.06535 0.00099 0.03471 -0.09507 133 2PZ 0.01718 -0.04143 -0.00618 0.00557 -0.02008 134 3S 0.18759 0.10771 -0.01237 0.06574 -0.17954 135 3PX -0.00518 0.00524 -0.00450 -0.00041 0.00931 136 3PY -0.00547 0.01784 -0.00002 0.00859 -0.03888 137 3PZ 0.00638 -0.00268 -0.00014 0.00281 -0.01639 138 4XX -0.00074 0.00076 0.00011 0.00151 -0.00477 139 4YY 0.00374 -0.00740 -0.00014 -0.00368 0.01016 140 4ZZ -0.00473 0.00512 0.00047 0.00010 0.00048 141 4XY -0.00067 0.00119 0.00021 0.00017 0.00149 142 4XZ 0.00195 -0.00236 0.00017 0.00002 -0.00246 143 4YZ 0.00144 -0.00347 0.00009 0.00087 -0.00254 144 14 C 1S 0.00739 -0.12445 -0.00047 -0.00476 -0.02260 145 2S -0.01404 0.24081 0.00014 0.01109 0.04683 146 2PX -0.05826 0.02716 -0.01395 0.00127 0.09490 147 2PY 0.01139 -0.00552 -0.00033 -0.00316 -0.00515 148 2PZ 0.09022 0.00671 -0.00716 0.04278 -0.13780 149 3S -0.01418 0.21046 0.00800 0.00031 0.04351 150 3PX -0.00996 0.00286 0.00010 0.00203 0.02376 151 3PY 0.00623 -0.00250 -0.00513 0.00309 0.00101 152 3PZ 0.01543 -0.00011 -0.00382 0.01692 -0.03504 153 4XX -0.00219 -0.00700 -0.00029 -0.00204 0.00230 154 4YY -0.00060 -0.00073 0.00012 0.00009 0.00080 155 4ZZ 0.00530 -0.00139 -0.00010 0.00214 -0.00681 156 4XY 0.00503 -0.00333 0.00124 0.00048 -0.00396 157 4XZ 0.00164 -0.00666 0.00100 -0.00147 -0.00269 158 4YZ -0.00739 -0.00133 0.00059 -0.00148 0.00524 159 15 C 1S 0.10567 -0.06447 0.01275 0.00724 -0.08070 160 2S -0.20530 0.12817 -0.02555 -0.01523 0.16385 161 2PX 0.00702 -0.04464 -0.01060 0.00460 -0.02127 162 2PY 0.05190 0.07797 0.00820 -0.00968 0.10404 163 2PZ 0.01107 0.03747 -0.00022 0.00669 -0.00046 164 3S -0.15233 0.07294 -0.02509 -0.00473 0.12780 165 3PX -0.00247 0.00657 -0.00267 -0.00315 0.00805 166 3PY 0.00494 0.02229 0.00068 -0.00247 0.03748 167 3PZ 0.00881 -0.01007 -0.00276 0.00495 -0.01707 168 4XX 0.00670 0.00004 0.00186 -0.00029 -0.00146 169 4YY -0.00490 -0.00642 -0.00089 0.00069 -0.00747 170 4ZZ 0.00601 0.00096 0.00004 0.00053 -0.00057 171 4XY -0.00085 -0.00407 0.00012 0.00034 -0.00108 172 4XZ 0.00471 -0.00714 0.00107 0.00002 -0.00613 173 4YZ 0.00176 0.00268 0.00031 0.00080 -0.00193 174 16 H 1S -0.06125 -0.03834 -0.01005 0.00877 -0.08120 175 2S -0.01269 -0.00261 -0.00389 0.00345 -0.02733 176 17 H 1S -0.00153 -0.07838 0.00122 -0.00014 -0.01619 177 2S -0.00163 -0.01907 0.00016 0.00327 -0.00474 178 18 H 1S 0.07056 -0.04277 -0.00103 -0.03075 0.09335 179 2S 0.01290 -0.00873 -0.00180 -0.01473 0.03179 180 19 H 1S 0.07059 0.04273 -0.00110 0.03080 -0.09334 181 2S 0.01291 0.00874 -0.00182 0.01474 -0.03178 182 20 H 1S -0.00146 0.07839 0.00119 0.00000 0.01610 183 2S -0.00161 0.01907 0.00015 -0.00333 0.00471 184 21 H 1S -0.06120 0.03839 -0.01006 -0.00873 0.08127 185 2S -0.01269 0.00262 -0.00390 -0.00343 0.02735 186 22 H 1S 0.06841 -0.04376 -0.00803 -0.03302 0.08669 187 2S 0.01612 -0.00724 -0.00283 -0.01300 0.03161 188 23 H 1S 0.06843 0.04372 -0.00811 0.03307 -0.08666 189 2S 0.01613 0.00723 -0.00286 0.01302 -0.03159 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 1 1 C 1S 0.00942 0.01090 -0.00409 -0.00036 0.00588 2 2S -0.02093 -0.02187 0.00865 0.00110 -0.01076 3 2PX 0.02362 -0.04628 0.05098 0.03419 -0.05261 4 2PY 0.04745 -0.19549 0.06010 0.03870 -0.01153 5 2PZ 0.00378 0.15356 0.06757 0.01092 0.03781 6 3S -0.00975 -0.04440 0.01537 0.00644 -0.01816 7 3PX 0.00748 -0.00761 0.02765 0.01430 -0.01824 8 3PY 0.01393 -0.06109 0.01977 0.01139 -0.00886 9 3PZ 0.00439 0.05084 0.03239 0.00448 0.00575 10 4XX 0.00153 0.00174 -0.00691 -0.00150 0.00273 11 4YY -0.00086 -0.00131 -0.00001 -0.00014 -0.00111 12 4ZZ 0.00115 -0.00282 0.00727 0.00239 -0.00124 13 4XY -0.00091 0.00671 -0.00442 -0.00441 -0.00558 14 4XZ 0.00111 -0.00279 -0.00206 0.00092 -0.00327 15 4YZ 0.00074 -0.00165 0.00110 0.00030 0.00424 16 2 C 1S 0.00932 0.01086 -0.00407 -0.00035 -0.00590 17 2S -0.02071 -0.02179 0.00863 0.00106 0.01081 18 2PX 0.02348 -0.04645 0.05107 0.03430 0.05263 19 2PY -0.04762 0.19520 -0.06028 -0.03875 -0.01146 20 2PZ 0.00364 0.15399 0.06736 0.01074 -0.03799 21 3S -0.00954 -0.04429 0.01524 0.00641 0.01818 22 3PX 0.00745 -0.00764 0.02767 0.01435 0.01824 23 3PY -0.01396 0.06103 -0.01987 -0.01143 -0.00885 24 3PZ 0.00435 0.05095 0.03228 0.00443 -0.00582 25 4XX 0.00152 0.00174 -0.00692 -0.00151 -0.00274 26 4YY -0.00087 -0.00135 -0.00001 -0.00013 0.00110 27 4ZZ 0.00115 -0.00279 0.00728 0.00239 0.00126 28 4XY 0.00092 -0.00668 0.00442 0.00440 -0.00559 29 4XZ 0.00109 -0.00280 -0.00204 0.00094 0.00324 30 4YZ -0.00074 0.00165 -0.00111 -0.00030 0.00424 31 3 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00001 32 2S 0.00285 -0.02344 0.00836 -0.00202 -0.00002 33 2PX -0.01561 0.22011 0.14683 0.00042 0.00021 34 2PY 0.00016 0.00017 -0.00028 -0.00016 -0.07079 35 2PZ 0.00731 -0.07969 0.30144 0.09947 0.00018 36 3S 0.00473 -0.04138 0.02723 0.00853 -0.00001 37 3PX -0.00844 0.08450 0.07297 0.00354 0.00007 38 3PY 0.00004 0.00006 -0.00011 -0.00007 -0.02804 39 3PZ 0.00408 -0.01923 0.11946 0.04301 0.00008 40 4XX -0.00055 0.00015 -0.00212 -0.00084 -0.00001 41 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 42 4ZZ -0.00099 0.00009 0.00615 0.00098 0.00001 43 4XY 0.00001 0.00001 -0.00001 -0.00001 -0.00227 44 4XZ 0.00164 -0.01454 0.00685 0.00449 0.00000 45 4YZ -0.00001 0.00000 -0.00002 0.00000 0.00290 46 4 O 1S -0.00788 0.02952 -0.00278 -0.01110 -0.00416 47 2S 0.01896 -0.06740 0.00643 0.02495 0.00883 48 2PX -0.00477 0.05341 0.16041 0.03341 0.06337 49 2PY 0.02731 -0.19861 0.08001 0.06934 0.01160 50 2PZ 0.00869 0.05723 0.12580 0.03151 -0.05838 51 3S 0.02414 -0.09920 0.00698 0.04172 0.02146 52 3PX -0.00466 0.03578 0.08923 0.01748 0.03358 53 3PY 0.01584 -0.11637 0.04803 0.04074 0.00394 54 3PZ 0.00542 0.02712 0.07615 0.01900 -0.02968 55 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 56 4YY -0.00198 0.01675 -0.00724 -0.00595 -0.00110 57 4ZZ 0.00065 -0.00841 0.00323 0.00173 -0.00073 58 4XY 0.00205 -0.01180 -0.00815 -0.00047 -0.00281 59 4XZ -0.00006 0.00510 0.00054 -0.00080 0.00001 60 4YZ -0.00150 0.00146 -0.01120 -0.00382 0.00234 61 5 H 1S 0.00738 -0.12875 0.00459 0.00971 -0.03697 62 2S 0.00576 -0.07793 0.00769 0.00246 -0.02720 63 6 H 1S 0.00754 -0.12877 0.00471 0.00980 0.03709 64 2S 0.00584 -0.07793 0.00775 0.00250 0.02730 65 7 H 1S 0.00036 -0.03001 0.17195 0.04819 0.00014 66 2S -0.00426 -0.02517 0.10560 0.02521 0.00009 67 8 O 1S -0.00786 0.02953 -0.00278 -0.01110 0.00412 68 2S 0.01891 -0.06742 0.00643 0.02494 -0.00875 69 2PX -0.00448 0.05357 0.16045 0.03331 -0.06324 70 2PY -0.02742 0.19860 -0.08025 -0.06943 0.01133 71 2PZ 0.00835 0.05748 0.12572 0.03152 0.05863 72 3S 0.02407 -0.09922 0.00702 0.04170 -0.02129 73 3PX -0.00453 0.03586 0.08928 0.01743 -0.03349 74 3PY -0.01589 0.11638 -0.04817 -0.04079 0.00380 75 3PZ 0.00525 0.02728 0.07610 0.01900 0.02981 76 4XX 0.00144 -0.00629 0.00441 0.00253 0.00039 77 4YY -0.00199 0.01677 -0.00728 -0.00597 0.00108 78 4ZZ 0.00066 -0.00842 0.00326 0.00174 0.00075 79 4XY -0.00204 0.01179 0.00815 0.00046 -0.00280 80 4XZ -0.00007 0.00512 0.00055 -0.00080 -0.00002 81 4YZ 0.00148 -0.00141 0.01118 0.00381 0.00236 82 9 H 1S 0.00689 -0.10831 -0.09039 -0.00871 -0.00014 83 2S 0.00243 -0.06407 -0.05006 -0.00281 -0.00010 84 10 C 1S 0.05702 0.00372 -0.00461 0.00523 0.06954 85 2S -0.11524 -0.00608 0.00989 -0.00984 -0.14349 86 2PX -0.08930 -0.01931 0.02769 -0.11650 -0.06290 87 2PY -0.13470 -0.00268 -0.00742 0.12235 0.08200 88 2PZ 0.08841 0.03280 -0.05980 0.14417 0.07094 89 3S -0.10504 -0.01672 0.01742 -0.01922 -0.15377 90 3PX -0.02722 -0.00293 0.00622 -0.03704 -0.02735 91 3PY -0.02908 0.00142 -0.00402 0.03497 0.03354 92 3PZ 0.02889 0.00952 -0.01939 0.04672 0.03181 93 4XX 0.00702 0.00040 0.00076 0.00090 0.00319 94 4YY -0.00384 -0.00038 0.00100 -0.00205 0.00906 95 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00281 96 4XY 0.00456 0.00015 -0.00021 -0.00210 0.00785 97 4XZ -0.00045 -0.00054 0.00003 0.00131 0.00556 98 4YZ -0.00466 -0.00026 0.00027 0.00046 -0.00925 99 11 C 1S -0.10219 -0.01243 0.00596 0.00758 -0.06160 100 2S 0.20671 0.02606 -0.01136 -0.01798 0.12767 101 2PX -0.00356 0.00924 -0.04257 0.01422 -0.07378 102 2PY -0.07520 0.01892 -0.04305 0.19961 -0.11932 103 2PZ -0.00529 0.00865 -0.02152 0.01138 0.01959 104 3S 0.19334 0.02640 -0.01504 -0.01838 0.14635 105 3PX -0.00839 0.00954 -0.01709 -0.00488 -0.03064 106 3PY -0.03145 0.00910 -0.02107 0.08100 -0.04708 107 3PZ -0.00421 0.00264 -0.00590 0.01026 0.00075 108 4XX -0.00818 -0.00096 0.00300 0.00020 -0.00863 109 4YY 0.00403 0.00063 0.00064 -0.00238 0.01114 110 4ZZ -0.00854 -0.00206 0.00006 -0.00181 -0.00991 111 4XY 0.00040 0.00000 -0.00187 0.00216 -0.00005 112 4XZ 0.00002 -0.00128 -0.00078 0.00153 0.00499 113 4YZ 0.00152 -0.00002 -0.00103 -0.00081 0.00211 114 12 C 1S 0.04250 0.00808 0.00679 0.00556 0.04545 115 2S -0.08557 -0.01802 -0.01488 -0.01011 -0.09135 116 2PX 0.02399 0.00212 -0.09662 0.03187 0.00788 117 2PY -0.07736 -0.00182 -0.02342 0.08428 0.03417 118 2PZ -0.10183 -0.03755 0.00530 -0.10161 -0.10447 119 3S -0.08405 -0.01119 -0.01987 -0.02785 -0.12232 120 3PX 0.00903 -0.00468 -0.04044 0.01505 0.00733 121 3PY -0.02416 -0.00041 -0.00272 0.03839 0.00866 122 3PZ -0.03483 -0.01451 -0.00658 -0.04009 -0.04433 123 4XX -0.00234 -0.00082 0.00329 -0.00497 -0.00641 124 4YY -0.00229 -0.00097 -0.00078 -0.00095 0.00753 125 4ZZ 0.00761 0.00105 -0.00189 0.00213 0.00295 126 4XY -0.00165 -0.00026 0.00069 0.00075 -0.00127 127 4XZ -0.00379 -0.00097 -0.00062 -0.00323 -0.00274 128 4YZ 0.00493 0.00010 0.00095 -0.00328 0.00988 129 13 C 1S 0.04255 0.00808 0.00684 0.00558 -0.04543 130 2S -0.08568 -0.01802 -0.01499 -0.01015 0.09132 131 2PX 0.02390 0.00212 -0.09664 0.03191 -0.00757 132 2PY 0.07748 0.00188 0.02332 -0.08411 0.03411 133 2PZ -0.10173 -0.03756 0.00527 -0.10175 0.10457 134 3S -0.08421 -0.01122 -0.01996 -0.02786 0.12225 135 3PX 0.00900 -0.00468 -0.04047 0.01510 -0.00719 136 3PY 0.02422 0.00043 0.00271 -0.03832 0.00861 137 3PZ -0.03479 -0.01450 -0.00663 -0.04016 0.04434 138 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00642 139 4YY -0.00227 -0.00097 -0.00077 -0.00096 -0.00756 140 4ZZ 0.00760 0.00105 -0.00188 0.00214 -0.00293 141 4XY 0.00165 0.00026 -0.00068 -0.00075 -0.00125 142 4XZ -0.00377 -0.00097 -0.00063 -0.00322 0.00273 143 4YZ -0.00496 -0.00011 -0.00096 0.00327 0.00987 144 14 C 1S -0.10222 -0.01243 0.00589 0.00757 0.06160 145 2S 0.20676 0.02605 -0.01121 -0.01797 -0.12766 146 2PX -0.00353 0.00933 -0.04277 0.01438 0.07395 147 2PY 0.07523 -0.01899 0.04310 -0.19956 -0.11914 148 2PZ -0.00519 0.00863 -0.02140 0.01104 -0.01974 149 3S 0.19347 0.02645 -0.01499 -0.01835 -0.14639 150 3PX -0.00838 0.00960 -0.01715 -0.00482 0.03071 151 3PY 0.03141 -0.00915 0.02113 -0.08104 -0.04699 152 3PZ -0.00416 0.00262 -0.00585 0.01012 -0.00079 153 4XX -0.00818 -0.00096 0.00299 0.00021 0.00863 154 4YY 0.00404 0.00063 0.00065 -0.00239 -0.01114 155 4ZZ -0.00855 -0.00206 0.00006 -0.00181 0.00992 156 4XY -0.00041 0.00000 0.00187 -0.00217 -0.00004 157 4XZ 0.00002 -0.00128 -0.00077 0.00152 -0.00499 158 4YZ -0.00149 0.00002 0.00103 0.00080 0.00206 159 15 C 1S 0.05698 0.00368 -0.00453 0.00526 -0.06954 160 2S -0.11515 -0.00599 0.00972 -0.00990 0.14349 161 2PX -0.08945 -0.01931 0.02765 -0.11638 0.06285 162 2PY 0.13452 0.00266 0.00743 -0.12270 0.08222 163 2PZ 0.08859 0.03279 -0.05972 0.14395 -0.07080 164 3S -0.10506 -0.01671 0.01733 -0.01931 0.15382 165 3PX -0.02721 -0.00289 0.00616 -0.03700 0.02731 166 3PY 0.02906 -0.00141 0.00397 -0.03507 0.03363 167 3PZ 0.02888 0.00947 -0.01933 0.04666 -0.03172 168 4XX 0.00703 0.00040 0.00076 0.00090 -0.00321 169 4YY -0.00387 -0.00038 0.00101 -0.00204 -0.00902 170 4ZZ 0.00295 0.00007 -0.00049 -0.00342 0.00279 171 4XY -0.00455 -0.00014 0.00020 0.00210 0.00786 172 4XZ -0.00047 -0.00055 0.00003 0.00132 -0.00554 173 4YZ 0.00465 0.00026 -0.00026 -0.00046 -0.00927 174 16 H 1S -0.06456 -0.01844 0.03460 -0.12049 -0.13842 175 2S -0.02740 -0.01177 0.02241 -0.08522 -0.08664 176 17 H 1S 0.11677 -0.00019 0.02006 -0.11153 0.13181 177 2S 0.05091 -0.00379 0.01347 -0.06814 0.08346 178 18 H 1S -0.04243 -0.01137 0.05540 -0.04760 -0.06780 179 2S -0.01760 -0.01371 0.05152 -0.02203 -0.03710 180 19 H 1S -0.04250 -0.01140 0.05532 -0.04768 0.06773 181 2S -0.01763 -0.01371 0.05145 -0.02207 0.03710 182 20 H 1S 0.11680 -0.00023 0.02015 -0.11149 -0.13175 183 2S 0.05093 -0.00381 0.01351 -0.06809 -0.08342 184 21 H 1S -0.06451 -0.01839 0.03447 -0.12051 0.13843 185 2S -0.02740 -0.01176 0.02235 -0.08523 0.08666 186 22 H 1S -0.04639 -0.01879 -0.03232 -0.04631 -0.08449 187 2S -0.02135 -0.00974 -0.01508 -0.03115 -0.05210 188 23 H 1S -0.04642 -0.01878 -0.03244 -0.04628 0.08458 189 2S -0.02137 -0.00973 -0.01514 -0.03113 0.05218 26 27 28 29 30 O O O O O Eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.04340 -0.00823 0.00341 -0.00434 0.00573 2 2S 0.08689 0.02243 -0.01036 0.00811 -0.00810 3 2PX 0.13242 -0.09510 0.13169 0.02801 0.01130 4 2PY 0.07278 0.02160 -0.00052 -0.01143 -0.00231 5 2PZ -0.20012 0.03144 -0.16467 -0.02598 0.02533 6 3S 0.13920 0.00777 -0.01201 0.01694 -0.04809 7 3PX 0.03523 -0.03435 0.04741 0.00533 0.00367 8 3PY 0.00538 0.00615 -0.00324 0.00031 0.01927 9 3PZ -0.05286 0.00423 -0.06073 -0.00700 0.01609 10 4XX -0.01108 -0.00022 -0.00663 -0.00396 -0.00159 11 4YY 0.00184 -0.00046 0.00231 0.00138 0.00147 12 4ZZ 0.00415 -0.00124 0.00651 0.00176 0.00187 13 4XY 0.01343 -0.00076 0.00455 0.00022 0.00123 14 4XZ 0.00593 -0.00540 0.00277 0.00139 -0.00026 15 4YZ -0.02182 0.00218 -0.00461 -0.00012 0.00319 16 2 C 1S 0.04328 -0.00873 0.00374 -0.00429 -0.00570 17 2S -0.08656 0.02344 -0.01101 0.00802 0.00803 18 2PX -0.13464 -0.09362 0.13079 0.02795 -0.01151 19 2PY 0.07205 -0.02244 0.00136 0.01154 -0.00297 20 2PZ 0.20164 0.02927 -0.16308 -0.02579 -0.02567 21 3S -0.13901 0.00935 -0.01308 0.01672 0.04796 22 3PX -0.03600 -0.03395 0.04714 0.00533 -0.00379 23 3PY 0.00515 -0.00616 0.00336 -0.00035 0.01910 24 3PZ 0.05327 0.00365 -0.06029 -0.00698 -0.01618 25 4XX 0.01110 -0.00035 -0.00654 -0.00394 0.00161 26 4YY -0.00180 -0.00044 0.00229 0.00138 -0.00151 27 4ZZ -0.00425 -0.00119 0.00648 0.00175 -0.00183 28 4XY 0.01351 0.00062 -0.00446 -0.00022 0.00120 29 4XZ -0.00596 -0.00533 0.00271 0.00138 0.00024 30 4YZ -0.02189 -0.00195 0.00443 0.00010 0.00321 31 3 C 1S -0.00020 -0.01983 0.02043 -0.00013 -0.00005 32 2S 0.00043 0.04353 -0.04013 0.00101 0.00012 33 2PX -0.00106 0.00891 0.29898 0.03912 0.00032 34 2PY 0.19147 -0.00128 0.00091 0.00011 -0.00995 35 2PZ 0.00173 0.19833 -0.06935 0.01121 -0.00009 36 3S 0.00054 0.05138 -0.05413 0.00647 0.00014 37 3PX -0.00044 -0.00566 0.10989 0.00773 0.00014 38 3PY 0.08923 -0.00059 0.00039 0.00003 0.00178 39 3PZ 0.00070 0.08657 -0.01962 0.01499 -0.00004 40 4XX 0.00010 0.00313 -0.02269 -0.00375 -0.00001 41 4YY -0.00019 -0.01636 0.02992 0.00468 -0.00001 42 4ZZ 0.00009 0.01230 -0.00794 -0.00148 0.00002 43 4XY 0.00391 -0.00002 0.00001 0.00000 0.00211 44 4XZ 0.00004 0.00182 -0.00457 0.00025 -0.00001 45 4YZ -0.00850 0.00002 0.00000 0.00000 0.00433 46 4 O 1S 0.01696 0.01254 -0.02325 -0.00417 0.00052 47 2S -0.03689 -0.02804 0.05143 0.00892 -0.00296 48 2PX -0.20066 0.12976 -0.15476 -0.02103 0.04587 49 2PY -0.02964 -0.00041 -0.02291 0.01377 0.02070 50 2PZ 0.12060 -0.05312 0.18994 0.04672 0.05289 51 3S -0.08806 -0.04886 0.10425 0.01770 0.00096 52 3PX -0.10832 0.07226 -0.08116 -0.01170 0.03277 53 3PY -0.00790 -0.00881 -0.00870 0.00954 0.01257 54 3PZ 0.05817 -0.03001 0.10581 0.03040 0.03683 55 4XX -0.00005 0.00066 -0.00831 -0.00066 0.00100 56 4YY 0.00227 0.00027 0.00211 -0.00070 -0.00153 57 4ZZ 0.00540 0.00298 -0.00038 -0.00005 -0.00121 58 4XY 0.00853 -0.00648 0.00497 0.00084 -0.00145 59 4XZ -0.00202 -0.00353 0.00343 0.00036 0.00144 60 4YZ -0.00507 0.00046 -0.00950 -0.00241 -0.00199 61 5 H 1S 0.18940 -0.01097 0.09027 0.01451 -0.01368 62 2S 0.14789 -0.01190 0.07336 0.00779 -0.00315 63 6 H 1S -0.19014 -0.00895 0.08883 0.01434 0.01403 64 2S -0.14854 -0.01030 0.07221 0.00763 0.00347 65 7 H 1S 0.00099 0.12923 -0.03839 0.00244 0.00005 66 2S 0.00065 0.07776 -0.03204 -0.01649 0.00003 67 8 O 1S -0.01664 0.01275 -0.02341 -0.00420 -0.00040 68 2S 0.03619 -0.02848 0.05176 0.00898 0.00272 69 2PX 0.20330 0.12755 -0.15309 -0.02083 -0.04585 70 2PY -0.02965 0.00099 0.02208 -0.01399 0.02146 71 2PZ -0.12270 -0.05182 0.18922 0.04663 -0.05302 72 3S 0.08668 -0.04993 0.10508 0.01788 -0.00152 73 3PX 0.10974 0.07107 -0.08024 -0.01158 -0.03274 74 3PY -0.00782 0.00904 0.00832 -0.00967 0.01304 75 3PZ -0.05931 -0.02937 0.10548 0.03035 -0.03693 76 4XX 0.00012 0.00066 -0.00830 -0.00066 -0.00101 77 4YY -0.00227 0.00030 0.00205 -0.00072 0.00159 78 4ZZ -0.00537 0.00304 -0.00040 -0.00006 0.00122 79 4XY 0.00864 0.00640 -0.00491 -0.00083 -0.00145 80 4XZ 0.00197 -0.00354 0.00344 0.00036 -0.00144 81 4YZ -0.00514 -0.00041 0.00947 0.00241 -0.00199 82 9 H 1S 0.00071 0.00144 -0.19583 -0.02667 -0.00013 83 2S 0.00047 -0.00860 -0.14789 -0.02502 -0.00013 84 10 C 1S 0.01119 -0.00130 0.00259 0.00503 -0.00674 85 2S -0.02092 0.00239 -0.00791 -0.01051 0.01764 86 2PX -0.01408 0.00944 -0.03104 0.15433 -0.12077 87 2PY 0.01078 -0.05737 -0.03606 0.19653 0.01481 88 2PZ 0.03558 0.05785 0.01680 -0.07682 0.16405 89 3S -0.03568 0.00549 0.00328 -0.01427 0.02549 90 3PX 0.00025 0.00840 -0.01598 0.06150 -0.01622 91 3PY -0.00473 -0.01738 -0.01234 0.07225 0.03694 92 3PZ 0.01241 0.02809 0.00606 -0.02506 0.03671 93 4XX -0.00011 -0.00217 0.00088 -0.00437 0.00155 94 4YY 0.00215 -0.00039 -0.00116 0.00309 -0.00774 95 4ZZ 0.00008 0.00265 -0.00010 0.00260 0.00083 96 4XY 0.00199 0.00171 0.00027 -0.00084 0.00671 97 4XZ 0.00022 -0.00064 0.00069 0.00131 -0.00155 98 4YZ -0.00367 -0.00010 -0.00048 0.00075 -0.01098 99 11 C 1S -0.02374 0.00076 0.00389 -0.00058 -0.02738 100 2S 0.04997 0.00063 -0.00763 0.00097 0.06305 101 2PX 0.01253 0.10544 0.03937 -0.12518 0.10075 102 2PY -0.02925 -0.01595 0.00080 -0.03561 0.25438 103 2PZ 0.02251 -0.00112 -0.04120 0.23686 0.03149 104 3S 0.05780 -0.01211 -0.01675 0.01210 0.09505 105 3PX 0.00334 0.04405 0.01132 -0.03651 0.04759 106 3PY -0.00944 -0.01964 -0.00853 -0.00723 0.07516 107 3PZ 0.02117 0.00490 -0.01298 0.08432 0.01015 108 4XX -0.00268 0.00006 -0.00022 -0.00440 0.00056 109 4YY 0.00332 -0.00146 -0.00080 0.00260 -0.01168 110 4ZZ -0.00431 0.00115 0.00157 0.00350 0.00278 111 4XY 0.00060 0.00365 0.00091 -0.00122 0.00320 112 4XZ -0.00066 0.00388 0.00244 0.00453 0.00024 113 4YZ 0.00095 0.00052 -0.00121 0.00457 -0.00082 114 12 C 1S 0.01413 0.00505 0.00046 0.00003 -0.00886 115 2S -0.03016 -0.01118 -0.00057 0.00168 0.01675 116 2PX 0.01891 0.22935 0.07276 0.12349 0.12741 117 2PY 0.01120 -0.01045 0.01418 -0.14003 0.01440 118 2PZ -0.04216 0.10590 0.07130 -0.15630 -0.07861 119 3S -0.04066 -0.01674 -0.00849 0.00238 0.05387 120 3PX -0.00185 0.10348 0.03531 0.05634 0.06029 121 3PY 0.00922 0.00075 0.01010 -0.06573 0.03119 122 3PZ -0.02041 0.04049 0.02580 -0.07072 -0.02688 123 4XX -0.00244 -0.00087 0.00016 -0.00463 -0.00345 124 4YY 0.00211 -0.00104 0.00009 -0.00205 -0.00505 125 4ZZ 0.00063 0.00332 0.00083 0.00507 0.00687 126 4XY -0.00151 -0.00302 -0.00088 -0.00124 -0.00779 127 4XZ -0.00131 0.00828 0.00353 0.00199 -0.00169 128 4YZ 0.00352 -0.00015 -0.00056 0.00272 0.00141 129 13 C 1S -0.01408 0.00527 0.00039 0.00002 0.00884 130 2S 0.03005 -0.01164 -0.00040 0.00170 -0.01669 131 2PX -0.01704 0.22961 0.07271 0.12348 -0.12746 132 2PY 0.01119 0.01023 -0.01419 0.14031 0.01412 133 2PZ 0.04287 0.10526 0.07150 -0.15610 0.07821 134 3S 0.04056 -0.01739 -0.00825 0.00245 -0.05372 135 3PX 0.00268 0.10347 0.03535 0.05633 -0.06031 136 3PY 0.00918 -0.00086 -0.01004 0.06583 0.03110 137 3PZ 0.02068 0.04018 0.02591 -0.07061 0.02675 138 4XX 0.00244 -0.00088 0.00018 -0.00463 0.00344 139 4YY -0.00213 -0.00100 0.00008 -0.00205 0.00505 140 4ZZ -0.00059 0.00331 0.00082 0.00507 -0.00687 141 4XY -0.00148 0.00303 0.00087 0.00124 -0.00780 142 4XZ 0.00136 0.00828 0.00354 0.00201 0.00164 143 4YZ 0.00352 0.00009 0.00058 -0.00273 0.00143 144 14 C 1S 0.02373 0.00047 0.00401 -0.00061 0.02735 145 2S -0.04991 0.00125 -0.00788 0.00103 -0.06299 146 2PX -0.01165 0.10551 0.03924 -0.12506 -0.10124 147 2PY -0.02915 0.01671 -0.00077 0.03487 0.25429 148 2PZ -0.02246 -0.00094 -0.04142 0.23682 -0.03063 149 3S -0.05785 -0.01139 -0.01706 0.01224 -0.09496 150 3PX -0.00294 0.04406 0.01129 -0.03645 -0.04775 151 3PY -0.00927 0.01988 0.00855 0.00698 0.07514 152 3PZ -0.02113 0.00513 -0.01315 0.08431 -0.00994 153 4XX 0.00268 0.00003 -0.00021 -0.00441 -0.00057 154 4YY -0.00333 -0.00141 -0.00082 0.00260 0.01170 155 4ZZ 0.00431 0.00108 0.00160 0.00349 -0.00279 156 4XY 0.00057 -0.00366 -0.00091 0.00119 0.00320 157 4XZ 0.00069 0.00388 0.00245 0.00456 -0.00024 158 4YZ 0.00092 -0.00053 0.00122 -0.00456 -0.00080 159 15 C 1S -0.01122 -0.00112 0.00258 0.00506 0.00674 160 2S 0.02101 0.00205 -0.00790 -0.01057 -0.01764 161 2PX 0.01426 0.00916 -0.03106 0.15430 0.12118 162 2PY 0.01120 0.05712 0.03600 -0.19631 0.01501 163 2PZ -0.03497 0.05836 0.01667 -0.07675 -0.16407 164 3S 0.03570 0.00493 0.00339 -0.01441 -0.02555 165 3PX -0.00009 0.00835 -0.01604 0.06155 0.01636 166 3PY -0.00462 0.01739 0.01223 -0.07220 0.03690 167 3PZ -0.01212 0.02827 0.00601 -0.02510 -0.03665 168 4XX 0.00008 -0.00217 0.00089 -0.00438 -0.00158 169 4YY -0.00214 -0.00036 -0.00117 0.00309 0.00778 170 4ZZ -0.00007 0.00265 -0.00011 0.00260 -0.00084 171 4XY 0.00197 -0.00175 -0.00026 0.00081 0.00670 172 4XZ -0.00022 -0.00064 0.00069 0.00131 0.00157 173 4YZ -0.00368 0.00014 0.00046 -0.00072 -0.01096 174 16 H 1S -0.03403 -0.00309 -0.00884 0.01623 -0.11245 175 2S -0.02852 -0.00126 -0.00543 0.01605 -0.10973 176 17 H 1S 0.03818 0.00172 -0.00451 0.02010 -0.13988 177 2S 0.02415 -0.00296 -0.00591 0.01921 -0.14218 178 18 H 1S -0.03210 -0.09937 -0.02825 -0.06363 -0.08255 179 2S -0.02320 -0.06356 -0.00950 -0.04913 -0.07455 180 19 H 1S 0.03129 -0.09976 -0.02806 -0.06374 0.08252 181 2S 0.02265 -0.06382 -0.00939 -0.04923 0.07449 182 20 H 1S -0.03819 0.00241 -0.00465 0.01999 0.13987 183 2S -0.02419 -0.00248 -0.00599 0.01909 0.14214 184 21 H 1S 0.03399 -0.00358 -0.00874 0.01594 0.11255 185 2S 0.02850 -0.00165 -0.00532 0.01578 0.10985 186 22 H 1S -0.02533 0.12795 0.05385 0.01212 0.02390 187 2S -0.01169 0.10038 0.04353 0.00916 0.01479 188 23 H 1S 0.02626 0.12761 0.05401 0.01227 -0.02421 189 2S 0.01241 0.10021 0.04359 0.00927 -0.01508 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38415 -0.37327 -0.35526 -0.34881 1 1 C 1S 0.01693 0.00694 0.01727 0.03094 -0.00018 2 2S -0.03776 -0.01691 -0.03513 -0.07034 0.00330 3 2PX -0.11957 -0.02819 -0.05561 0.07472 -0.12374 4 2PY 0.23123 0.11830 -0.00857 0.00386 -0.18235 5 2PZ -0.09942 -0.03286 -0.08246 -0.04445 -0.12789 6 3S -0.05899 -0.02342 -0.07134 -0.10615 0.00132 7 3PX -0.05942 -0.01765 -0.05559 -0.00834 -0.08675 8 3PY 0.05980 0.02882 0.01924 0.05227 -0.05854 9 3PZ -0.04600 -0.00576 -0.03757 0.01270 -0.08085 10 4XX 0.01016 0.00359 0.00610 -0.00544 0.00037 11 4YY -0.00909 -0.00439 0.00396 0.01150 0.00545 12 4ZZ 0.00694 0.00473 -0.00790 -0.00272 -0.00895 13 4XY 0.00673 0.00169 -0.00605 -0.00332 0.00188 14 4XZ -0.00730 -0.00268 0.00250 0.00899 0.00649 15 4YZ -0.00409 -0.00263 -0.00410 0.00352 0.00623 16 2 C 1S 0.01686 0.00693 -0.01728 -0.03096 -0.00038 17 2S -0.03761 -0.01687 0.03515 0.07038 0.00374 18 2PX -0.11954 -0.02812 0.05561 -0.07393 -0.12412 19 2PY -0.23102 -0.11824 -0.00814 0.00325 0.18262 20 2PZ -0.09972 -0.03293 0.08243 0.04502 -0.12748 21 3S -0.05873 -0.02338 0.07139 0.10616 0.00188 22 3PX -0.05940 -0.01759 0.05557 0.00886 -0.08671 23 3PY -0.05959 -0.02879 0.01931 0.05213 0.05873 24 3PZ -0.04601 -0.00576 0.03759 -0.01228 -0.08095 25 4XX 0.01016 0.00358 -0.00614 0.00542 0.00042 26 4YY -0.00910 -0.00439 -0.00393 -0.01153 0.00542 27 4ZZ 0.00694 0.00474 0.00788 0.00277 -0.00899 28 4XY -0.00676 -0.00171 -0.00604 -0.00328 -0.00188 29 4XZ -0.00734 -0.00270 -0.00250 -0.00901 0.00646 30 4YZ 0.00405 0.00260 -0.00414 0.00351 -0.00617 31 3 C 1S -0.03130 -0.01592 0.00004 -0.00001 0.02086 32 2S 0.07641 0.03963 -0.00010 0.00002 -0.05254 33 2PX 0.15451 0.07157 -0.00019 -0.00015 0.06510 34 2PY -0.00016 -0.00007 -0.06905 -0.17976 -0.00051 35 2PZ -0.01799 0.00016 -0.00005 -0.00047 0.17946 36 3S 0.08257 0.04561 -0.00012 0.00006 -0.06789 37 3PX 0.06704 0.03034 -0.00009 -0.00003 0.00657 38 3PY -0.00002 -0.00002 -0.02100 -0.00551 -0.00005 39 3PZ -0.02674 0.00027 -0.00001 -0.00008 0.04819 40 4XX -0.00402 -0.00156 0.00001 0.00003 -0.01843 41 4YY -0.01126 -0.00388 0.00002 -0.00002 0.00293 42 4ZZ 0.01304 0.00460 -0.00002 -0.00001 0.01775 43 4XY -0.00001 -0.00001 -0.01650 -0.01812 -0.00003 44 4XZ -0.00786 -0.00305 -0.00001 -0.00002 0.00389 45 4YZ -0.00002 -0.00001 -0.00763 0.01714 0.00004 46 4 O 1S 0.03748 0.01423 -0.01760 -0.03613 -0.01848 47 2S -0.07457 -0.02602 0.03965 0.07274 0.03609 48 2PX 0.04365 0.02383 -0.17532 -0.06738 -0.13842 49 2PY -0.20853 -0.08324 0.09729 0.41169 0.10697 50 2PZ -0.11716 -0.03200 -0.20943 0.03400 -0.09738 51 3S -0.17847 -0.07422 0.06348 0.13353 0.08473 52 3PX 0.02997 0.01441 -0.12781 -0.04953 -0.09585 53 3PY -0.12820 -0.05025 0.06196 0.27483 0.06983 54 3PZ -0.07721 -0.02177 -0.13945 0.02425 -0.05993 55 4XX -0.00403 -0.00041 -0.00513 0.00062 -0.01003 56 4YY 0.01540 0.00640 -0.00350 -0.02028 -0.00703 57 4ZZ 0.00533 0.00242 0.00346 0.00179 0.00748 58 4XY -0.00010 0.00004 0.00860 0.00813 0.00211 59 4XZ -0.00067 -0.00041 -0.00242 0.00200 -0.00134 60 4YZ 0.00250 -0.00080 0.00771 -0.00319 0.00636 61 5 H 1S 0.10334 0.05197 0.00686 -0.00521 -0.04074 62 2S 0.09581 0.05555 0.01345 0.00968 -0.05579 63 6 H 1S 0.10330 0.05192 -0.00698 0.00530 -0.04084 64 2S 0.09584 0.05550 -0.01360 -0.00953 -0.05601 65 7 H 1S 0.05621 0.02390 -0.00005 -0.00025 0.12005 66 2S 0.05454 0.01111 -0.00003 -0.00030 0.15193 67 8 O 1S 0.03756 0.01426 0.01753 0.03613 -0.01833 68 2S -0.07471 -0.02610 -0.03951 -0.07273 0.03578 69 2PX 0.04365 0.02405 0.17531 0.06762 -0.13874 70 2PY 0.20933 0.08352 0.09655 0.41191 -0.10510 71 2PZ -0.11665 -0.03155 0.20978 -0.03266 -0.09839 72 3S -0.17882 -0.07437 -0.06314 -0.13346 0.08422 73 3PX 0.02998 0.01458 0.12779 0.04969 -0.09605 74 3PY 0.12870 0.05043 0.06149 0.27497 -0.06857 75 3PZ -0.07687 -0.02147 0.13971 -0.02340 -0.06063 76 4XX -0.00403 -0.00040 0.00513 -0.00059 -0.01005 77 4YY 0.01544 0.00641 0.00345 0.02030 -0.00693 78 4ZZ 0.00532 0.00242 -0.00344 -0.00184 0.00747 79 4XY 0.00010 -0.00002 0.00860 0.00813 -0.00210 80 4XZ -0.00067 -0.00041 0.00243 -0.00198 -0.00135 81 4YZ -0.00248 0.00082 0.00772 -0.00312 -0.00644 82 9 H 1S -0.05865 -0.02633 0.00008 0.00017 -0.10327 83 2S -0.06678 -0.02973 0.00008 0.00018 -0.09891 84 10 C 1S -0.00998 0.01764 -0.01085 0.00564 -0.00509 85 2S 0.02441 -0.04018 0.02199 -0.00838 0.01104 86 2PX -0.02164 0.07903 -0.05001 0.02577 0.06484 87 2PY 0.11426 -0.19118 0.00063 0.00067 -0.08217 88 2PZ 0.06193 -0.09365 0.01760 -0.01639 0.08531 89 3S 0.01827 -0.06650 0.07774 -0.05449 0.01043 90 3PX -0.00344 0.03128 -0.03148 0.02522 0.04003 91 3PY 0.03852 -0.05037 0.01262 -0.00296 -0.03214 92 3PZ 0.02355 -0.02982 0.01982 -0.01912 0.04531 93 4XX -0.00311 0.00315 0.00320 -0.00085 -0.00326 94 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 95 4ZZ -0.00360 0.00916 -0.00062 0.00078 0.00378 96 4XY 0.00092 -0.00115 0.00198 -0.00124 0.00182 97 4XZ 0.00265 -0.00609 -0.00204 0.00114 -0.00289 98 4YZ -0.00074 0.00278 0.00017 0.00078 0.00156 99 11 C 1S -0.00335 -0.00253 -0.00621 0.00443 -0.00776 100 2S 0.00573 0.00649 0.01851 -0.01277 0.01949 101 2PX 0.00229 -0.01316 -0.05232 0.01293 0.09589 102 2PY -0.01316 0.05022 0.13675 -0.05868 0.02120 103 2PZ 0.01540 0.03910 -0.03070 0.01244 0.06721 104 3S 0.01600 0.01071 -0.01232 0.01655 0.01467 105 3PX 0.00148 0.01043 -0.05377 0.02935 0.05670 106 3PY -0.00482 0.00964 0.01680 -0.00958 0.00985 107 3PZ 0.00693 -0.01472 -0.01452 0.00016 0.04220 108 4XX -0.00094 0.00035 0.00515 -0.00166 0.00137 109 4YY 0.00198 -0.00348 -0.00663 0.00266 -0.00410 110 4ZZ -0.00151 0.00078 0.00025 0.00011 -0.00218 111 4XY 0.00434 -0.00588 -0.00127 0.00024 0.00136 112 4XZ -0.00133 -0.00139 -0.00402 0.00236 -0.00623 113 4YZ -0.00222 0.01021 -0.00124 0.00048 0.00249 114 12 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00273 115 2S -0.00755 0.04515 -0.00038 -0.00386 0.00795 116 2PX -0.08141 0.04495 -0.15613 0.08163 -0.08054 117 2PY -0.07395 0.21907 0.01024 -0.00242 -0.04208 118 2PZ 0.00718 -0.16411 -0.09247 0.04280 -0.06545 119 3S -0.00382 0.08484 0.04617 0.00041 -0.00094 120 3PX -0.03287 0.01853 -0.06147 0.02249 -0.03266 121 3PY -0.03473 0.09039 0.04173 -0.01339 -0.01871 122 3PZ 0.01613 -0.08308 -0.06034 0.02688 -0.02480 123 4XX 0.00435 -0.01048 0.00124 -0.00089 0.00330 124 4YY -0.00170 0.00682 -0.00237 0.00079 -0.00059 125 4ZZ -0.00111 -0.00221 -0.00012 0.00015 -0.00286 126 4XY 0.00074 -0.00051 0.01122 -0.00585 0.00004 127 4XZ -0.00446 -0.00228 -0.00668 0.00434 -0.00976 128 4YZ 0.00023 0.00024 0.00379 -0.00185 0.00001 129 13 C 1S 0.00304 -0.02069 0.00250 -0.00129 -0.00271 130 2S -0.00754 0.04517 0.00033 0.00384 0.00791 131 2PX -0.08102 0.04554 0.15593 -0.08121 -0.08083 132 2PY 0.07387 -0.21880 0.01067 -0.00271 0.04213 133 2PZ 0.00721 -0.16446 0.09244 -0.04249 -0.06578 134 3S -0.00358 0.08488 -0.04626 -0.00040 -0.00109 135 3PX -0.03262 0.01877 0.06140 -0.02232 -0.03265 136 3PY 0.03459 -0.09028 0.04187 -0.01349 0.01863 137 3PZ 0.01603 -0.08321 0.06038 -0.02679 -0.02507 138 4XX 0.00434 -0.01049 -0.00121 0.00086 0.00329 139 4YY -0.00171 0.00682 0.00235 -0.00078 -0.00059 140 4ZZ -0.00109 -0.00218 0.00011 -0.00013 -0.00285 141 4XY -0.00071 0.00054 0.01121 -0.00584 -0.00004 142 4XZ -0.00448 -0.00225 0.00668 -0.00430 -0.00979 143 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00003 144 14 C 1S -0.00342 -0.00258 0.00624 -0.00440 -0.00780 145 2S 0.00590 0.00661 -0.01856 0.01271 0.01959 146 2PX 0.00271 -0.01284 0.05244 -0.01335 0.09607 147 2PY 0.01263 -0.05057 0.13681 -0.05858 -0.02145 148 2PZ 0.01557 0.03911 0.03095 -0.01278 0.06742 149 3S 0.01612 0.01091 0.01217 -0.01659 0.01463 150 3PX 0.00169 0.01059 0.05387 -0.02964 0.05664 151 3PY 0.00478 -0.00968 0.01686 -0.00962 -0.00987 152 3PZ 0.00691 -0.01469 0.01459 -0.00033 0.04231 153 4XX -0.00094 0.00034 -0.00514 0.00164 0.00136 154 4YY 0.00195 -0.00345 0.00662 -0.00264 -0.00411 155 4ZZ -0.00150 0.00075 -0.00027 -0.00009 -0.00218 156 4XY -0.00436 0.00588 -0.00129 0.00026 -0.00134 157 4XZ -0.00133 -0.00136 0.00401 -0.00233 -0.00625 158 4YZ 0.00223 -0.01023 -0.00121 0.00048 -0.00250 159 15 C 1S -0.00999 0.01763 0.01081 -0.00560 -0.00513 160 2S 0.02443 -0.04015 -0.02192 0.00830 0.01110 161 2PX -0.02182 0.07869 0.05005 -0.02605 0.06463 162 2PY -0.11440 0.19137 0.00076 0.00024 0.08211 163 2PZ 0.06223 -0.09305 -0.01733 0.01593 0.08561 164 3S 0.01840 -0.06649 -0.07763 0.05444 0.01072 165 3PX -0.00346 0.03122 0.03151 -0.02542 0.03989 166 3PY -0.03873 0.05040 0.01273 -0.00315 0.03212 167 3PZ 0.02366 -0.02967 -0.01967 0.01886 0.04550 168 4XX -0.00311 0.00315 -0.00322 0.00087 -0.00326 169 4YY 0.00325 -0.00571 0.00485 -0.00224 -0.00107 170 4ZZ -0.00360 0.00915 0.00062 -0.00080 0.00377 171 4XY -0.00095 0.00115 0.00196 -0.00122 -0.00182 172 4XZ 0.00264 -0.00609 0.00205 -0.00113 -0.00291 173 4YZ 0.00079 -0.00279 0.00018 0.00079 -0.00156 174 16 H 1S -0.06097 0.11479 -0.01203 0.01064 0.01683 175 2S -0.05765 0.11970 -0.00976 0.00873 0.01669 176 17 H 1S 0.01401 -0.03201 -0.07864 0.03237 -0.02004 177 2S 0.01028 -0.03582 -0.08718 0.02910 -0.02216 178 18 H 1S 0.06100 -0.08532 0.08492 -0.04668 0.05425 179 2S 0.04171 -0.08589 0.09788 -0.06880 0.05654 180 19 H 1S 0.06075 -0.08571 -0.08461 0.04633 0.05432 181 2S 0.04157 -0.08625 -0.09754 0.06844 0.05686 182 20 H 1S 0.01373 -0.03215 0.07866 -0.03227 -0.02014 183 2S 0.00994 -0.03598 0.08720 -0.02895 -0.02225 184 21 H 1S -0.06128 0.11459 0.01197 -0.01069 0.01675 185 2S -0.05793 0.11950 0.00969 -0.00879 0.01661 186 22 H 1S -0.02010 -0.07989 -0.11102 0.05662 -0.05806 187 2S -0.02537 -0.07549 -0.09571 0.05376 -0.06169 188 23 H 1S -0.02000 -0.07957 0.11104 -0.05638 -0.05841 189 2S -0.02528 -0.07521 0.09573 -0.05350 -0.06198 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 1 1 C 1S -0.00396 -0.00534 0.00347 -0.01310 -0.00033 2 2S 0.01442 0.00848 -0.00543 0.03296 0.00339 3 2PX 0.06828 0.04164 -0.04080 0.03639 -0.07715 4 2PY 0.02119 0.01558 -0.07047 0.02280 0.01286 5 2PZ 0.03294 0.00489 -0.01760 -0.00902 -0.10282 6 3S -0.03882 0.03302 -0.01014 0.03765 0.00078 7 3PX 0.06165 0.01591 -0.02915 0.01484 -0.08164 8 3PY 0.04193 0.00393 -0.02059 0.01825 -0.01861 9 3PZ 0.00489 0.02492 -0.01765 0.00816 -0.07167 10 4XX -0.01179 -0.00672 0.00324 -0.01370 -0.00976 11 4YY 0.00248 0.00148 0.00236 0.00226 0.00212 12 4ZZ 0.00723 0.00412 -0.00537 0.00947 0.00523 13 4XY 0.00318 0.00174 0.00108 0.00084 -0.00507 14 4XZ -0.00162 0.00017 0.00258 -0.00410 -0.00508 15 4YZ 0.00351 0.00071 0.00252 -0.00146 -0.00731 16 2 C 1S 0.00395 0.00530 0.00343 -0.01308 0.00060 17 2S -0.01441 -0.00842 -0.00535 0.03295 -0.00384 18 2PX -0.06824 -0.04133 -0.04072 0.03641 0.07348 19 2PY 0.02143 0.01520 0.07047 -0.02273 0.01419 20 2PZ -0.03278 -0.00475 -0.01746 -0.00901 0.09995 21 3S 0.03889 -0.03289 -0.01001 0.03744 -0.00279 22 3PX -0.06154 -0.01569 -0.02903 0.01481 0.07940 23 3PY 0.04197 0.00386 0.02064 -0.01831 -0.01746 24 3PZ -0.00477 -0.02478 -0.01759 0.00800 0.06956 25 4XX 0.01181 0.00669 0.00323 -0.01366 0.00958 26 4YY -0.00250 -0.00149 0.00236 0.00225 -0.00208 27 4ZZ -0.00725 -0.00408 -0.00537 0.00946 -0.00506 28 4XY 0.00319 0.00175 -0.00107 -0.00084 -0.00526 29 4XZ 0.00162 -0.00018 0.00258 -0.00409 0.00501 30 4YZ 0.00352 0.00073 -0.00250 0.00144 -0.00751 31 3 C 1S 0.00001 -0.00002 0.00483 -0.00072 0.00007 32 2S -0.00003 0.00004 -0.01384 0.00373 -0.00016 33 2PX 0.00005 -0.00006 0.03285 -0.07146 -0.00070 34 2PY -0.01500 0.00165 -0.00005 0.00011 0.00728 35 2PZ 0.00010 -0.00021 0.08195 -0.11325 -0.00029 36 3S -0.00002 0.00006 -0.01436 0.00065 -0.00034 37 3PX 0.00002 0.00000 0.00508 -0.00275 -0.00012 38 3PY 0.01074 0.00629 -0.00004 0.00004 0.01238 39 3PZ 0.00006 -0.00004 0.02067 -0.01323 0.00051 40 4XX -0.00001 0.00002 -0.00861 0.01578 0.00017 41 4YY -0.00002 0.00000 -0.00006 0.00385 0.00001 42 4ZZ 0.00003 -0.00002 0.00936 -0.02004 -0.00018 43 4XY 0.00912 0.00345 -0.00001 0.00002 0.00582 44 4XZ 0.00001 0.00000 0.00053 0.00059 0.00000 45 4YZ 0.01719 0.00727 -0.00003 0.00005 0.00599 46 4 O 1S -0.00440 -0.00150 -0.00621 0.00387 0.00227 47 2S 0.00432 0.00459 0.01234 -0.00699 -0.00178 48 2PX 0.17402 0.06330 -0.06128 0.10738 0.07353 49 2PY 0.09797 0.05425 0.03243 -0.00048 0.00173 50 2PZ 0.24705 0.11995 -0.06075 0.16879 0.07663 51 3S 0.03614 -0.00568 0.02746 -0.02273 -0.02542 52 3PX 0.13304 0.04313 -0.04371 0.07761 0.06192 53 3PY 0.06133 0.03925 0.02182 0.00018 0.00655 54 3PZ 0.16752 0.08439 -0.04214 0.12583 0.06777 55 4XX 0.00450 0.00314 -0.00401 0.00662 -0.00118 56 4YY -0.00624 -0.00195 -0.00166 0.00057 0.00068 57 4ZZ -0.00322 -0.00024 0.00221 -0.00374 0.00432 58 4XY -0.00615 -0.00148 0.00085 -0.00286 -0.00251 59 4XZ 0.00109 0.00037 -0.00081 0.00132 -0.00043 60 4YZ -0.01006 -0.00529 0.00312 -0.00634 -0.00291 61 5 H 1S 0.01301 0.01738 -0.03249 0.04370 0.06525 62 2S 0.00234 0.01925 -0.03081 0.03407 0.07048 63 6 H 1S -0.01321 -0.01720 -0.03246 0.04361 -0.06491 64 2S -0.00251 -0.01905 -0.03075 0.03388 -0.06951 65 7 H 1S 0.00006 -0.00017 0.05915 -0.10843 -0.00085 66 2S 0.00006 -0.00022 0.07279 -0.14170 -0.00155 67 8 O 1S 0.00438 0.00154 -0.00621 0.00386 -0.00237 68 2S -0.00427 -0.00466 0.01233 -0.00699 0.00188 69 2PX -0.17430 -0.06310 -0.06101 0.10701 -0.07010 70 2PY 0.09826 0.05460 -0.03251 0.00039 0.00137 71 2PZ -0.24697 -0.11943 -0.06044 0.16819 -0.07259 72 3S -0.03598 0.00553 0.02750 -0.02260 0.02654 73 3PX -0.13322 -0.04299 -0.04349 0.07736 -0.05909 74 3PY 0.06152 0.03948 -0.02188 -0.00022 0.00644 75 3PZ -0.16749 -0.08403 -0.04193 0.12539 -0.06450 76 4XX -0.00451 -0.00312 -0.00400 0.00661 0.00113 77 4YY 0.00626 0.00198 -0.00166 0.00056 -0.00074 78 4ZZ 0.00320 0.00021 0.00220 -0.00374 -0.00436 79 4XY -0.00616 -0.00148 -0.00084 0.00285 -0.00238 80 4XZ -0.00109 -0.00036 -0.00081 0.00131 0.00042 81 4YZ -0.01006 -0.00527 -0.00311 0.00633 -0.00284 82 9 H 1S -0.00007 0.00010 -0.04717 0.08542 0.00086 83 2S -0.00006 0.00011 -0.05044 0.11073 0.00136 84 10 C 1S -0.00475 -0.00272 -0.00197 -0.01118 0.00588 85 2S 0.00544 0.01587 0.00794 0.02342 -0.01956 86 2PX 0.04959 -0.14850 -0.00130 0.19364 -0.12106 87 2PY 0.00478 -0.01705 0.21059 0.00886 0.02898 88 2PZ -0.05550 0.12134 -0.02462 0.20507 -0.15206 89 3S 0.04963 -0.07021 -0.00330 0.05538 0.04911 90 3PX 0.00336 -0.02658 0.00304 0.12762 -0.12198 91 3PY 0.02043 -0.04065 0.07787 -0.00533 0.07363 92 3PZ -0.00518 0.00322 -0.02224 0.13569 -0.09206 93 4XX 0.00024 0.00151 -0.00351 -0.00666 0.01016 94 4YY -0.00208 0.00042 0.00856 0.00363 -0.00345 95 4ZZ 0.00242 -0.00733 -0.00766 0.00067 -0.00533 96 4XY -0.00501 0.01189 0.00294 0.00787 0.00664 97 4XZ -0.00311 0.00451 0.00651 0.00105 -0.00073 98 4YZ 0.00529 -0.00991 -0.00311 0.00357 0.01170 99 11 C 1S -0.01042 -0.00116 0.00074 0.01246 -0.01316 100 2S 0.02693 -0.00317 -0.00768 -0.02320 0.02820 101 2PX -0.08886 0.10029 -0.06170 0.12504 -0.25620 102 2PY 0.05331 -0.02302 -0.18180 -0.07747 0.08078 103 2PZ 0.10143 -0.23177 -0.05644 0.04057 -0.15969 104 3S 0.02191 0.05067 0.02046 -0.06272 0.04090 105 3PX -0.04284 0.04285 -0.02745 0.07272 -0.19388 106 3PY 0.01127 0.02989 -0.04893 -0.05947 0.02245 107 3PZ 0.03848 -0.09627 -0.02327 0.03575 -0.14666 108 4XX -0.00064 0.00142 -0.00776 0.01106 -0.00733 109 4YY -0.00224 0.00266 0.02072 0.00379 -0.00181 110 4ZZ 0.00156 -0.00578 -0.00930 -0.01077 0.00818 111 4XY -0.00277 0.00456 0.00176 0.00378 -0.00203 112 4XZ -0.00614 -0.00380 0.00470 0.00194 0.00289 113 4YZ 0.00325 -0.00689 0.00269 0.00449 -0.00139 114 12 C 1S -0.01000 0.00304 -0.00648 0.00204 -0.00762 115 2S 0.02399 -0.00989 0.01907 -0.00729 0.00957 116 2PX -0.14175 -0.16967 0.00730 -0.05510 0.07897 117 2PY -0.01337 0.00978 0.27373 0.09266 0.01330 118 2PZ -0.17306 0.18133 0.03503 0.01715 0.03477 119 3S 0.05249 -0.02789 0.00786 -0.01562 0.09940 120 3PX -0.07491 -0.08643 0.00310 -0.01740 0.04024 121 3PY -0.01199 -0.00248 0.13289 0.06106 0.01258 122 3PZ -0.06061 0.11410 0.03315 -0.01008 0.01859 123 4XX -0.00130 0.00941 -0.00759 0.00247 -0.00623 124 4YY -0.00038 -0.00084 0.01218 0.00278 -0.00396 125 4ZZ -0.00065 -0.00559 -0.00678 -0.00718 0.00913 126 4XY 0.00983 0.01125 -0.00067 -0.00032 -0.00313 127 4XZ -0.00980 -0.00249 0.00308 -0.00570 0.01272 128 4YZ 0.01005 -0.01133 0.00381 0.00206 -0.00325 129 13 C 1S 0.00999 -0.00301 -0.00650 0.00205 0.00742 130 2S -0.02395 0.00980 0.01914 -0.00735 -0.00909 131 2PX 0.14200 0.16969 0.00778 -0.05491 -0.07881 132 2PY -0.01402 0.01098 -0.27371 -0.09276 0.01312 133 2PZ 0.17319 -0.18142 0.03376 0.01729 -0.03549 134 3S -0.05245 0.02785 0.00799 -0.01553 -0.09872 135 3PX 0.07500 0.08641 0.00330 -0.01724 -0.04001 136 3PY -0.01225 -0.00184 -0.13289 -0.06116 0.01252 137 3PZ 0.06070 -0.11423 0.03254 -0.01019 -0.01916 138 4XX 0.00130 -0.00940 -0.00761 0.00246 0.00616 139 4YY 0.00038 0.00084 0.01219 0.00278 0.00401 140 4ZZ 0.00066 0.00559 -0.00679 -0.00717 -0.00916 141 4XY 0.00981 0.01124 0.00067 0.00034 -0.00311 142 4XZ 0.00984 0.00255 0.00308 -0.00569 -0.01280 143 4YZ 0.01005 -0.01132 -0.00383 -0.00202 -0.00326 144 14 C 1S 0.01045 0.00120 0.00070 0.01250 0.01316 145 2S -0.02700 0.00310 -0.00761 -0.02323 -0.02798 146 2PX 0.08831 -0.10025 -0.06225 0.12499 0.25664 147 2PY 0.05385 -0.02395 0.18183 0.07740 0.08085 148 2PZ -0.10188 0.23184 -0.05518 0.04033 0.16023 149 3S -0.02203 -0.05086 0.02052 -0.06306 -0.04194 150 3PX 0.04254 -0.04290 -0.02764 0.07265 0.19400 151 3PY 0.01143 0.02954 0.04901 0.05959 0.02299 152 3PZ -0.03871 0.09635 -0.02279 0.03563 0.14737 153 4XX 0.00064 -0.00141 -0.00778 0.01108 0.00713 154 4YY 0.00227 -0.00269 0.02072 0.00379 0.00187 155 4ZZ -0.00156 0.00579 -0.00930 -0.01078 -0.00808 156 4XY -0.00278 0.00455 -0.00178 -0.00378 -0.00204 157 4XZ 0.00615 0.00382 0.00469 0.00194 -0.00297 158 4YZ 0.00327 -0.00689 -0.00265 -0.00445 -0.00137 159 15 C 1S 0.00477 0.00273 -0.00195 -0.01122 -0.00593 160 2S -0.00548 -0.01589 0.00788 0.02352 0.01976 161 2PX -0.05009 0.14865 -0.00047 0.19328 0.11828 162 2PY 0.00417 -0.01628 -0.21060 -0.00894 0.02855 163 2PZ 0.05499 -0.12127 -0.02537 0.20524 0.15020 164 3S -0.04964 0.07021 -0.00317 0.05566 -0.04865 165 3PX -0.00367 0.02667 0.00331 0.12740 0.11968 166 3PY 0.02026 -0.04047 -0.07796 0.00520 0.07355 167 3PZ 0.00492 -0.00323 -0.02240 0.13578 0.09078 168 4XX -0.00021 -0.00153 -0.00352 -0.00664 -0.01021 169 4YY 0.00207 -0.00039 0.00855 0.00362 0.00346 170 4ZZ -0.00243 0.00732 -0.00762 0.00065 0.00540 171 4XY -0.00501 0.01191 -0.00291 -0.00791 0.00670 172 4XZ 0.00311 -0.00450 0.00648 0.00104 0.00070 173 4YZ 0.00531 -0.00994 0.00311 -0.00355 0.01178 174 16 H 1S 0.05617 -0.12065 -0.06952 -0.02882 0.02582 175 2S 0.06629 -0.15105 -0.08140 -0.03221 0.05060 176 17 H 1S -0.02680 0.02542 0.15226 0.03725 -0.02175 177 2S -0.04149 0.03552 0.16884 0.04314 -0.05180 178 18 H 1S 0.06152 0.13920 -0.06434 0.01834 -0.06726 179 2S 0.01786 0.12497 -0.06718 0.04699 -0.11819 180 19 H 1S -0.06162 -0.13916 -0.06468 0.01828 0.06717 181 2S -0.01799 -0.12494 -0.06762 0.04703 0.11844 182 20 H 1S 0.02706 -0.02581 0.15222 0.03718 0.02202 183 2S 0.04179 -0.03591 0.16874 0.04302 0.05207 184 21 H 1S -0.05630 0.12082 -0.06905 -0.02900 -0.02586 185 2S -0.06645 0.15124 -0.08084 -0.03241 -0.05063 186 22 H 1S -0.14060 0.00359 -0.03750 -0.04884 0.08641 187 2S -0.14960 -0.00205 -0.04284 -0.04245 0.10142 188 23 H 1S 0.14069 -0.00323 -0.03772 -0.04866 -0.08672 189 2S 0.14969 0.00245 -0.04306 -0.04218 -0.10219 41 42 43 44 45 O V V V V Eigenvalues -- -0.18559 -0.00698 0.01019 0.08378 0.11232 1 1 C 1S -0.01568 -0.01134 -0.05227 0.01391 -0.00955 2 2S 0.02654 0.03711 0.11204 -0.04165 0.00079 3 2PX 0.21938 0.15683 0.23837 -0.01564 0.06802 4 2PY 0.08627 0.03319 0.07446 -0.03087 0.05601 5 2PZ 0.17624 0.09742 0.21038 0.03477 -0.11985 6 3S 0.11610 -0.00440 0.27522 -0.14111 0.29374 7 3PX 0.14267 0.20087 0.31651 -0.07910 0.14900 8 3PY 0.07590 0.00623 0.23626 -0.04991 0.12569 9 3PZ 0.13537 0.07908 0.11761 0.10453 -0.27828 10 4XX 0.00828 -0.00551 -0.00427 0.00188 0.00358 11 4YY -0.00088 0.00101 -0.00408 -0.00078 -0.00562 12 4ZZ -0.01022 -0.00180 -0.00641 0.00346 -0.00125 13 4XY -0.01167 -0.01377 0.01133 0.00153 -0.00285 14 4XZ 0.00276 -0.01147 0.00568 0.00155 -0.00415 15 4YZ -0.01264 -0.01073 0.00810 -0.00259 0.01276 16 2 C 1S -0.01555 -0.01199 0.05198 0.01388 -0.00966 17 2S 0.02621 0.03857 -0.11127 -0.04163 0.00113 18 2PX 0.22060 0.16054 -0.23620 -0.01560 0.06720 19 2PY -0.08637 -0.03447 0.07417 0.03080 -0.05615 20 2PZ 0.17793 0.10072 -0.20915 0.03482 -0.11981 21 3S 0.11560 -0.00127 -0.27446 -0.14060 0.29370 22 3PX 0.14405 0.20526 -0.31364 -0.07928 0.14828 23 3PY -0.07635 -0.00929 0.23628 0.04988 -0.12700 24 3PZ 0.13672 0.08093 -0.11650 0.10461 -0.27861 25 4XX 0.00848 -0.00552 0.00417 0.00188 0.00358 26 4YY -0.00095 0.00093 0.00405 -0.00080 -0.00555 27 4ZZ -0.01026 -0.00186 0.00642 0.00347 -0.00131 28 4XY 0.01157 0.01360 0.01154 -0.00153 0.00289 29 4XZ 0.00286 -0.01135 -0.00582 0.00154 -0.00409 30 4YZ 0.01251 0.01059 0.00822 0.00258 -0.01278 31 3 C 1S -0.00840 0.00000 0.00001 0.05870 0.04877 32 2S 0.02051 0.00330 0.00002 -0.10857 -0.07175 33 2PX 0.07240 0.00107 -0.00002 0.05305 0.05283 34 2PY 0.00005 -0.00039 0.06588 0.00021 -0.00075 35 2PZ 0.02598 -0.02193 -0.00015 -0.19214 -0.16873 36 3S 0.04374 -0.02249 -0.00030 -0.80841 -0.80831 37 3PX 0.01173 0.01857 0.00013 0.17787 0.14553 38 3PY 0.00018 -0.00070 0.11953 0.00058 -0.00186 39 3PZ -0.05634 -0.04081 -0.00022 -0.48231 -0.43507 40 4XX -0.01839 -0.00012 0.00001 0.01075 0.00339 41 4YY -0.00229 -0.00337 -0.00001 0.00118 -0.00217 42 4ZZ 0.01982 0.00331 0.00001 0.00492 0.00639 43 4XY 0.00004 0.00010 -0.01363 -0.00001 0.00005 44 4XZ 0.00044 0.00052 0.00000 0.00824 0.00557 45 4YZ 0.00002 0.00005 -0.00627 0.00000 -0.00006 46 4 O 1S 0.00601 -0.00585 0.01753 0.01155 -0.00925 47 2S -0.00551 0.00853 -0.04324 -0.03194 0.01021 48 2PX -0.18522 -0.01513 -0.12507 -0.01591 0.06012 49 2PY -0.02644 -0.01484 0.01591 0.01249 -0.02742 50 2PZ -0.21651 -0.08004 -0.08242 0.00357 -0.00474 51 3S -0.06543 0.07447 -0.11149 -0.11299 0.12327 52 3PX -0.15567 -0.00434 -0.10850 -0.03679 0.06983 53 3PY -0.01168 -0.02614 0.00814 0.07042 -0.05183 54 3PZ -0.17739 -0.09713 -0.09588 0.04667 0.02255 55 4XX 0.00409 0.00177 0.01485 -0.00272 -0.00467 56 4YY 0.00348 -0.00088 -0.00164 -0.00301 -0.00385 57 4ZZ 0.00108 -0.00587 -0.00727 -0.00046 -0.00329 58 4XY 0.00703 -0.00055 0.00326 0.00058 0.00353 59 4XZ 0.00027 -0.00119 -0.00157 0.01157 0.00509 60 4YZ 0.00292 -0.00123 0.00245 0.00326 0.00295 61 5 H 1S -0.00933 0.02462 -0.06317 0.00918 -0.03347 62 2S -0.03967 0.06222 -0.35354 0.28058 -0.60334 63 6 H 1S -0.01037 0.02367 0.06331 0.00915 -0.03371 64 2S -0.04072 0.05746 0.35392 0.28051 -0.60501 65 7 H 1S 0.08856 0.01615 0.00009 0.02913 0.04102 66 2S 0.16268 0.08581 0.00070 0.84971 0.84376 67 8 O 1S 0.00596 -0.00563 -0.01761 0.01155 -0.00889 68 2S -0.00546 0.00795 0.04335 -0.03191 0.00963 69 2PX -0.18638 -0.01714 0.12498 -0.01593 0.06035 70 2PY 0.02682 0.01480 0.01600 -0.01249 0.02696 71 2PZ -0.21767 -0.08141 0.08152 0.00351 -0.00499 72 3S -0.06501 0.07318 0.11263 -0.11305 0.11932 73 3PX -0.15670 -0.00607 0.10861 -0.03686 0.07027 74 3PY 0.01207 0.02627 0.00837 -0.07050 0.05078 75 3PZ -0.17844 -0.09865 0.09470 0.04655 0.02208 76 4XX 0.00412 0.00198 -0.01483 -0.00271 -0.00453 77 4YY 0.00348 -0.00091 0.00162 -0.00299 -0.00380 78 4ZZ 0.00100 -0.00599 0.00721 -0.00046 -0.00315 79 4XY -0.00707 0.00050 0.00326 -0.00060 -0.00354 80 4XZ 0.00027 -0.00121 0.00156 0.01157 0.00503 81 4YZ -0.00295 0.00121 0.00246 -0.00326 -0.00296 82 9 H 1S -0.09040 -0.00387 0.00000 0.03350 0.02902 83 2S -0.14839 -0.00365 0.00006 0.46159 0.43009 84 10 C 1S 0.00200 -0.00463 0.00657 0.02285 -0.02048 85 2S -0.01005 0.00473 -0.01370 -0.05095 0.02323 86 2PX 0.15235 -0.11914 -0.20430 -0.04002 0.07632 87 2PY -0.02304 0.03529 0.00609 0.03599 -0.05703 88 2PZ 0.11109 -0.10209 -0.15847 0.02650 -0.09760 89 3S -0.02395 0.03335 0.00436 -0.24376 0.42103 90 3PX 0.12781 -0.17085 -0.30162 -0.08837 0.15541 91 3PY -0.00637 0.02109 0.06013 0.06185 -0.11735 92 3PZ 0.08322 -0.14889 -0.17153 0.09401 -0.19309 93 4XX 0.00261 -0.01610 -0.00003 -0.00056 0.00123 94 4YY -0.00192 0.00378 0.00177 -0.00388 -0.00096 95 4ZZ -0.00273 0.00939 0.00085 0.00529 -0.00297 96 4XY 0.00503 -0.00838 0.01068 -0.00492 0.00731 97 4XZ 0.00084 0.00541 -0.00094 -0.00230 0.00122 98 4YZ 0.00569 -0.01380 0.00894 0.00595 -0.00807 99 11 C 1S 0.00459 0.02869 -0.00858 0.02362 -0.04190 100 2S -0.02193 -0.05192 0.04344 -0.04898 0.06233 101 2PX -0.03930 0.29309 -0.00559 0.00137 -0.03396 102 2PY 0.00710 -0.09330 0.01608 0.07474 -0.08526 103 2PZ -0.02700 0.18161 -0.01030 0.00276 -0.01104 104 3S 0.04352 -0.21235 -0.08756 -0.26231 0.59819 105 3PX -0.01704 0.37290 0.00166 -0.00382 -0.12853 106 3PY 0.03929 -0.10292 -0.02789 0.16936 -0.23963 107 3PZ -0.04599 0.21559 -0.03550 0.04913 0.06905 108 4XX 0.01118 -0.00006 -0.01991 -0.00063 -0.00326 109 4YY -0.00296 0.00191 0.00423 0.00823 -0.00911 110 4ZZ -0.00563 0.00736 0.01359 -0.00330 0.00292 111 4XY -0.00116 -0.00501 0.00000 0.00250 -0.00054 112 4XZ 0.00524 0.00390 -0.00874 0.00656 0.00082 113 4YZ 0.00006 -0.00468 0.00022 0.00385 0.00171 114 12 C 1S 0.01149 -0.01401 -0.01553 0.05242 0.00924 115 2S -0.02694 0.02537 0.03250 -0.07735 -0.00302 116 2PX -0.00676 0.01011 0.02065 0.09422 0.10187 117 2PY -0.00750 0.01813 -0.02705 0.05160 0.02541 118 2PZ 0.04322 -0.02584 -0.05427 -0.08088 0.00531 119 3S -0.03811 0.12905 0.14474 -0.73848 -0.26555 120 3PX -0.01301 0.01185 0.05410 0.18146 0.21131 121 3PY -0.00252 -0.01316 -0.04797 0.19730 0.15854 122 3PZ 0.03384 -0.01938 -0.04204 -0.16062 0.07315 123 4XX 0.00177 0.00654 -0.00238 0.01073 0.00045 124 4YY -0.00258 0.00564 0.00085 -0.00367 -0.00068 125 4ZZ 0.00276 -0.01497 0.00064 0.00226 -0.00185 126 4XY -0.00042 -0.00585 -0.00105 0.00322 0.00055 127 4XZ 0.00404 -0.01387 -0.00256 -0.00026 -0.00081 128 4YZ -0.00102 0.00202 0.00228 -0.00682 0.00837 129 13 C 1S 0.01164 -0.01421 0.01532 0.05242 0.00914 130 2S -0.02713 0.02581 -0.03211 -0.07737 -0.00297 131 2PX -0.00806 0.01045 -0.02035 0.09417 0.10176 132 2PY 0.00762 -0.01767 -0.02746 -0.05147 -0.02517 133 2PZ 0.04283 -0.02673 0.05399 -0.08105 0.00519 134 3S -0.04016 0.13079 -0.14289 -0.73824 -0.26379 135 3PX -0.01371 0.01261 -0.05363 0.18147 0.21119 136 3PY 0.00271 0.01388 -0.04796 -0.19719 -0.15815 137 3PZ 0.03364 -0.02032 0.04190 -0.16150 0.07231 138 4XX 0.00189 0.00646 0.00249 0.01073 0.00045 139 4YY -0.00252 0.00567 -0.00077 -0.00370 -0.00065 140 4ZZ 0.00259 -0.01493 -0.00087 0.00229 -0.00190 141 4XY 0.00037 0.00589 -0.00097 -0.00322 -0.00054 142 4XZ 0.00382 -0.01389 0.00232 -0.00026 -0.00083 143 4YZ 0.00097 -0.00203 0.00224 0.00681 -0.00837 144 14 C 1S 0.00484 0.02867 0.00902 0.02361 -0.04187 145 2S -0.02250 -0.05143 -0.04420 -0.04889 0.06228 146 2PX -0.03482 0.29260 0.00983 0.00123 -0.03358 147 2PY -0.00567 0.09296 0.01747 -0.07479 0.08545 148 2PZ -0.02428 0.18147 0.01306 0.00250 -0.01060 149 3S 0.04298 -0.21459 0.08420 -0.26277 0.59775 150 3PX -0.01332 0.37254 0.00418 -0.00411 -0.12764 151 3PY -0.03909 0.10329 -0.02623 -0.16916 0.24008 152 3PZ -0.04348 0.21513 0.03909 0.04857 0.06950 153 4XX 0.01134 -0.00031 0.01995 -0.00061 -0.00327 154 4YY -0.00293 0.00198 -0.00423 0.00824 -0.00911 155 4ZZ -0.00578 0.00756 -0.01347 -0.00333 0.00294 156 4XY 0.00114 0.00500 0.00009 -0.00253 0.00057 157 4XZ 0.00522 0.00379 0.00883 0.00655 0.00085 158 4YZ -0.00006 0.00467 0.00032 -0.00383 -0.00171 159 15 C 1S 0.00189 -0.00456 -0.00667 0.02283 -0.02043 160 2S -0.00964 0.00457 0.01382 -0.05093 0.02310 161 2PX 0.15460 -0.12171 0.20255 -0.03982 0.07612 162 2PY 0.02355 -0.03533 0.00562 -0.03603 0.05723 163 2PZ 0.11397 -0.10415 0.15706 0.02658 -0.09759 164 3S -0.02523 0.03368 -0.00343 -0.24315 0.42070 165 3PX 0.13037 -0.17459 0.29897 -0.08818 0.15474 166 3PY 0.00783 -0.02187 0.06001 -0.06211 0.11742 167 3PZ 0.08484 -0.15090 0.16943 0.09436 -0.19313 168 4XX 0.00243 -0.01610 -0.00024 -0.00056 0.00122 169 4YY -0.00185 0.00377 -0.00172 -0.00385 -0.00098 170 4ZZ -0.00265 0.00943 -0.00068 0.00527 -0.00294 171 4XY -0.00490 0.00821 0.01080 0.00494 -0.00732 172 4XZ 0.00086 0.00538 0.00104 -0.00229 0.00122 173 4YZ -0.00548 0.01367 0.00914 -0.00596 0.00807 174 16 H 1S 0.00364 -0.02140 0.01075 0.02993 -0.02734 175 2S 0.00449 -0.06295 0.06694 0.37801 -0.61095 176 17 H 1S -0.01320 0.01321 0.01339 0.02887 -0.02883 177 2S -0.00736 0.05533 0.01314 0.42879 -0.62072 178 18 H 1S -0.00281 0.02846 -0.00525 0.03639 0.00733 179 2S -0.02661 0.04318 -0.00599 0.67008 0.35041 180 19 H 1S -0.00162 0.02825 0.00575 0.03637 0.00737 181 2S -0.02443 0.04305 0.00705 0.67029 0.34952 182 20 H 1S -0.01287 0.01348 -0.01330 0.02887 -0.02889 183 2S -0.00642 0.05575 -0.01271 0.42863 -0.62118 184 21 H 1S 0.00316 -0.02122 -0.01108 0.02991 -0.02737 185 2S 0.00345 -0.06200 -0.06809 0.37794 -0.61051 186 22 H 1S 0.02036 -0.06084 -0.01334 0.01245 -0.01623 187 2S 0.05070 -0.19991 -0.10003 0.34448 -0.17616 188 23 H 1S 0.01893 -0.06091 0.01234 0.01249 -0.01636 189 2S 0.04906 -0.20086 0.09650 0.34464 -0.17685 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12248 0.12316 0.13517 0.14425 1 1 C 1S -0.04796 0.00491 0.00401 0.02431 0.04040 2 2S 0.10840 -0.00122 -0.02671 -0.02947 -0.08354 3 2PX 0.06084 -0.25451 -0.05578 -0.06618 0.11924 4 2PY 0.09216 0.04968 -0.01078 -0.09799 -0.05146 5 2PZ 0.10902 -0.05489 0.08230 0.17949 -0.10529 6 3S 0.37771 -0.13764 -0.06823 -0.53951 -0.47098 7 3PX 0.18671 -0.44653 -0.13467 -0.22662 0.28760 8 3PY 0.15635 0.23045 -0.04988 -0.24427 -0.21800 9 3PZ -0.02153 -0.06527 0.19400 0.38863 -0.20389 10 4XX -0.00751 0.00229 -0.00630 0.00002 0.00838 11 4YY 0.00149 0.00780 -0.00067 0.00531 -0.01140 12 4ZZ -0.00681 -0.00130 0.00661 0.00095 0.00474 13 4XY -0.00017 -0.01170 0.00464 0.01084 -0.01370 14 4XZ 0.00114 0.00927 0.00735 -0.00080 -0.01368 15 4YZ 0.00259 -0.00046 -0.01330 -0.01508 0.01043 16 2 C 1S 0.04789 -0.00470 0.00467 0.02440 0.04000 17 2S -0.10809 -0.00020 -0.02769 -0.02962 -0.08312 18 2PX -0.06010 0.25059 -0.07015 -0.06650 0.11882 19 2PY 0.09229 0.05003 0.00870 0.09748 0.05139 20 2PZ -0.10936 0.05930 0.07794 0.18002 -0.10652 21 3S -0.37735 0.13426 -0.07844 -0.54105 -0.46280 22 3PX -0.18513 0.43761 -0.16054 -0.22830 0.28799 23 3PY 0.15621 0.23231 0.03792 0.24308 0.21974 24 3PZ 0.02044 0.07592 0.18927 0.39014 -0.20870 25 4XX 0.00754 -0.00259 -0.00612 0.00003 0.00829 26 4YY -0.00150 -0.00781 -0.00032 0.00529 -0.01142 27 4ZZ 0.00676 0.00164 0.00663 0.00099 0.00471 28 4XY -0.00010 -0.01200 -0.00400 -0.01081 0.01374 29 4XZ -0.00127 -0.00886 0.00783 -0.00083 -0.01363 30 4YZ 0.00249 0.00023 0.01332 0.01507 -0.01039 31 3 C 1S 0.00007 0.00040 0.00920 0.05795 0.06461 32 2S 0.00001 -0.00138 -0.04195 -0.09734 -0.09105 33 2PX -0.00037 0.00222 0.09011 0.07808 0.24174 34 2PY 0.22825 0.34638 -0.00844 -0.00052 0.00021 35 2PZ -0.00003 0.00094 0.03450 0.03547 0.13735 36 3S -0.00122 -0.00456 -0.08838 -0.79211 -0.99122 37 3PX -0.00136 0.00845 0.33385 0.13275 0.61774 38 3PY 0.62490 0.88974 -0.02146 -0.00139 0.00065 39 3PZ 0.00003 0.00191 0.07162 0.07109 0.31627 40 4XX -0.00001 0.00012 0.00473 0.00394 0.01355 41 4YY -0.00002 0.00002 0.00131 0.00812 -0.00621 42 4ZZ 0.00004 -0.00005 -0.00352 0.00275 0.00523 43 4XY -0.01713 -0.01392 0.00030 0.00002 0.00001 44 4XZ -0.00004 0.00010 0.00444 -0.00494 -0.00597 45 4YZ 0.01048 0.02308 -0.00058 -0.00002 -0.00002 46 4 O 1S 0.04216 0.06585 0.01700 0.00207 -0.04978 47 2S -0.06929 -0.08930 -0.03062 -0.01859 0.07540 48 2PX 0.00225 0.09234 -0.07984 -0.07952 0.09373 49 2PY 0.07117 0.08688 0.04723 -0.00020 -0.07180 50 2PZ -0.07569 -0.04126 0.01191 0.03774 -0.10752 51 3S -0.44507 -0.82038 -0.21643 -0.00076 0.59717 52 3PX 0.05197 0.12840 -0.12910 -0.14108 0.12555 53 3PY 0.13367 0.21953 0.10080 0.01994 -0.15222 54 3PZ -0.13517 -0.06263 0.01558 0.05147 -0.20037 55 4XX 0.02416 0.02297 0.00526 -0.00593 -0.02159 56 4YY 0.00310 0.01305 -0.00034 -0.00298 -0.01105 57 4ZZ 0.01335 0.03619 0.00482 -0.00768 -0.01767 58 4XY -0.00076 0.00027 -0.00396 -0.00726 -0.00873 59 4XZ -0.00910 -0.00766 0.00555 0.00309 0.00243 60 4YZ 0.00293 0.00170 -0.00262 0.00064 -0.00281 61 5 H 1S -0.04698 -0.03116 0.03888 0.05621 -0.00901 62 2S -0.41399 -0.10867 0.35619 0.94645 0.08751 63 6 H 1S 0.04670 0.03341 0.03748 0.05614 -0.00890 64 2S 0.41189 0.12668 0.35215 0.94814 0.08015 65 7 H 1S 0.00011 -0.00031 -0.01378 0.00903 0.02091 66 2S 0.00174 -0.00208 -0.15951 0.24456 -0.09552 67 8 O 1S -0.04237 -0.06482 0.02017 0.00226 -0.04990 68 2S 0.06962 0.08744 -0.03481 -0.01878 0.07554 69 2PX -0.00164 -0.09684 -0.07459 -0.07927 0.09366 70 2PY 0.07162 0.08430 -0.05130 0.00001 0.07173 71 2PZ 0.07566 0.04244 0.01026 0.03732 -0.10659 72 3S 0.44781 0.80746 -0.25661 -0.00347 0.59912 73 3PX -0.05097 -0.13575 -0.12213 -0.14077 0.12569 74 3PY 0.13458 0.21396 -0.11141 -0.02075 0.15284 75 3PZ 0.13524 0.06459 0.01326 0.05099 -0.19907 76 4XX -0.02423 -0.02265 0.00628 -0.00584 -0.02162 77 4YY -0.00313 -0.01306 0.00033 -0.00291 -0.01113 78 4ZZ -0.01344 -0.03589 0.00667 -0.00760 -0.01768 79 4XY -0.00080 0.00045 0.00393 0.00724 0.00875 80 4XZ 0.00906 0.00796 0.00521 0.00310 0.00241 81 4YZ 0.00293 0.00186 0.00254 -0.00064 0.00284 82 9 H 1S -0.00003 0.00034 0.01439 0.00763 0.07889 83 2S -0.00106 0.01260 0.46007 0.59994 1.41894 84 10 C 1S -0.01458 0.01240 -0.03585 -0.01151 0.01712 85 2S 0.02908 -0.03551 0.05405 0.02272 -0.04574 86 2PX 0.20623 -0.06322 0.04076 0.04240 0.01119 87 2PY 0.01548 -0.01368 -0.04932 -0.01754 0.02850 88 2PZ 0.17869 -0.06886 -0.10076 0.00501 0.07734 89 3S 0.08221 -0.06041 0.55185 0.13648 -0.28236 90 3PX 0.36919 -0.17021 0.10214 0.06036 -0.03928 91 3PY -0.00866 0.03022 -0.19898 -0.03558 0.12885 92 3PZ 0.25939 -0.10065 -0.20852 -0.02203 0.10415 93 4XX 0.00913 -0.00581 -0.00652 -0.00171 0.00608 94 4YY -0.00706 0.00504 0.00440 0.00138 -0.00417 95 4ZZ -0.00667 0.00204 -0.00552 -0.00080 -0.00411 96 4XY -0.00975 0.00328 0.00591 0.00813 -0.00192 97 4XZ -0.00166 0.00412 0.00379 0.00212 0.00251 98 4YZ -0.00494 0.00040 -0.00980 0.00140 0.00319 99 11 C 1S -0.01239 0.01036 0.00368 -0.00793 -0.01032 100 2S 0.02188 -0.01840 -0.01637 0.02423 0.01509 101 2PX -0.20674 0.13248 0.04017 -0.02630 -0.03343 102 2PY 0.06504 -0.07702 -0.06145 -0.02490 0.00111 103 2PZ -0.09806 0.06674 -0.02344 -0.02577 0.01715 104 3S 0.13103 -0.08959 -0.00213 0.04108 0.14830 105 3PX -0.26597 0.25827 0.07029 -0.11179 0.05412 106 3PY 0.14021 -0.21775 -0.13178 -0.09243 -0.02362 107 3PZ -0.14773 0.01055 0.04784 -0.18941 -0.00203 108 4XX 0.00750 -0.00118 0.00527 -0.00037 -0.00389 109 4YY 0.00259 -0.00300 -0.00856 -0.00710 0.00506 110 4ZZ -0.01372 0.00794 0.00130 0.00659 -0.00246 111 4XY 0.00791 -0.00743 -0.01032 0.00576 -0.00284 112 4XZ -0.00238 0.00411 -0.00499 -0.00069 -0.00052 113 4YZ 0.00727 -0.00379 0.00086 0.00432 -0.00349 114 12 C 1S -0.00834 -0.02029 0.01922 -0.03948 -0.00572 115 2S 0.00755 0.00448 -0.01728 0.04344 0.00163 116 2PX -0.04462 -0.02928 -0.11867 0.11356 -0.09461 117 2PY 0.05802 -0.05224 0.02762 -0.06765 -0.01973 118 2PZ 0.02659 0.00802 -0.14070 0.08802 0.01785 119 3S 0.13232 0.43594 -0.41206 0.70418 0.14879 120 3PX -0.14747 -0.09385 -0.33953 0.30811 -0.28171 121 3PY 0.15391 -0.09659 0.14093 -0.19247 -0.03899 122 3PZ 0.04854 -0.02203 -0.36360 0.20475 0.03968 123 4XX -0.00363 0.00013 0.00590 -0.00340 -0.00487 124 4YY -0.00717 0.00136 0.00088 -0.00205 -0.00166 125 4ZZ 0.00924 -0.00881 -0.00191 -0.00286 0.00395 126 4XY 0.00512 -0.00151 -0.01135 0.00253 -0.00577 127 4XZ 0.00811 -0.00705 0.01302 0.00043 -0.00028 128 4YZ -0.00191 0.00056 -0.00401 0.00403 0.00053 129 13 C 1S 0.00814 0.02130 0.01817 -0.03960 -0.00557 130 2S -0.00730 -0.00537 -0.01702 0.04337 0.00184 131 2PX 0.04589 0.02352 -0.11989 0.11330 -0.09412 132 2PY 0.05830 -0.05361 -0.02412 0.06767 0.01864 133 2PZ -0.02550 -0.01544 -0.14027 0.08827 0.01723 134 3S -0.12878 -0.45789 -0.38950 0.70756 0.14338 135 3PX 0.15086 0.07724 -0.34366 0.30740 -0.28013 136 3PY 0.15518 -0.10450 -0.13326 0.19153 0.03937 137 3PZ -0.04534 0.00304 -0.36425 0.20440 0.03897 138 4XX 0.00356 0.00021 0.00594 -0.00343 -0.00479 139 4YY 0.00719 -0.00132 0.00101 -0.00205 -0.00174 140 4ZZ -0.00924 0.00869 -0.00246 -0.00288 0.00403 141 4XY 0.00503 -0.00092 0.01143 -0.00253 0.00577 142 4XZ -0.00822 0.00776 0.01257 0.00044 -0.00029 143 4YZ -0.00192 0.00071 0.00397 -0.00403 -0.00053 144 14 C 1S 0.01244 -0.01046 0.00445 -0.00809 -0.00980 145 2S -0.02186 0.01800 -0.01771 0.02454 0.01431 146 2PX 0.20663 -0.13050 0.04899 -0.02653 -0.03288 147 2PY 0.06463 -0.07316 0.06599 0.02557 -0.00378 148 2PZ 0.09838 -0.06823 -0.01889 -0.02588 0.01748 149 3S -0.13154 0.09339 -0.00891 0.04330 0.13825 150 3PX 0.26549 -0.25534 0.08655 -0.11189 0.05499 151 3PY 0.13922 -0.20918 0.14358 0.09546 0.01566 152 3PZ 0.14771 -0.00853 0.04970 -0.18984 -0.00168 153 4XX -0.00752 0.00144 0.00514 -0.00037 -0.00385 154 4YY -0.00255 0.00247 -0.00871 -0.00710 0.00509 155 4ZZ 0.01375 -0.00785 0.00184 0.00655 -0.00244 156 4XY 0.00781 -0.00689 0.01080 -0.00572 0.00281 157 4XZ 0.00245 -0.00441 -0.00474 -0.00070 -0.00044 158 4YZ 0.00723 -0.00384 -0.00063 -0.00433 0.00344 159 15 C 1S 0.01485 -0.01446 -0.03501 -0.01153 0.01738 160 2S -0.02950 0.03863 0.05183 0.02269 -0.04612 161 2PX -0.20631 0.06564 0.03548 0.04263 0.01067 162 2PY 0.01520 -0.01065 0.05030 0.01773 -0.02947 163 2PZ -0.17799 0.06274 -0.10557 0.00495 0.07817 164 3S -0.08601 0.09260 0.54615 0.13805 -0.28927 165 3PX -0.36962 0.17626 0.08959 0.06061 -0.04151 166 3PY -0.01001 0.04169 0.19776 0.03477 -0.12795 167 3PZ -0.25826 0.08835 -0.21542 -0.02198 0.10687 168 4XX -0.00907 0.00545 -0.00690 -0.00169 0.00609 169 4YY 0.00702 -0.00479 0.00467 0.00141 -0.00428 170 4ZZ 0.00671 -0.00235 -0.00532 -0.00082 -0.00407 171 4XY -0.00975 0.00293 -0.00618 -0.00813 0.00193 172 4XZ 0.00163 -0.00390 0.00402 0.00210 0.00252 173 4YZ -0.00500 0.00095 0.00974 -0.00139 -0.00318 174 16 H 1S -0.01539 -0.00782 -0.05037 -0.02522 0.00280 175 2S -0.04016 0.02619 -0.71105 -0.19417 0.35196 176 17 H 1S 0.01979 -0.01805 -0.02596 -0.02464 0.01494 177 2S 0.09724 -0.20674 -0.19259 -0.21892 -0.06021 178 18 H 1S -0.02390 0.01323 -0.03298 0.00357 -0.02972 179 2S -0.18774 -0.24582 -0.17954 -0.04860 -0.45419 180 19 H 1S 0.02417 -0.01493 -0.03203 0.00350 -0.02949 181 2S 0.18996 0.23770 -0.19133 -0.05052 -0.45006 182 20 H 1S -0.01957 0.01636 -0.02702 -0.02472 0.01527 183 2S -0.09573 0.19204 -0.20291 -0.22300 -0.04582 184 21 H 1S 0.01571 0.00496 -0.05063 -0.02521 0.00287 185 2S 0.04468 -0.06805 -0.70800 -0.19480 0.35863 186 22 H 1S 0.04412 -0.03691 0.06466 -0.02407 0.01626 187 2S 0.18939 -0.18656 0.88880 -0.81895 0.17422 188 23 H 1S -0.04468 0.04024 0.06223 -0.02403 0.01625 189 2S -0.19765 0.23187 0.87607 -0.81909 0.17615 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17145 0.17765 0.19270 1 1 C 1S 0.03231 -0.05604 -0.00414 0.01471 0.06498 2 2S -0.03661 0.09075 0.02001 -0.01510 -0.09287 3 2PX 0.05837 -0.06286 -0.05484 -0.02270 0.02909 4 2PY -0.01590 0.12477 0.02488 0.03162 -0.01179 5 2PZ 0.13388 0.01326 0.08435 0.07698 0.20257 6 3S -0.63997 0.90720 -0.10910 -0.25949 -1.08740 7 3PX -0.00823 -0.24323 -0.12463 -0.14304 -0.17518 8 3PY 0.04471 0.44200 -0.09552 -0.02114 -0.01221 9 3PZ 0.45963 0.03626 0.16469 0.30108 0.68652 10 4XX 0.00602 -0.00893 -0.00391 0.00027 0.00874 11 4YY 0.00417 0.00895 -0.00007 0.01064 0.01361 12 4ZZ -0.00080 -0.00116 0.00301 -0.00263 -0.00175 13 4XY 0.00239 0.00445 0.00852 -0.00279 0.00028 14 4XZ -0.00450 0.01416 0.00531 -0.00132 -0.00700 15 4YZ 0.00603 -0.01153 -0.00978 0.00387 0.01067 16 2 C 1S -0.03279 -0.05607 -0.00413 -0.01465 -0.06486 17 2S 0.03763 0.09088 0.01994 0.01500 0.09260 18 2PX -0.05978 -0.06259 -0.05502 0.02303 -0.02852 19 2PY -0.01622 -0.12461 -0.02499 0.03181 -0.01130 20 2PZ -0.13198 0.01279 0.08395 -0.07713 -0.20234 21 3S 0.64506 0.90712 -0.10915 0.25878 1.08537 22 3PX 0.00450 -0.24182 -0.12489 0.14406 0.17643 23 3PY 0.04301 -0.44305 0.09466 -0.02025 -0.01004 24 3PZ -0.45572 0.03484 0.16361 -0.30159 -0.68628 25 4XX -0.00613 -0.00892 -0.00390 -0.00025 -0.00873 26 4YY -0.00403 0.00889 -0.00011 -0.01068 -0.01368 27 4ZZ 0.00076 -0.00111 0.00305 0.00264 0.00180 28 4XY 0.00221 -0.00451 -0.00854 -0.00276 0.00031 29 4XZ 0.00468 0.01417 0.00531 0.00127 0.00698 30 4YZ 0.00621 0.01155 0.00978 0.00381 0.01062 31 3 C 1S -0.00035 -0.01528 0.03925 0.00003 -0.00006 32 2S 0.00047 0.02416 -0.06071 -0.00005 0.00006 33 2PX -0.00122 0.32147 -0.16682 -0.00006 -0.00013 34 2PY 0.00269 0.00018 0.00004 0.14837 0.09943 35 2PZ -0.00085 0.03862 -0.04030 0.00028 -0.00008 36 3S 0.00524 -0.02674 -0.49154 -0.00025 0.00099 37 3PX -0.00316 0.87061 -0.49189 -0.00017 -0.00011 38 3PY 0.00451 0.00051 -0.00019 0.27937 0.20305 39 3PZ -0.00214 0.03087 -0.04350 0.00053 -0.00058 40 4XX -0.00008 0.00020 -0.00486 0.00001 0.00001 41 4YY 0.00005 0.00357 0.01187 -0.00002 -0.00002 42 4ZZ -0.00004 -0.00502 -0.00248 0.00001 0.00001 43 4XY 0.00082 -0.00003 0.00000 -0.01056 -0.00499 44 4XZ 0.00004 0.01428 -0.00539 -0.00002 0.00000 45 4YZ -0.00494 0.00002 0.00001 0.00687 -0.00108 46 4 O 1S 0.00192 0.05758 -0.00664 0.01637 0.01095 47 2S 0.00039 -0.07982 0.00192 -0.00458 -0.00172 48 2PX -0.01587 -0.12680 -0.05163 0.04758 0.02965 49 2PY -0.03256 0.10928 -0.03797 0.04548 -0.01490 50 2PZ -0.05267 0.05963 0.08773 -0.00979 -0.07363 51 3S -0.05472 -0.77027 0.12892 -0.29121 -0.22634 52 3PX -0.04513 -0.28574 -0.07381 0.02582 -0.00270 53 3PY -0.00681 0.23069 -0.10409 0.08153 0.04568 54 3PZ -0.06894 0.10999 0.13185 -0.04129 -0.11113 55 4XX 0.00054 0.01878 0.00123 0.01398 0.00844 56 4YY 0.00375 0.01344 -0.00496 0.00845 0.00864 57 4ZZ -0.00368 0.02487 -0.00495 0.00868 -0.00016 58 4XY 0.00263 0.00366 -0.00284 0.00136 0.00432 59 4XZ 0.00418 0.00495 -0.00569 -0.00708 0.00281 60 4YZ 0.00055 -0.00853 0.00258 -0.00566 -0.00324 61 5 H 1S -0.00133 -0.00532 0.04191 -0.00123 0.01936 62 2S 0.66040 -0.65926 0.32115 0.36235 1.14885 63 6 H 1S 0.00146 -0.00540 0.04187 0.00111 -0.01957 64 2S -0.65928 -0.66067 0.31997 -0.36272 -1.14720 65 7 H 1S -0.00011 -0.02512 -0.00111 0.00002 0.00007 66 2S 0.00098 -0.41310 0.49970 -0.00016 0.00055 67 8 O 1S -0.00125 0.05752 -0.00664 -0.01649 -0.01099 68 2S -0.00147 -0.07983 0.00187 0.00474 0.00176 69 2PX 0.01453 -0.12680 -0.05156 -0.04741 -0.02926 70 2PY -0.03368 -0.10929 0.03785 0.04573 -0.01515 71 2PZ 0.05406 0.05947 0.08775 0.00961 0.07334 72 3S 0.04669 -0.76920 0.12892 0.29277 0.22681 73 3PX 0.04318 -0.28563 -0.07358 -0.02544 0.00353 74 3PY -0.00916 -0.23058 0.10383 0.08203 0.04519 75 3PZ 0.07146 0.10970 0.13205 0.04097 0.11058 76 4XX -0.00028 0.01873 0.00121 -0.01402 -0.00845 77 4YY -0.00362 0.01337 -0.00495 -0.00846 -0.00865 78 4ZZ 0.00389 0.02486 -0.00495 -0.00874 0.00013 79 4XY 0.00254 -0.00366 0.00286 0.00136 0.00432 80 4XZ -0.00419 0.00496 -0.00567 0.00709 -0.00277 81 4YZ 0.00051 0.00849 -0.00260 -0.00567 -0.00326 82 9 H 1S -0.00046 0.01459 -0.03335 0.00002 0.00001 83 2S -0.00755 1.06636 -0.40304 0.00014 -0.00080 84 10 C 1S -0.02434 0.01343 0.03539 -0.04227 0.05794 85 2S 0.03820 0.03148 -0.03288 0.06381 -0.07422 86 2PX 0.06619 -0.07773 -0.04047 -0.02958 -0.07375 87 2PY -0.06672 0.04464 0.08612 0.01230 0.06297 88 2PZ -0.06173 0.00056 0.03387 -0.05974 0.06887 89 3S 0.59015 -0.40561 -0.73645 0.58893 -0.87157 90 3PX 0.25339 -0.05618 -0.05168 0.06329 -0.24397 91 3PY 0.06246 0.14062 0.35784 -0.05299 0.20115 92 3PZ -0.23391 0.02501 0.02676 -0.27866 0.43131 93 4XX -0.00011 -0.00261 -0.00018 0.00112 0.00856 94 4YY 0.00809 0.00631 -0.00049 -0.01160 0.00478 95 4ZZ -0.00480 0.00782 0.00683 0.00001 0.00217 96 4XY -0.00075 -0.00554 -0.00138 0.00029 0.00199 97 4XZ -0.00007 -0.00677 -0.00325 -0.00108 -0.00453 98 4YZ 0.00102 -0.00218 -0.00822 0.00325 -0.00261 99 11 C 1S -0.04497 -0.01270 -0.08279 0.00575 -0.01575 100 2S 0.06338 0.01535 0.10005 -0.03034 0.05210 101 2PX -0.07377 0.05069 0.02160 -0.03493 -0.00222 102 2PY -0.20026 -0.00271 -0.07369 0.05771 0.07587 103 2PZ -0.04266 0.03326 0.10824 0.03264 -0.03257 104 3S 0.86502 0.25026 1.44169 0.00661 -0.00435 105 3PX -0.12940 0.09729 0.09320 -0.07828 0.09250 106 3PY -0.60162 0.06321 -0.25377 0.33120 0.02663 107 3PZ -0.00982 0.04845 0.22269 0.37001 -0.04490 108 4XX -0.00485 0.00114 -0.00528 -0.00107 -0.00505 109 4YY -0.00189 0.00044 -0.00064 -0.00264 0.01113 110 4ZZ -0.00169 -0.00449 -0.01048 0.00255 -0.00736 111 4XY -0.00118 0.00340 -0.00075 0.00455 -0.00476 112 4XZ -0.00651 0.00020 0.00084 -0.00030 0.00377 113 4YZ -0.00440 -0.00438 -0.00510 -0.01351 0.00340 114 12 C 1S -0.00355 -0.00209 0.03770 0.11463 -0.00889 115 2S -0.02166 -0.01221 -0.03731 -0.09200 -0.00016 116 2PX -0.03170 0.01435 -0.09152 0.00520 -0.01478 117 2PY -0.07355 -0.00875 0.04081 -0.04676 0.09710 118 2PZ 0.05416 0.08216 0.06539 -0.10621 0.01356 119 3S 0.25135 0.12541 -0.62915 -2.23033 0.21201 120 3PX -0.11431 -0.05131 -0.31225 -0.07366 -0.16602 121 3PY 0.05542 -0.03146 0.28531 -0.46131 0.31934 122 3PZ 0.09353 0.16383 0.27450 -0.21993 -0.05642 123 4XX -0.00714 0.00076 -0.00268 0.00209 0.00103 124 4YY 0.00724 -0.00272 -0.00302 0.01887 -0.00931 125 4ZZ -0.00478 -0.00093 0.01232 0.00190 0.00650 126 4XY 0.00054 -0.00303 -0.01178 0.00046 0.00075 127 4XZ 0.00385 0.00085 -0.00569 0.00039 -0.00393 128 4YZ 0.00038 0.00452 0.01438 0.00167 -0.00251 129 13 C 1S 0.00346 -0.00218 0.03754 -0.11466 0.00881 130 2S 0.02176 -0.01208 -0.03714 0.09206 0.00020 131 2PX 0.03334 0.01437 -0.09139 -0.00506 0.01489 132 2PY -0.07342 0.00890 -0.04078 -0.04693 0.09730 133 2PZ -0.05397 0.08234 0.06561 0.10588 -0.01333 134 3S -0.24982 0.12681 -0.62629 2.23064 -0.21033 135 3PX 0.11881 -0.05120 -0.31162 0.07426 0.16639 136 3PY 0.05610 0.03167 -0.28567 -0.46137 0.31977 137 3PZ -0.09285 0.16487 0.27516 0.21849 0.05667 138 4XX 0.00717 0.00075 -0.00270 -0.00209 -0.00103 139 4YY -0.00723 -0.00269 -0.00298 -0.01885 0.00931 140 4ZZ 0.00474 -0.00098 0.01227 -0.00191 -0.00651 141 4XY 0.00049 0.00303 0.01179 0.00045 0.00073 142 4XZ -0.00385 0.00086 -0.00565 -0.00039 0.00395 143 4YZ 0.00035 -0.00452 -0.01441 0.00166 -0.00247 144 14 C 1S 0.04510 -0.01272 -0.08274 -0.00560 0.01580 145 2S -0.06349 0.01527 0.09993 0.03012 -0.05217 146 2PX 0.07431 0.05086 0.02192 0.03488 0.00205 147 2PY -0.20024 0.00312 0.07372 0.05774 0.07588 148 2PZ 0.04209 0.03333 0.10848 -0.03267 0.03258 149 3S -0.86705 0.25173 1.44142 -0.00882 0.00334 150 3PX 0.12904 0.09763 0.09391 0.07781 -0.09270 151 3PY -0.60190 -0.06291 0.25391 0.33162 0.02708 152 3PZ 0.00790 0.04840 0.22305 -0.36961 0.04438 153 4XX 0.00491 0.00115 -0.00527 0.00107 0.00507 154 4YY 0.00185 0.00039 -0.00066 0.00270 -0.01114 155 4ZZ 0.00172 -0.00448 -0.01046 -0.00258 0.00738 156 4XY -0.00125 -0.00341 0.00076 0.00455 -0.00472 157 4XZ 0.00652 0.00017 0.00083 0.00032 -0.00377 158 4YZ -0.00444 0.00439 0.00510 -0.01351 0.00336 159 15 C 1S 0.02416 0.01338 0.03542 0.04221 -0.05798 160 2S -0.03760 0.03160 -0.03291 -0.06376 0.07422 161 2PX -0.06625 -0.07765 -0.04046 0.02970 0.07378 162 2PY -0.06660 -0.04452 -0.08609 0.01242 0.06321 163 2PZ 0.06081 0.00031 0.03374 0.05980 -0.06870 164 3S -0.58749 -0.40535 -0.73739 -0.58752 0.87227 165 3PX -0.25287 -0.05547 -0.05149 -0.06323 0.24360 166 3PY 0.06315 -0.14028 -0.35771 -0.05279 0.20214 167 3PZ 0.23300 0.02377 0.02613 0.27852 -0.43086 168 4XX 0.00004 -0.00265 -0.00020 -0.00112 -0.00857 169 4YY -0.00803 0.00633 -0.00048 0.01159 -0.00477 170 4ZZ 0.00485 0.00783 0.00685 -0.00001 -0.00219 171 4XY -0.00076 0.00554 0.00138 0.00027 0.00197 172 4XZ 0.00003 -0.00676 -0.00325 0.00108 0.00454 173 4YZ 0.00102 0.00217 0.00821 0.00325 -0.00261 174 16 H 1S -0.00644 0.03755 0.01576 -0.00140 0.04620 175 2S -0.59317 0.33179 0.60689 -0.47311 1.01057 176 17 H 1S -0.02126 0.00176 -0.02368 -0.01784 0.04067 177 2S -1.13221 -0.02726 -0.85859 0.32533 0.14169 178 18 H 1S -0.02057 -0.01301 -0.03986 0.00295 0.00956 179 2S -0.25736 -0.16247 -0.16878 0.67506 0.00780 180 19 H 1S 0.02087 -0.01306 -0.03992 -0.00284 -0.00960 181 2S 0.26241 -0.16375 -0.17011 -0.67474 -0.00804 182 20 H 1S 0.02108 0.00169 -0.02366 0.01788 -0.04066 183 2S 1.13278 -0.02868 -0.85888 -0.32404 -0.14200 184 21 H 1S 0.00643 0.03751 0.01574 0.00137 -0.04625 185 2S 0.58951 0.33026 0.60708 0.47210 -1.01088 186 22 H 1S 0.00937 -0.00342 -0.00525 0.00687 0.01239 187 2S -0.07578 -0.20728 0.31294 0.87881 0.19293 188 23 H 1S -0.00966 -0.00347 -0.00525 -0.00690 -0.01233 189 2S 0.06981 -0.20876 0.31109 -0.87857 -0.19396 56 57 58 59 60 V V V V V Eigenvalues -- 0.19776 0.20300 0.22884 0.23612 0.24271 1 1 C 1S 0.04172 -0.03036 -0.00037 -0.00398 -0.01075 2 2S -0.08452 0.07265 -0.02225 0.00836 0.01291 3 2PX 0.05166 -0.00319 0.02238 -0.02250 0.00388 4 2PY -0.12662 0.03613 -0.00687 0.02662 0.02174 5 2PZ -0.00547 -0.08508 -0.00855 0.03438 -0.02716 6 3S -0.53828 0.21760 0.07318 -0.01491 0.18170 7 3PX 0.08834 0.10852 -0.04763 0.00946 0.02881 8 3PY -0.20081 0.38308 0.05318 0.08079 0.06287 9 3PZ -0.03379 -0.37398 0.00281 0.06894 -0.00141 10 4XX 0.00132 -0.00559 -0.00475 -0.00671 -0.00379 11 4YY 0.00333 -0.00681 0.00172 0.00168 0.00109 12 4ZZ 0.00174 0.00095 0.00023 0.00122 0.00003 13 4XY -0.01155 -0.00105 -0.00285 -0.00372 0.00427 14 4XZ 0.00064 0.00171 0.00252 0.00324 -0.00118 15 4YZ 0.01107 -0.00491 0.00438 0.00104 0.00160 16 2 C 1S 0.04185 0.03038 -0.00030 0.00392 -0.01075 17 2S -0.08476 -0.07268 -0.02236 -0.00830 0.01297 18 2PX 0.05177 0.00301 0.02258 0.02248 0.00376 19 2PY 0.12669 0.03618 0.00701 0.02651 -0.02180 20 2PZ -0.00504 0.08503 -0.00851 -0.03456 -0.02688 21 3S -0.54037 -0.21775 0.07223 0.01612 0.18107 22 3PX 0.08818 -0.10887 -0.04725 -0.00870 0.02829 23 3PY 0.20037 0.38230 -0.05297 0.08055 -0.06329 24 3PZ -0.03310 0.37463 0.00279 -0.06899 -0.00053 25 4XX 0.00133 0.00559 -0.00472 0.00672 -0.00383 26 4YY 0.00336 0.00684 0.00173 -0.00171 0.00112 27 4ZZ 0.00171 -0.00098 0.00021 -0.00121 0.00002 28 4XY 0.01155 -0.00104 0.00282 -0.00373 -0.00424 29 4XZ 0.00066 -0.00173 0.00251 -0.00327 -0.00117 30 4YZ -0.01108 -0.00489 -0.00438 0.00102 -0.00162 31 3 C 1S -0.13286 0.00000 0.00656 0.00003 0.01032 32 2S 0.21012 0.00001 0.02144 -0.00017 -0.03314 33 2PX 0.15671 0.00005 0.02962 -0.00026 -0.03793 34 2PY 0.00023 0.00204 0.00046 0.12167 -0.00031 35 2PZ -0.15329 -0.00004 -0.33551 0.00028 -0.14420 36 3S 1.81177 -0.00014 -0.42546 0.00007 -0.21266 37 3PX 0.64738 0.00005 -0.08704 -0.00021 -0.07314 38 3PY 0.00131 -0.15176 0.00109 0.09335 0.00026 39 3PZ -0.60678 -0.00014 -0.96113 0.00070 -0.35101 40 4XX 0.01716 0.00000 -0.00421 0.00000 -0.00519 41 4YY -0.03106 0.00000 -0.00886 -0.00001 -0.00536 42 4ZZ 0.00856 0.00001 0.02076 -0.00001 0.00602 43 4XY -0.00002 -0.00317 -0.00002 -0.01284 0.00004 44 4XZ 0.02413 0.00000 0.00910 -0.00001 0.00452 45 4YZ -0.00002 0.00102 -0.00002 0.00586 -0.00003 46 4 O 1S 0.03757 -0.00430 0.01623 0.00881 0.00522 47 2S -0.03960 -0.00495 -0.01850 -0.01044 -0.01015 48 2PX 0.15563 -0.01289 0.08245 0.02221 0.00940 49 2PY 0.22909 0.01096 0.09701 0.05022 0.02970 50 2PZ -0.14094 0.05270 0.06642 0.01943 0.02143 51 3S -0.57467 0.12537 -0.26000 -0.10829 -0.07774 52 3PX 0.29287 -0.01056 0.10248 0.00057 0.00991 53 3PY 0.49051 -0.05535 0.16649 0.03369 0.03098 54 3PZ -0.26996 0.08386 0.09343 -0.00130 0.04687 55 4XX 0.01434 -0.00337 0.00697 0.01038 0.00298 56 4YY 0.01414 -0.00249 0.01074 0.00268 0.00059 57 4ZZ 0.01615 -0.00485 -0.00056 0.00181 -0.00038 58 4XY 0.00566 -0.00007 0.00763 0.00085 0.00249 59 4XZ 0.01376 -0.00552 0.00622 -0.00774 0.00283 60 4YZ -0.00570 -0.00203 -0.00120 -0.00674 0.00221 61 5 H 1S -0.03844 -0.01574 -0.00971 -0.00107 0.00207 62 2S 0.39746 -0.72258 -0.02384 0.03140 -0.19486 63 6 H 1S -0.03840 0.01579 -0.00972 0.00110 0.00211 64 2S 0.39873 0.72280 -0.02325 -0.03288 -0.19379 65 7 H 1S 0.02870 0.00002 0.11747 -0.00008 0.04421 66 2S -0.41117 0.00006 1.47408 -0.00065 0.62339 67 8 O 1S 0.03749 0.00430 0.01618 -0.00886 0.00528 68 2S -0.03951 0.00493 -0.01842 0.01048 -0.01020 69 2PX 0.15562 0.01291 0.08250 -0.02245 0.00956 70 2PY -0.22861 0.01105 -0.09696 0.05055 -0.03001 71 2PZ -0.14145 -0.05271 0.06608 -0.01953 0.02159 72 3S -0.57351 -0.12547 -0.25927 0.10904 -0.07856 73 3PX 0.29280 0.01057 0.10263 -0.00081 0.00976 74 3PY -0.48952 -0.05529 -0.16644 0.03427 -0.03128 75 3PZ -0.27084 -0.08393 0.09295 0.00122 0.04698 76 4XX 0.01430 0.00335 0.00694 -0.01040 0.00304 77 4YY 0.01411 0.00252 0.01072 -0.00271 0.00063 78 4ZZ 0.01611 0.00484 -0.00058 -0.00184 -0.00039 79 4XY -0.00570 -0.00009 -0.00764 0.00084 -0.00252 80 4XZ 0.01376 0.00552 0.00622 0.00775 0.00277 81 4YZ 0.00572 -0.00204 0.00121 -0.00676 -0.00215 82 9 H 1S 0.05444 0.00000 -0.02907 0.00001 -0.01533 83 2S -0.30210 0.00010 -0.22100 -0.00015 -0.13136 84 10 C 1S 0.00896 0.05859 -0.01518 -0.01032 0.00711 85 2S -0.03614 -0.13602 0.05893 0.00280 0.00089 86 2PX 0.01198 -0.02090 -0.00014 0.04942 -0.06896 87 2PY 0.01272 0.01841 -0.02961 0.05817 0.09789 88 2PZ 0.02809 0.07638 0.02531 0.02033 0.09196 89 3S -0.05619 -0.42257 0.21122 0.49105 -0.42396 90 3PX -0.04377 -0.39519 0.02975 0.02955 -0.24455 91 3PY 0.08859 0.33889 -0.20610 0.27391 0.33844 92 3PZ 0.05989 0.60435 -0.09291 0.10368 0.42594 93 4XX 0.00058 -0.00134 0.00294 0.00343 -0.00451 94 4YY -0.00388 0.01274 0.00463 -0.00660 0.01302 95 4ZZ 0.00042 -0.00282 -0.00172 0.00598 -0.00901 96 4XY 0.00419 0.00326 -0.00699 -0.00143 0.00905 97 4XZ 0.00140 0.00016 -0.00313 -0.00585 0.01243 98 4YZ -0.00224 -0.00690 0.00326 -0.00124 0.00233 99 11 C 1S -0.03046 -0.05349 0.01370 -0.01858 0.04417 100 2S 0.04311 0.08636 -0.01752 0.04371 -0.05057 101 2PX -0.01099 -0.00094 -0.00253 -0.02471 0.03692 102 2PY -0.05153 -0.10978 0.09711 0.00607 -0.18653 103 2PZ 0.01420 0.00143 0.07697 0.00915 -0.19047 104 3S 0.45781 0.53108 -0.24893 0.23251 -0.78780 105 3PX -0.11758 -0.07089 -0.00480 -0.38189 0.21832 106 3PY -0.24743 -0.72509 0.46614 -0.09496 -0.92117 107 3PZ 0.08087 -0.08603 0.25085 0.03226 -0.84107 108 4XX -0.00320 0.00113 0.00295 -0.00541 0.00221 109 4YY -0.00206 -0.00462 -0.00278 0.00545 -0.00025 110 4ZZ -0.00167 -0.00894 0.00262 -0.00160 0.00443 111 4XY 0.00207 -0.00610 -0.00353 0.01081 -0.00141 112 4XZ 0.00276 0.00723 -0.00844 0.01201 -0.00164 113 4YZ 0.00097 0.00100 -0.00729 0.00214 0.00506 114 12 C 1S 0.01306 0.06055 -0.03023 0.01370 -0.06138 115 2S -0.02083 -0.09495 0.05553 -0.02946 0.05118 116 2PX 0.03120 -0.01281 -0.10540 0.29936 -0.01903 117 2PY 0.00823 0.00093 -0.06501 0.01525 -0.07132 118 2PZ 0.03355 -0.03291 0.07404 0.13077 -0.09950 119 3S -0.24331 -0.66924 0.47533 -0.11937 1.28269 120 3PX 0.06010 0.05739 -0.48257 1.18963 0.08828 121 3PY 0.14174 0.13816 -0.19364 0.13260 -0.33266 122 3PZ 0.06372 -0.24721 0.33173 0.49584 -0.81910 123 4XX 0.00236 0.00182 -0.01519 -0.00171 0.01028 124 4YY -0.00335 0.01049 0.00251 0.00077 0.00196 125 4ZZ 0.00079 0.00520 0.00885 0.00314 -0.02402 126 4XY -0.00133 -0.00160 -0.01775 -0.00758 -0.00048 127 4XZ -0.00082 -0.00284 0.00775 -0.00143 0.01389 128 4YZ 0.00610 0.00323 0.00288 -0.00411 -0.01215 129 13 C 1S 0.01301 -0.06056 -0.03028 -0.01385 -0.06151 130 2S -0.02078 0.09495 0.05560 0.02944 0.05130 131 2PX 0.03118 0.01287 -0.10622 -0.29931 -0.01770 132 2PY -0.00841 0.00086 0.06476 0.01542 0.07032 133 2PZ 0.03355 0.03292 0.07406 -0.13092 -0.09942 134 3S -0.24219 0.66941 0.47611 0.12319 1.28510 135 3PX 0.06005 -0.05696 -0.48559 -1.18820 0.09257 136 3PY -0.14260 0.13779 0.19293 0.13350 0.32868 137 3PZ 0.06351 0.24755 0.33156 -0.49918 -0.81893 138 4XX 0.00236 -0.00183 -0.01519 0.00182 0.01036 139 4YY -0.00335 -0.01050 0.00252 -0.00078 0.00184 140 4ZZ 0.00078 -0.00519 0.00883 -0.00329 -0.02399 141 4XY 0.00133 -0.00160 0.01771 -0.00763 0.00050 142 4XZ -0.00080 0.00284 0.00782 0.00146 0.01384 143 4YZ -0.00611 0.00323 -0.00289 -0.00409 0.01220 144 14 C 1S -0.03050 0.05349 0.01369 0.01878 0.04414 145 2S 0.04323 -0.08632 -0.01766 -0.04384 -0.05047 146 2PX -0.01099 0.00093 -0.00247 0.02465 0.03676 147 2PY 0.05150 -0.10991 -0.09714 0.00710 0.18707 148 2PZ 0.01424 -0.00167 0.07664 -0.01004 -0.19019 149 3S 0.45774 -0.53133 -0.24823 -0.23651 -0.78695 150 3PX -0.11792 0.07130 -0.00331 0.38235 0.21621 151 3PY 0.24787 -0.72533 -0.46691 -0.08899 0.92400 152 3PZ 0.08148 0.08476 0.24959 -0.03646 -0.84016 153 4XX -0.00320 -0.00112 0.00295 0.00542 0.00219 154 4YY -0.00204 0.00460 -0.00281 -0.00545 -0.00019 155 4ZZ -0.00169 0.00895 0.00263 0.00163 0.00440 156 4XY -0.00205 -0.00611 0.00357 0.01082 0.00140 157 4XZ 0.00275 -0.00723 -0.00846 -0.01198 -0.00155 158 4YZ -0.00098 0.00098 0.00726 0.00209 -0.00516 159 15 C 1S 0.00902 -0.05859 -0.01509 0.01036 0.00709 160 2S -0.03625 0.13599 0.05886 -0.00303 0.00081 161 2PX 0.01189 0.02099 -0.00032 -0.04994 -0.06841 162 2PY -0.01278 0.01857 0.02976 0.05769 -0.09832 163 2PZ 0.02817 -0.07634 0.02527 -0.01987 0.09144 164 3S -0.05658 0.42293 0.20871 -0.49255 -0.42207 165 3PX -0.04442 0.39511 0.02980 -0.03125 -0.24320 166 3PY -0.08911 0.34034 0.20694 0.27227 -0.33958 167 3PZ 0.06058 -0.60379 -0.09282 -0.10051 0.42451 168 4XX 0.00060 0.00135 0.00293 -0.00346 -0.00450 169 4YY -0.00387 -0.01272 0.00468 0.00662 0.01298 170 4ZZ 0.00042 0.00279 -0.00176 -0.00603 -0.00897 171 4XY -0.00419 0.00327 0.00698 -0.00149 -0.00908 172 4XZ 0.00137 -0.00015 -0.00310 0.00592 0.01241 173 4YZ 0.00224 -0.00692 -0.00326 -0.00122 -0.00230 174 16 H 1S -0.00962 0.01866 0.01223 0.02145 -0.03810 175 2S 0.17185 1.03824 -0.22636 0.06288 0.72569 176 17 H 1S -0.01811 -0.06791 0.00169 0.02127 -0.00977 177 2S -0.47578 -1.08986 0.63305 -0.17430 -0.74513 178 18 H 1S -0.00005 0.02508 -0.12078 0.03246 0.02496 179 2S 0.16837 0.45034 -1.02822 1.22730 -0.29248 180 19 H 1S -0.00008 -0.02509 -0.12087 -0.03201 0.02539 181 2S 0.16796 -0.45017 -1.03181 -1.22545 -0.28487 182 20 H 1S -0.01805 0.06787 0.00166 -0.02134 -0.00957 183 2S -0.47617 1.09004 0.63293 0.16938 -0.74622 184 21 H 1S -0.00955 -0.01868 0.01221 -0.02162 -0.03804 185 2S 0.17326 -1.03858 -0.22616 -0.05874 0.72395 186 22 H 1S -0.00476 0.01118 0.03960 -0.02664 0.06582 187 2S -0.02483 0.52548 -0.10540 -1.20332 0.08525 188 23 H 1S -0.00470 -0.01119 0.03977 0.02679 0.06578 189 2S -0.02481 -0.52580 -0.10209 1.20408 0.08205 61 62 63 64 65 V V V V V Eigenvalues -- 0.24912 0.30439 0.31363 0.32662 0.37013 1 1 C 1S 0.00707 0.00781 -0.00106 0.02274 0.11314 2 2S 0.00509 -0.00683 -0.00353 0.00765 -0.12506 3 2PX -0.02774 0.03873 0.00272 -0.12827 0.15933 4 2PY 0.04316 -0.00897 -0.00479 0.24075 0.14957 5 2PZ -0.00634 0.05663 0.01940 0.08494 -0.22683 6 3S -0.28471 -0.09009 -0.02251 -1.25508 -2.60160 7 3PX -0.05045 0.02107 0.03679 -0.70750 1.07775 8 3PY 0.29425 -0.17707 -0.01788 1.79251 1.77102 9 3PZ -0.02128 0.08837 -0.02209 0.29668 -0.98072 10 4XX -0.00157 -0.00081 -0.00319 -0.00393 -0.00535 11 4YY 0.00599 0.00270 0.00034 0.02514 0.02345 12 4ZZ -0.00244 0.00106 0.00006 -0.00403 -0.01372 13 4XY -0.00176 -0.00146 0.00387 -0.00484 -0.00223 14 4XZ 0.00086 -0.00204 -0.00055 0.01349 -0.01116 15 4YZ 0.00092 0.00267 0.00372 -0.00090 -0.00420 16 2 C 1S -0.00706 -0.00782 -0.00110 -0.02273 -0.11317 17 2S -0.00517 0.00673 -0.00363 -0.00728 0.12508 18 2PX 0.02771 -0.03843 0.00321 0.12815 -0.15946 19 2PY 0.04315 -0.00903 0.00561 0.24095 0.14936 20 2PZ 0.00626 -0.05658 0.01920 -0.08448 0.22739 21 3S 0.28460 0.09026 -0.01909 1.25353 2.60204 22 3PX 0.05062 -0.02089 0.03913 0.70836 -1.07747 23 3PY 0.29431 -0.17678 0.02361 1.79353 1.76868 24 3PZ 0.02172 -0.08874 -0.02258 -0.29323 0.98519 25 4XX 0.00158 0.00079 -0.00317 0.00392 0.00539 26 4YY -0.00600 -0.00275 0.00026 -0.02510 -0.02339 27 4ZZ 0.00244 -0.00102 0.00005 0.00402 0.01361 28 4XY -0.00177 -0.00141 -0.00388 -0.00481 -0.00231 29 4XZ -0.00086 0.00204 -0.00062 -0.01353 0.01115 30 4YZ 0.00087 0.00265 -0.00371 -0.00095 -0.00427 31 3 C 1S 0.00002 0.00002 0.00678 -0.00003 -0.00001 32 2S -0.00008 -0.00007 -0.02250 0.00012 0.00003 33 2PX -0.00007 -0.00003 0.00887 0.00010 0.00009 34 2PY 0.09120 0.07177 -0.00027 -0.03513 0.31615 35 2PZ -0.00016 0.00004 0.02877 -0.00012 0.00039 36 3S -0.00032 -0.00021 -0.05186 0.00016 0.00009 37 3PX -0.00009 -0.00019 -0.03587 0.00042 -0.00010 38 3PY -0.07854 0.09370 -0.00194 -0.95936 -0.10069 39 3PZ -0.00074 0.00000 0.05972 -0.00083 -0.00004 40 4XX -0.00001 -0.00001 -0.00469 0.00000 -0.00001 41 4YY -0.00002 -0.00001 0.00334 0.00000 -0.00003 42 4ZZ 0.00002 0.00001 0.00190 -0.00002 0.00005 43 4XY -0.00725 -0.00631 0.00002 0.00644 -0.01099 44 4XZ 0.00000 -0.00001 -0.00288 0.00002 -0.00002 45 4YZ 0.00157 0.00332 -0.00004 -0.00985 0.01509 46 4 O 1S 0.00213 -0.00068 -0.00128 0.01838 -0.04208 47 2S -0.00236 0.01329 -0.02295 -0.05334 0.03807 48 2PX 0.01732 0.03932 -0.03732 -0.18586 0.17942 49 2PY 0.00798 0.02591 -0.03347 -0.08117 -0.01748 50 2PZ 0.03257 -0.00830 -0.01259 0.15763 -0.16670 51 3S -0.00730 -0.01931 0.09570 -0.17012 0.92144 52 3PX -0.01084 0.04506 -0.00339 -0.44726 0.39736 53 3PY -0.01785 0.03114 -0.03136 -0.21354 -0.29134 54 3PZ 0.04114 -0.04897 -0.00603 0.40985 -0.27654 55 4XX 0.00244 0.00766 -0.00361 -0.00469 -0.02432 56 4YY 0.00397 0.00385 -0.00886 0.00906 0.00081 57 4ZZ -0.00189 -0.00048 -0.01010 -0.00495 -0.01837 58 4XY 0.00588 -0.00002 0.00153 0.02045 0.02168 59 4XZ -0.00769 -0.00504 0.00144 0.00121 -0.01203 60 4YZ -0.00535 -0.00456 0.00265 -0.01788 -0.01716 61 5 H 1S -0.00776 0.01324 -0.01283 -0.02440 0.06612 62 2S -0.09438 0.28193 0.02588 -0.34179 -0.96054 63 6 H 1S 0.00770 -0.01325 -0.01273 0.02449 -0.06666 64 2S 0.09411 -0.28184 0.02751 0.34209 0.96232 65 7 H 1S 0.00011 0.00005 0.00720 0.00002 0.00004 66 2S 0.00114 0.00027 -0.06133 -0.00017 -0.00021 67 8 O 1S -0.00213 0.00067 -0.00134 -0.01841 0.04214 68 2S 0.00232 -0.01330 -0.02265 0.05337 -0.03829 69 2PX -0.01725 -0.03936 -0.03640 0.18591 -0.17941 70 2PY 0.00798 0.02605 0.03306 -0.08113 -0.01798 71 2PZ -0.03256 0.00829 -0.01311 -0.15789 0.16693 72 3S 0.00728 0.01950 0.09581 0.17102 -0.92217 73 3PX 0.01104 -0.04501 -0.00173 0.44745 -0.39741 74 3PY -0.01793 0.03113 0.03053 -0.21275 -0.29240 75 3PZ -0.04117 0.04904 -0.00751 -0.41084 0.27625 76 4XX -0.00245 -0.00765 -0.00357 0.00468 0.02427 77 4YY -0.00397 -0.00386 -0.00884 -0.00898 -0.00073 78 4ZZ 0.00187 0.00046 -0.01005 0.00488 0.01829 79 4XY 0.00585 -0.00005 -0.00145 0.02045 0.02167 80 4XZ 0.00773 0.00506 0.00140 -0.00121 0.01206 81 4YZ -0.00538 -0.00457 -0.00269 -0.01791 -0.01723 82 9 H 1S -0.00003 -0.00004 -0.01419 0.00005 -0.00008 83 2S -0.00020 -0.00004 0.04276 0.00017 0.00002 84 10 C 1S 0.00771 0.04914 -0.06116 -0.00215 -0.00129 85 2S -0.01976 -0.05110 0.03526 -0.00798 0.02194 86 2PX 0.06478 0.02936 -0.10759 0.06952 -0.02048 87 2PY -0.01768 -0.19978 -0.04472 0.03375 -0.03090 88 2PZ -0.15600 0.04038 0.10438 0.05957 0.00494 89 3S -0.14089 -1.39660 1.97723 -0.08637 -0.13737 90 3PX 0.35980 -0.00158 -0.90137 0.13500 -0.04306 91 3PY -0.17583 -1.37895 -0.73234 -0.09734 -0.22965 92 3PZ -0.57625 0.29786 0.78920 -0.00178 -0.03222 93 4XX -0.00609 -0.00239 -0.01760 0.01094 -0.00255 94 4YY 0.00105 0.02473 0.00733 -0.01045 0.00335 95 4ZZ 0.00481 -0.01759 -0.00114 -0.00623 0.00020 96 4XY -0.00239 0.00349 -0.02272 -0.00376 -0.00019 97 4XZ 0.00235 0.01440 0.01143 0.00792 -0.00111 98 4YZ 0.00641 0.00076 0.02429 -0.00024 -0.00158 99 11 C 1S -0.00495 0.05463 0.04988 0.01175 -0.00114 100 2S -0.01918 -0.06390 -0.05072 -0.01445 -0.03160 101 2PX 0.03129 -0.03918 -0.16619 -0.08568 0.01374 102 2PY -0.04706 -0.04811 -0.13047 0.02990 -0.00215 103 2PZ 0.02965 -0.15522 0.17486 -0.02995 0.00057 104 3S 0.41475 -1.37573 -1.44058 -0.19949 0.12333 105 3PX 0.26667 -0.06260 -1.06839 0.07424 -0.13188 106 3PY -0.13692 -0.13899 -0.86068 0.07585 0.14640 107 3PZ -0.14174 -0.67733 1.01264 -0.11133 0.14532 108 4XX -0.00286 0.00931 0.01012 -0.00492 0.00618 109 4YY 0.00715 -0.02216 -0.00258 0.00405 -0.00165 110 4ZZ -0.00571 0.01852 -0.00226 0.00471 -0.00845 111 4XY -0.01181 -0.01090 0.01299 -0.00593 -0.00773 112 4XZ 0.00618 -0.01091 -0.00233 0.00061 -0.00585 113 4YZ 0.02000 0.01495 -0.01318 -0.00462 -0.00686 114 12 C 1S -0.04259 -0.02516 0.01175 -0.00100 0.00756 115 2S 0.04871 0.02442 -0.00758 0.00886 0.00492 116 2PX 0.03234 0.14637 -0.02940 -0.00393 0.00980 117 2PY 0.32586 -0.14187 0.07100 -0.07002 -0.01892 118 2PZ -0.12539 -0.20188 0.02888 -0.00710 0.05840 119 3S 0.69818 0.42711 -0.49289 0.01440 -0.20551 120 3PX 0.14540 0.59026 0.15133 -0.00257 0.00948 121 3PY 1.37255 -0.47597 0.29477 -0.28844 -0.14388 122 3PZ -0.45353 -0.90144 0.04881 -0.03208 0.24779 123 4XX 0.01496 -0.00165 -0.00573 -0.00478 0.00053 124 4YY -0.02629 0.00811 0.01237 0.00495 0.00126 125 4ZZ 0.00593 -0.01032 -0.00587 0.00219 0.00276 126 4XY -0.00262 -0.00239 0.00661 -0.00052 -0.00138 127 4XZ -0.00090 0.01346 0.00625 0.00205 0.01216 128 4YZ 0.00503 0.00516 0.02349 -0.00173 -0.00195 129 13 C 1S 0.04235 0.02515 0.01175 0.00098 -0.00751 130 2S -0.04852 -0.02434 -0.00769 -0.00881 -0.00489 131 2PX -0.03240 -0.14613 -0.02890 0.00398 -0.01017 132 2PY 0.32597 -0.14238 -0.07104 -0.06973 -0.01888 133 2PZ 0.12561 0.20172 0.02878 0.00667 -0.05855 134 3S -0.69291 -0.42752 -0.49245 -0.01303 0.20397 135 3PX -0.14521 -0.58926 0.15363 0.00208 -0.00997 136 3PY 1.37330 -0.47805 -0.29471 -0.28756 -0.14411 137 3PZ 0.45290 0.90051 0.04783 0.03150 -0.24714 138 4XX -0.01492 0.00163 -0.00572 0.00481 -0.00055 139 4YY 0.02627 -0.00809 0.01243 -0.00500 -0.00125 140 4ZZ -0.00599 0.01033 -0.00595 -0.00216 -0.00273 141 4XY -0.00266 -0.00241 -0.00664 -0.00050 -0.00133 142 4XZ 0.00096 -0.01341 0.00629 -0.00211 -0.01224 143 4YZ 0.00514 0.00508 -0.02346 -0.00165 -0.00202 144 14 C 1S 0.00509 -0.05452 0.04998 -0.01193 0.00111 145 2S 0.01901 0.06373 -0.05069 0.01471 0.03166 146 2PX -0.03115 0.03940 -0.16613 0.08633 -0.01371 147 2PY -0.04656 -0.04801 0.13018 0.02940 -0.00227 148 2PZ -0.03051 0.15534 0.17524 0.02945 0.00005 149 3S -0.41739 1.37299 -1.44381 0.20533 -0.12347 150 3PX -0.26571 0.06201 -1.07127 -0.06987 0.13127 151 3PY -0.13495 -0.13826 0.85910 0.07203 0.14672 152 3PZ 0.13766 0.67847 1.01441 0.10753 -0.14352 153 4XX 0.00288 -0.00926 0.01017 0.00493 -0.00617 154 4YY -0.00723 0.02209 -0.00268 -0.00404 0.00160 155 4ZZ 0.00579 -0.01850 -0.00219 -0.00470 0.00849 156 4XY -0.01177 -0.01095 -0.01300 -0.00593 -0.00780 157 4XZ -0.00620 0.01085 -0.00239 -0.00062 0.00589 158 4YZ 0.01993 0.01506 0.01317 -0.00470 -0.00689 159 15 C 1S -0.00767 -0.04923 -0.06115 0.00237 0.00126 160 2S 0.01973 0.05131 0.03525 0.00783 -0.02231 161 2PX -0.06484 -0.02938 -0.10823 -0.06914 0.02072 162 2PY -0.01836 -0.19976 0.04504 0.03374 -0.03080 163 2PZ 0.15630 -0.04041 0.10441 -0.05984 -0.00492 164 3S 0.13873 1.39879 1.97756 0.07857 0.13906 165 3PX -0.36009 0.00143 -0.90513 -0.13140 0.04277 166 3PY -0.17838 -1.37779 0.73180 -0.10049 -0.22913 167 3PZ 0.57721 -0.29863 0.79125 -0.00171 0.03196 168 4XX 0.00611 0.00236 -0.01769 -0.01088 0.00251 169 4YY -0.00103 -0.02467 0.00751 0.01039 -0.00341 170 4ZZ -0.00485 0.01757 -0.00119 0.00624 -0.00018 171 4XY -0.00242 0.00357 0.02265 -0.00387 -0.00020 172 4XZ -0.00232 -0.01440 0.01147 -0.00798 0.00116 173 4YZ 0.00641 0.00066 -0.02427 -0.00014 -0.00159 174 16 H 1S -0.00080 -0.06442 0.08429 -0.04240 0.00080 175 2S -0.70054 -0.13154 0.19468 -0.06264 -0.05963 176 17 H 1S 0.04854 -0.09263 -0.02670 0.01847 0.00895 177 2S -0.14793 0.07423 -0.43558 0.18432 0.11039 178 18 H 1S 0.05928 -0.00897 -0.03389 -0.01508 -0.03028 179 2S 0.65843 0.47098 0.15089 -0.11673 -0.11310 180 19 H 1S -0.05911 0.00901 -0.03399 0.01528 0.03026 181 2S -0.65959 -0.47088 0.15257 0.11634 0.11282 182 20 H 1S -0.04860 0.09266 -0.02695 -0.01839 -0.00929 183 2S 0.14601 -0.07516 -0.43604 -0.18283 -0.11054 184 21 H 1S 0.00060 0.06451 0.08432 0.04206 -0.00091 185 2S 0.70286 0.13236 0.19552 0.06176 0.05937 186 22 H 1S 0.03656 0.01795 -0.04199 -0.00544 0.02131 187 2S 0.53287 -0.09813 0.07743 -0.09633 -0.19793 188 23 H 1S -0.03633 -0.01804 -0.04189 0.00555 -0.02157 189 2S -0.53283 0.09879 0.07631 0.09647 0.19847 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50829 1 1 C 1S -0.00852 -0.00394 0.00861 -0.00101 0.02782 2 2S 0.00057 -0.21694 -0.06306 0.08086 0.01527 3 2PX -0.01242 -0.05347 0.10315 -0.19422 0.16452 4 2PY -0.01584 0.31626 -0.07042 0.01994 -0.20517 5 2PZ -0.02137 0.10306 -0.11362 -0.10965 -0.29686 6 3S 0.24243 0.06210 0.06687 -0.02873 -0.07268 7 3PX 0.06063 0.04785 0.10745 0.22585 -0.16315 8 3PY -0.09691 -0.42538 -0.14958 0.02416 0.19089 9 3PZ 0.03023 -0.22607 -0.09929 0.13232 0.32487 10 4XX 0.00105 0.00757 -0.00266 0.00458 -0.00943 11 4YY -0.00303 -0.07461 -0.00884 0.00698 0.01799 12 4ZZ 0.00216 0.02596 0.00877 0.00176 0.03211 13 4XY 0.00298 -0.00277 0.00242 0.01434 -0.02746 14 4XZ -0.00127 0.02765 -0.00477 -0.00534 -0.02622 15 4YZ -0.00144 0.00250 0.00129 -0.02035 -0.00775 16 2 C 1S 0.00851 -0.00403 -0.00858 -0.00100 0.02781 17 2S 0.00016 -0.21666 0.06423 0.08121 0.01582 18 2PX 0.01214 -0.05438 -0.10206 -0.19449 0.16374 19 2PY -0.01514 -0.31633 -0.06875 -0.02021 0.20542 20 2PZ 0.02126 0.10382 0.11285 -0.10976 -0.29608 21 3S -0.24240 0.06120 -0.06737 -0.02939 -0.07320 22 3PX -0.05984 0.04813 -0.10844 0.22595 -0.16237 23 3PY -0.09801 0.42445 -0.15196 -0.02410 -0.19026 24 3PZ -0.03037 -0.22551 0.10007 0.13178 0.32366 25 4XX -0.00109 0.00759 0.00255 0.00454 -0.00940 26 4YY 0.00324 -0.07471 0.00927 0.00705 0.01802 27 4ZZ -0.00223 0.02584 -0.00887 0.00180 0.03215 28 4XY 0.00288 0.00269 0.00247 -0.01433 0.02752 29 4XZ 0.00117 0.02776 0.00463 -0.00538 -0.02619 30 4YZ -0.00142 -0.00277 0.00128 0.02038 0.00774 31 3 C 1S -0.00001 0.01004 -0.00002 -0.00756 0.01608 32 2S 0.00019 -0.36572 0.00108 0.00668 -0.09778 33 2PX 0.00015 -0.37690 0.00122 -0.13878 -0.29016 34 2PY -0.10843 -0.00020 0.00498 0.00024 0.00095 35 2PZ -0.00019 0.31852 -0.00099 -0.05653 -0.03633 36 3S -0.00054 0.91959 -0.00292 0.07160 0.12206 37 3PX -0.00009 0.79842 -0.00284 0.39786 0.43584 38 3PY 0.12639 0.00076 0.10556 -0.00027 -0.00188 39 3PZ 0.00041 -0.70967 0.00240 0.12352 0.34506 40 4XX 0.00001 -0.01089 0.00000 0.02612 0.03731 41 4YY 0.00001 0.03632 -0.00009 -0.00517 -0.00494 42 4ZZ -0.00002 -0.01433 0.00006 -0.02865 -0.01858 43 4XY 0.00484 0.00001 0.00374 -0.00002 -0.00001 44 4XZ 0.00000 0.01528 -0.00007 0.01366 -0.00820 45 4YZ -0.00822 0.00001 -0.00878 0.00004 0.00005 46 4 O 1S 0.00185 0.01077 -0.00852 0.00173 -0.01452 47 2S -0.02445 0.05187 -0.01359 0.03073 0.13463 48 2PX -0.04325 -0.06605 0.01197 -0.02340 -0.00444 49 2PY -0.02795 -0.08587 -0.04232 0.07265 -0.11328 50 2PZ -0.01787 0.04808 -0.07995 -0.00521 -0.13856 51 3S -0.02098 -0.49405 0.13391 -0.07039 -0.26342 52 3PX 0.00342 0.04446 0.11384 -0.07308 -0.06782 53 3PY 0.01706 0.33914 0.01359 -0.01388 0.01181 54 3PZ -0.00918 -0.00421 -0.06735 -0.07325 -0.03793 55 4XX -0.00516 0.05353 -0.01322 0.00813 0.01014 56 4YY -0.01148 -0.05531 -0.01100 0.01387 0.02061 57 4ZZ -0.00656 0.04801 -0.01718 0.02072 0.02276 58 4XY -0.00423 -0.02179 0.00804 -0.01257 0.00409 59 4XZ 0.00973 0.01926 0.01772 -0.01577 0.03916 60 4YZ 0.00899 0.02320 0.00241 0.00081 -0.00762 61 5 H 1S -0.00191 -0.07786 0.02214 0.08492 0.19774 62 2S -0.07266 -0.02487 -0.02984 -0.08730 0.04187 63 6 H 1S 0.00193 -0.07849 -0.02175 0.08503 0.19786 64 2S 0.07203 -0.02392 0.03014 -0.08783 0.04210 65 7 H 1S -0.00004 0.03697 -0.00007 -0.07927 -0.08966 66 2S -0.00001 0.00405 0.00005 -0.07711 -0.24454 67 8 O 1S -0.00187 0.01083 0.00845 0.00174 -0.01451 68 2S 0.02436 0.05184 0.01322 0.03068 0.13469 69 2PX 0.04316 -0.06617 -0.01156 -0.02353 -0.00468 70 2PY -0.02805 0.08541 -0.04272 -0.07260 0.11374 71 2PZ 0.01780 0.04884 0.07949 -0.00520 -0.13800 72 3S 0.02181 -0.49438 -0.13072 -0.07021 -0.26395 73 3PX -0.00350 0.04399 -0.11394 -0.07298 -0.06729 74 3PY 0.01763 -0.33898 0.01547 0.01400 -0.01201 75 3PZ 0.00906 -0.00460 0.06755 -0.07326 -0.03839 76 4XX 0.00510 0.05361 0.01288 0.00813 0.01020 77 4YY 0.01151 -0.05518 0.01130 0.01384 0.02053 78 4ZZ 0.00650 0.04800 0.01684 0.02074 0.02280 79 4XY -0.00422 0.02191 0.00789 0.01262 -0.00400 80 4XZ -0.00981 0.01916 -0.01776 -0.01576 0.03914 81 4YZ 0.00900 -0.02345 0.00255 -0.00086 0.00748 82 9 H 1S 0.00002 0.05633 -0.00031 0.11208 0.14999 83 2S 0.00019 0.05052 -0.00020 0.09429 0.07494 84 10 C 1S 0.09297 -0.00185 0.03360 0.00378 0.00423 85 2S -0.03044 -0.05818 -0.01605 -0.06472 0.33224 86 2PX 0.04083 0.09902 0.16319 0.12694 -0.08397 87 2PY -0.15081 -0.04915 0.22086 0.24826 0.03551 88 2PZ -0.11631 0.12572 -0.11110 -0.13639 0.06460 89 3S -3.56238 0.18418 -1.45323 0.00014 -0.36830 90 3PX 1.02386 -0.07747 1.81175 -0.14051 0.06449 91 3PY -2.25444 -0.02960 1.71275 -0.36823 -0.01961 92 3PZ -1.26458 -0.12330 -1.45054 0.15537 -0.07929 93 4XX -0.00256 0.00700 0.01392 -0.01025 0.00994 94 4YY 0.00678 -0.00891 -0.02035 0.02335 0.04658 95 4ZZ -0.00737 -0.00206 -0.00204 -0.01745 0.01517 96 4XY -0.00891 -0.00699 -0.00308 -0.01911 0.00377 97 4XZ 0.00498 0.00170 -0.00255 0.01940 -0.03192 98 4YZ 0.00827 0.00594 0.00452 0.01980 -0.00081 99 11 C 1S -0.08007 0.00704 -0.04120 0.00014 0.00068 100 2S 0.05695 -0.09485 -0.01136 -0.02363 0.13280 101 2PX -0.11043 0.04993 0.05369 -0.24895 0.09738 102 2PY 0.12935 -0.06115 0.06021 0.00787 0.00627 103 2PZ 0.14509 -0.02293 -0.19038 0.19355 -0.07365 104 3S 2.35138 0.01595 2.13869 -0.14899 0.00380 105 3PX 0.28296 -0.03417 1.64543 0.47822 -0.06063 106 3PY 1.87569 0.04479 0.92183 0.00789 0.10232 107 3PZ 0.57312 0.18944 -1.79685 -0.34879 0.17834 108 4XX -0.00037 -0.00239 -0.02191 -0.01139 0.00870 109 4YY -0.00206 0.01230 0.00819 0.00906 0.00647 110 4ZZ 0.00848 -0.02258 0.01418 0.01049 0.00574 111 4XY -0.01693 -0.01246 -0.00691 -0.02817 0.01022 112 4XZ -0.01032 0.00889 0.01361 0.01360 -0.02765 113 4YZ 0.00524 -0.01329 0.01288 0.02803 -0.00007 114 12 C 1S 0.05783 -0.00512 0.00860 -0.00042 -0.00109 115 2S 0.02159 -0.06917 0.00011 -0.06017 -0.00084 116 2PX 0.01405 0.16200 0.00976 0.07810 0.21370 117 2PY 0.02777 -0.05388 -0.18905 -0.29548 -0.02123 118 2PZ 0.08575 0.16421 -0.15413 -0.04083 0.00816 119 3S -1.82691 0.05191 -0.03487 0.21193 -0.08717 120 3PX -0.50944 -0.24027 -0.06289 -0.13898 -0.28033 121 3PY -0.40725 0.04710 -1.14342 0.30583 0.05985 122 3PZ 1.62442 -0.14309 -0.40134 0.03654 0.01725 123 4XX -0.01903 -0.00224 0.00430 0.01282 -0.00779 124 4YY -0.00218 -0.01650 0.00722 -0.06120 -0.00621 125 4ZZ 0.02746 -0.00826 -0.01038 0.03539 0.00315 126 4XY -0.00209 -0.02139 -0.00232 -0.01223 -0.02784 127 4XZ -0.01037 0.02755 -0.02013 -0.00821 0.04324 128 4YZ -0.00174 -0.01511 -0.00790 0.01213 -0.00195 129 13 C 1S -0.05780 -0.00528 -0.00860 -0.00042 -0.00110 130 2S -0.02157 -0.06891 0.00028 -0.06015 -0.00092 131 2PX -0.01475 0.16217 -0.01088 0.07794 0.21391 132 2PY 0.02816 0.05234 -0.18930 0.29512 0.02122 133 2PZ -0.08599 0.16486 0.15311 -0.03991 0.00806 134 3S 1.82612 0.05366 0.03601 0.21128 -0.08735 135 3PX 0.50837 -0.23888 0.06593 -0.13926 -0.28019 136 3PY -0.40486 -0.05411 -1.14329 -0.30742 -0.05871 137 3PZ -1.62428 -0.14285 0.39985 0.03694 0.01637 138 4XX 0.01911 -0.00215 -0.00419 0.01281 -0.00772 139 4YY 0.00212 -0.01660 -0.00720 -0.06119 -0.00623 140 4ZZ -0.02746 -0.00827 0.01038 0.03539 0.00306 141 4XY -0.00207 0.02133 -0.00262 0.01228 0.02776 142 4XZ 0.01020 0.02776 0.02001 -0.00814 0.04337 143 4YZ -0.00175 0.01507 -0.00799 -0.01232 0.00196 144 14 C 1S 0.08006 0.00741 0.04112 0.00014 0.00066 145 2S -0.05664 -0.09499 0.01213 -0.02333 0.13235 146 2PX 0.11003 0.04980 -0.05343 -0.24890 0.09756 147 2PY 0.12919 0.06194 0.05922 -0.00837 -0.00575 148 2PZ -0.14466 -0.02261 0.19038 0.19381 -0.07411 149 3S -2.35122 0.00047 -2.13609 -0.15077 0.00545 150 3PX -0.28578 -0.04486 -1.64573 0.47680 -0.05904 151 3PY 1.87571 -0.03723 0.91641 -0.00633 -0.10365 152 3PZ -0.57011 0.19976 1.79468 -0.34604 0.17662 153 4XX 0.00042 -0.00229 0.02201 -0.01144 0.00872 154 4YY 0.00197 0.01229 -0.00831 0.00923 0.00639 155 4ZZ -0.00837 -0.02269 -0.01407 0.01039 0.00565 156 4XY -0.01705 0.01241 -0.00697 0.02811 -0.01020 157 4XZ 0.01028 0.00880 -0.01377 0.01366 -0.02768 158 4YZ 0.00522 0.01344 0.01275 -0.02800 0.00003 159 15 C 1S -0.09297 -0.00216 -0.03354 0.00379 0.00423 160 2S 0.03008 -0.05786 0.01656 -0.06470 0.33221 161 2PX -0.04078 0.09765 -0.16416 0.12704 -0.08385 162 2PY -0.15069 0.05031 0.22067 -0.24757 -0.03579 163 2PZ 0.11584 0.12656 0.11075 -0.13670 0.06453 164 3S 3.56255 0.19736 1.44787 0.00121 -0.36927 165 3PX -1.02203 -0.08943 -1.81195 -0.14267 0.06566 166 3PY -2.25782 0.03663 1.70610 0.36984 0.01800 167 3PZ 1.26083 -0.11271 1.45177 0.15687 -0.08011 168 4XX 0.00254 0.00693 -0.01399 -0.01033 0.00996 169 4YY -0.00694 -0.00872 0.02035 0.02348 0.04658 170 4ZZ 0.00747 -0.00206 0.00216 -0.01748 0.01513 171 4XY -0.00894 0.00694 -0.00324 0.01906 -0.00378 172 4XZ -0.00498 0.00169 0.00246 0.01944 -0.03192 173 4YZ 0.00821 -0.00590 0.00469 -0.01970 0.00084 174 16 H 1S 0.04077 0.00367 0.03592 0.01152 0.07755 175 2S -1.03648 -0.08047 -0.42418 -0.04207 0.04266 176 17 H 1S -0.08384 0.07537 0.03334 0.01000 0.02084 177 2S 0.74125 0.00167 0.21737 0.02523 0.07763 178 18 H 1S -0.05307 -0.08385 0.07786 0.02350 -0.14640 179 2S -0.17321 -0.08967 -0.11360 -0.07990 -0.02179 180 19 H 1S 0.05307 -0.08412 -0.07699 0.02342 -0.14638 181 2S 0.17267 -0.08832 0.11376 -0.07993 -0.02132 182 20 H 1S 0.08362 0.07562 -0.03361 0.01004 0.02077 183 2S -0.74013 -0.00084 -0.21686 0.02503 0.07772 184 21 H 1S -0.04079 0.00353 -0.03622 0.01161 0.07758 185 2S 1.03632 -0.07626 0.42469 -0.04190 0.04274 186 22 H 1S -0.05932 0.13958 -0.06654 0.02986 0.16994 187 2S -0.28277 -0.06697 0.03740 -0.04885 -0.06066 188 23 H 1S 0.05915 0.14020 0.06581 0.02992 0.17017 189 2S 0.28296 -0.06705 -0.03715 -0.04897 -0.06079 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54652 0.54788 0.54867 0.56890 1 1 C 1S -0.00942 0.04603 -0.00525 -0.02162 0.01973 2 2S 0.01681 -0.04063 -0.16723 0.00664 -0.08551 3 2PX -0.33503 -0.15435 0.28703 0.00053 0.43682 4 2PY 0.06260 0.17747 0.13605 0.18573 -0.07081 5 2PZ -0.13058 -0.03300 0.02675 0.07961 -0.05815 6 3S -0.14375 -1.08428 -0.02070 -0.13293 -0.12357 7 3PX 0.40302 0.69672 -0.52369 -0.14766 -0.89878 8 3PY -0.19208 0.73283 -0.35993 -0.36137 0.13583 9 3PZ 0.17581 -0.27460 0.14570 -0.02899 0.07832 10 4XX -0.02495 -0.00928 -0.00465 0.00147 0.01663 11 4YY 0.00106 0.02245 -0.03016 -0.00954 -0.00742 12 4ZZ 0.00248 -0.01042 0.01518 -0.00793 0.02181 13 4XY 0.02334 0.01447 -0.04734 -0.00816 0.00659 14 4XZ 0.01122 -0.01172 0.01474 0.02025 -0.02827 15 4YZ -0.02611 -0.01523 0.00135 0.00890 0.00070 16 2 C 1S -0.00949 -0.04589 -0.00780 -0.02110 -0.01977 17 2S 0.01737 0.04878 -0.16491 0.00619 0.08358 18 2PX -0.33542 0.13937 0.29324 -0.00089 -0.43691 19 2PY -0.06255 0.18263 -0.12605 -0.18790 -0.07012 20 2PZ -0.13088 0.03190 0.02910 0.07922 0.05672 21 3S -0.14324 1.08336 0.03772 -0.14590 0.12763 22 3PX 0.40175 -0.66995 -0.55664 -0.14019 0.89783 23 3PY 0.19314 0.71575 0.39822 0.35281 0.13382 24 3PZ 0.17638 0.26908 0.15916 -0.03215 -0.07706 25 4XX -0.02496 0.00952 -0.00418 0.00140 -0.01647 26 4YY 0.00109 -0.02090 -0.03149 -0.00927 0.00724 27 4ZZ 0.00253 0.00950 0.01565 -0.00806 -0.02208 28 4XY -0.02337 0.01206 0.04799 0.00793 0.00652 29 4XZ 0.01115 0.01116 0.01559 0.02019 0.02840 30 4YZ 0.02614 -0.01537 -0.00232 -0.00876 0.00041 31 3 C 1S -0.01516 0.00001 -0.00355 -0.02241 0.00003 32 2S 0.14617 -0.00236 0.13284 0.25195 -0.00023 33 2PX 0.06788 -0.00334 0.17485 0.28195 0.00031 34 2PY 0.00064 -0.85334 -0.02249 0.00515 -0.25714 35 2PZ -0.45825 0.00329 -0.22537 -0.30890 -0.00021 36 3S -0.30170 0.00426 -0.23154 -0.34982 -0.00004 37 3PX -0.11516 0.01310 -0.63189 -0.66325 -0.00139 38 3PY -0.00109 1.46657 0.03849 -0.00927 0.53722 39 3PZ 0.94718 -0.01134 0.72531 0.94831 0.00084 40 4XX 0.02769 -0.00010 0.00796 0.01273 -0.00001 41 4YY -0.03414 0.00066 -0.02552 -0.01970 0.00005 42 4ZZ -0.03183 -0.00038 0.00560 -0.02081 -0.00004 43 4XY -0.00001 0.04316 0.00122 -0.00023 0.03031 44 4XZ -0.00049 0.00071 -0.03051 -0.01655 -0.00005 45 4YZ 0.00001 -0.05045 -0.00139 0.00030 -0.02431 46 4 O 1S -0.00214 -0.00740 0.00098 0.00439 -0.00341 47 2S -0.13993 0.09571 -0.00961 -0.15714 0.07759 48 2PX -0.10174 -0.02944 0.07635 -0.02765 0.10081 49 2PY 0.15678 -0.21170 0.03366 0.11806 -0.14970 50 2PZ -0.08783 0.05717 -0.03617 -0.04684 -0.04647 51 3S 0.61742 -0.27682 0.07011 0.57063 -0.54595 52 3PX -0.00933 0.21980 -0.04447 0.00859 0.04098 53 3PY -0.19738 0.01607 -0.02108 -0.15460 0.09882 54 3PZ -0.12238 -0.26006 0.05697 0.01398 0.02169 55 4XX -0.04010 0.02064 -0.01215 -0.03988 -0.00360 56 4YY 0.00211 -0.00087 0.02110 -0.00629 0.01378 57 4ZZ -0.04407 0.01496 -0.00985 -0.04227 -0.00361 58 4XY -0.00349 -0.05434 0.01684 0.01295 -0.00361 59 4XZ -0.03597 0.01563 0.01357 -0.02840 0.05655 60 4YZ -0.00375 0.05973 -0.02094 -0.01816 -0.00427 61 5 H 1S 0.09128 0.08661 0.00563 -0.12406 0.04011 62 2S 0.08634 -0.39798 0.30140 0.18888 0.03388 63 6 H 1S 0.09097 -0.08839 0.00040 -0.12327 -0.04153 64 2S 0.08684 0.38466 0.32267 0.18456 -0.03465 65 7 H 1S -0.16528 0.00186 -0.12981 -0.23030 -0.00021 66 2S -0.22741 0.00295 -0.19985 -0.31387 0.00010 67 8 O 1S -0.00211 0.00735 0.00137 0.00430 0.00343 68 2S -0.13997 -0.09663 -0.01517 -0.15608 -0.07793 69 2PX -0.10181 0.02499 0.07734 -0.02797 -0.10057 70 2PY -0.15662 -0.21041 -0.04515 -0.11558 -0.14898 71 2PZ -0.08780 -0.05647 -0.03907 -0.04635 0.04608 72 3S 0.61684 0.27857 0.08698 0.56772 0.54536 73 3PX -0.00955 -0.21734 -0.05586 0.01117 -0.04176 74 3PY 0.19741 0.01618 0.02215 0.15447 0.09892 75 3PZ -0.12186 0.25688 0.07060 0.01134 -0.02085 76 4XX -0.04011 -0.02042 -0.01325 -0.03963 0.00329 77 4YY 0.00208 -0.00051 0.02091 -0.00637 -0.01383 78 4ZZ -0.04398 -0.01470 -0.01066 -0.04206 0.00358 79 4XY 0.00358 -0.05351 -0.01965 -0.01228 -0.00363 80 4XZ -0.03599 -0.01663 0.01252 -0.02826 -0.05637 81 4YZ 0.00379 0.05878 0.02408 0.01756 -0.00435 82 9 H 1S 0.06053 0.00218 -0.09346 -0.06926 -0.00020 83 2S 0.03883 0.00450 -0.19541 -0.13721 -0.00062 84 10 C 1S -0.00607 -0.00114 0.00960 -0.00155 -0.04588 85 2S -0.18014 0.01931 0.09686 0.19026 -0.09184 86 2PX -0.01247 0.02154 -0.01782 0.19923 -0.01919 87 2PY -0.18858 -0.05000 -0.00244 0.09631 0.23965 88 2PZ 0.04486 0.04385 -0.16537 0.26753 -0.07362 89 3S 0.37976 0.05984 -0.15082 -0.28075 0.97593 90 3PX -0.09686 -0.01679 0.00034 -0.05754 -0.66291 91 3PY 0.22957 0.14545 -0.03546 -0.19745 -0.32873 92 3PZ -0.04057 0.00041 0.14724 -0.27170 0.61389 93 4XX 0.01532 -0.00496 -0.00706 0.00154 0.01364 94 4YY -0.04921 0.01482 0.01357 0.04495 -0.06030 95 4ZZ 0.00327 -0.00331 0.02893 -0.01493 -0.00276 96 4XY -0.00932 0.00507 -0.03007 0.01813 -0.00503 97 4XZ 0.00371 -0.00353 -0.04133 0.00947 0.03638 98 4YZ 0.00027 -0.00483 0.03180 0.00196 0.00583 99 11 C 1S 0.00900 0.00577 -0.00044 0.00290 0.01407 100 2S -0.00249 -0.04060 -0.05269 -0.00412 -0.08434 101 2PX -0.10645 0.08720 0.07037 0.10162 -0.31267 102 2PY 0.03804 -0.07126 -0.15592 -0.08887 0.03836 103 2PZ -0.12383 -0.07875 -0.04464 0.04575 0.10998 104 3S -0.34108 0.12444 0.16712 0.27670 -1.12947 105 3PX 0.14035 -0.16036 -0.19035 -0.04829 0.10165 106 3PY -0.32875 0.12610 0.27453 0.41220 -0.75662 107 3PZ 0.35674 -0.01547 0.02181 -0.03808 0.21393 108 4XX 0.01346 -0.00306 -0.02928 0.00055 0.00212 109 4YY 0.01941 0.00333 0.05576 -0.00768 -0.01850 110 4ZZ -0.02602 -0.00132 -0.03672 0.01725 -0.00658 111 4XY 0.00178 -0.00200 0.00004 -0.01276 -0.00498 112 4XZ 0.01486 -0.00916 0.00265 -0.02604 0.04099 113 4YZ -0.03552 0.01188 0.01278 0.01921 -0.02394 114 12 C 1S 0.00315 -0.00388 0.00060 0.00101 0.00271 115 2S -0.11637 0.04473 -0.06147 0.09932 -0.11703 116 2PX -0.01475 0.10837 -0.06223 0.23150 -0.04361 117 2PY 0.07424 0.07918 -0.19107 0.06699 0.05917 118 2PZ 0.27260 -0.11567 0.09663 -0.26987 0.17047 119 3S 0.15247 -0.28122 -0.18194 -0.21658 0.56242 120 3PX -0.00004 0.04142 0.11969 -0.26152 0.31113 121 3PY -0.04444 -0.16636 0.24883 -0.11880 0.30864 122 3PZ -0.32936 0.08700 -0.05831 0.35080 -0.42797 123 4XX 0.00286 0.00909 0.02674 -0.03046 0.00329 124 4YY -0.00474 -0.00803 -0.04707 0.02862 -0.00349 125 4ZZ -0.01540 -0.00867 -0.00749 0.01717 0.00007 126 4XY -0.00627 0.00164 0.02257 -0.01525 -0.00010 127 4XZ 0.02148 0.00668 -0.00190 0.01411 -0.01260 128 4YZ -0.00576 -0.00336 -0.03321 -0.01489 0.00844 129 13 C 1S 0.00316 0.00387 0.00075 0.00090 -0.00260 130 2S -0.11651 -0.04066 -0.06303 0.09992 0.11637 131 2PX -0.01434 -0.10191 -0.06767 0.23212 0.04365 132 2PY -0.07468 0.06853 0.19514 -0.06759 0.05666 133 2PZ 0.27286 0.10820 0.10180 -0.27140 -0.16848 134 3S 0.15293 0.28789 -0.16847 -0.21931 -0.55880 135 3PX -0.00061 -0.05119 0.11724 -0.25985 -0.31143 136 3PY 0.04483 -0.15280 -0.25491 0.11956 0.31201 137 3PZ -0.32979 -0.08101 -0.06299 0.35104 0.42633 138 4XX 0.00288 -0.01079 0.02632 -0.03029 -0.00345 139 4YY -0.00475 0.01066 -0.04666 0.02846 0.00384 140 4ZZ -0.01542 0.00927 -0.00698 0.01705 -0.00002 141 4XY 0.00623 0.00307 -0.02241 0.01516 0.00012 142 4XZ 0.02145 -0.00630 -0.00229 0.01436 0.01264 143 4YZ 0.00580 -0.00501 0.03297 0.01497 0.00824 144 14 C 1S 0.00900 -0.00570 -0.00075 0.00302 -0.01444 145 2S -0.00204 0.04379 -0.05051 -0.00530 0.08371 146 2PX -0.10655 -0.08914 0.06699 0.10201 0.31256 147 2PY -0.03801 -0.07889 0.15225 0.08988 0.03756 148 2PZ -0.12382 0.08173 -0.04130 0.04421 -0.10949 149 3S -0.34212 -0.13139 0.16552 0.27661 1.12962 150 3PX 0.14082 0.16964 -0.18107 -0.05030 -0.09860 151 3PY 0.32872 0.13699 -0.26995 -0.41215 -0.75497 152 3PZ 0.35745 0.01469 0.01927 -0.03782 -0.21737 153 4XX 0.01347 0.00465 -0.02909 0.00048 -0.00181 154 4YY 0.01938 -0.00636 0.05561 -0.00762 0.01796 155 4ZZ -0.02594 0.00346 -0.03662 0.01711 0.00631 156 4XY -0.00181 -0.00191 -0.00020 0.01288 -0.00458 157 4XZ 0.01477 0.00872 0.00298 -0.02603 -0.04044 158 4YZ 0.03565 0.01226 -0.01205 -0.01938 -0.02377 159 15 C 1S -0.00607 0.00064 0.00981 -0.00163 0.04600 160 2S -0.18008 -0.02189 0.09617 0.19044 0.09082 161 2PX -0.01276 -0.01797 -0.01888 0.19921 0.02033 162 2PY 0.18849 -0.05124 0.00070 -0.09611 0.23722 163 2PZ 0.04512 -0.03194 -0.16731 0.26774 0.07342 164 3S 0.37960 -0.05491 -0.15653 -0.27761 -0.97539 165 3PX -0.09665 0.01528 0.00472 -0.05894 0.66262 166 3PY -0.22980 0.14570 0.03865 0.19618 -0.32452 167 3PZ -0.04119 -0.01106 0.14470 -0.26978 -0.61415 168 4XX 0.01530 0.00530 -0.00685 0.00156 -0.01361 169 4YY -0.04919 -0.01494 0.01315 0.04506 0.06045 170 4ZZ 0.00328 0.00172 0.02896 -0.01500 0.00255 171 4XY 0.00939 0.00327 0.03028 -0.01827 -0.00529 172 4XZ 0.00374 0.00574 -0.04117 0.00941 -0.03632 173 4YZ -0.00036 -0.00318 -0.03205 -0.00181 0.00621 174 16 H 1S -0.01085 0.01263 0.26253 -0.05626 -0.16881 175 2S -0.04798 0.06879 -0.11810 0.01295 0.20212 176 17 H 1S 0.04043 0.05045 0.26430 -0.01700 -0.11435 177 2S -0.13421 0.00953 -0.08788 0.20358 -0.24312 178 18 H 1S -0.00184 0.00949 0.15825 -0.13181 0.08313 179 2S -0.01813 0.15970 0.01305 0.10755 0.22192 180 19 H 1S -0.00177 -0.01940 0.15752 -0.13167 -0.08402 181 2S -0.01803 -0.15899 0.00405 0.10955 -0.22176 182 20 H 1S 0.04055 -0.06450 0.26180 -0.01640 0.11109 183 2S -0.13447 -0.00308 -0.08772 0.20306 0.24353 184 21 H 1S -0.01084 -0.02691 0.26216 -0.05617 0.16765 185 2S -0.04798 -0.06225 -0.12178 0.01439 -0.20170 186 22 H 1S 0.06260 0.00584 0.06192 0.05800 -0.06051 187 2S -0.05183 -0.04533 -0.01895 -0.02785 -0.01683 188 23 H 1S 0.06258 -0.00796 0.06163 0.05835 0.06023 189 2S -0.05190 0.04620 -0.01644 -0.02836 0.01691 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60744 0.61336 0.61823 0.63631 1 1 C 1S -0.00538 -0.01845 -0.01186 -0.00922 -0.01506 2 2S -0.34703 -0.22764 -0.13615 -0.21859 0.14291 3 2PX 0.10538 0.17677 0.12690 0.04166 0.01507 4 2PY -0.05888 -0.33566 0.16370 -0.07244 -0.23671 5 2PZ -0.12406 -0.23570 0.04773 -0.12879 -0.11715 6 3S 0.64593 0.65824 -0.03091 0.46938 -0.68246 7 3PX -0.26146 -0.53536 -0.14505 -0.14750 -0.17716 8 3PY 0.15881 0.33221 -0.39607 0.21103 0.76794 9 3PZ 0.19488 0.51815 0.00372 0.06990 -0.15586 10 4XX 0.01609 0.02774 -0.02586 0.00556 0.05014 11 4YY -0.03574 -0.06443 -0.03825 -0.01249 -0.04373 12 4ZZ -0.01964 0.00826 0.02280 -0.02894 0.00407 13 4XY -0.01728 -0.00322 -0.01262 -0.01364 0.00552 14 4XZ 0.01743 -0.00246 0.01810 0.01517 0.00567 15 4YZ 0.04660 0.00461 0.00035 0.05787 0.00839 16 2 C 1S -0.00530 0.01846 -0.01212 -0.00873 0.01492 17 2S -0.34868 0.22915 -0.13661 -0.21501 -0.14480 18 2PX 0.10924 -0.17586 0.12865 0.03823 -0.01368 19 2PY 0.06220 -0.33812 -0.15994 0.06657 -0.23844 20 2PZ -0.12603 0.23755 0.04654 -0.12542 0.11710 21 3S 0.64497 -0.66278 -0.03018 0.45398 0.68330 22 3PX -0.26902 0.53536 -0.15028 -0.13565 0.17453 23 3PY -0.16484 0.33821 0.39004 -0.20866 0.77103 24 3PZ 0.19651 -0.51823 0.00477 0.06082 0.15752 25 4XX 0.01640 -0.02779 -0.02544 0.00513 -0.05027 26 4YY -0.03616 0.06426 -0.03900 -0.01118 0.04331 27 4ZZ -0.01957 -0.00776 0.02293 -0.02929 -0.00395 28 4XY 0.01722 -0.00336 0.01256 0.01355 0.00565 29 4XZ 0.01717 0.00243 0.01813 0.01524 -0.00557 30 4YZ -0.04670 0.00557 -0.00060 -0.05775 0.00840 31 3 C 1S 0.00670 -0.00003 -0.00312 0.00173 -0.00003 32 2S -0.03526 0.00009 0.00718 -0.03272 -0.00025 33 2PX 0.08788 0.00055 0.02116 -0.02739 0.00009 34 2PY 0.00130 0.04610 -0.00010 0.00113 0.00716 35 2PZ -0.04558 0.00101 -0.08462 -0.12310 -0.00048 36 3S -0.01880 0.00009 0.07424 0.07530 0.00093 37 3PX -0.46602 -0.00093 -0.14474 -0.05348 -0.00090 38 3PY -0.00309 -0.09965 0.00017 -0.00271 -0.07583 39 3PZ 0.29358 -0.00366 0.34196 0.51999 0.00209 40 4XX 0.00062 -0.00004 0.01687 0.00842 0.00006 41 4YY -0.00667 -0.00018 -0.01210 0.01985 -0.00007 42 4ZZ 0.00257 0.00018 -0.01033 -0.02787 -0.00008 43 4XY -0.00014 0.02053 -0.00006 0.00018 0.01141 44 4XZ -0.03120 0.00018 -0.01175 -0.03020 -0.00010 45 4YZ 0.00011 -0.00656 -0.00001 0.00004 0.00526 46 4 O 1S 0.00314 0.00518 -0.00039 0.00274 0.00255 47 2S -0.02608 -0.02836 -0.01975 -0.06365 -0.05468 48 2PX 0.05853 0.07616 -0.00563 -0.02935 0.01944 49 2PY -0.10216 -0.09167 0.03148 -0.13927 -0.02635 50 2PZ -0.03124 -0.05411 -0.04674 -0.04850 0.04061 51 3S -0.12108 -0.39321 0.09267 -0.00120 0.03990 52 3PX -0.10639 -0.16405 0.02348 -0.05527 -0.02390 53 3PY 0.01690 0.07619 0.03001 0.02784 -0.03755 54 3PZ 0.10292 0.11058 -0.00128 0.03114 0.03703 55 4XX -0.03148 -0.04981 0.00171 -0.03311 -0.03829 56 4YY -0.00109 0.00519 -0.00503 -0.02288 -0.00369 57 4ZZ -0.00322 -0.00942 -0.00508 -0.01455 -0.00617 58 4XY 0.01984 0.01715 -0.00226 0.02111 -0.00114 59 4XZ 0.03186 0.05516 0.00726 0.01505 0.01019 60 4YZ -0.00811 -0.01171 -0.00717 -0.00993 0.00316 61 5 H 1S -0.17082 -0.09315 -0.00173 -0.28425 -0.20291 62 2S 0.04918 0.04671 0.18046 0.01131 -0.24400 63 6 H 1S -0.17141 0.09730 -0.00360 -0.28257 0.20208 64 2S 0.04834 -0.04637 0.17975 0.00937 0.24581 65 7 H 1S -0.08740 0.00114 -0.10552 -0.19897 -0.00079 66 2S -0.05870 0.00143 -0.14892 -0.19902 -0.00098 67 8 O 1S 0.00311 -0.00517 -0.00034 0.00261 -0.00250 68 2S -0.02551 0.02903 -0.02024 -0.06282 0.05414 69 2PX 0.05983 -0.07524 -0.00501 -0.03057 -0.01939 70 2PY 0.10405 -0.09385 -0.03084 0.13821 -0.02634 71 2PZ -0.03171 0.05459 -0.04684 -0.04740 -0.04110 72 3S -0.12706 0.39266 0.09065 0.00511 -0.03953 73 3PX -0.10635 0.16437 0.02245 -0.05184 0.02366 74 3PY -0.01804 0.07621 -0.03019 -0.02644 -0.03810 75 3PZ 0.10311 -0.11039 -0.00029 0.02847 -0.03673 76 4XX -0.03175 0.05017 0.00128 -0.03220 0.03816 77 4YY -0.00095 -0.00486 -0.00502 -0.02296 0.00355 78 4ZZ -0.00329 0.00963 -0.00521 -0.01431 0.00609 79 4XY -0.01990 0.01759 0.00221 -0.02081 -0.00112 80 4XZ 0.03257 -0.05522 0.00764 0.01409 -0.01008 81 4YZ 0.00813 -0.01187 0.00725 0.00962 0.00320 82 9 H 1S -0.08732 -0.00008 0.00098 -0.02259 -0.00019 83 2S -0.20520 -0.00088 -0.09480 -0.00122 -0.00060 84 10 C 1S 0.02323 -0.01963 -0.00849 -0.02393 0.02651 85 2S -0.06312 0.14568 -0.12686 -0.22162 -0.02200 86 2PX 0.22338 0.05271 -0.48179 -0.08512 -0.27028 87 2PY 0.28097 -0.11336 0.06883 -0.17396 -0.07817 88 2PZ -0.12512 0.25309 -0.26151 0.06664 -0.15316 89 3S -0.05124 -0.01319 0.11574 0.67987 -0.29939 90 3PX -0.19588 -0.31416 0.61731 -0.09782 0.61437 91 3PY -0.30041 -0.25189 -0.23278 0.19501 -0.08436 92 3PZ 0.02307 0.02131 0.09224 0.11299 -0.10003 93 4XX -0.01065 -0.00297 0.01412 -0.02522 0.02656 94 4YY 0.02697 0.01852 -0.00212 -0.04636 0.01850 95 4ZZ 0.00417 -0.00155 -0.06270 0.00917 -0.02968 96 4XY 0.01575 -0.00209 -0.02494 0.01465 0.01090 97 4XZ -0.01715 0.01518 0.04328 0.03493 -0.01487 98 4YZ -0.02144 0.00112 -0.02855 -0.02744 0.00035 99 11 C 1S -0.04650 0.03167 -0.00310 0.02896 0.00118 100 2S 0.00237 0.03587 -0.14753 -0.06666 -0.05574 101 2PX -0.02125 0.01650 -0.15792 0.19138 -0.12262 102 2PY 0.11269 -0.11538 -0.06901 0.08196 0.01368 103 2PZ 0.00265 0.12636 -0.05756 0.22953 -0.47175 104 3S -0.11359 0.08284 0.47043 -0.23619 0.47146 105 3PX 0.30307 -0.44792 0.09870 -0.43341 0.18828 106 3PY -0.07331 0.25426 0.41693 -0.77550 0.27016 107 3PZ -0.12868 0.32319 0.04871 -0.09382 0.60636 108 4XX 0.02326 -0.01986 -0.01641 0.03090 -0.01821 109 4YY -0.03230 0.03866 -0.02973 -0.03226 0.01876 110 4ZZ -0.04540 0.03144 0.02853 0.01893 -0.00445 111 4XY -0.03583 0.02156 -0.02097 0.01444 -0.02077 112 4XZ 0.06395 -0.05119 -0.02230 -0.00571 -0.01097 113 4YZ -0.01027 0.03595 -0.02638 0.01202 -0.01814 114 12 C 1S 0.01478 -0.00260 -0.00437 -0.00864 -0.02528 115 2S -0.12558 0.14544 0.01615 -0.01844 0.23390 116 2PX -0.00966 0.09659 0.16327 -0.06101 0.07877 117 2PY 0.24549 0.05145 0.05371 -0.33618 0.31967 118 2PZ 0.33577 -0.38547 -0.05251 0.02325 0.01602 119 3S 0.32999 -0.51091 -0.01532 -0.10760 -1.00028 120 3PX -0.05163 -0.20544 -0.29556 0.19696 -0.18790 121 3PY -0.35246 0.00447 -0.17677 0.64609 -0.75696 122 3PZ -0.39554 1.03946 0.28356 -0.18725 0.11076 123 4XX -0.00549 -0.01740 -0.02321 0.03476 0.03149 124 4YY 0.01433 0.00293 0.02676 -0.06359 -0.03128 125 4ZZ -0.00032 0.02020 -0.00271 0.00968 -0.00900 126 4XY -0.01814 0.00335 -0.01070 -0.00899 0.00509 127 4XZ 0.00128 -0.00825 0.00989 0.01340 0.02609 128 4YZ 0.00829 0.00027 0.00260 0.04204 -0.01759 129 13 C 1S 0.01473 0.00282 -0.00451 -0.00853 0.02528 130 2S -0.12529 -0.14556 0.01797 -0.02146 -0.23419 131 2PX -0.00884 -0.09496 0.16390 -0.06225 -0.07769 132 2PY -0.24724 0.04304 -0.05533 0.33752 0.31932 133 2PZ 0.33493 0.38676 -0.05420 0.03090 -0.01458 134 3S 0.33051 0.51450 -0.02192 -0.09777 1.00039 135 3PX -0.05045 0.20029 -0.29595 0.20018 0.18549 136 3PY 0.35060 0.02049 0.17941 -0.64546 -0.75593 137 3PZ -0.39459 -1.03752 0.28872 -0.20795 -0.11229 138 4XX -0.00542 0.01670 -0.02307 0.03503 -0.03166 139 4YY 0.01431 -0.00156 0.02663 -0.06347 0.03138 140 4ZZ -0.00035 -0.02045 -0.00269 0.00919 0.00901 141 4XY 0.01810 0.00333 0.01062 0.00905 0.00523 142 4XZ 0.00124 0.00790 0.01007 0.01349 -0.02592 143 4YZ -0.00832 0.00090 -0.00248 -0.04215 -0.01766 144 14 C 1S -0.04615 -0.03241 -0.00287 0.02831 -0.00132 145 2S 0.00201 -0.03481 -0.14774 -0.06689 0.05518 146 2PX -0.02409 -0.02116 -0.15855 0.19067 0.12161 147 2PY -0.11208 -0.11411 0.06984 -0.08480 0.01273 148 2PZ 0.00283 -0.13069 -0.05883 0.22675 0.47135 149 3S -0.12376 -0.07875 0.47159 -0.23657 -0.46935 150 3PX 0.30162 0.45774 0.09748 -0.42455 -0.18775 151 3PY 0.07885 0.24071 -0.41899 0.77928 0.26929 152 3PZ -0.12371 -0.32208 0.05227 -0.09974 -0.60554 153 4XX 0.02309 0.01937 -0.01657 0.03120 0.01820 154 4YY -0.03209 -0.03841 -0.02948 -0.03287 -0.01896 155 4ZZ -0.04528 -0.03172 0.02869 0.01836 0.00443 156 4XY 0.03573 0.02200 0.02096 -0.01393 -0.02053 157 4XZ 0.06398 0.05146 -0.02260 -0.00479 0.01100 158 4YZ 0.01043 0.03641 0.02622 -0.01150 -0.01806 159 15 C 1S 0.02272 0.02009 -0.00855 -0.02350 -0.02650 160 2S -0.06282 -0.14303 -0.12596 -0.22438 0.02163 161 2PX 0.22281 -0.05247 -0.48300 -0.08635 0.26878 162 2PY -0.28197 -0.11764 -0.06841 0.17161 -0.07911 163 2PZ -0.12526 -0.25653 -0.26106 0.06171 0.15187 164 3S -0.04277 0.00222 0.11451 0.67815 0.29993 165 3PX -0.20278 0.31786 0.61809 -0.09038 -0.61214 166 3PY 0.30419 -0.24566 0.23562 -0.20022 -0.08313 167 3PZ 0.02960 -0.02273 0.09276 0.11179 0.09990 168 4XX -0.01049 0.00334 0.01419 -0.02510 -0.02656 169 4YY 0.02649 -0.01767 -0.00208 -0.04678 -0.01837 170 4ZZ 0.00416 0.00113 -0.06271 0.00923 0.02944 171 4XY -0.01574 -0.00175 0.02485 -0.01472 0.01088 172 4XZ -0.01684 -0.01561 0.04339 0.03450 0.01496 173 4YZ 0.02139 0.00083 0.02869 0.02737 0.00048 174 16 H 1S 0.01190 -0.03921 -0.20328 -0.23062 0.06894 175 2S -0.00122 0.13846 -0.08631 0.12433 -0.16924 176 17 H 1S -0.23810 0.16206 -0.10914 -0.05822 0.02449 177 2S 0.00972 0.03566 0.24763 -0.31264 0.05975 178 18 H 1S -0.01298 -0.06848 -0.15672 0.00545 -0.03359 179 2S -0.01875 -0.01969 -0.09259 0.12484 -0.13525 180 19 H 1S -0.01228 0.06777 -0.15710 0.00692 0.03266 181 2S -0.01635 0.01742 -0.09272 0.12570 0.13459 182 20 H 1S -0.23770 -0.16268 -0.10812 -0.06099 -0.02548 183 2S 0.00750 -0.02933 0.24781 -0.31286 -0.05829 184 21 H 1S 0.01045 0.04222 -0.20340 -0.22970 -0.06992 185 2S 0.00153 -0.14088 -0.08613 0.12119 0.16871 186 22 H 1S 0.02484 -0.02306 -0.06157 0.03817 -0.04348 187 2S 0.03075 -0.10438 -0.06906 0.06431 -0.16959 188 23 H 1S 0.02427 0.02198 -0.06174 0.03847 0.04348 189 2S 0.03024 0.10343 -0.07077 0.06648 0.16999 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71284 0.72293 0.74095 1 1 C 1S 0.00162 -0.01347 0.00633 -0.01659 -0.00628 2 2S -0.09394 0.02682 -0.16133 -0.11897 -0.33807 3 2PX 0.29316 0.08915 -0.01210 0.09337 0.31784 4 2PY 0.09445 -0.20671 -0.16833 -0.02608 0.38082 5 2PZ 0.10979 -0.05408 -0.22014 0.06884 -0.00982 6 3S 0.51410 -0.34669 0.49659 0.50405 1.87018 7 3PX -0.68327 -0.25226 -0.15950 -0.02666 -1.00355 8 3PY -0.32341 0.69158 0.38017 0.19733 -1.04118 9 3PZ -0.05538 -0.03085 0.45844 0.00826 0.60636 10 4XX -0.01611 0.03514 0.03098 -0.02271 -0.01318 11 4YY 0.01973 -0.03980 0.00450 -0.01107 0.05507 12 4ZZ 0.00313 -0.00453 -0.03595 0.00311 -0.02749 13 4XY -0.00423 0.00345 -0.03105 -0.02831 -0.01744 14 4XZ -0.00649 -0.00722 -0.00866 0.00055 -0.00355 15 4YZ 0.00045 0.00719 -0.00736 0.00890 0.00512 16 2 C 1S -0.00156 0.01344 0.00639 -0.01665 0.00626 17 2S 0.09464 -0.02739 -0.16178 -0.11932 0.33714 18 2PX -0.29383 -0.08898 -0.01262 0.09469 -0.32075 19 2PY 0.09446 -0.20707 0.16797 0.02536 0.38137 20 2PZ -0.10997 0.05356 -0.22095 0.06993 0.00932 21 3S -0.51672 0.34690 0.50014 0.50555 -1.86992 22 3PX 0.68363 0.25153 -0.15917 -0.02973 1.00726 23 3PY -0.32245 0.69211 -0.37584 -0.19822 -1.04114 24 3PZ 0.05471 0.03237 0.46054 0.00605 -0.60818 25 4XX 0.01618 -0.03510 0.03092 -0.02277 0.01329 26 4YY -0.01972 0.03969 0.00468 -0.01103 -0.05514 27 4ZZ -0.00311 0.00449 -0.03591 0.00302 0.02722 28 4XY -0.00437 0.00341 0.03106 0.02841 -0.01778 29 4XZ 0.00651 0.00721 -0.00862 0.00054 0.00397 30 4YZ 0.00051 0.00725 0.00744 -0.00894 0.00437 31 3 C 1S 0.00001 -0.00001 -0.00782 -0.00063 0.00011 32 2S 0.00015 -0.00038 -0.02795 0.03197 0.00095 33 2PX 0.00018 -0.00009 0.14194 -0.04273 0.00043 34 2PY 0.00691 -0.11709 -0.00032 0.00006 -0.00315 35 2PZ 0.00028 -0.00033 0.19915 -0.00978 0.00029 36 3S -0.00044 0.00079 0.07493 -0.03184 -0.00217 37 3PX -0.00029 -0.00001 -0.55957 0.11937 -0.00014 38 3PY -0.02808 0.23150 0.00032 0.00011 -0.09587 39 3PZ -0.00113 0.00086 -0.30166 0.09418 -0.00210 40 4XX -0.00001 -0.00002 -0.01675 0.00897 0.00008 41 4YY -0.00003 0.00000 0.00978 0.02203 0.00022 42 4ZZ 0.00006 -0.00005 0.00297 -0.01697 0.00005 43 4XY 0.01310 0.01828 0.00005 -0.00003 0.02574 44 4XZ 0.00006 -0.00002 -0.03376 -0.01116 0.00009 45 4YZ -0.00173 -0.01541 0.00000 0.00004 -0.01046 46 4 O 1S 0.00049 0.00502 0.00676 0.00639 0.00804 47 2S 0.03374 -0.00170 -0.02274 0.00864 0.04054 48 2PX 0.05320 0.09547 0.18958 0.02519 0.09206 49 2PY -0.02574 -0.10278 -0.10313 -0.06955 -0.07035 50 2PZ 0.00904 0.10305 0.08273 0.01036 0.05292 51 3S -0.25024 -0.25298 -0.28647 -0.18743 -0.61497 52 3PX -0.04254 -0.08572 -0.22146 -0.10712 -0.24738 53 3PY 0.05019 0.05931 0.07796 0.06083 0.16514 54 3PZ 0.06203 -0.02930 0.03336 0.01407 0.09677 55 4XX 0.00805 -0.02377 -0.04356 0.00606 0.00337 56 4YY 0.00439 0.01182 -0.00041 -0.00064 -0.00710 57 4ZZ 0.00239 -0.00410 0.00698 0.00565 0.02208 58 4XY 0.00572 -0.00624 0.00981 0.00274 0.02697 59 4XZ 0.01984 0.01619 0.02282 0.00366 0.03058 60 4YZ -0.02319 0.00587 -0.00950 -0.01704 -0.04018 61 5 H 1S 0.02645 -0.17415 0.04801 -0.06128 -0.07926 62 2S 0.06697 -0.13556 0.01313 -0.06253 0.39599 63 6 H 1S -0.02562 0.17386 0.04841 -0.06215 0.07766 64 2S -0.06719 0.13607 0.01519 -0.06355 -0.39483 65 7 H 1S 0.00044 -0.00018 -0.08947 -0.09413 0.00078 66 2S 0.00055 -0.00041 0.25195 0.00821 0.00164 67 8 O 1S -0.00053 -0.00500 0.00674 0.00641 -0.00808 68 2S -0.03344 0.00134 -0.02272 0.00862 -0.03993 69 2PX -0.05321 -0.09549 0.18937 0.02554 -0.09325 70 2PY -0.02628 -0.10250 0.10289 0.06973 -0.06993 71 2PZ -0.00887 -0.10339 0.08236 0.01099 -0.05243 72 3S 0.25058 0.25306 -0.28651 -0.18845 0.61548 73 3PX 0.04295 0.08556 -0.22122 -0.10770 0.24859 74 3PY 0.05066 0.05893 -0.07835 -0.06097 0.16576 75 3PZ -0.06211 0.02954 0.03327 0.01431 -0.09719 76 4XX -0.00799 0.02364 -0.04352 0.00606 -0.00319 77 4YY -0.00419 -0.01195 -0.00051 -0.00071 0.00742 78 4ZZ -0.00240 0.00405 0.00702 0.00572 -0.02203 79 4XY 0.00579 -0.00620 -0.00998 -0.00274 0.02691 80 4XZ -0.01988 -0.01615 0.02287 0.00370 -0.03074 81 4YZ -0.02327 0.00578 0.00949 0.01716 -0.04014 82 9 H 1S 0.00016 -0.00010 -0.21844 -0.02982 0.00082 83 2S -0.00021 -0.00009 -0.28142 0.08691 -0.00009 84 10 C 1S 0.04391 0.04066 -0.02178 -0.00069 0.02264 85 2S -0.18397 0.01587 -0.19132 0.03963 -0.11400 86 2PX 0.42783 -0.01932 0.02962 0.14995 -0.36896 87 2PY -0.24092 -0.19989 -0.18973 0.00885 -0.10092 88 2PZ 0.16946 0.06692 0.12695 0.11393 -0.23554 89 3S 0.67987 0.05679 -0.49848 0.33141 0.36478 90 3PX -0.68442 0.01985 0.18052 -0.43879 0.95638 91 3PY 0.61348 -0.00943 0.28712 -0.07998 0.15629 92 3PZ -0.27598 -0.18058 -0.44554 -0.18062 0.41045 93 4XX -0.01811 0.00019 -0.01705 -0.00210 -0.00077 94 4YY 0.05577 0.03381 -0.03674 0.00929 0.01797 95 4ZZ 0.00469 0.01637 -0.01255 0.00320 -0.01684 96 4XY 0.00616 -0.00960 -0.05110 0.03836 0.00909 97 4XZ -0.04062 -0.04481 0.05949 -0.00279 -0.01312 98 4YZ -0.01271 0.00697 0.03754 -0.01355 -0.00679 99 11 C 1S -0.01595 0.00040 0.01539 0.00173 0.01016 100 2S 0.13175 0.19978 -0.31518 -0.15373 0.06348 101 2PX 0.20746 0.02780 -0.21993 -0.28050 0.33279 102 2PY 0.09167 0.22014 -0.38871 0.10264 -0.03186 103 2PZ -0.16076 -0.02577 0.03704 -0.57873 0.07538 104 3S -0.52108 -0.56615 0.75350 0.51641 0.17942 105 3PX 0.05377 -0.06070 0.79394 0.18778 -0.62537 106 3PY -0.31285 -0.59662 0.95318 -0.29004 0.04566 107 3PZ 0.20066 0.12222 -0.14050 1.37141 -0.12558 108 4XX 0.03424 0.01575 -0.00043 0.00463 -0.00746 109 4YY -0.02156 0.01498 0.02486 -0.04492 -0.00844 110 4ZZ -0.01794 -0.02118 -0.01897 0.02179 0.03452 111 4XY -0.01046 0.01119 -0.00622 -0.01325 0.01551 112 4XZ 0.03367 -0.00776 -0.01106 -0.00161 -0.00880 113 4YZ 0.02063 -0.02492 -0.01122 0.01095 0.00461 114 12 C 1S -0.01274 0.02763 0.00405 -0.02147 -0.00421 115 2S 0.06140 -0.31586 -0.10735 0.11661 0.02061 116 2PX -0.07104 0.01420 0.09499 0.04715 -0.06436 117 2PY 0.29699 -0.45397 0.08291 -0.29118 -0.06808 118 2PZ 0.11988 0.24313 -0.14139 -0.10943 -0.12238 119 3S -0.24918 1.09483 0.30044 -0.91075 0.10174 120 3PX 0.11623 0.11567 -0.30765 -0.18947 0.20465 121 3PY -0.62663 1.47272 -0.39017 0.66604 0.24905 122 3PZ -0.33525 -0.97793 0.40988 0.37471 0.37971 123 4XX 0.01799 -0.00982 -0.02299 0.03436 -0.00562 124 4YY -0.02986 0.03737 0.01027 -0.01435 0.00681 125 4ZZ 0.00502 -0.02594 0.00641 -0.04539 -0.00219 126 4XY -0.00139 0.00090 -0.01803 0.02755 0.00030 127 4XZ 0.00006 0.01836 0.01221 0.00582 -0.00845 128 4YZ -0.00871 0.00213 -0.06662 0.00371 0.00204 129 13 C 1S 0.01275 -0.02764 0.00405 -0.02145 0.00393 130 2S -0.06139 0.31574 -0.10750 0.11673 -0.02074 131 2PX 0.07081 -0.01406 0.09366 0.04708 0.06427 132 2PY 0.29709 -0.45322 -0.08276 0.29209 -0.06544 133 2PZ -0.11994 -0.24334 -0.14106 -0.11029 0.11902 134 3S 0.24939 -1.09504 0.30128 -0.91110 -0.11028 135 3PX -0.11523 -0.11573 -0.30383 -0.18934 -0.20532 136 3PY -0.62653 1.47015 0.38829 -0.66742 0.24461 137 3PZ 0.33551 0.97953 0.40900 0.37800 -0.36853 138 4XX -0.01802 0.00982 -0.02290 0.03434 0.00578 139 4YY 0.02992 -0.03746 0.01011 -0.01431 -0.00694 140 4ZZ -0.00502 0.02598 0.00649 -0.04538 0.00162 141 4XY -0.00150 0.00093 0.01798 -0.02750 0.00004 142 4XZ -0.00001 -0.01831 0.01206 0.00580 0.00865 143 4YZ -0.00852 0.00188 0.06657 -0.00359 0.00276 144 14 C 1S 0.01597 -0.00039 0.01539 0.00180 -0.01016 145 2S -0.13225 -0.19968 -0.31497 -0.15322 -0.06696 146 2PX -0.20654 -0.02803 -0.22110 -0.27835 -0.32888 147 2PY 0.09189 0.21985 0.38878 -0.10153 -0.03016 148 2PZ 0.16131 0.02626 0.03817 -0.57853 -0.08166 149 3S 0.52306 0.56507 0.74998 0.51933 -0.17286 150 3PX -0.05504 0.06065 0.79458 0.18579 0.61687 151 3PY -0.31451 -0.59504 -0.95142 0.28592 0.04328 152 3PZ -0.20234 -0.12264 -0.14230 1.37122 0.14171 153 4XX -0.03424 -0.01573 -0.00044 0.00461 0.00732 154 4YY 0.02155 -0.01494 0.02477 -0.04479 0.00810 155 4ZZ 0.01796 0.02115 -0.01897 0.02198 -0.03445 156 4XY -0.01042 0.01115 0.00605 0.01332 0.01605 157 4XZ -0.03372 0.00785 -0.01100 -0.00165 0.00923 158 4YZ 0.02063 -0.02494 0.01132 -0.01111 0.00445 159 15 C 1S -0.04386 -0.04069 -0.02181 -0.00063 -0.02235 160 2S 0.18420 -0.01615 -0.19123 0.03946 0.11249 161 2PX -0.42801 0.01929 0.02947 0.14731 0.36962 162 2PY -0.24140 -0.19969 0.19037 -0.00933 -0.10304 163 2PZ -0.17011 -0.06735 0.12755 0.11204 0.23353 164 3S -0.68059 -0.05508 -0.49678 0.32996 -0.35601 165 3PX 0.68511 -0.02013 0.17893 -0.43183 -0.95892 166 3PY 0.61446 -0.00957 -0.28697 0.08011 0.16158 167 3PZ 0.27712 0.18117 -0.44450 -0.17894 -0.40760 168 4XX 0.01810 -0.00022 -0.01730 -0.00198 0.00087 169 4YY -0.05562 -0.03390 -0.03645 0.00914 -0.01773 170 4ZZ -0.00476 -0.01633 -0.01257 0.00318 0.01668 171 4XY 0.00629 -0.00963 0.05104 -0.03839 0.00892 172 4XZ 0.04064 0.04480 0.05965 -0.00288 0.01277 173 4YZ -0.01272 0.00705 -0.03756 0.01360 -0.00647 174 16 H 1S 0.15115 0.17440 -0.03562 -0.04068 0.03806 175 2S 0.04231 -0.24945 -0.17718 0.10267 -0.11792 176 17 H 1S -0.14262 0.13509 0.05765 -0.09203 -0.02617 177 2S 0.00318 -0.13483 0.31172 -0.05844 0.02146 178 18 H 1S -0.02422 0.14090 -0.07641 0.01332 -0.05568 179 2S -0.07955 0.35714 -0.19713 -0.08518 0.07212 180 19 H 1S 0.02432 -0.14075 -0.07569 0.01257 0.05449 181 2S 0.07953 -0.35720 -0.19567 -0.08572 -0.07407 182 20 H 1S 0.14283 -0.13525 0.05766 -0.09188 0.02489 183 2S -0.00271 0.13431 0.31147 -0.05792 -0.02035 184 21 H 1S -0.15096 -0.17458 -0.03543 -0.04067 -0.03635 185 2S -0.04264 0.24960 -0.17616 0.10160 0.11758 186 22 H 1S -0.02151 0.19705 0.07271 -0.18951 0.00142 187 2S -0.05739 0.36681 -0.28905 0.09197 -0.09327 188 23 H 1S 0.02141 -0.19727 0.07231 -0.18897 -0.00312 189 2S 0.05668 -0.36625 -0.28872 0.09077 0.08979 86 87 88 89 90 V V V V V Eigenvalues -- 0.75191 0.77536 0.79576 0.79877 0.81068 1 1 C 1S 0.00560 -0.01485 0.00130 -0.00878 -0.00522 2 2S -0.00392 0.01748 0.27284 0.08698 0.14377 3 2PX -0.28269 0.13365 -0.14412 0.02084 -0.03722 4 2PY -0.06024 -0.10197 -0.08192 -0.32639 0.01287 5 2PZ -0.11458 0.16758 0.20702 0.31018 0.05131 6 3S -0.22534 0.44892 -0.10492 -0.86619 -0.18044 7 3PX 0.33699 -0.20205 0.32158 0.36926 0.11922 8 3PY 0.06371 0.50934 0.26055 1.44668 -0.02953 9 3PZ -0.01013 -0.29288 -0.37431 -0.98168 -0.01491 10 4XX 0.00334 -0.00235 -0.01616 0.01494 0.01455 11 4YY 0.00741 0.02476 0.04167 -0.05783 0.01668 12 4ZZ -0.02558 -0.03929 -0.00122 0.00845 -0.02625 13 4XY 0.01254 -0.03743 -0.04755 0.00368 -0.00156 14 4XZ 0.03420 0.04471 -0.02654 -0.01029 -0.01019 15 4YZ 0.04434 0.01539 0.05753 -0.00347 0.01670 16 2 C 1S 0.00558 -0.01480 0.00115 0.00869 -0.00522 17 2S -0.00927 0.01770 0.27543 -0.08191 0.14351 18 2PX -0.27913 0.13298 -0.14434 -0.02190 -0.03754 19 2PY 0.05384 0.10343 0.08911 -0.32466 -0.01262 20 2PZ -0.11595 0.16926 0.21435 -0.30476 0.05052 21 3S -0.19514 0.44137 -0.12768 0.86602 -0.17978 22 3PX 0.32343 -0.19636 0.33189 -0.36417 0.11930 23 3PY -0.04327 -0.51697 -0.29305 1.43964 0.02938 24 3PZ 0.00299 -0.30094 -0.39920 0.97465 -0.01201 25 4XX 0.00305 -0.00249 -0.01588 -0.01545 0.01449 26 4YY 0.00860 0.02444 0.04051 0.05853 0.01669 27 4ZZ -0.02614 -0.03917 -0.00113 -0.00826 -0.02620 28 4XY -0.01236 0.03734 0.04752 0.00466 0.00162 29 4XZ 0.03424 0.04490 -0.02660 0.00981 -0.01021 30 4YZ -0.04433 -0.01520 -0.05733 -0.00441 -0.01655 31 3 C 1S 0.01848 0.04863 -0.04328 -0.00041 -0.00670 32 2S 0.14062 0.18588 0.30346 0.00325 0.07931 33 2PX 0.00293 -0.23790 -0.30581 -0.00392 0.52089 34 2PY 0.00003 0.00032 0.00038 -0.03514 -0.00053 35 2PZ -0.03255 -0.29835 -0.13080 -0.00206 0.54490 36 3S -0.28993 -0.54477 -0.33280 -0.00409 -0.07983 37 3PX 0.17792 1.11613 0.89996 0.01108 -0.98045 38 3PY 0.00077 -0.00065 -0.00051 0.07327 0.00129 39 3PZ -0.18596 0.59072 0.07389 0.00294 -1.15885 40 4XX -0.00498 0.09614 -0.12710 -0.00130 0.12272 41 4YY 0.04202 0.04469 0.11340 0.00110 0.02774 42 4ZZ 0.01957 -0.04299 0.01539 0.00022 -0.14228 43 4XY -0.00018 0.00002 -0.00002 -0.00190 -0.00001 44 4XZ 0.01848 0.03502 0.02833 0.00029 0.01315 45 4YZ 0.00008 0.00010 0.00010 -0.00206 0.00021 46 4 O 1S -0.00233 0.00479 0.01089 0.00269 0.00366 47 2S 0.03286 0.20389 -0.12865 0.00734 -0.03416 48 2PX -0.11674 -0.16428 0.11404 0.09543 -0.05606 49 2PY -0.05461 -0.07761 -0.16263 -0.01728 -0.03905 50 2PZ 0.04594 0.10394 -0.06086 0.13433 -0.09391 51 3S 0.09208 -0.47980 0.21187 0.13222 0.07250 52 3PX 0.14248 -0.04490 -0.13133 -0.04766 0.14500 53 3PY 0.00947 0.00253 0.15005 -0.08469 0.04939 54 3PZ -0.08680 -0.10569 0.00633 -0.07976 0.17226 55 4XX 0.02028 0.04566 0.02142 0.00067 -0.03055 56 4YY -0.00062 0.05642 -0.09140 0.03210 -0.02223 57 4ZZ 0.01102 0.08590 -0.03357 -0.01185 0.03290 58 4XY 0.01704 0.00923 0.03680 -0.02994 -0.03037 59 4XZ -0.02309 -0.01173 -0.05235 -0.01387 -0.01923 60 4YZ 0.00389 -0.03781 -0.00793 0.00408 -0.03301 61 5 H 1S -0.17292 -0.27573 -0.17702 0.00922 -0.05847 62 2S 0.20133 -0.17382 -0.05751 -0.86479 0.13275 63 6 H 1S -0.17364 -0.27526 -0.17662 -0.01276 -0.05797 64 2S 0.21014 -0.17939 -0.07819 0.86256 0.13334 65 7 H 1S 0.17110 0.08915 -0.07397 -0.00048 -0.57007 66 2S 0.10710 -0.21361 -0.17862 -0.00348 1.38388 67 8 O 1S -0.00224 0.00474 0.01092 -0.00246 0.00367 68 2S 0.03377 0.20348 -0.12891 -0.00933 -0.03459 69 2PX -0.11573 -0.16480 0.11546 -0.09338 -0.05648 70 2PY 0.05515 0.07728 0.16298 -0.01433 0.03943 71 2PZ 0.04641 0.10392 -0.05801 -0.13564 -0.09438 72 3S 0.08256 -0.47602 0.21735 -0.12907 0.07253 73 3PX 0.13905 -0.04329 -0.13136 0.04480 0.14481 74 3PY -0.01172 -0.00123 -0.14785 -0.08747 -0.04997 75 3PZ -0.08561 -0.10599 0.00464 0.07987 0.17266 76 4XX 0.02045 0.04565 0.02133 0.00007 -0.03071 77 4YY -0.00074 0.05626 -0.09083 -0.03376 -0.02242 78 4ZZ 0.01150 0.08578 -0.03391 0.01130 0.03287 79 4XY -0.01746 -0.00906 -0.03597 -0.03071 0.03034 80 4XZ -0.02273 -0.01182 -0.05279 0.01278 -0.01906 81 4YZ -0.00338 0.03765 0.00760 0.00415 0.03288 82 9 H 1S 0.10145 0.57508 -0.60208 -0.00608 0.47744 83 2S 0.15633 0.46882 1.17280 0.01363 -1.23684 84 10 C 1S 0.02601 -0.00431 0.01009 0.00290 0.00892 85 2S -0.18217 0.00495 0.02000 0.10297 -0.01134 86 2PX 0.00121 -0.01288 -0.15207 -0.01078 -0.07045 87 2PY 0.17882 -0.09374 0.06994 0.41364 0.05537 88 2PZ -0.20762 0.05859 -0.01422 -0.05146 0.00647 89 3S 0.62702 -0.79443 0.01029 -1.19814 0.04414 90 3PX -0.02285 0.23261 0.19673 0.74168 0.09289 91 3PY -0.45268 0.33685 -0.07867 -0.93593 -0.05646 92 3PZ 0.28264 -0.28193 -0.05771 -0.46378 -0.08892 93 4XX 0.01617 -0.00722 0.01205 0.02301 -0.00280 94 4YY 0.00594 -0.01573 0.00027 -0.05600 -0.00178 95 4ZZ -0.01684 0.00738 -0.00291 0.02458 0.01075 96 4XY -0.00137 -0.03612 -0.02548 0.00639 -0.01298 97 4XZ -0.03191 0.01430 -0.02362 -0.01585 -0.01707 98 4YZ -0.01577 0.05234 0.02067 -0.01715 0.01235 99 11 C 1S -0.00370 -0.00521 -0.00427 -0.01251 -0.00368 100 2S -0.17685 -0.08615 0.11540 0.14922 -0.00325 101 2PX 0.41493 -0.21894 -0.10775 0.33311 -0.05408 102 2PY -0.22921 -0.15282 0.07299 -0.01419 0.06693 103 2PZ -0.27925 0.08663 -0.02583 0.12281 -0.06020 104 3S 0.19978 0.49454 -0.00239 0.06598 0.16064 105 3PX -0.68782 0.69032 0.20387 -0.06474 0.08278 106 3PY 0.47459 0.59509 0.02043 0.41708 -0.08742 107 3PZ 0.77628 -0.48881 0.11204 -0.62571 0.13367 108 4XX -0.02376 -0.01253 -0.01300 0.01373 0.00267 109 4YY -0.00039 0.00937 0.02427 0.03483 0.00564 110 4ZZ -0.00110 0.00545 0.00021 -0.03131 -0.01212 111 4XY -0.03339 0.02527 0.01076 -0.02754 -0.00241 112 4XZ 0.03604 0.00907 -0.00042 -0.01371 -0.00642 113 4YZ 0.01607 -0.00936 -0.00108 0.00126 -0.00256 114 12 C 1S -0.01427 0.00142 0.01015 0.00349 0.00156 115 2S -0.07872 0.05380 0.08859 -0.05312 0.13025 116 2PX -0.00025 0.01242 0.00028 0.02209 -0.23486 117 2PY -0.08117 0.14017 0.02993 0.15131 -0.02941 118 2PZ -0.19736 0.00092 0.01112 0.04129 -0.00194 119 3S -0.21735 0.31056 -0.24717 -0.06683 -0.33366 120 3PX -0.06942 -0.22187 -0.12221 -0.27162 0.25461 121 3PY 0.02944 -0.42613 0.08791 -0.90700 0.14428 122 3PZ 0.70940 -0.01538 -0.13271 -0.16509 -0.05035 123 4XX -0.00974 -0.01232 0.01515 -0.03236 -0.00064 124 4YY -0.00108 0.03909 -0.00625 -0.01828 0.00522 125 4ZZ -0.02410 -0.00863 0.01085 0.04485 0.01804 126 4XY -0.00158 -0.01425 -0.05777 -0.01163 -0.06484 127 4XZ 0.01112 -0.03288 0.02101 0.05829 0.03926 128 4YZ -0.06531 -0.02028 -0.01702 -0.00422 -0.01556 129 13 C 1S -0.01434 0.00147 0.01027 -0.00325 0.00158 130 2S -0.07851 0.05360 0.08751 0.05612 0.13053 131 2PX -0.00278 0.01209 0.00144 -0.02123 -0.23610 132 2PY 0.08203 -0.14065 -0.03286 0.15102 0.02846 133 2PZ -0.19769 0.00075 0.01176 -0.03998 -0.00110 134 3S -0.21404 0.31013 -0.25077 0.05743 -0.33453 135 3PX -0.06085 -0.22093 -0.13046 0.26752 0.25962 136 3PY -0.03546 0.42893 -0.06911 -0.91115 -0.14060 137 3PZ 0.71059 -0.01418 -0.13337 0.15874 -0.05323 138 4XX -0.00970 -0.01240 0.01451 0.03279 -0.00051 139 4YY -0.00116 0.03899 -0.00662 0.01816 0.00517 140 4ZZ -0.02403 -0.00842 0.01173 -0.04467 0.01801 141 4XY 0.00157 0.01430 0.05798 -0.01047 0.06478 142 4XZ 0.01064 -0.03280 0.02235 -0.05807 0.03917 143 4YZ 0.06524 0.02031 0.01706 -0.00407 0.01547 144 14 C 1S -0.00360 -0.00522 -0.00456 0.01237 -0.00368 145 2S -0.17549 -0.08596 0.11805 -0.14622 -0.00292 146 2PX 0.41773 -0.21942 -0.10162 -0.33747 -0.05410 147 2PY 0.22993 0.15293 -0.07201 -0.01730 -0.06668 148 2PZ -0.27787 0.08789 -0.02347 -0.12397 -0.05915 149 3S 0.19437 0.49514 0.00366 -0.06405 0.15895 150 3PX -0.69671 0.69171 0.20491 0.07106 0.08191 151 3PY -0.47262 -0.59556 -0.03294 0.41772 0.08669 152 3PZ 0.77473 -0.49282 0.10049 0.63093 0.12940 153 4XX -0.02398 -0.01233 -0.01268 -0.01379 0.00264 154 4YY -0.00052 0.00933 0.02495 -0.03455 0.00559 155 4ZZ -0.00067 0.00540 -0.00043 0.03138 -0.01203 156 4XY 0.03291 -0.02534 -0.01026 -0.02794 0.00222 157 4XZ 0.03617 0.00896 -0.00083 0.01363 -0.00639 158 4YZ -0.01605 0.00942 0.00115 0.00118 0.00269 159 15 C 1S 0.02629 -0.00438 0.01009 -0.00275 0.00896 160 2S -0.18434 0.00566 0.02270 -0.10098 -0.01174 161 2PX -0.00206 -0.01341 -0.15232 0.00670 -0.07128 162 2PY -0.17608 0.09371 -0.07856 0.41231 -0.05397 163 2PZ -0.21046 0.05865 -0.01491 0.05241 0.00612 164 3S 0.63830 -0.79728 -0.01860 1.19602 0.04529 165 3PX -0.01755 0.23479 0.21310 -0.73676 0.09548 166 3PY 0.44876 -0.33662 0.09893 -0.93634 0.05337 167 3PZ 0.29179 -0.28253 -0.06996 0.45951 -0.08734 168 4XX 0.01609 -0.00737 0.01248 -0.02292 -0.00292 169 4YY 0.00624 -0.01553 -0.00081 0.05617 -0.00154 170 4ZZ -0.01703 0.00731 -0.00250 -0.02448 0.01061 171 4XY 0.00133 0.03615 0.02543 0.00676 0.01305 172 4XZ -0.03213 0.01449 -0.02375 0.01540 -0.01698 173 4YZ 0.01577 -0.05238 -0.02035 -0.01736 -0.01246 174 16 H 1S 0.18785 0.11677 0.15195 -0.07232 0.09808 175 2S -0.12521 -0.15345 -0.24083 -0.50207 -0.18148 176 17 H 1S -0.07028 0.02068 0.08857 -0.06178 0.03363 177 2S 0.19804 0.21997 -0.04061 0.12959 -0.09560 178 18 H 1S -0.13401 0.00790 -0.02711 -0.24499 -0.17476 179 2S -0.20020 -0.24886 0.11974 -0.14520 0.40795 180 19 H 1S -0.13391 0.00775 -0.03191 0.24547 -0.17416 181 2S -0.19695 -0.24873 0.11532 0.14716 0.40983 182 20 H 1S -0.07094 0.02070 0.08738 0.06347 0.03383 183 2S 0.19705 0.22078 -0.03630 -0.13124 -0.09517 184 21 H 1S 0.18859 0.11649 0.15027 0.07496 0.09824 185 2S -0.12472 -0.15323 -0.25180 0.49733 -0.18099 186 22 H 1S -0.04937 -0.00831 0.28048 0.21827 0.26177 187 2S -0.31893 0.06066 -0.05506 -0.23013 -0.26196 188 23 H 1S -0.05010 -0.00813 0.28483 -0.21273 0.26144 189 2S -0.31932 0.05944 -0.05977 0.23210 -0.26269 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84204 0.85443 0.86451 0.88061 1 1 C 1S -0.00557 0.01310 0.00604 -0.01812 -0.01112 2 2S 0.01097 -0.09022 -0.07051 0.16370 0.50773 3 2PX -0.16049 -0.04936 -0.02474 0.00009 0.05680 4 2PY -0.21276 -0.00356 -0.25687 0.16946 0.25800 5 2PZ -0.22418 0.06675 0.29161 -0.28219 -0.26234 6 3S -0.49637 0.22566 -0.51268 0.15159 -1.11203 7 3PX 0.46988 0.01268 0.26910 -0.03881 -0.20735 8 3PY 0.67126 0.04109 1.14592 -0.74993 -0.64034 9 3PZ 0.70404 -0.11318 -1.05111 0.96358 0.66143 10 4XX -0.00817 0.04406 -0.01366 0.03300 0.03617 11 4YY -0.03554 -0.02130 -0.04280 0.02812 0.02230 12 4ZZ 0.02521 0.01327 0.01389 -0.03291 0.01208 13 4XY -0.00269 -0.00429 0.00550 -0.00743 -0.06106 14 4XZ -0.00351 -0.06523 -0.00785 0.00098 0.00473 15 4YZ -0.01171 -0.03954 -0.01753 0.02239 0.06392 16 2 C 1S 0.00553 0.01306 -0.00613 0.01819 -0.01106 17 2S -0.01032 -0.08887 0.07031 -0.16398 0.50893 18 2PX 0.15977 -0.04949 0.02564 -0.00077 0.05762 19 2PY -0.21303 0.00232 -0.25633 0.16908 -0.25836 20 2PZ 0.22294 0.06457 -0.29134 0.28244 -0.26126 21 3S 0.49650 0.22627 0.51368 -0.15058 -1.11588 22 3PX -0.46844 0.01191 -0.27038 0.03991 -0.20967 23 3PY 0.67180 -0.03516 1.14352 -0.74837 0.63745 24 3PZ -0.70068 -0.10577 1.05240 -0.96481 0.65794 25 4XX 0.00822 0.04433 0.01352 -0.03281 0.03612 26 4YY 0.03568 -0.02121 0.04283 -0.02822 0.02250 27 4ZZ -0.02538 0.01333 -0.01397 0.03300 0.01197 28 4XY -0.00234 0.00445 0.00567 -0.00756 0.06119 29 4XZ 0.00372 -0.06528 0.00806 -0.00147 0.00488 30 4YZ -0.01163 0.03932 -0.01745 0.02249 -0.06378 31 3 C 1S 0.00008 -0.03051 0.00004 -0.00005 0.01445 32 2S 0.00017 -0.59681 0.00092 -0.00199 -0.09390 33 2PX 0.00124 -0.17577 -0.00015 -0.00034 0.01048 34 2PY -0.01729 0.00000 0.01736 0.05018 -0.00010 35 2PZ 0.00080 -0.18824 0.00009 -0.00076 -0.07998 36 3S -0.00010 1.37901 -0.00212 0.00471 0.35957 37 3PX -0.00200 0.66886 0.00045 0.00164 0.14500 38 3PY 0.02806 -0.00008 -0.07677 -0.08527 0.00089 39 3PZ -0.00248 0.38175 0.00025 0.00113 -0.06891 40 4XX 0.00027 0.03383 0.00001 0.00006 0.00603 41 4YY 0.00015 -0.03078 0.00008 -0.00010 0.02718 42 4ZZ -0.00024 -0.08749 0.00004 -0.00017 -0.00005 43 4XY -0.00196 -0.00002 0.00514 0.02283 -0.00014 44 4XZ 0.00010 -0.00031 0.00000 0.00003 0.04130 45 4YZ -0.01320 0.00011 0.00650 -0.01568 -0.00014 46 4 O 1S 0.00238 0.00787 -0.00257 0.00555 0.01244 47 2S -0.06255 -0.25696 -0.07287 0.04045 0.02664 48 2PX -0.06087 0.11463 -0.02370 0.03479 0.04278 49 2PY -0.04046 -0.16445 -0.01459 -0.06106 -0.12147 50 2PZ -0.06613 -0.17215 -0.01494 0.05657 0.02594 51 3S 0.00250 0.07329 0.34640 -0.21109 -0.26353 52 3PX -0.04174 -0.21768 0.09162 -0.12951 -0.10970 53 3PY 0.00273 0.33310 -0.07991 0.14872 0.35097 54 3PZ -0.01078 0.08180 0.06603 -0.10965 -0.06815 55 4XX -0.02113 -0.09695 -0.02543 -0.00581 0.02674 56 4YY -0.00191 -0.08528 -0.00183 0.01495 -0.03009 57 4ZZ -0.02899 -0.06055 -0.03101 0.02647 0.02899 58 4XY -0.00185 -0.04635 -0.02079 0.02504 0.00431 59 4XZ 0.01728 0.02517 0.00437 -0.02144 -0.01464 60 4YZ 0.00587 0.01655 0.00428 0.00007 -0.01256 61 5 H 1S 0.08058 0.10675 0.17382 -0.29603 -0.25868 62 2S 0.10235 -0.30037 -1.03391 1.00951 1.13609 63 6 H 1S -0.08124 0.10550 -0.17436 0.29693 -0.25811 64 2S -0.10024 -0.29355 1.03408 -1.01092 1.13420 65 7 H 1S -0.00036 -0.26636 -0.00004 -0.00002 0.15197 66 2S 0.00256 -0.39482 0.00025 -0.00197 -0.15719 67 8 O 1S -0.00234 0.00791 0.00258 -0.00553 0.01244 68 2S 0.06299 -0.25657 0.07362 -0.04200 0.02716 69 2PX 0.06055 0.11500 0.02342 -0.03429 0.04194 70 2PY -0.03986 0.16513 -0.01488 -0.05983 0.12096 71 2PZ 0.06631 -0.17169 0.01531 -0.05757 0.02522 72 3S -0.00368 0.07150 -0.34765 0.21209 -0.26310 73 3PX 0.04215 -0.21867 -0.09148 0.12849 -0.10861 74 3PY 0.00191 -0.33441 -0.07939 0.14656 -0.35008 75 3PZ 0.01079 0.08069 -0.06621 0.11013 -0.06722 76 4XX 0.02113 -0.09697 0.02569 0.00524 0.02675 77 4YY 0.00189 -0.08507 0.00201 -0.01539 -0.02996 78 4ZZ 0.02939 -0.06045 0.03131 -0.02698 0.02939 79 4XY -0.00176 0.04613 -0.02091 0.02530 -0.00418 80 4XZ -0.01740 0.02518 -0.00446 0.02164 -0.01481 81 4YZ 0.00603 -0.01662 0.00432 -0.00006 0.01249 82 9 H 1S 0.00142 0.03506 0.00014 0.00025 0.07698 83 2S -0.00279 -0.04145 0.00083 -0.00043 -0.07058 84 10 C 1S 0.01252 0.00742 -0.02294 -0.00881 -0.01518 85 2S -0.13019 -0.05252 0.05672 0.18437 0.32646 86 2PX -0.04691 0.08960 0.20718 0.12133 0.21624 87 2PY -0.15732 -0.05228 -0.41024 0.00747 -0.21220 88 2PZ -0.15118 -0.08481 -0.50886 -0.14789 -0.31998 89 3S 0.51826 -0.44960 1.39821 -0.44447 -0.69535 90 3PX 0.14626 -0.06212 -1.00493 -0.16364 -0.50031 91 3PY 0.33053 0.38303 1.90883 0.43938 0.43491 92 3PZ 0.87637 0.24679 1.78229 0.55393 0.65763 93 4XX -0.01220 0.01694 -0.00081 0.01960 0.00460 94 4YY 0.01564 -0.02275 0.07399 0.00886 0.02110 95 4ZZ 0.00367 -0.00325 -0.02509 0.00459 0.02003 96 4XY -0.00734 0.01088 0.02278 0.00074 0.06055 97 4XZ -0.01638 -0.01266 0.02858 -0.00397 0.02752 98 4YZ 0.01604 0.04140 -0.02372 -0.00136 -0.04468 99 11 C 1S -0.00197 0.00718 -0.00751 -0.00076 0.00265 100 2S 0.10227 0.10689 0.08898 0.16366 0.10736 101 2PX 0.12933 0.06548 0.00946 0.08930 -0.07404 102 2PY 0.17431 -0.05065 -0.00827 0.09154 0.05263 103 2PZ 0.30228 0.03872 0.01399 0.21717 -0.02485 104 3S -1.32044 -0.35573 -0.73659 -0.80478 -0.42553 105 3PX -0.66960 0.13226 -0.15217 0.31728 -0.01722 106 3PY -0.64659 0.02449 -0.58127 -0.31304 -0.31713 107 3PZ -1.45857 -0.65384 -0.10345 -0.98856 -0.13637 108 4XX -0.02336 -0.03776 0.02424 -0.01873 -0.00818 109 4YY 0.02323 0.00511 -0.06667 0.02652 0.01587 110 4ZZ -0.02710 0.05426 0.03689 0.00016 -0.00729 111 4XY 0.02859 0.01243 -0.03624 0.01198 -0.01115 112 4XZ 0.02591 0.01193 0.00296 0.00974 -0.01907 113 4YZ -0.00485 -0.00138 0.02479 0.01357 0.01322 114 12 C 1S 0.00425 -0.02738 0.01108 -0.00285 0.00147 115 2S -0.03675 0.15814 -0.09044 0.01908 -0.21303 116 2PX -0.44495 -0.14964 0.10382 0.52705 -0.14722 117 2PY 0.27012 -0.00870 -0.08185 0.16906 0.08242 118 2PZ 0.19336 -0.03925 -0.05177 0.28763 -0.07611 119 3S 0.28346 0.53380 0.55326 0.24016 0.68276 120 3PX 1.76296 0.17329 -0.19882 -1.45891 0.23497 121 3PY -1.12481 -0.41150 0.23559 -0.90758 -0.27284 122 3PZ -1.14769 0.00548 0.22278 -1.26095 0.15215 123 4XX 0.01211 -0.05659 0.00749 0.00049 -0.03146 124 4YY -0.02302 0.07260 0.00052 -0.01246 -0.01310 125 4ZZ 0.01971 0.00383 0.00265 0.01621 0.02252 126 4XY -0.00126 -0.00792 0.00340 0.01742 -0.00939 127 4XZ -0.03402 -0.05668 -0.02078 -0.05674 -0.00015 128 4YZ 0.00499 0.03144 0.00383 0.00876 -0.02740 129 13 C 1S -0.00420 -0.02744 -0.01104 0.00271 0.00153 130 2S 0.03650 0.15814 0.09070 -0.01937 -0.21497 131 2PX 0.44348 -0.14634 -0.10358 -0.52904 -0.14354 132 2PY 0.27051 0.00820 -0.08185 0.16920 -0.08339 133 2PZ -0.19334 -0.03764 0.05209 -0.28762 -0.07840 134 3S -0.28442 0.53507 -0.55586 -0.23387 0.69231 135 3PX -1.75990 0.16307 0.19828 1.46291 0.22708 136 3PY -1.12696 0.41282 0.23455 -0.90677 0.27290 137 3PZ 1.14828 0.00049 -0.22328 1.25852 0.15847 138 4XX -0.01208 -0.05675 -0.00729 -0.00088 -0.03150 139 4YY 0.02298 0.07268 -0.00061 0.01259 -0.01341 140 4ZZ -0.01968 0.00387 -0.00277 -0.01600 0.02284 141 4XY -0.00131 0.00786 0.00341 0.01745 0.00906 142 4XZ 0.03427 -0.05683 0.02084 0.05657 -0.00066 143 4YZ 0.00532 -0.03143 0.00386 0.00886 0.02800 144 14 C 1S 0.00194 0.00723 0.00748 0.00090 0.00314 145 2S -0.10196 0.10686 -0.08940 -0.16318 0.10047 146 2PX -0.12940 0.06483 -0.01018 -0.08876 -0.07280 147 2PY 0.17682 0.05013 -0.00862 0.09050 -0.06261 148 2PZ -0.30191 0.03968 -0.01426 -0.21683 -0.02446 149 3S 1.31923 -0.35543 0.73904 0.79973 -0.41827 150 3PX 0.67279 0.13514 0.15343 -0.31701 -0.02321 151 3PY -0.65432 -0.02224 -0.58085 -0.30860 0.34525 152 3PZ 1.45850 -0.65613 0.10435 0.98507 -0.13342 153 4XX 0.02350 -0.03794 -0.02417 0.01851 -0.00926 154 4YY -0.02313 0.00526 0.06648 -0.02632 0.01741 155 4ZZ 0.02700 0.05429 -0.03687 -0.00006 -0.00836 156 4XY 0.02872 -0.01267 -0.03644 0.01211 0.01131 157 4XZ -0.02592 0.01192 -0.00304 -0.00969 -0.01865 158 4YZ -0.00494 0.00141 0.02499 0.01329 -0.01377 159 15 C 1S -0.01250 0.00740 0.02295 0.00874 -0.01513 160 2S 0.12939 -0.05201 -0.05655 -0.18453 0.32477 161 2PX 0.04657 0.08932 -0.20733 -0.11964 0.21658 162 2PY -0.15799 0.05247 -0.41139 0.00833 0.21240 163 2PZ 0.15138 -0.08374 0.50879 0.14563 -0.32059 164 3S -0.51800 -0.45188 -1.39752 0.44273 -0.68222 165 3PX -0.14422 -0.06052 1.00409 0.15887 -0.50904 166 3PY 0.33366 -0.38346 1.91317 0.43643 -0.43534 167 3PZ -0.87847 0.24398 -1.78071 -0.54768 0.66736 168 4XX 0.01212 0.01702 0.00075 -0.01957 0.00489 169 4YY -0.01565 -0.02268 -0.07386 -0.00904 0.02067 170 4ZZ -0.00374 -0.00338 0.02505 -0.00442 0.02032 171 4XY -0.00713 -0.01073 0.02300 0.00042 -0.06025 172 4XZ 0.01644 -0.01261 -0.02856 0.00407 0.02685 173 4YZ 0.01604 -0.04152 -0.02399 -0.00113 0.04443 174 16 H 1S 0.02195 0.18709 -0.33062 -0.12695 -0.31040 175 2S 0.20849 0.14527 1.68671 0.55282 1.02840 176 17 H 1S 0.12828 -0.00676 -0.09351 0.03856 0.08717 177 2S -0.40990 0.07275 0.03977 -0.16343 -0.20635 178 18 H 1S 0.04814 -0.26725 0.07609 0.13637 -0.10435 179 2S 0.75611 -0.00592 -0.29968 -0.95956 0.01796 180 19 H 1S -0.04820 -0.26681 -0.07552 -0.13847 -0.10269 181 2S -0.75484 -0.01083 0.30018 0.96050 0.00783 182 20 H 1S -0.12886 -0.00641 0.09362 -0.03742 0.09441 183 2S 0.41351 0.07164 -0.04067 0.15931 -0.23302 184 21 H 1S -0.02203 0.18713 0.33076 0.12597 -0.30965 185 2S -0.21118 0.14426 -1.68814 -0.54658 1.03087 186 22 H 1S 0.04225 -0.34959 -0.07743 -0.18945 0.05249 187 2S -0.37944 0.11989 0.04928 1.11047 -0.41085 188 23 H 1S -0.04138 -0.35066 0.07816 0.18866 0.05105 189 2S 0.37742 0.12647 -0.04880 -1.11247 -0.41084 96 97 98 99 100 V V V V V Eigenvalues -- 0.88446 0.88520 0.88709 0.89806 0.91382 1 1 C 1S 0.00247 -0.00481 -0.00748 0.00497 0.00013 2 2S -0.37891 -0.10987 0.25157 -0.04382 -0.02192 3 2PX 0.08123 -0.02703 -0.00908 -0.06994 -0.09924 4 2PY -0.17196 -0.07899 0.09190 -0.09739 -0.06915 5 2PZ 0.28182 -0.00332 -0.37714 -0.00090 0.07429 6 3S 0.91957 0.47086 -0.66585 0.07993 0.08796 7 3PX -0.03455 0.06294 0.00178 0.17652 0.23656 8 3PY 0.46475 -0.14891 -0.25670 0.22573 0.08127 9 3PZ -0.50466 0.08690 1.05009 -0.11535 -0.15290 10 4XX -0.02927 -0.00674 0.03144 -0.00719 -0.01459 11 4YY -0.01539 -0.00321 0.01793 0.01732 0.00752 12 4ZZ -0.01401 0.00007 -0.01029 -0.02236 0.00085 13 4XY 0.04635 0.00935 -0.00216 0.00812 0.01547 14 4XZ -0.01996 -0.00638 0.01037 0.02413 -0.03464 15 4YZ -0.06440 0.00040 0.02145 0.02712 0.00876 16 2 C 1S 0.00192 0.00522 0.00756 0.00500 0.00010 17 2S -0.39327 0.05504 -0.24866 -0.04338 -0.02121 18 2PX 0.07728 0.03634 0.00661 -0.06968 -0.09955 19 2PY 0.18068 -0.05342 0.09027 0.09610 0.06942 20 2PZ 0.28537 0.04256 0.37336 -0.00143 0.07427 21 3S 0.98206 -0.33669 0.65731 0.07799 0.08762 22 3PX -0.02596 -0.06418 0.00185 0.17621 0.23631 23 3PY -0.44418 -0.21402 -0.25224 -0.22400 -0.08153 24 3PZ -0.50639 -0.15981 -1.04537 -0.11518 -0.15017 25 4XX -0.03022 0.00238 -0.03117 -0.00706 -0.01450 26 4YY -0.01610 0.00096 -0.01778 0.01756 0.00754 27 4ZZ -0.01371 -0.00186 0.01031 -0.02264 0.00087 28 4XY -0.04713 0.00281 -0.00200 -0.00814 -0.01541 29 4XZ -0.02090 0.00363 -0.01005 0.02432 -0.03485 30 4YZ 0.06411 0.00940 0.02066 -0.02716 -0.00864 31 3 C 1S -0.00137 -0.00014 -0.00009 -0.01681 0.00575 32 2S 0.11448 0.00708 0.00010 0.34524 -0.95906 33 2PX -0.15807 -0.00974 0.00138 0.02447 0.45049 34 2PY -0.00143 0.01359 -0.05815 -0.00007 0.00006 35 2PZ -0.09568 -0.00591 0.00182 0.31339 -0.24970 36 3S -0.37724 -0.02393 -0.00031 -0.90391 2.60481 37 3PX 0.29721 0.01795 -0.00431 -0.21048 -0.67184 38 3PY 0.00127 0.00333 0.18110 -0.00011 0.00053 39 3PZ 0.50196 0.03227 -0.00519 -0.63959 0.15457 40 4XX 0.00018 0.00001 -0.00005 0.01001 -0.01696 41 4YY -0.02867 -0.00197 0.00019 0.05326 -0.06138 42 4ZZ 0.02656 0.00166 -0.00031 -0.06107 0.01445 43 4XY 0.00001 -0.00195 -0.01272 0.00004 -0.00004 44 4XZ -0.04068 -0.00279 0.00017 -0.00317 0.00556 45 4YZ 0.00097 -0.01884 -0.01640 0.00011 -0.00009 46 4 O 1S -0.00689 0.00044 0.00074 -0.00208 -0.00074 47 2S 0.00514 -0.05302 0.03028 0.01531 -0.14971 48 2PX -0.03461 0.00774 0.04339 -0.03458 -0.00856 49 2PY 0.08901 -0.04480 -0.00087 0.07873 -0.21763 50 2PZ -0.00098 0.01188 0.08003 0.00839 0.02323 51 3S 0.08692 0.04603 -0.20254 0.10059 0.12763 52 3PX -0.00400 -0.02881 -0.07763 0.10959 0.15145 53 3PY -0.23691 0.07323 0.01137 -0.19039 0.31790 54 3PZ 0.02317 -0.02191 -0.18142 0.02441 -0.09447 55 4XX -0.01565 -0.01098 0.01016 0.01973 -0.04617 56 4YY 0.04447 -0.00727 -0.00357 -0.01382 -0.03804 57 4ZZ -0.02156 -0.03102 0.01261 0.02512 -0.07794 58 4XY -0.00060 0.00681 0.01240 0.01131 -0.02721 59 4XZ 0.01867 0.01061 -0.00577 -0.01328 0.01231 60 4YZ 0.01438 0.00610 -0.00072 -0.02862 0.02711 61 5 H 1S 0.24576 0.02618 -0.28004 -0.07474 -0.00298 62 2S -0.91496 -0.02216 0.96360 -0.06978 -0.14614 63 6 H 1S 0.25081 0.00879 0.27719 -0.07606 -0.00245 64 2S -0.92430 -0.10882 -0.95521 -0.06766 -0.14555 65 7 H 1S -0.00464 -0.00077 -0.00116 -0.39986 0.39512 66 2S -0.32189 -0.02031 0.00547 1.09935 -0.93492 67 8 O 1S -0.00677 -0.00144 -0.00074 -0.00210 -0.00070 68 2S -0.00173 0.05254 -0.03019 0.01611 -0.15001 69 2PX -0.03379 -0.01278 -0.04307 -0.03414 -0.00866 70 2PY -0.08271 -0.05618 -0.00122 -0.07924 0.21798 71 2PZ -0.00072 -0.01279 -0.07992 0.00901 0.02325 72 3S 0.09473 -0.03134 0.20353 0.09932 0.12750 73 3PX -0.00690 0.02967 0.07874 0.10961 0.15058 74 3PY 0.22572 0.10540 0.01156 0.19107 -0.31846 75 3PZ 0.02343 0.02612 0.18136 0.02365 -0.09432 76 4XX -0.01704 0.00847 -0.00993 0.01997 -0.04638 77 4YY 0.04340 0.01305 0.00313 -0.01385 -0.03788 78 4ZZ -0.02531 0.02756 -0.01226 0.02556 -0.07811 79 4XY -0.00013 0.00694 0.01239 -0.01132 0.02720 80 4XZ 0.01982 -0.00794 0.00551 -0.01345 0.01235 81 4YZ -0.01486 0.00402 -0.00047 0.02857 -0.02706 82 9 H 1S -0.05142 -0.00312 -0.00048 -0.12138 0.34709 83 2S 0.40952 0.02544 -0.00324 0.03930 -1.26455 84 10 C 1S -0.01239 -0.00181 -0.00688 -0.00837 -0.00500 85 2S -0.10645 0.09280 0.11949 0.22231 -0.10163 86 2PX 0.23405 -0.17372 0.33196 0.08876 -0.06190 87 2PY -0.09804 -0.11377 0.16742 -0.19135 0.06293 88 2PZ -0.27163 0.18897 -0.27568 -0.25419 -0.00523 89 3S 0.17622 -1.04769 -0.04514 -0.90202 0.45953 90 3PX -0.67543 1.26532 -1.37736 -0.30673 -0.05081 91 3PY 0.23220 0.63257 -1.08847 0.73839 -0.14367 92 3PZ 0.72263 -1.19666 1.13042 0.66992 0.09022 93 4XX 0.00064 -0.02093 0.02336 0.04766 0.01919 94 4YY -0.02700 0.01958 -0.00998 -0.00911 -0.01476 95 4ZZ 0.02394 -0.01952 0.01876 -0.00784 -0.02185 96 4XY 0.03437 0.00958 0.02980 0.00221 -0.02176 97 4XZ 0.02543 0.03987 -0.00133 0.00094 -0.00505 98 4YZ -0.03847 -0.00579 -0.02841 0.00364 -0.01493 99 11 C 1S 0.00320 -0.02128 -0.02359 0.01636 0.00618 100 2S -0.19555 0.36187 0.21124 -0.23004 -0.11124 101 2PX 0.06365 -0.12351 0.11782 0.05349 -0.02067 102 2PY 0.24556 -0.60489 -0.14378 0.23469 0.26403 103 2PZ -0.05260 0.11655 -0.21337 0.06480 -0.02640 104 3S -0.07018 0.00768 -1.22349 0.36718 0.31519 105 3PX -0.24114 0.86796 -0.94706 0.23282 -0.03406 106 3PY -0.82616 1.82196 0.14064 -0.78771 -0.44796 107 3PZ 0.12498 -0.92870 1.13515 -0.41703 0.33361 108 4XX -0.02417 0.06321 0.01723 -0.05974 -0.03332 109 4YY 0.01336 -0.07631 -0.04779 0.01918 0.04419 110 4ZZ -0.03264 0.05845 0.02189 0.01083 -0.02954 111 4XY -0.01052 0.03059 -0.04826 0.01345 -0.00589 112 4XZ 0.02466 -0.02640 0.00801 0.03227 0.00721 113 4YZ 0.03635 -0.05228 0.02166 -0.00058 0.01775 114 12 C 1S -0.00446 -0.00128 -0.00611 -0.00792 0.01275 115 2S -0.25926 0.09562 0.07640 0.11588 0.04860 116 2PX -0.16561 -0.02746 -0.30935 0.45790 0.25958 117 2PY 0.05092 0.04468 -0.17780 0.02680 0.05510 118 2PZ -0.22695 0.22713 -0.06445 0.10802 -0.08729 119 3S 0.69024 -0.48608 -0.31200 0.28187 -0.28256 120 3PX 0.12934 0.06316 0.61950 -0.85749 -0.44013 121 3PY -0.04971 -0.61075 0.91303 -0.16489 0.14714 122 3PZ 0.29772 -0.87857 0.51102 -0.35555 0.06845 123 4XX -0.02942 0.01719 -0.02287 0.00441 0.02397 124 4YY -0.04057 0.00419 0.01717 0.03685 -0.02462 125 4ZZ 0.02087 -0.01969 0.00646 -0.01742 0.01596 126 4XY -0.06901 -0.01577 -0.01336 0.01034 0.01552 127 4XZ 0.01343 0.01108 0.03587 -0.07614 -0.01074 128 4YZ -0.06187 0.04518 0.00065 -0.00312 -0.02986 129 13 C 1S -0.00452 0.00077 0.00614 -0.00795 0.01275 130 2S -0.24640 -0.12447 -0.07121 0.11575 0.04820 131 2PX -0.16009 0.00702 0.31506 0.45762 0.26119 132 2PY -0.05883 0.03902 -0.17599 -0.02566 -0.05490 133 2PZ -0.19521 -0.25270 0.06829 0.10609 -0.08715 134 3S 0.62867 0.55782 0.29755 0.28268 -0.28295 135 3PX 0.11786 -0.04762 -0.62680 -0.86008 -0.44312 136 3PY 0.14037 -0.60338 0.90993 0.15777 -0.14875 137 3PZ 0.17853 0.90713 -0.51495 -0.34656 0.06824 138 4XX -0.02668 -0.02033 0.02359 0.00398 0.02421 139 4YY -0.04011 -0.00927 -0.01643 0.03689 -0.02473 140 4ZZ 0.01823 0.02213 -0.00704 -0.01705 0.01572 141 4XY 0.07012 -0.00704 -0.01470 -0.01021 -0.01557 142 4XZ 0.01388 -0.00902 -0.03632 -0.07597 -0.01104 143 4YZ 0.05564 0.05223 -0.00057 0.00341 0.02977 144 14 C 1S 0.00091 0.02138 0.02361 0.01640 0.00615 145 2S -0.15216 -0.38376 -0.20962 -0.23106 -0.11140 146 2PX 0.04631 0.13126 -0.11727 0.05397 -0.01935 147 2PY -0.17097 -0.62799 -0.14044 -0.23705 -0.26355 148 2PZ -0.03432 -0.12299 0.21413 0.06278 -0.02696 149 3S -0.04769 -0.01033 1.22656 0.36514 0.31437 150 3PX -0.11642 -0.89096 0.94992 0.22702 -0.03750 151 3PY 0.59487 1.89658 0.13191 0.79604 0.44616 152 3PZ -0.00777 0.94260 -1.13530 -0.40534 0.33656 153 4XX -0.01662 -0.06547 -0.01668 -0.05987 -0.03342 154 4YY 0.00477 0.07748 0.04724 0.01943 0.04421 155 4ZZ -0.02542 -0.06219 -0.02126 0.01057 -0.02956 156 4XY 0.00571 0.03131 -0.04854 -0.01325 0.00561 157 4XZ 0.02111 0.02947 -0.00826 0.03225 0.00745 158 4YZ -0.02917 -0.05590 0.02246 0.00031 -0.01759 159 15 C 1S -0.01243 0.00050 0.00717 -0.00843 -0.00498 160 2S -0.09506 -0.11190 -0.11871 0.22296 -0.10261 161 2PX 0.20536 0.19761 -0.33685 0.09066 -0.06215 162 2PY 0.11432 -0.10414 0.16425 0.19075 -0.06371 163 2PZ -0.24172 -0.21552 0.28152 -0.25564 -0.00499 164 3S 0.04096 1.07457 0.04553 -0.89953 0.46096 165 3PX -0.49051 -1.32952 1.39029 -0.31718 -0.05044 166 3PY -0.32551 0.60449 -1.07996 -0.73294 0.14802 167 3PZ 0.54969 1.26309 -1.14422 0.67710 0.09001 168 4XX -0.00215 0.02050 -0.02330 0.04785 0.01916 169 4YY -0.02441 -0.02308 0.01049 -0.00922 -0.01489 170 4ZZ 0.02110 0.02201 -0.01938 -0.00768 -0.02186 171 4XY -0.03487 0.00636 0.03067 -0.00221 0.02180 172 4XZ 0.03011 -0.03668 0.00075 0.00084 -0.00508 173 4YZ 0.03841 -0.00181 -0.02920 -0.00356 0.01493 174 16 H 1S -0.17230 0.01243 -0.15548 0.01127 0.02035 175 2S 0.75775 -0.43623 0.72796 0.78725 -0.07236 176 17 H 1S 0.15341 -0.39229 -0.18980 0.22946 0.27839 177 2S -0.67309 1.57070 0.50692 -0.76905 -0.58723 178 18 H 1S -0.22324 0.03290 -0.24038 0.08426 0.20334 179 2S 0.08270 0.21870 0.70744 -0.71822 -0.26749 180 19 H 1S -0.21292 -0.05919 0.24531 0.08243 0.20493 181 2S 0.09185 -0.20597 -0.71176 -0.71796 -0.27077 182 20 H 1S 0.10674 0.40631 0.18671 0.23064 0.27815 183 2S -0.48118 -1.63440 -0.49694 -0.77460 -0.58652 184 21 H 1S -0.16725 -0.02924 0.16030 0.01034 0.02082 185 2S 0.68643 0.50702 -0.74369 0.79232 -0.07484 186 22 H 1S 0.32035 0.00469 0.13083 -0.28685 0.11530 187 2S -0.66227 0.32990 -0.34806 0.78310 0.15215 188 23 H 1S 0.31447 0.03599 -0.13788 -0.28617 0.11444 189 2S -0.60544 -0.40678 0.36401 0.78078 0.15533 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94029 0.95122 1.00794 1.01440 1 1 C 1S 0.00266 -0.01088 0.00759 -0.01584 0.00968 2 2S -0.10635 0.13829 -0.13104 -0.81426 0.22012 3 2PX 0.06185 0.16592 0.02496 -0.07771 0.09824 4 2PY 0.19563 0.15557 0.10351 0.03315 -0.02750 5 2PZ 0.04407 -0.26779 0.05733 0.15591 -0.01293 6 3S 0.20672 -0.52913 0.06110 2.52060 -0.44569 7 3PX 0.08492 -0.23779 0.23071 0.17147 -0.29506 8 3PY -0.48179 -0.37608 -0.16699 -0.52451 -0.13801 9 3PZ -0.86651 0.52415 -0.70166 -0.65717 0.06814 10 4XX 0.00901 0.02847 -0.01585 -0.03447 -0.02803 11 4YY 0.01796 0.00014 0.00433 -0.01007 0.03121 12 4ZZ -0.04435 -0.01200 -0.01946 -0.05318 0.02135 13 4XY -0.00062 0.05105 0.00001 -0.00127 -0.05782 14 4XZ 0.05265 0.01019 0.03508 0.04569 0.03810 15 4YZ 0.02819 0.04377 0.02393 0.00548 -0.03688 16 2 C 1S -0.00273 -0.01079 -0.00756 0.01579 0.00953 17 2S 0.10826 0.13770 0.13159 0.81357 0.22083 18 2PX -0.06016 0.16693 -0.02432 0.07844 0.09971 19 2PY 0.19415 -0.15720 0.10325 0.03350 0.02879 20 2PZ -0.04614 -0.26752 -0.05822 -0.15573 -0.01252 21 3S -0.21360 -0.52731 -0.06446 -2.52053 -0.45397 22 3PX -0.08765 -0.23919 -0.23198 -0.17194 -0.29605 23 3PY -0.47953 0.38083 -0.16707 -0.52562 0.12947 24 3PZ 0.86967 0.51783 0.70215 0.65500 0.06357 25 4XX -0.00874 0.02850 0.01592 0.03434 -0.02806 26 4YY -0.01793 0.00056 -0.00431 0.01010 0.03088 27 4ZZ 0.04421 -0.01241 0.01947 0.05301 0.02120 28 4XY -0.00112 -0.05106 -0.00026 -0.00127 0.05776 29 4XZ -0.05254 0.01049 -0.03488 -0.04566 0.03879 30 4YZ 0.02747 -0.04398 0.02361 0.00568 0.03682 31 3 C 1S 0.00001 0.00221 0.00002 0.00000 0.03072 32 2S 0.00062 -0.06398 0.00173 0.00097 0.54776 33 2PX -0.00094 -0.13781 -0.00079 -0.00070 -0.00706 34 2PY -0.01823 0.00013 -0.11487 -0.01184 0.00092 35 2PZ 0.00027 0.00194 0.00048 0.00047 -0.00335 36 3S -0.00257 -0.06992 -0.00503 -0.00234 -1.11992 37 3PX 0.00029 -0.08446 0.00015 0.00201 -0.03134 38 3PY 0.12172 -0.00126 0.44942 -0.05077 -0.00281 39 3PZ 0.00107 0.31948 -0.00007 -0.00078 -0.07542 40 4XX -0.00004 -0.01126 -0.00002 0.00029 -0.00436 41 4YY -0.00017 -0.05703 0.00006 0.00019 0.05963 42 4ZZ 0.00022 0.04842 0.00010 -0.00025 0.04971 43 4XY 0.04028 -0.00007 -0.04886 0.01244 -0.00004 44 4XZ -0.00010 -0.02226 -0.00013 -0.00029 0.00592 45 4YZ 0.02862 -0.00015 -0.01799 0.01848 -0.00040 46 4 O 1S -0.00956 -0.00328 -0.00864 -0.00802 -0.00261 47 2S -0.01612 0.02228 0.14161 -0.09507 0.01388 48 2PX -0.13694 -0.00506 0.10043 0.01796 -0.06627 49 2PY 0.02001 0.14665 0.11272 0.05879 -0.12956 50 2PZ -0.04467 0.05088 0.21540 0.06438 -0.01951 51 3S 0.33838 -0.02792 -0.04950 0.15697 0.13469 52 3PX 0.38662 -0.03566 0.11530 -0.00496 0.10760 53 3PY -0.05779 -0.16073 -0.18519 -0.08409 0.12468 54 3PZ -0.00708 -0.08058 -0.32897 -0.00548 0.04966 55 4XX -0.01961 0.00591 0.07377 -0.04086 0.00194 56 4YY -0.03562 0.02173 0.00355 -0.06422 -0.00361 57 4ZZ 0.03844 0.00224 0.02753 0.00565 0.00115 58 4XY 0.01745 0.00587 0.00567 0.01211 0.04027 59 4XZ -0.00819 0.02941 -0.01709 0.04142 -0.00369 60 4YZ -0.00038 0.02009 -0.00114 -0.02139 -0.01871 61 5 H 1S -0.27836 -0.18495 -0.14113 -0.02196 0.14102 62 2S -0.00731 0.70125 -0.15804 -0.71387 0.12686 63 6 H 1S 0.27633 -0.18651 0.14056 0.02194 0.13943 64 2S 0.01452 0.70132 0.16055 0.71302 0.12534 65 7 H 1S -0.00012 0.09046 -0.00044 -0.00157 0.13797 66 2S -0.00028 -0.37427 0.00166 0.00328 0.11166 67 8 O 1S 0.00952 -0.00335 0.00859 0.00798 -0.00259 68 2S 0.01626 0.02277 -0.14145 0.09413 0.01706 69 2PX 0.13657 -0.00560 -0.10149 -0.01834 -0.06856 70 2PY 0.01859 -0.14691 0.11210 0.05931 0.12686 71 2PZ 0.04521 0.05068 -0.21547 -0.06296 -0.01960 72 3S -0.33811 -0.02680 0.05061 -0.15537 0.12823 73 3PX -0.38639 -0.03293 -0.11392 0.00579 0.11203 74 3PY -0.05638 0.16111 -0.18402 -0.08502 -0.11987 75 3PZ 0.00627 -0.08098 0.32916 0.00309 0.04943 76 4XX 0.01964 0.00608 -0.07366 0.04029 0.00281 77 4YY 0.03577 0.02165 -0.00342 0.06413 -0.00308 78 4ZZ -0.03842 0.00251 -0.02748 -0.00593 0.00277 79 4XY 0.01729 -0.00609 0.00535 0.01232 -0.04032 80 4XZ 0.00842 0.02930 0.01722 -0.04137 -0.00391 81 4YZ -0.00034 -0.02003 -0.00114 -0.02097 0.01876 82 9 H 1S -0.00084 -0.15614 -0.00083 -0.00004 0.00076 83 2S 0.00162 0.13986 0.00208 0.00136 0.32719 84 10 C 1S -0.00091 0.00628 -0.00336 0.01320 -0.01531 85 2S 0.33558 -0.25670 0.25410 0.46376 -0.49472 86 2PX 0.00560 -0.10577 -0.04285 0.12735 0.10295 87 2PY -0.06917 0.08092 -0.27289 0.27637 0.19496 88 2PZ -0.04126 0.18679 0.06738 -0.14928 0.07539 89 3S -1.22578 0.01432 -0.85598 -1.84230 1.67276 90 3PX 0.12669 0.22982 0.91387 -1.13531 -0.08874 91 3PY 0.47024 0.25937 2.07531 -2.34823 -0.98910 92 3PZ -0.06138 -0.30314 -0.84373 1.23818 -0.24854 93 4XX 0.00615 -0.01929 -0.00077 0.02111 -0.01982 94 4YY 0.01649 -0.04836 0.03732 -0.02647 -0.02325 95 4ZZ 0.02356 0.03345 -0.01372 0.06142 -0.02410 96 4XY -0.01137 -0.02301 -0.01320 -0.00524 -0.00859 97 4XZ 0.00230 -0.03623 0.03184 -0.06782 0.02808 98 4YZ 0.00770 0.08442 0.01261 0.03077 -0.05318 99 11 C 1S 0.00657 -0.00255 0.01119 0.00775 0.00066 100 2S 0.18970 -0.44884 -0.08991 0.43351 -0.03856 101 2PX -0.19711 -0.04117 -0.30457 -0.03998 0.10210 102 2PY -0.04275 0.38580 0.15170 -0.08649 0.05225 103 2PZ 0.10023 0.01491 0.18377 -0.09807 -0.04489 104 3S -0.44517 1.17694 1.33194 -2.12263 -0.29457 105 3PX 0.90293 0.27747 1.62881 -0.83280 -0.60253 106 3PY 0.21315 -0.81336 -0.13274 0.22201 0.44363 107 3PZ -0.83712 -0.54805 -1.55629 0.50363 0.60145 108 4XX 0.03627 -0.04955 -0.00160 -0.04657 -0.04182 109 4YY 0.04189 0.00220 0.02678 0.08347 0.09361 110 4ZZ -0.04575 -0.02288 -0.00243 -0.00296 -0.06596 111 4XY -0.00971 0.02791 -0.01671 0.05910 -0.03025 112 4XZ -0.02705 0.02018 -0.07266 0.00985 -0.02954 113 4YZ -0.01715 -0.00121 -0.01106 0.04296 0.04333 114 12 C 1S 0.02670 -0.02140 -0.01209 0.00232 0.00029 115 2S -0.58029 -0.16938 0.33001 0.23004 0.46998 116 2PX -0.06482 -0.12027 -0.18194 -0.07830 -0.05715 117 2PY 0.27511 0.02975 0.00158 -0.01353 -0.05768 118 2PZ -0.22366 -0.13414 0.13717 0.08970 0.24249 119 3S 1.42282 0.73139 -0.29039 -0.84868 -1.37457 120 3PX 0.13498 0.30916 0.09468 0.66542 0.11283 121 3PY -1.15324 -0.16044 -0.81335 -0.22227 0.15095 122 3PZ -0.07798 0.05204 -0.72054 -0.15177 -0.08520 123 4XX 0.00345 -0.03271 -0.06432 0.02535 -0.07394 124 4YY -0.04811 0.00053 0.01257 0.00851 0.07124 125 4ZZ -0.00401 -0.01719 0.09220 -0.00735 0.07059 126 4XY -0.00655 -0.05397 -0.03020 0.02372 0.03550 127 4XZ 0.06435 0.00430 0.02210 -0.07113 -0.00535 128 4YZ -0.01591 0.01522 0.00654 0.00030 -0.03399 129 13 C 1S -0.02684 -0.02124 0.01198 -0.00229 0.00033 130 2S 0.57918 -0.17363 -0.32928 -0.23282 0.47154 131 2PX 0.06450 -0.12031 0.18168 0.07933 -0.05676 132 2PY 0.27447 -0.03148 0.00204 -0.01440 0.05743 133 2PZ 0.22333 -0.13591 -0.13687 -0.09068 0.24370 134 3S -1.41773 0.74335 0.29205 0.85410 -1.37827 135 3PX -0.13330 0.30533 -0.09339 -0.66780 0.11589 136 3PY -1.15177 0.16839 -0.81292 -0.22135 -0.14747 137 3PZ 0.07682 0.05179 0.71876 0.15378 -0.09001 138 4XX -0.00386 -0.03303 0.06397 -0.02503 -0.07371 139 4YY 0.04822 0.00027 -0.01230 -0.00887 0.07116 140 4ZZ 0.00400 -0.01698 -0.09206 0.00701 0.07071 141 4XY -0.00621 0.05412 -0.03000 0.02323 -0.03563 142 4XZ -0.06429 0.00524 -0.02249 0.07102 -0.00562 143 4YZ -0.01594 -0.01506 0.00665 0.00050 0.03391 144 14 C 1S -0.00664 -0.00246 -0.01119 -0.00771 0.00074 145 2S -0.19274 -0.44862 0.08915 -0.43013 -0.03808 146 2PX 0.19651 -0.04346 0.30448 0.04130 0.10280 147 2PY -0.04469 -0.38649 0.15230 -0.08609 -0.05144 148 2PZ -0.10039 0.01498 -0.18332 0.09713 -0.04380 149 3S 0.45452 1.18185 -1.32901 2.10712 -0.29542 150 3PX -0.90069 0.28978 -1.62763 0.82719 -0.60186 151 3PY 0.21495 0.81466 -0.13736 0.22329 -0.44693 152 3PZ 0.83395 -0.55393 1.55255 -0.49657 0.59455 153 4XX -0.03659 -0.04908 0.00145 0.04629 -0.04207 154 4YY -0.04180 0.00245 -0.02671 -0.08311 0.09388 155 4ZZ 0.04555 -0.02329 0.00241 0.00322 -0.06583 156 4XY -0.00991 -0.02764 -0.01687 0.05930 0.03016 157 4XZ 0.02723 0.01968 0.07267 -0.00953 -0.02946 158 4YZ -0.01718 0.00158 -0.01099 0.04266 -0.04298 159 15 C 1S 0.00094 0.00625 0.00338 -0.01332 -0.01535 160 2S -0.33773 -0.25343 -0.25486 -0.46819 -0.49554 161 2PX -0.00637 -0.10595 0.04320 -0.12720 0.10280 162 2PY -0.06986 -0.07982 -0.27261 0.27502 -0.19427 163 2PZ 0.04289 0.18649 -0.06747 0.14914 0.07579 164 3S 1.22602 0.00381 0.85352 1.85936 1.67516 165 3PX -0.12518 0.23377 -0.91534 1.13440 -0.08581 166 3PY 0.46832 -0.26941 2.07111 -2.33886 0.98516 167 3PZ 0.05869 -0.30746 0.84564 -1.23846 -0.24962 168 4XX -0.00629 -0.01925 0.00076 -0.02098 -0.01977 169 4YY -0.01692 -0.04784 -0.03756 0.02596 -0.02332 170 4ZZ -0.02331 0.03330 0.01385 -0.06161 -0.02423 171 4XY -0.01112 0.02325 -0.01300 -0.00569 0.00853 172 4XZ -0.00261 -0.03595 -0.03198 0.06797 0.02819 173 4YZ 0.00704 -0.08461 0.01220 0.03131 0.05318 174 16 H 1S -0.03426 0.33012 -0.13375 0.22500 -0.25376 175 2S 0.32295 -0.57922 0.29735 0.22848 -0.46407 176 17 H 1S 0.02947 0.19332 0.14254 0.13047 0.39264 177 2S 0.14519 -0.96744 -0.38219 0.15750 -0.14136 178 18 H 1S 0.22076 -0.23266 -0.43824 0.12925 -0.24119 179 2S -0.50165 0.26637 0.59480 0.23584 0.59924 180 19 H 1S -0.22234 -0.23262 0.43670 -0.12673 -0.24031 181 2S 0.50246 0.26212 -0.59402 -0.24340 0.60083 182 20 H 1S -0.02835 0.19382 -0.14237 -0.13025 0.39315 183 2S -0.15071 -0.96829 0.38171 -0.15492 -0.14043 184 21 H 1S 0.03687 0.32912 0.13471 -0.22563 -0.25425 185 2S -0.32828 -0.57563 -0.29859 -0.22988 -0.46515 186 22 H 1S 0.50796 -0.05567 -0.05971 -0.23758 -0.19678 187 2S -1.05550 -0.35440 0.10190 0.24268 0.44527 188 23 H 1S -0.50857 -0.05116 0.05820 0.23842 -0.19837 189 2S 1.05360 -0.36231 -0.10092 -0.24390 0.44844 106 107 108 109 110 V V V V V Eigenvalues -- 1.02297 1.02721 1.09206 1.09919 1.11415 1 1 C 1S 0.01050 -0.00076 -0.00458 0.00910 0.01454 2 2S -0.10681 0.04644 0.08497 -0.21135 0.32792 3 2PX -0.18612 0.06455 0.06092 -0.13972 0.16829 4 2PY 0.18800 0.06735 0.01299 0.00758 -0.05633 5 2PZ 0.04691 -0.09652 0.13389 0.01245 0.05958 6 3S 1.28417 -0.25666 -0.37479 0.45020 -0.03873 7 3PX 0.36772 -0.04183 0.16341 -0.21853 -0.43887 8 3PY -1.23356 -0.17674 0.21604 -0.03896 0.33340 9 3PZ 0.10642 0.17303 -1.09920 0.12508 -0.13176 10 4XX 0.01135 0.00978 0.04169 0.05103 -0.02840 11 4YY 0.01916 -0.00779 -0.00434 -0.05475 0.04711 12 4ZZ 0.02228 0.00398 -0.05020 0.04448 0.02878 13 4XY 0.00707 -0.01574 -0.01296 0.01738 -0.01438 14 4XZ -0.07253 -0.01493 0.01473 0.01265 -0.00879 15 4YZ -0.00039 -0.04921 0.00250 0.05327 0.08907 16 2 C 1S -0.01059 -0.00076 0.00470 0.00899 0.01459 17 2S 0.10571 0.04111 -0.08759 -0.21017 0.33041 18 2PX 0.18601 0.06237 -0.06278 -0.13853 0.16806 19 2PY 0.18727 -0.06903 0.01276 -0.00815 0.05722 20 2PZ -0.04784 -0.09537 -0.13340 0.01406 0.05959 21 3S -1.28379 -0.22979 0.37873 0.44861 -0.05373 22 3PX -0.36573 -0.03768 -0.16622 -0.21877 -0.43247 23 3PY -1.23256 0.19160 0.21599 0.03740 -0.34112 24 3PZ -0.10749 0.17171 1.10101 0.11330 -0.13442 25 4XX -0.01121 0.00972 -0.04048 0.05168 -0.02866 26 4YY -0.01941 -0.00784 0.00354 -0.05459 0.04740 27 4ZZ -0.02241 0.00416 0.05037 0.04358 0.02851 28 4XY 0.00674 0.01570 -0.01333 -0.01714 0.01444 29 4XZ 0.07211 -0.01541 -0.01447 0.01277 -0.00869 30 4YZ -0.00002 0.04918 0.00185 -0.05360 -0.08908 31 3 C 1S -0.00015 -0.00101 0.00027 0.02838 -0.03481 32 2S -0.00112 0.28358 0.00478 0.55334 -0.49410 33 2PX -0.00159 -0.33925 -0.00100 -0.10057 0.03339 34 2PY 0.25322 -0.00142 0.00510 0.00006 0.00001 35 2PZ 0.00083 0.09390 -0.00048 -0.02685 0.02136 36 3S 0.00077 -0.94572 -0.01323 -1.64992 0.76804 37 3PX 0.00456 1.00424 0.00334 0.29780 -0.20810 38 3PY -0.75486 0.00459 0.36868 -0.00217 -0.00069 39 3PZ -0.00136 -0.17188 0.00012 -0.32284 -0.47115 40 4XX 0.00059 0.12181 0.00025 0.01945 -0.10774 41 4YY 0.00016 0.04710 0.00013 0.02848 0.00342 42 4ZZ -0.00096 -0.11862 0.00027 0.01471 -0.03335 43 4XY 0.00350 0.00000 0.14954 -0.00116 0.00012 44 4XZ -0.00025 -0.04060 0.00034 0.05211 0.15567 45 4YZ -0.10162 0.00063 0.05847 -0.00052 0.00042 46 4 O 1S -0.00630 -0.00075 0.00162 0.00670 0.01304 47 2S -0.46069 -0.12655 -0.00484 0.07647 0.21730 48 2PX 0.26774 0.05399 -0.34248 0.03420 -0.07850 49 2PY -0.37341 -0.06484 -0.25274 -0.11253 0.13235 50 2PZ 0.03952 0.06577 -0.26537 -0.31266 -0.41714 51 3S 1.13295 0.11025 0.18374 -0.24522 -0.75909 52 3PX -0.45622 -0.15694 0.71295 -0.25269 0.11846 53 3PY 0.65986 0.20736 0.38926 0.19937 -0.16315 54 3PZ -0.00553 -0.18312 0.30768 0.61691 0.73267 55 4XX -0.12980 -0.07296 -0.09966 0.01331 0.14748 56 4YY -0.09214 -0.03490 0.04644 0.03057 -0.03219 57 4ZZ -0.21136 -0.01582 0.04756 0.00682 0.08824 58 4XY -0.01560 -0.05137 -0.01387 0.00652 0.04812 59 4XZ 0.00429 0.00395 -0.06645 -0.02028 -0.00919 60 4YZ 0.01375 -0.04615 0.00131 0.01462 0.02428 61 5 H 1S 0.07691 -0.00195 -0.24446 0.08863 -0.02602 62 2S 0.14422 0.16970 -0.29738 -0.04537 -0.02327 63 6 H 1S -0.07800 -0.00116 0.24559 0.08511 -0.02638 64 2S -0.14340 0.16749 0.29799 -0.04710 -0.02421 65 7 H 1S -0.00301 -0.47975 0.00089 0.10612 -0.03805 66 2S 0.00450 1.02068 0.00240 0.55817 0.19802 67 8 O 1S 0.00630 -0.00087 -0.00158 0.00679 0.01300 68 2S 0.45912 -0.13188 0.00522 0.07733 0.21766 69 2PX -0.26674 0.05694 0.34366 0.02906 -0.07752 70 2PY -0.37390 0.06808 -0.25129 0.11652 -0.13241 71 2PZ -0.03913 0.06661 0.26204 -0.31683 -0.41452 72 3S -1.13238 0.12282 -0.18443 -0.24654 -0.75700 73 3PX 0.45436 -0.16192 -0.71769 -0.24322 0.11864 74 3PY 0.65929 -0.21314 0.38668 -0.20620 0.16382 75 3PZ 0.00391 -0.18343 -0.30097 0.62239 0.72755 76 4XX 0.12911 -0.07458 0.09924 0.01208 0.14811 77 4YY 0.09165 -0.03634 -0.04600 0.03156 -0.03216 78 4ZZ 0.21118 -0.01782 -0.04751 0.00784 0.08786 79 4XY -0.01474 0.05148 -0.01395 -0.00630 -0.04816 80 4XZ -0.00418 0.00436 0.06608 -0.02126 -0.00938 81 4YZ 0.01386 0.04614 0.00108 -0.01455 -0.02449 82 9 H 1S -0.00008 0.03429 0.00100 0.10087 -0.05029 83 2S 0.00133 0.62649 0.00457 0.47112 -0.32723 84 10 C 1S 0.00452 -0.01311 0.00856 0.01557 -0.01725 85 2S 0.29671 -0.43901 0.30241 0.56385 -0.48761 86 2PX 0.02315 -0.00660 -0.01934 -0.08107 0.10474 87 2PY 0.00023 0.15725 0.03468 0.01707 -0.00843 88 2PZ 0.01084 0.05220 0.01789 0.12119 0.00910 89 3S -1.19222 1.78918 -0.83667 -1.78296 0.98335 90 3PX 0.09616 -0.19675 0.11161 0.69283 -0.27243 91 3PY 0.21711 -0.73069 0.17793 0.13957 -0.16670 92 3PZ -0.22853 0.10718 -0.03588 -0.69856 0.04782 93 4XX -0.00129 0.00935 -0.00583 -0.00583 -0.04621 94 4YY 0.00534 -0.04069 0.00546 0.09237 -0.05723 95 4ZZ 0.02809 -0.03252 0.03363 -0.01840 0.05679 96 4XY -0.00566 0.01969 -0.00416 -0.08287 0.01819 97 4XZ -0.00403 0.00955 -0.01798 -0.01972 0.02810 98 4YZ 0.01060 -0.04174 0.00514 -0.01676 0.01888 99 11 C 1S -0.01106 0.00052 0.01197 -0.02081 -0.01136 100 2S -0.20394 0.22092 -0.12399 -0.82602 0.05762 101 2PX -0.13566 0.12000 0.05043 -0.03485 0.00621 102 2PY 0.06635 0.10475 0.05058 0.03819 -0.11110 103 2PZ -0.01929 -0.06860 0.05487 0.10182 -0.05866 104 3S 0.96553 -1.02737 0.36723 2.74773 -0.53220 105 3PX 0.49511 -0.72666 0.16271 0.40382 -0.17726 106 3PY -0.01764 -0.03048 -0.36220 0.62010 0.13404 107 3PZ -0.26075 0.58388 -0.38422 -0.35408 0.16340 108 4XX 0.00481 -0.01526 0.03866 0.02423 -0.01706 109 4YY -0.01079 0.04081 -0.02384 -0.02285 0.02745 110 4ZZ -0.02227 -0.01522 -0.00659 -0.09217 -0.01670 111 4XY 0.00836 0.00130 0.00909 -0.02547 0.03074 112 4XZ -0.01020 0.01614 -0.02341 -0.01886 0.03508 113 4YZ -0.00543 0.00427 0.00449 -0.02561 0.05505 114 12 C 1S -0.00743 0.00470 -0.01159 0.00044 -0.01160 115 2S -0.10836 -0.35599 0.24911 -0.11190 -0.31892 116 2PX -0.06205 0.01887 -0.07948 -0.16428 0.13913 117 2PY 0.06630 0.23725 -0.11545 0.08698 0.02952 118 2PZ -0.06050 -0.26294 0.10652 -0.06523 -0.03410 119 3S 0.36520 0.97596 -0.34342 0.07491 0.76914 120 3PX -0.04639 -0.02862 0.45988 0.24002 -0.42761 121 3PY -0.19702 -0.39134 0.34385 -0.19191 -0.19036 122 3PZ 0.15552 0.59296 -0.31943 0.52097 0.12515 123 4XX -0.01624 0.01524 -0.02906 -0.01038 -0.01836 124 4YY -0.00461 -0.03547 0.02062 -0.00075 -0.04179 125 4ZZ -0.00511 -0.02503 0.03158 -0.00596 0.00581 126 4XY -0.01147 0.11390 -0.01189 0.09030 0.03018 127 4XZ 0.01811 -0.01701 0.02229 0.02371 -0.05772 128 4YZ -0.00521 -0.01914 0.01982 -0.04178 -0.05638 129 13 C 1S 0.00744 0.00464 0.01174 0.00034 -0.01176 130 2S 0.10094 -0.35667 -0.24727 -0.10767 -0.32274 131 2PX 0.06279 0.01747 0.07640 -0.16513 0.13870 132 2PY 0.06342 -0.23764 -0.11610 -0.08525 -0.03007 133 2PZ 0.05592 -0.26388 -0.10690 -0.06341 -0.03572 134 3S -0.34240 0.97699 0.33333 0.06896 0.78285 135 3PX 0.04560 -0.02238 -0.45467 0.24627 -0.42553 136 3PY -0.19102 0.39515 0.34322 0.18332 0.19256 137 3PZ -0.14999 0.59469 0.32758 0.51366 0.13051 138 4XX 0.01683 0.01541 0.02899 -0.01063 -0.01837 139 4YY 0.00372 -0.03567 -0.02032 -0.00061 -0.04213 140 4ZZ 0.00438 -0.02524 -0.03150 -0.00540 0.00568 141 4XY -0.01223 -0.11387 -0.01287 -0.09011 -0.03006 142 4XZ -0.01832 -0.01758 -0.02178 0.02396 -0.05832 143 4YZ -0.00542 0.01921 0.02041 0.04145 0.05639 144 14 C 1S 0.01110 0.00049 -0.01229 -0.02070 -0.01140 145 2S 0.20763 0.22139 0.11138 -0.82766 0.05667 146 2PX 0.13632 0.11846 -0.05121 -0.03311 0.00514 147 2PY 0.06562 -0.10402 0.04999 -0.04034 0.11235 148 2PZ 0.01927 -0.06942 -0.05355 0.10247 -0.05783 149 3S -0.97771 -1.03217 -0.32272 2.75619 -0.53210 150 3PX -0.49847 -0.72760 -0.15750 0.40678 -0.17668 151 3PY -0.01326 0.02622 -0.37380 -0.60952 -0.13605 152 3PZ 0.26048 0.58309 0.38116 -0.36010 0.15824 153 4XX -0.00487 -0.01558 -0.03829 0.02481 -0.01696 154 4YY 0.01060 0.04122 0.02353 -0.02351 0.02727 155 4ZZ 0.02278 -0.01545 0.00521 -0.09201 -0.01677 156 4XY 0.00806 -0.00189 0.00955 0.02563 -0.03112 157 4XZ 0.01056 0.01617 0.02301 -0.01926 0.03554 158 4YZ -0.00514 -0.00425 0.00518 0.02563 -0.05506 159 15 C 1S -0.00453 -0.01297 -0.00830 0.01558 -0.01728 160 2S -0.29840 -0.43291 -0.29248 0.56431 -0.48773 161 2PX -0.02389 -0.00546 0.01793 -0.08166 0.10445 162 2PY 0.00004 -0.15870 0.03436 -0.01738 0.00873 163 2PZ -0.01069 0.05124 -0.01632 0.12203 0.00934 164 3S 1.19957 1.76455 0.80884 -1.77794 0.98354 165 3PX -0.09847 -0.20422 -0.10082 0.69966 -0.27370 166 3PY 0.21625 0.74252 0.17682 -0.14751 0.16268 167 3PZ 0.23247 0.11450 0.02543 -0.70509 0.05101 168 4XX 0.00163 0.00952 0.00593 -0.00610 -0.04640 169 4YY -0.00580 -0.04091 -0.00391 0.09252 -0.05718 170 4ZZ -0.02825 -0.03177 -0.03413 -0.01826 0.05694 171 4XY -0.00604 -0.01949 -0.00275 0.08259 -0.01811 172 4XZ 0.00386 0.00903 0.01768 -0.01960 0.02807 173 4YZ 0.01047 0.04135 0.00573 0.01720 -0.01932 174 16 H 1S 0.03588 -0.04402 0.08605 -0.10207 -0.02595 175 2S 0.14746 -0.35112 0.09923 -0.10613 -0.16527 176 17 H 1S -0.03741 0.12671 -0.04999 0.10842 -0.09488 177 2S -0.20858 0.00649 -0.25495 -0.29361 0.19180 178 18 H 1S -0.06761 0.43258 -0.29281 0.14334 0.09164 179 2S -0.10131 -1.12842 0.88316 -0.23579 -0.75130 180 19 H 1S 0.07337 0.43348 0.29416 0.13951 0.09267 181 2S 0.08571 -1.12861 -0.88094 -0.22199 -0.75677 182 20 H 1S 0.03573 0.12730 0.05233 0.10701 -0.09570 183 2S 0.20958 0.00635 0.25044 -0.29920 0.19374 184 21 H 1S -0.03378 -0.04184 -0.08830 -0.10316 -0.02408 185 2S -0.14798 -0.34779 -0.10015 -0.10753 -0.16446 186 22 H 1S 0.06595 0.07383 -0.17706 -0.04985 -0.00787 187 2S -0.28937 -0.46882 0.22826 -0.38272 -0.01179 188 23 H 1S -0.06393 0.07315 0.17666 -0.05156 -0.00883 189 2S 0.28122 -0.47177 -0.23230 -0.37761 -0.01615 111 112 113 114 115 V V V V V Eigenvalues -- 1.14920 1.15183 1.18942 1.20406 1.25129 1 1 C 1S 0.00074 -0.02008 -0.00437 0.00221 -0.00728 2 2S 0.58633 -0.12984 0.00774 0.10189 -0.25283 3 2PX 0.10289 0.04657 -0.03896 0.09851 -0.16220 4 2PY -0.10113 0.07379 0.06176 0.13996 0.04429 5 2PZ 0.10747 -0.14550 0.11885 0.07966 0.13956 6 3S -2.39968 -0.27579 0.10109 0.94666 0.57392 7 3PX 0.78195 0.10794 -0.27416 -0.81549 0.99695 8 3PY 1.00807 -0.30879 -0.35811 -0.65197 -0.10710 9 3PZ -0.95213 0.07989 0.11903 0.13802 -1.11202 10 4XX -0.01086 -0.09082 -0.08418 0.02708 0.09064 11 4YY -0.00034 -0.00656 -0.02569 0.00723 -0.00810 12 4ZZ -0.01298 0.04735 0.10266 0.02384 -0.11872 13 4XY -0.00407 0.10440 -0.12511 0.01347 0.00849 14 4XZ -0.01088 -0.03176 0.02079 -0.05647 0.02402 15 4YZ 0.00626 0.00933 -0.03012 0.01875 0.03749 16 2 C 1S -0.00021 -0.02010 -0.00438 -0.00222 0.00752 17 2S -0.58014 -0.14562 0.00605 -0.10265 0.25751 18 2PX -0.10213 0.04326 -0.03944 -0.09961 0.16405 19 2PY -0.09884 -0.07535 -0.06291 0.13996 0.04310 20 2PZ -0.10381 -0.14846 0.11901 -0.07800 -0.13854 21 3S 2.40362 -0.22025 0.11368 -0.94463 -0.57859 22 3PX -0.78523 0.09413 -0.27829 0.81557 -1.00486 23 3PY 0.99616 0.33118 0.36302 -0.64987 -0.10554 24 3PZ 0.95061 0.10028 0.12198 -0.13956 1.11370 25 4XX 0.01284 -0.09080 -0.08400 -0.02744 -0.08824 26 4YY 0.00103 -0.00648 -0.02591 -0.00753 0.00771 27 4ZZ 0.01160 0.04745 0.10295 -0.02323 0.11815 28 4XY -0.00169 -0.10445 0.12490 0.01421 0.00623 29 4XZ 0.01136 -0.03130 0.02067 0.05666 -0.02473 30 4YZ 0.00621 -0.00925 0.02968 0.01882 0.03733 31 3 C 1S -0.00043 0.02226 0.04280 0.00008 0.00044 32 2S -0.00641 0.30674 0.74476 0.00173 0.00720 33 2PX 0.00037 -0.06265 0.28999 0.00095 -0.00008 34 2PY 0.03738 0.00034 0.00005 0.00611 0.05640 35 2PZ -0.00212 0.17966 -0.02063 -0.00039 -0.00014 36 3S 0.01170 -0.52614 -1.16768 -0.00231 -0.02110 37 3PX 0.00609 -0.47138 -0.39053 0.00041 0.00021 38 3PY 0.44423 0.00416 0.00385 -0.60864 0.11057 39 3PZ 0.00910 -0.72197 -0.41012 0.00032 0.00195 40 4XX -0.00030 0.00520 -0.00716 0.00017 0.00045 41 4YY 0.00052 -0.04347 0.11031 0.00035 -0.00059 42 4ZZ -0.00207 0.15076 0.01013 -0.00035 0.00072 43 4XY 0.00372 0.00035 0.00020 -0.01963 0.07458 44 4XZ 0.00274 -0.20509 -0.00396 0.00028 -0.00049 45 4YZ -0.07036 -0.00080 -0.00017 0.06269 0.01605 46 4 O 1S -0.00251 -0.01387 0.01447 0.00271 -0.00406 47 2S 0.07285 -0.27593 0.18900 0.02915 -0.01563 48 2PX -0.01263 -0.42861 0.05292 0.14253 0.02233 49 2PY -0.03067 -0.16174 -0.23462 -0.02816 -0.10594 50 2PZ 0.25463 -0.11151 0.00107 -0.24883 0.09530 51 3S 0.36916 0.67087 -0.37482 -0.15598 0.48416 52 3PX 0.37227 0.80689 -0.10458 -0.46382 0.16952 53 3PY -0.01767 0.27391 0.48000 0.08512 0.17087 54 3PZ -0.59805 0.13210 0.11672 0.65244 -0.21786 55 4XX 0.03727 -0.09294 0.09089 -0.00340 -0.08742 56 4YY 0.04241 0.04914 0.04947 0.00800 0.01558 57 4ZZ -0.01271 -0.19994 0.00778 0.00457 0.05254 58 4XY -0.00159 0.01874 0.01830 -0.03729 -0.00490 59 4XZ -0.05806 0.04947 -0.05271 -0.02314 -0.06233 60 4YZ -0.00786 0.05390 -0.06425 0.03407 0.00332 61 5 H 1S -0.19128 -0.05103 0.24726 0.01547 -0.33454 62 2S -0.20172 0.18337 -0.10140 0.16576 -0.33795 63 6 H 1S 0.19158 -0.04658 0.24765 -0.01392 0.33556 64 2S 0.19813 0.18616 -0.10034 -0.16814 0.34230 65 7 H 1S -0.00101 0.03255 0.16183 0.00012 0.00206 66 2S -0.00806 0.59777 0.58127 0.00048 0.00173 67 8 O 1S 0.00287 -0.01387 0.01442 -0.00261 0.00387 68 2S -0.06591 -0.27792 0.18777 -0.02763 0.01531 69 2PX 0.02214 -0.42859 0.05439 -0.13993 -0.01905 70 2PY -0.03529 0.16058 0.23440 -0.02781 -0.10428 71 2PZ -0.25329 -0.11527 -0.00034 0.25064 -0.09783 72 3S -0.38769 0.66387 -0.37281 0.15359 -0.47726 73 3PX -0.38966 0.80025 -0.10955 0.45908 -0.17785 74 3PY -0.01070 -0.27327 -0.47977 0.08477 0.16996 75 3PZ 0.59655 0.14125 0.12118 -0.65523 0.22570 76 4XX -0.03462 -0.09354 0.09053 0.00428 0.08563 77 4YY -0.04391 0.04800 0.04876 -0.00822 -0.01371 78 4ZZ 0.01785 -0.19996 0.00767 -0.00396 -0.05387 79 4XY -0.00143 -0.01922 -0.01785 -0.03704 -0.00421 80 4XZ 0.05697 0.05099 -0.05261 0.02262 0.06159 81 4YZ -0.00693 -0.05343 0.06403 0.03501 0.00209 82 9 H 1S 0.00246 -0.23459 0.17306 0.00099 0.00210 83 2S -0.00124 0.03987 -0.11284 -0.00022 0.00386 84 10 C 1S -0.00266 0.00058 -0.00161 -0.00950 -0.04037 85 2S -0.01432 0.03918 -0.18276 -0.35370 -0.90773 86 2PX 0.00682 0.01678 -0.00086 0.08073 0.03465 87 2PY -0.05777 -0.07615 -0.04390 -0.07594 -0.00064 88 2PZ -0.05679 -0.02592 0.05187 -0.11833 0.15795 89 3S -0.38109 -0.43785 0.02177 -0.07386 3.45183 90 3PX -0.62535 -0.05849 -0.10516 -0.45736 0.04096 91 3PY 0.21819 0.32243 0.42917 -0.85439 0.19848 92 3PZ 1.03943 0.09919 0.14635 0.27773 -0.76799 93 4XX -0.05826 0.02243 -0.00632 -0.02565 -0.04026 94 4YY 0.00393 -0.00963 -0.02824 -0.01233 -0.01645 95 4ZZ 0.06690 -0.00495 0.02339 -0.00023 -0.03159 96 4XY -0.03520 0.01140 0.11163 -0.02812 0.06135 97 4XZ 0.01249 0.00430 -0.00703 0.05155 0.07697 98 4YZ 0.05287 0.04332 0.12670 0.00007 -0.01132 99 11 C 1S 0.00780 0.00333 0.00505 0.02083 0.00080 100 2S -0.40217 0.26829 0.07532 0.20134 0.26686 101 2PX -0.03697 -0.16540 0.02947 -0.02821 0.02197 102 2PY -0.29273 -0.06023 0.10137 -0.33543 0.05162 103 2PZ 0.14027 0.01389 0.08652 -0.02020 -0.07003 104 3S -0.28188 -0.39032 -0.77394 -1.58419 -0.88072 105 3PX -0.01884 0.43238 0.17149 0.24614 -0.56488 106 3PY 0.60949 0.04688 -0.87524 1.77412 -0.14420 107 3PZ -0.62327 -0.27259 -0.95880 0.38193 0.33646 108 4XX 0.02649 -0.03251 -0.05369 -0.00327 -0.04331 109 4YY -0.02246 0.01578 -0.01857 0.13665 -0.00443 110 4ZZ -0.02504 0.04172 0.06178 -0.08055 0.04721 111 4XY 0.04138 -0.01450 0.01887 -0.05767 0.05133 112 4XZ 0.10586 -0.00212 -0.00800 0.01887 0.02249 113 4YZ 0.03874 0.01749 -0.00928 0.02241 0.07779 114 12 C 1S -0.02842 0.00226 -0.03876 0.01339 -0.01227 115 2S -0.38637 0.04991 -0.80767 0.18448 -0.28414 116 2PX -0.08507 -0.01554 0.11808 0.00219 -0.14968 117 2PY 0.01145 0.04199 -0.04719 -0.04726 0.01397 118 2PZ -0.12656 -0.10805 0.03562 0.16588 -0.03474 119 3S 1.27157 0.36681 2.26668 -1.54525 0.90815 120 3PX 0.42556 -0.06292 -0.04904 -0.38238 0.81360 121 3PY -0.53702 -0.17351 -0.29731 -1.06619 0.24606 122 3PZ 0.56716 0.05586 -0.52313 -0.43845 0.39336 123 4XX 0.01112 -0.00130 0.00535 -0.00963 0.00532 124 4YY -0.01703 -0.01443 -0.07319 -0.01440 -0.01289 125 4ZZ -0.05131 0.02425 -0.05730 0.03742 -0.02314 126 4XY 0.00196 -0.00965 -0.06095 0.00514 0.00675 127 4XZ -0.06471 -0.04602 0.00085 0.04346 -0.09972 128 4YZ -0.03522 0.00045 0.08705 -0.06276 -0.00498 129 13 C 1S 0.02842 0.00290 -0.03858 -0.01372 0.01276 130 2S 0.38563 0.05833 -0.80609 -0.19048 0.29037 131 2PX 0.08643 -0.01345 0.11805 -0.00165 0.15261 132 2PY 0.01201 -0.04196 0.04732 -0.04652 0.01458 133 2PZ 0.12905 -0.10571 0.03673 -0.16486 0.03549 134 3S -1.28368 0.34287 2.25469 1.56052 -0.93242 135 3PX -0.42777 -0.07265 -0.05062 0.38302 -0.82016 136 3PY -0.54056 0.15889 0.30254 -1.06435 0.23837 137 3PZ -0.56727 0.04321 -0.52417 0.43190 -0.39107 138 4XX -0.01095 -0.00166 0.00529 0.00924 -0.00365 139 4YY 0.01750 -0.01398 -0.07297 0.01416 0.01343 140 4ZZ 0.05051 0.02549 -0.05728 -0.03774 0.02214 141 4XY 0.00147 0.00981 0.06080 0.00513 0.00835 142 4XZ 0.06542 -0.04454 0.00103 -0.04304 0.09952 143 4YZ -0.03475 -0.00160 -0.08684 -0.06321 -0.00461 144 14 C 1S -0.00793 0.00304 0.00510 -0.02073 -0.00118 145 2S 0.39833 0.27723 0.07782 -0.20111 -0.27180 146 2PX 0.04082 -0.16541 0.02931 0.02860 -0.01997 147 2PY -0.29273 0.05192 -0.10026 -0.33662 0.05197 148 2PZ -0.14250 0.01106 0.08570 0.02009 0.06952 149 3S 0.28225 -0.37423 -0.78442 1.57964 0.89326 150 3PX 0.00525 0.43612 0.16845 -0.24567 0.55645 151 3PY 0.60570 -0.02604 0.86823 1.77916 -0.13987 152 3PZ 0.63868 -0.26276 -0.95163 -0.38469 -0.32706 153 4XX -0.02616 -0.03305 -0.05393 0.00381 0.04281 154 4YY 0.02243 0.01596 -0.01784 -0.13701 0.00353 155 4ZZ 0.02434 0.04242 0.06148 0.08040 -0.04613 156 4XY 0.04086 0.01525 -0.01856 -0.05787 0.05127 157 4XZ -0.10552 -0.00485 -0.00822 -0.01933 -0.02108 158 4YZ 0.03880 -0.01656 0.00892 0.02183 0.07829 159 15 C 1S 0.00247 0.00069 -0.00175 0.00954 0.04022 160 2S 0.00991 0.04202 -0.18709 0.35415 0.90354 161 2PX -0.00634 0.01595 -0.00029 -0.08153 -0.03313 162 2PY -0.06000 0.07465 0.04401 -0.07664 0.00038 163 2PZ 0.05690 -0.02371 0.05175 0.11885 -0.15917 164 3S 0.40353 -0.43387 0.03054 0.07282 -3.44255 165 3PX 0.62312 -0.03877 -0.10713 0.45924 -0.04566 166 3PY 0.23283 -0.32318 -0.42221 -0.85423 0.19700 167 3PZ -1.04010 0.07024 0.14460 -0.28003 0.77265 168 4XX 0.05779 0.02390 -0.00623 0.02501 0.04076 169 4YY -0.00433 -0.00954 -0.02822 0.01247 0.01579 170 4ZZ -0.06657 -0.00658 0.02276 0.00068 0.03173 171 4XY -0.03507 -0.01225 -0.11163 -0.02867 0.06154 172 4XZ -0.01233 0.00384 -0.00662 -0.05180 -0.07627 173 4YZ 0.05410 -0.04210 -0.12670 -0.00024 -0.01173 174 16 H 1S 0.39783 0.07776 0.14245 -0.05153 -0.37774 175 2S 0.39048 0.14258 -0.02343 0.02647 -0.65639 176 17 H 1S 0.09894 -0.04499 -0.13719 0.54270 0.05447 177 2S 0.29700 0.20608 -0.30891 0.82698 0.06605 178 18 H 1S 0.00047 0.08600 -0.10674 -0.14463 0.08795 179 2S -0.46081 -0.24618 -0.36916 0.08245 -0.02828 180 19 H 1S -0.00171 0.08654 -0.10646 0.14262 -0.08572 181 2S 0.46271 -0.23608 -0.36843 -0.08315 0.02851 182 20 H 1S -0.09760 -0.04951 -0.13436 -0.54261 -0.05761 183 2S -0.29841 0.19607 -0.30435 -0.82891 -0.06764 184 21 H 1S -0.40072 0.06859 0.14067 0.05205 0.37776 185 2S -0.39464 0.13294 -0.02568 -0.02784 0.65859 186 22 H 1S -0.25537 0.04117 -0.13670 0.08237 -0.18461 187 2S -0.49641 -0.07259 -0.13608 0.20970 -0.35397 188 23 H 1S 0.25501 0.04712 -0.13619 -0.08387 0.18649 189 2S 0.49942 -0.06164 -0.13469 -0.21026 0.36075 116 117 118 119 120 V V V V V Eigenvalues -- 1.26441 1.36726 1.37043 1.39833 1.42713 1 1 C 1S -0.01138 0.01629 0.02495 -0.02885 0.00976 2 2S -0.32041 0.38588 0.34667 -0.50833 0.36928 3 2PX -0.13312 0.07717 0.03588 -0.14996 0.07947 4 2PY -0.11084 -0.04019 -0.00245 0.04261 0.06951 5 2PZ 0.01402 0.17893 0.08628 -0.10613 -0.00327 6 3S 0.36552 -0.59616 -1.52430 1.14689 -1.28380 7 3PX 0.45237 0.20432 -0.42189 -0.04991 0.35617 8 3PY 0.23778 0.13489 1.91554 0.11066 -0.34060 9 3PZ -0.25611 -0.51595 -0.13450 0.49924 0.18114 10 4XX -0.14302 -0.02640 0.15388 -0.13843 -0.01163 11 4YY 0.02600 0.05706 -0.01410 -0.09268 0.00101 12 4ZZ 0.02775 -0.01670 -0.08872 0.22904 -0.00600 13 4XY -0.12683 0.24424 -0.03579 -0.07516 0.01182 14 4XZ 0.04365 -0.17167 -0.06984 0.01076 -0.02505 15 4YZ 0.00784 0.10545 -0.00091 0.09652 -0.09715 16 2 C 1S -0.01124 0.01589 -0.02516 -0.02894 -0.00960 17 2S -0.31637 0.37852 -0.35264 -0.51064 -0.36694 18 2PX -0.13106 0.07637 -0.03664 -0.15018 -0.07903 19 2PY 0.11127 0.03944 -0.00265 -0.04242 0.07000 20 2PZ 0.01199 0.17698 -0.08938 -0.10705 0.00345 21 3S 0.35629 -0.56102 1.53225 1.15539 1.28111 22 3PX 0.43891 0.20913 0.41752 -0.05067 -0.35538 23 3PY -0.23876 -0.08975 1.91731 -0.10432 -0.34171 24 3PZ -0.24088 -0.51023 0.14673 0.49870 -0.18263 25 4XX -0.14444 -0.02899 -0.15259 -0.14014 0.01120 26 4YY 0.02604 0.05798 0.01336 -0.09235 -0.00049 27 4ZZ 0.02972 -0.01560 0.08802 0.23017 0.00620 28 4XY 0.12672 -0.24461 -0.03131 0.07502 0.01044 29 4XZ 0.04350 -0.17032 0.07352 0.01129 0.02484 30 4YZ -0.00749 -0.10515 0.00176 -0.09784 -0.09751 31 3 C 1S -0.05235 -0.00937 0.00003 0.02837 -0.00002 32 2S -0.82036 0.04643 -0.00119 0.32662 -0.00009 33 2PX 0.05172 -0.02876 0.00031 0.04112 -0.00015 34 2PY 0.00054 -0.00213 -0.17746 -0.00008 0.06183 35 2PZ 0.00190 0.03012 -0.00058 0.01055 0.00003 36 3S 2.59772 -0.03902 0.00247 -1.08463 -0.00060 37 3PX -0.02748 0.30923 -0.00228 -0.26527 0.00074 38 3PY 0.00222 -0.01104 -0.98895 -0.00080 0.27295 39 3PZ -0.30549 0.12319 -0.00195 0.05741 0.00144 40 4XX -0.08373 0.07473 -0.00102 0.08338 0.00008 41 4YY 0.10590 -0.07446 0.00061 -0.00383 -0.00063 42 4ZZ -0.08512 -0.01016 0.00040 -0.05404 0.00047 43 4XY 0.00083 -0.00090 -0.06751 0.00114 0.36265 44 4XZ 0.07624 -0.12740 0.00130 0.04471 0.00024 45 4YZ 0.00048 0.00151 0.16910 0.00143 0.29067 46 4 O 1S 0.01455 -0.01726 -0.00025 0.01511 -0.01371 47 2S 0.05337 -0.18687 0.12036 0.14293 -0.27674 48 2PX -0.21562 0.04059 0.30905 0.07843 -0.05417 49 2PY 0.04482 -0.02474 0.10771 0.03042 0.02988 50 2PZ 0.11106 0.10795 -0.23905 -0.01650 0.19766 51 3S -0.51248 0.73500 -0.08353 -0.51246 0.78578 52 3PX 0.58459 0.02030 -0.94677 -0.49914 0.27180 53 3PY 0.07812 -0.04842 -0.50172 -0.07360 -0.00154 54 3PZ -0.39800 -0.27044 0.86130 0.18061 -0.65065 55 4XX 0.11570 -0.05549 -0.01930 0.19716 -0.23038 56 4YY -0.11124 0.05089 -0.03241 0.00914 -0.05896 57 4ZZ 0.09529 -0.18471 0.13034 -0.06278 0.07377 58 4XY 0.06687 -0.09049 -0.06482 -0.06288 -0.20190 59 4XZ 0.02350 0.00002 -0.10066 0.04604 0.06396 60 4YZ -0.07750 0.01239 0.05879 -0.12341 -0.19183 61 5 H 1S -0.00766 -0.04642 -0.14482 -0.04219 0.15838 62 2S -0.38002 -0.19969 -0.29672 -0.02674 0.29785 63 6 H 1S -0.00296 -0.04271 0.14612 -0.04174 -0.15857 64 2S -0.37496 -0.19154 0.30071 -0.02629 -0.29792 65 7 H 1S -0.24456 -0.12870 0.00103 0.14248 -0.00015 66 2S -0.15183 0.08181 -0.00137 0.16889 -0.00060 67 8 O 1S 0.01453 -0.01711 0.00055 0.01504 0.01360 68 2S 0.05241 -0.18688 -0.11676 0.14146 0.27628 69 2PX -0.21529 0.03427 -0.30974 0.07706 0.05490 70 2PY -0.04681 0.02745 0.10689 -0.03026 0.03001 71 2PZ 0.10911 0.11289 0.23677 -0.01697 -0.19761 72 3S -0.51557 0.72964 0.06981 -0.51026 -0.78294 73 3PX 0.58076 0.03952 0.94749 -0.49561 -0.27294 74 3PY -0.07378 0.03612 -0.50115 0.07253 -0.00133 75 3PZ -0.39382 -0.28795 -0.85700 0.18077 0.64999 76 4XX 0.11718 -0.05517 0.01984 0.19888 0.23068 77 4YY -0.11223 0.05259 0.03105 0.00826 0.05951 78 4ZZ 0.09406 -0.18641 -0.12584 -0.06476 -0.07523 79 4XY -0.06693 0.08912 -0.06722 0.06151 -0.20134 80 4XZ 0.02439 0.00162 0.10015 0.04698 -0.06398 81 4YZ 0.07680 -0.01068 0.05890 0.12285 -0.19158 82 9 H 1S -0.23102 0.05447 -0.00044 0.04462 0.00024 83 2S -0.48236 0.12574 -0.00124 -0.00429 0.00041 84 10 C 1S 0.01196 0.00365 0.02927 -0.00457 0.01972 85 2S 0.34188 0.09401 0.56081 -0.12111 0.40283 86 2PX -0.10625 -0.06393 -0.03648 -0.02800 -0.00526 87 2PY 0.08210 0.00656 -0.01918 -0.06958 -0.02542 88 2PZ 0.10650 0.04009 0.07470 -0.05048 0.09573 89 3S -0.60010 -0.24139 -1.90230 0.02685 -2.71393 90 3PX 0.43456 0.23905 0.59471 -0.28774 0.90101 91 3PY -0.19835 -0.02975 -0.41357 0.40932 -1.27748 92 3PZ -0.41053 -0.18051 -0.25694 0.39567 -1.30371 93 4XX -0.00622 -0.15041 0.12375 -0.19789 0.08304 94 4YY 0.06986 0.04897 0.00175 -0.04159 -0.00138 95 4ZZ -0.05204 0.09782 -0.07933 0.22853 -0.07181 96 4XY 0.00377 -0.04171 0.00530 -0.02400 -0.01587 97 4XZ -0.04816 -0.05881 -0.05432 0.06702 0.00696 98 4YZ -0.01379 -0.05300 0.02932 -0.11109 -0.01213 99 11 C 1S 0.02395 -0.00363 0.00679 0.03046 -0.00202 100 2S 0.22321 -0.04324 0.01125 0.38672 -0.13188 101 2PX -0.09507 -0.00035 0.04881 -0.08870 0.04703 102 2PY -0.00710 -0.08389 0.06422 0.07751 -0.07207 103 2PZ 0.03938 0.00484 0.04298 0.00862 -0.01734 104 3S -0.73041 -0.18195 0.47930 -1.03283 1.48936 105 3PX 0.48812 0.08950 -0.14599 0.30211 0.17128 106 3PY 0.42343 0.06595 -0.28868 -0.47467 1.33780 107 3PZ -0.58556 -0.42671 -0.45771 -0.25068 0.28425 108 4XX -0.00561 0.08706 -0.09762 0.19274 -0.03589 109 4YY 0.06287 0.05428 -0.02967 -0.05823 0.06561 110 4ZZ -0.04280 -0.15577 0.12301 -0.07157 0.00247 111 4XY -0.00066 0.05338 0.03289 0.04555 -0.05937 112 4XZ -0.07323 -0.05144 0.02002 0.00091 0.01922 113 4YZ 0.00084 0.09177 -0.08142 0.16014 -0.08263 114 12 C 1S -0.04216 -0.03946 -0.02395 0.00591 0.02058 115 2S -0.64113 -0.62220 -0.26882 0.37798 0.22959 116 2PX -0.18622 0.11257 -0.14842 0.00540 -0.08376 117 2PY 0.01368 -0.10124 0.05314 0.06533 -0.01110 118 2PZ 0.00010 0.20037 -0.08437 -0.15565 0.03426 119 3S 1.88508 1.35629 1.30084 0.01062 -1.59149 120 3PX 0.38375 -0.21745 0.85409 0.05766 0.28426 121 3PY -0.53533 -0.18149 0.30739 -0.18003 -0.32706 122 3PZ -0.11348 -0.40341 0.30063 -0.01819 0.36417 123 4XX -0.07920 -0.08669 0.02794 -0.06982 0.05283 124 4YY -0.04839 -0.05689 0.01150 0.00793 -0.00256 125 4ZZ 0.01795 0.07110 -0.07628 0.09434 -0.03828 126 4XY 0.09062 0.07362 -0.04559 0.07227 -0.02639 127 4XZ 0.00894 0.00339 -0.08880 -0.00179 -0.00911 128 4YZ 0.01382 -0.13523 0.04245 -0.00561 -0.02411 129 13 C 1S -0.04189 -0.03901 0.02469 0.00610 -0.02054 130 2S -0.63584 -0.61683 0.27874 0.38028 -0.23086 131 2PX -0.18420 0.11612 0.14557 0.00734 0.08275 132 2PY -0.01352 0.10201 0.05123 -0.06467 -0.01090 133 2PZ 0.00110 0.20197 0.08106 -0.15504 -0.03333 134 3S 1.86502 1.33409 -1.32852 0.00257 1.58615 135 3PX 0.37249 -0.23938 -0.84886 0.04826 -0.28280 136 3PY 0.54230 0.19094 0.30321 0.18395 -0.32770 137 3PZ -0.11956 -0.41324 -0.29000 -0.02312 -0.36233 138 4XX -0.07903 -0.08774 -0.02492 -0.07026 -0.05129 139 4YY -0.04824 -0.05762 -0.01056 0.00777 0.00261 140 4ZZ 0.01819 0.07369 0.07352 0.09534 0.03666 141 4XY -0.09057 -0.07459 -0.04262 -0.07269 -0.02399 142 4XZ 0.01050 0.00520 0.08804 -0.00056 0.00795 143 4YZ -0.01383 0.13618 0.03973 0.00590 -0.02376 144 14 C 1S 0.02390 -0.00355 -0.00677 0.03052 0.00197 145 2S 0.21852 -0.03842 -0.01099 0.38706 0.13121 146 2PX -0.09530 -0.00271 -0.04825 -0.08853 -0.04649 147 2PY 0.00838 0.08569 0.06338 -0.07721 -0.07104 148 2PZ 0.04059 0.00370 -0.04354 0.00885 0.01681 149 3S -0.71614 -0.21511 -0.47627 -1.04126 -1.48830 150 3PX 0.49692 0.09297 0.14028 0.30396 -0.17728 151 3PY -0.42871 -0.06754 -0.29489 0.47649 1.32823 152 3PZ -0.59162 -0.41612 0.47063 -0.24968 -0.27563 153 4XX -0.00512 0.08889 0.09394 0.19387 0.03366 154 4YY 0.06312 0.05563 0.02942 -0.05754 -0.06486 155 4ZZ -0.04366 -0.15861 -0.11894 -0.07318 -0.00111 156 4XY 0.00166 -0.05245 0.03394 -0.04435 -0.05957 157 4XZ -0.07356 -0.05193 -0.01808 0.00060 -0.01804 158 4YZ 0.00044 -0.09370 -0.07808 -0.16074 -0.08129 159 15 C 1S 0.01258 0.00289 -0.02939 -0.00478 -0.01972 160 2S 0.35494 0.07885 -0.56248 -0.12514 -0.40149 161 2PX -0.10643 -0.06293 0.03807 -0.02796 0.00548 162 2PY -0.08201 -0.00712 -0.01998 0.06944 -0.02673 163 2PZ 0.10389 0.03762 -0.07493 -0.05141 -0.09465 164 3S -0.65428 -0.18273 1.91290 0.04380 2.71949 165 3PX 0.43437 0.21808 -0.59762 -0.29305 -0.89750 166 3PY 0.20373 0.01795 -0.40771 -0.41785 -1.27092 167 3PZ -0.39897 -0.16493 0.25681 0.40130 1.29651 168 4XX -0.00555 -0.15316 -0.11898 -0.19881 -0.08053 169 4YY 0.07004 0.04881 -0.00274 -0.04176 0.00150 170 4ZZ -0.05163 0.09968 0.07564 0.22941 0.06940 171 4XY -0.00279 0.04166 0.00412 0.02386 -0.01599 172 4XZ -0.04917 -0.05785 0.05520 0.06704 -0.00722 173 4YZ 0.01376 0.05339 0.02784 0.11096 -0.01279 174 16 H 1S -0.07197 -0.04180 0.01190 0.19069 -0.23733 175 2S -0.22599 -0.14952 -0.04618 0.24030 -0.43933 176 17 H 1S 0.24025 -0.08151 -0.12148 0.04781 0.16556 177 2S 0.14684 0.05160 -0.11991 -0.05595 0.34203 178 18 H 1S -0.15588 -0.17480 0.07282 -0.03487 0.13058 179 2S -0.12960 -0.30838 0.06472 0.14710 0.17743 180 19 H 1S -0.15670 -0.17737 -0.06907 -0.03588 -0.13039 181 2S -0.12825 -0.31126 -0.05910 0.14588 -0.17641 182 20 H 1S 0.24040 -0.07831 0.12438 0.04848 -0.16389 183 2S 0.14712 0.05596 0.12115 -0.05572 -0.33797 184 21 H 1S -0.06648 -0.04080 -0.01332 0.19174 0.23449 185 2S -0.21619 -0.14567 0.04633 0.24266 0.43541 186 22 H 1S -0.17242 -0.21861 -0.17037 0.01977 0.00130 187 2S -0.47351 0.10709 -0.39469 0.00248 -0.05634 188 23 H 1S -0.16963 -0.21415 0.17448 0.02114 -0.00136 189 2S -0.46804 0.11595 0.39143 0.00689 0.05545 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43858 1.47573 1.49205 1.52643 1 1 C 1S -0.00370 -0.01670 0.00725 -0.02113 -0.00043 2 2S 0.00553 0.08632 0.14192 -0.09054 0.17296 3 2PX -0.01531 0.10395 0.06958 0.00624 0.07989 4 2PY 0.03615 0.01807 -0.00601 -0.03395 0.05624 5 2PZ 0.01488 0.08263 0.02891 -0.02030 0.02941 6 3S -0.11882 0.19251 -0.34452 -0.74657 -0.30811 7 3PX 0.06608 -0.02011 -0.08566 0.98218 -0.21416 8 3PY -0.11922 -0.27990 -0.10213 0.90061 -0.22988 9 3PZ -0.07237 -0.57108 -0.02778 -0.70073 0.03699 10 4XX 0.21552 -0.10582 -0.09948 -0.02434 -0.07293 11 4YY -0.00015 -0.00448 0.03963 -0.00390 0.03301 12 4ZZ -0.22942 0.06403 0.04357 -0.06277 0.00144 13 4XY -0.14677 -0.01757 0.06069 0.00358 -0.02551 14 4XZ 0.02628 -0.04639 -0.02073 -0.01968 -0.01810 15 4YZ -0.19425 0.04183 0.07831 0.04873 -0.01812 16 2 C 1S -0.00394 0.01646 0.00707 0.02107 -0.00053 17 2S 0.00274 -0.09015 0.13865 0.09081 0.17123 18 2PX -0.01503 -0.10511 0.06869 -0.00558 0.07938 19 2PY -0.03582 0.01739 0.00632 -0.03468 -0.05601 20 2PZ 0.01502 -0.08323 0.02742 0.02004 0.02890 21 3S -0.10471 -0.18603 -0.34467 0.74533 -0.30686 22 3PX 0.06295 0.02038 -0.07823 -0.98444 -0.21035 23 3PY 0.12387 -0.27985 0.09694 0.90230 0.22750 24 3PZ -0.07635 0.57275 -0.02684 0.70466 0.03629 25 4XX 0.21451 0.10844 -0.09942 0.02205 -0.07299 26 4YY -0.00102 0.00353 0.03997 0.00401 0.03292 27 4ZZ -0.22780 -0.06573 0.04273 0.06443 0.00132 28 4XY 0.14672 -0.01477 -0.06089 0.00459 0.02554 29 4XZ 0.02650 0.04727 -0.02024 0.01955 -0.01785 30 4YZ 0.19374 0.04418 -0.07869 0.04861 0.01795 31 3 C 1S 0.00075 0.00009 -0.00743 -0.00003 -0.00681 32 2S 0.01648 0.00101 -0.12552 -0.00076 -0.07181 33 2PX 0.00490 0.00012 -0.01565 0.00019 0.06207 34 2PY -0.00018 0.03462 0.00116 -0.22518 0.00044 35 2PZ 0.03078 0.00027 -0.04165 -0.00057 -0.01868 36 3S 0.03811 -0.00315 0.46565 0.00398 0.66473 37 3PX -0.12284 -0.00178 0.11284 -0.00012 -0.01757 38 3PY -0.00123 0.28179 0.00401 -0.72620 0.00143 39 3PZ -0.34167 -0.00195 0.18404 -0.00023 -0.18290 40 4XX -0.09713 -0.00046 0.02625 0.00007 -0.03331 41 4YY 0.02016 0.00050 0.02674 0.00025 0.04152 42 4ZZ 0.08018 0.00004 -0.04826 -0.00019 -0.00094 43 4XY 0.00221 -0.21240 -0.00028 -0.06653 0.00002 44 4XZ -0.03040 -0.00023 0.04433 0.00029 -0.03234 45 4YZ 0.00240 -0.27161 -0.00100 0.09119 -0.00026 46 4 O 1S -0.00047 0.00268 -0.00104 -0.05069 0.01123 47 2S -0.04654 0.00061 0.01119 -0.82264 0.14998 48 2PX -0.08816 -0.12822 -0.00139 0.02247 -0.03666 49 2PY -0.02532 -0.04651 -0.00265 0.19760 -0.05626 50 2PZ -0.02696 0.02970 0.04262 -0.07273 -0.00261 51 3S 0.09807 0.03009 -0.01522 2.36424 -0.47909 52 3PX 0.27409 0.39577 0.05446 -0.04262 0.15557 53 3PY 0.09837 0.14713 0.03239 -0.79002 0.27516 54 3PZ 0.13818 -0.07799 -0.18078 0.15887 -0.03698 55 4XX -0.22507 0.16169 0.09000 -0.13830 0.05528 56 4YY 0.02260 0.01338 -0.04297 -0.39769 0.04902 57 4ZZ 0.15995 -0.16842 -0.04357 -0.10220 0.01048 58 4XY 0.08342 0.11757 -0.01303 0.03627 0.01810 59 4XZ -0.08440 0.00731 0.03062 0.15601 -0.03371 60 4YZ 0.12773 0.05820 -0.06723 0.02914 -0.01964 61 5 H 1S -0.01298 -0.10322 0.05971 -0.24330 0.04644 62 2S 0.03411 -0.14261 0.07011 -0.37882 0.11127 63 6 H 1S -0.01429 0.10275 0.05844 0.24404 0.04571 64 2S 0.03212 0.14292 0.06950 0.38132 0.11032 65 7 H 1S 0.01688 0.00058 -0.03688 0.00000 -0.03035 66 2S 0.19117 0.00181 -0.23556 -0.00141 -0.00636 67 8 O 1S -0.00033 -0.00257 -0.00150 0.05083 0.01108 68 2S -0.04462 -0.00041 0.00369 0.82418 0.14740 69 2PX -0.08957 0.12737 -0.00062 -0.02307 -0.03654 70 2PY 0.02611 -0.04635 0.00048 0.19778 0.05567 71 2PZ -0.02767 -0.03056 0.04144 0.07336 -0.00289 72 3S 0.09159 -0.03240 0.00446 -2.36995 -0.47202 73 3PX 0.27772 -0.39486 0.05151 0.04398 0.15501 74 3PY -0.10103 0.14611 -0.02432 -0.79212 -0.27252 75 3PZ 0.14025 0.08207 -0.17840 -0.16162 -0.03673 76 4XX -0.22192 -0.16392 0.08811 0.14017 0.05475 77 4YY 0.02381 -0.01322 -0.04695 0.39717 0.04762 78 4ZZ 0.15726 0.17088 -0.04351 0.10224 0.01049 79 4XY -0.08609 0.11650 0.01312 0.03645 -0.01816 80 4XZ -0.08438 -0.00791 0.03226 -0.15569 -0.03324 81 4YZ -0.12994 0.05649 0.06726 0.03110 0.01965 82 9 H 1S -0.02914 0.00000 -0.03793 -0.00045 -0.03850 83 2S -0.02220 -0.00017 -0.00258 -0.00067 -0.13432 84 10 C 1S -0.00005 0.03414 0.00436 0.00390 0.00344 85 2S -0.06328 0.63134 -0.15058 0.09887 -0.13644 86 2PX -0.05040 -0.00909 0.08908 -0.03731 0.19629 87 2PY -0.06102 0.00161 -0.08893 0.00090 -0.07020 88 2PZ -0.08106 0.14293 -0.10317 0.05416 -0.03972 89 3S -0.34281 -4.16076 -0.47997 -1.30255 -0.48587 90 3PX -0.08386 1.46241 -0.14773 0.99472 -0.17893 91 3PY 0.50196 -2.49263 0.52541 0.16810 0.59100 92 3PZ 0.27800 -2.11374 0.13795 -1.13868 0.31720 93 4XX -0.21146 0.12200 0.07577 -0.14199 0.17112 94 4YY 0.00859 -0.00988 0.00911 0.01630 -0.07034 95 4ZZ 0.16898 -0.11171 -0.07939 0.12372 -0.07549 96 4XY 0.03937 -0.01237 0.09491 0.01607 -0.42470 97 4XZ -0.00107 -0.00771 0.00390 0.04670 -0.09852 98 4YZ -0.03363 -0.02833 0.17977 -0.03337 -0.26623 99 11 C 1S -0.00105 -0.00065 -0.03044 -0.03131 -0.00596 100 2S 0.01650 -0.20683 -0.35117 -0.64330 0.04374 101 2PX -0.05080 0.19327 0.06842 0.11862 0.00958 102 2PY 0.07912 -0.06654 0.03640 -0.04170 0.03926 103 2PZ -0.00539 -0.09696 0.03679 0.03285 0.02624 104 3S -0.02451 2.13150 1.31096 2.41486 -0.17990 105 3PX 0.27500 -0.16810 0.12360 0.12914 0.23797 106 3PY -0.49710 1.88663 -0.32650 0.76049 -0.54240 107 3PZ -0.39019 0.68982 0.04373 -0.54751 -0.83878 108 4XX 0.14744 -0.02976 -0.03638 0.20743 0.05022 109 4YY -0.04523 0.07756 0.03829 -0.07447 0.00749 110 4ZZ -0.11601 -0.00356 -0.03310 -0.14430 -0.06478 111 4XY -0.01006 -0.03664 -0.25430 0.00161 -0.01551 112 4XZ -0.10680 0.01994 -0.18595 -0.00559 -0.01450 113 4YZ 0.10288 -0.14743 -0.08713 0.09018 -0.06523 114 12 C 1S -0.00878 0.01113 0.02554 -0.00783 -0.01518 115 2S -0.07644 0.10815 0.32075 -0.14319 -0.17824 116 2PX 0.11628 -0.14116 0.01876 -0.00563 0.05037 117 2PY 0.01556 -0.00939 0.01892 -0.03467 -0.04824 118 2PZ -0.02716 0.05462 0.00786 0.10731 -0.09728 119 3S 0.60800 -1.65648 -0.93078 -0.13774 0.98626 120 3PX -0.27247 0.75639 -0.15551 0.28998 -0.03554 121 3PY -0.14090 -0.05852 0.25733 -0.06305 -0.19524 122 3PZ -0.15618 0.73104 0.08210 0.12644 -0.26299 123 4XX -0.08200 0.09684 -0.15979 0.01176 0.03915 124 4YY -0.02741 0.00382 0.03132 -0.01707 0.05371 125 4ZZ 0.09977 -0.10376 0.15476 -0.01090 -0.09849 126 4XY 0.16083 -0.02475 0.28700 0.04699 0.05570 127 4XZ 0.09792 -0.01860 0.20155 0.06352 0.13123 128 4YZ 0.04300 -0.00991 0.06542 -0.02448 0.19144 129 13 C 1S -0.00878 -0.01125 0.02541 0.00819 -0.01520 130 2S -0.07676 -0.10872 0.31845 0.14843 -0.17899 131 2PX 0.11648 0.14130 0.02084 0.00551 0.05091 132 2PY -0.01529 -0.01026 -0.01871 -0.03516 0.04846 133 2PZ -0.02671 -0.05534 0.00874 -0.10793 -0.09690 134 3S 0.60405 1.66221 -0.91753 0.12477 0.99001 135 3PX -0.27279 -0.75788 -0.16447 -0.29174 -0.03994 136 3PY 0.13971 -0.05364 -0.25682 -0.06508 0.19479 137 3PZ -0.15477 -0.72975 0.07392 -0.12433 -0.26472 138 4XX -0.08150 -0.09600 -0.16016 -0.01325 0.03926 139 4YY -0.02741 -0.00446 0.03106 0.01771 0.05417 140 4ZZ 0.09927 0.10348 0.15530 0.01217 -0.09904 141 4XY -0.16109 -0.02339 -0.28835 0.04403 -0.05601 142 4XZ 0.09832 0.01753 0.20279 -0.06098 0.13149 143 4YZ -0.04310 -0.00988 -0.06543 -0.02625 -0.19122 144 14 C 1S -0.00103 0.00094 -0.03084 0.03097 -0.00615 145 2S 0.01604 0.21073 -0.35632 0.63932 0.04207 146 2PX -0.04962 -0.19498 0.06728 -0.11802 0.00930 147 2PY -0.07911 -0.06721 -0.03668 -0.04216 -0.03955 148 2PZ -0.00625 0.09610 0.03779 -0.03257 0.02655 149 3S -0.02097 -2.14228 1.31531 -2.39792 -0.17780 150 3PX 0.27298 0.16710 0.12897 -0.12704 0.23799 151 3PY 0.49288 1.88349 0.33773 0.76076 0.54809 152 3PZ -0.38532 -0.68686 0.03220 0.54829 -0.84092 153 4XX 0.14743 0.03090 -0.03415 -0.20777 0.05009 154 4YY -0.04463 -0.07798 0.03644 0.07431 0.00682 155 4ZZ -0.11644 0.00298 -0.03434 0.14449 -0.06437 156 4XY 0.01087 -0.03845 0.25386 0.00357 0.01522 157 4XZ -0.10691 -0.01911 -0.18639 0.00388 -0.01448 158 4YZ -0.10229 -0.14952 0.08426 0.09107 0.06482 159 15 C 1S 0.00003 -0.03419 0.00403 -0.00381 0.00334 160 2S -0.06212 -0.63034 -0.15649 -0.10006 -0.13859 161 2PX -0.05029 0.00750 0.08880 0.03864 0.19647 162 2PY 0.06079 0.00101 0.08891 0.00199 0.07049 163 2PZ -0.08090 -0.14274 -0.10447 -0.05546 -0.03990 164 3S -0.35250 4.16295 -0.44988 1.29348 -0.47566 165 3PX -0.08010 -1.45901 -0.15279 -0.99616 -0.18069 166 3PY -0.49348 -2.49378 -0.55538 0.15842 -0.59988 167 3PZ 0.27212 2.10951 0.14838 1.13987 0.32024 168 4XX -0.21103 -0.12465 0.07266 0.14322 0.16991 169 4YY 0.00840 0.01000 0.00970 -0.01637 -0.07034 170 4ZZ 0.16863 0.11386 -0.07698 -0.12458 -0.07429 171 4XY -0.03964 -0.01292 -0.09526 0.01636 0.42487 172 4XZ -0.00136 0.00807 0.00472 -0.04637 -0.09787 173 4YZ 0.03355 -0.02706 -0.17942 -0.03474 0.26598 174 16 H 1S 0.17106 -0.44213 0.09062 -0.12929 0.09541 175 2S 0.18748 -0.85235 0.23400 -0.34902 0.29542 176 17 H 1S -0.06514 0.25179 -0.19498 -0.00937 -0.13811 177 2S -0.22052 0.43302 -0.27088 0.00550 -0.19555 178 18 H 1S -0.01751 0.18215 0.06305 -0.03212 -0.07592 179 2S -0.28504 0.32666 0.16056 0.17445 -0.09854 180 19 H 1S -0.01753 -0.18252 0.06056 0.03280 -0.07685 181 2S -0.28401 -0.32949 0.15807 -0.17185 -0.09944 182 20 H 1S -0.06393 -0.24892 -0.19746 0.00770 -0.13912 183 2S -0.21952 -0.43018 -0.27548 -0.00800 -0.19728 184 21 H 1S 0.16962 0.44233 0.09427 0.13033 0.09643 185 2S 0.18489 0.85093 0.24029 0.35221 0.29737 186 22 H 1S -0.01858 -0.13128 0.14732 -0.17029 -0.01213 187 2S 0.07796 -0.20162 0.11982 -0.03189 -0.03520 188 23 H 1S -0.01897 0.13064 0.14775 0.17259 -0.01170 189 2S 0.07858 0.20066 0.12321 0.03286 -0.03396 126 127 128 129 130 V V V V V Eigenvalues -- 1.58529 1.63998 1.66107 1.72043 1.72342 1 1 C 1S 0.04039 -0.01162 -0.02972 0.00032 0.02816 2 2S 0.60338 -0.17942 -0.43846 -0.06823 0.23610 3 2PX 0.05226 -0.03007 -0.15242 -0.05008 0.06257 4 2PY 0.06572 0.02320 -0.05120 0.06844 0.02253 5 2PZ 0.00416 0.03314 -0.03689 -0.00733 0.05262 6 3S -1.94764 0.16580 1.51312 0.28667 -1.27829 7 3PX 0.02144 0.73204 0.44829 -0.16535 0.11146 8 3PY -0.80323 -0.35428 0.20390 -0.05038 -0.70224 9 3PZ -0.31396 -0.42057 -0.50350 0.12449 0.00571 10 4XX -0.13116 0.09431 -0.25038 0.00370 0.10759 11 4YY 0.01189 -0.00605 -0.00906 0.02791 -0.02844 12 4ZZ 0.14501 -0.11838 0.23983 -0.03029 -0.02919 13 4XY -0.13892 0.06823 -0.04785 0.04551 0.33921 14 4XZ 0.05060 0.04482 -0.06145 -0.05759 0.19801 15 4YZ -0.14705 0.01641 0.15503 -0.03969 0.13435 16 2 C 1S 0.04041 0.01133 0.02957 0.00036 0.02793 17 2S 0.60530 0.17597 0.43596 -0.06735 0.23446 18 2PX 0.05309 0.02966 0.15254 -0.04990 0.06272 19 2PY -0.06535 0.02322 -0.05177 -0.06855 -0.02123 20 2PZ 0.00394 -0.03334 0.03686 -0.00748 0.05339 21 3S -1.95572 -0.15340 -1.50945 0.28381 -1.26921 22 3PX 0.01874 -0.73225 -0.45030 -0.16523 0.11131 23 3PY 0.79874 -0.35973 0.20442 0.05087 0.69945 24 3PZ -0.31194 0.42148 0.50594 0.12529 0.00070 25 4XX -0.13183 -0.09443 0.25046 0.00380 0.10721 26 4YY 0.01124 0.00614 0.00838 0.02784 -0.02728 27 4ZZ 0.14620 0.11799 -0.23940 -0.03044 -0.03046 28 4XY 0.13928 0.06882 -0.04749 -0.04561 -0.33858 29 4XZ 0.05068 -0.04554 0.06136 -0.05761 0.19624 30 4YZ 0.14728 0.01656 0.15448 0.03982 -0.13493 31 3 C 1S -0.04133 0.00009 0.00009 -0.05864 -0.02125 32 2S -0.49554 0.00090 0.00093 -0.84687 -0.19665 33 2PX -0.01191 0.00002 0.00007 0.02793 0.06432 34 2PY 0.00026 -0.01591 -0.08181 0.00012 0.00051 35 2PZ -0.09204 0.00034 -0.00023 -0.07568 -0.13617 36 3S 2.24396 -0.00481 -0.00270 3.64326 1.56380 37 3PX 0.26800 -0.00092 -0.00040 0.60462 0.20157 38 3PY 0.00040 0.03191 -0.23352 0.00071 0.00092 39 3PZ -0.11181 -0.00057 0.00056 -0.76021 0.11864 40 4XX 0.02134 -0.00005 -0.00012 -0.00280 -0.11159 41 4YY 0.05038 -0.00015 0.00005 0.14358 0.22970 42 4ZZ -0.03713 0.00012 0.00011 -0.11903 -0.09353 43 4XY 0.00026 -0.03201 0.10541 0.00012 0.00006 44 4XZ 0.01875 -0.00040 0.00034 -0.19577 0.22866 45 4YZ 0.00027 -0.04281 0.13029 0.00029 0.00024 46 4 O 1S -0.00352 -0.02175 0.00015 0.05705 -0.00403 47 2S -0.06676 -0.45230 0.05898 0.82067 0.00238 48 2PX -0.13673 -0.07052 0.01638 -0.03122 -0.04620 49 2PY -0.08860 0.05034 -0.02740 -0.07976 -0.15040 50 2PZ 0.12587 0.05542 -0.10636 -0.02373 0.07627 51 3S 0.23603 1.23878 -0.04431 -2.75118 0.11452 52 3PX 0.73383 0.35825 -0.25345 0.20165 0.55322 53 3PY 0.42664 -0.15337 -0.05227 0.90074 0.47621 54 3PZ -0.60156 -0.22721 0.24522 -0.12639 -0.58411 55 4XX 0.00849 -0.20404 0.27269 0.14586 0.00105 56 4YY -0.08072 -0.11461 -0.10905 0.38209 -0.10470 57 4ZZ 0.02471 0.01798 -0.14082 0.03694 0.11338 58 4XY -0.01811 0.13329 -0.15279 -0.04043 0.14792 59 4XZ 0.05811 0.10963 0.01009 -0.24398 0.08456 60 4YZ -0.08770 0.15812 -0.29320 -0.07046 -0.05506 61 5 H 1S 0.16754 -0.00512 -0.34637 -0.04359 0.33642 62 2S 0.33026 -0.10444 -0.44319 0.02576 0.31297 63 6 H 1S 0.16798 0.00334 0.34722 -0.04315 0.33450 64 2S 0.33054 0.10254 0.44402 0.02679 0.30848 65 7 H 1S -0.18734 0.00060 0.00029 -0.12829 -0.17605 66 2S -0.33595 0.00105 -0.00002 -0.33489 -0.27006 67 8 O 1S -0.00353 0.02183 -0.00009 0.05701 -0.00401 68 2S -0.06712 0.45338 -0.05900 0.81971 0.00373 69 2PX -0.13692 0.07097 -0.01644 -0.03129 -0.04591 70 2PY 0.08811 0.04986 -0.02753 0.07955 0.15104 71 2PZ 0.12569 -0.05612 0.10632 -0.02342 0.07636 72 3S 0.23666 -1.24291 0.04321 -2.74885 0.11274 73 3PX 0.73388 -0.36186 0.25236 0.20242 0.55136 74 3PY -0.42436 -0.15208 -0.05211 -0.89997 -0.47555 75 3PZ -0.60156 0.23101 -0.24457 -0.12866 -0.58281 76 4XX 0.00902 0.20378 -0.27230 0.14517 0.00230 77 4YY -0.08110 0.11512 0.10945 0.38173 -0.10587 78 4ZZ 0.02437 -0.01753 0.14027 0.03741 0.11388 79 4XY 0.01828 0.13374 -0.15340 0.04039 -0.14804 80 4XZ 0.05817 -0.11029 -0.01012 -0.24367 0.08243 81 4YZ 0.08772 0.15793 -0.29312 0.07062 0.05571 82 9 H 1S -0.23764 0.00047 0.00028 -0.28607 -0.09489 83 2S -0.17552 0.00011 0.00030 -0.31667 -0.09933 84 10 C 1S 0.00885 -0.01623 -0.01322 0.00189 0.00718 85 2S 0.08423 -0.44134 -0.29833 0.04368 0.01859 86 2PX 0.01972 0.14526 0.08147 -0.00719 0.00753 87 2PY -0.03692 -0.02984 0.00638 0.10111 0.02932 88 2PZ -0.01436 -0.03076 -0.01765 -0.01902 -0.04831 89 3S -0.58752 1.82373 1.23594 0.06328 -0.30410 90 3PX 0.22797 -1.09109 -0.48851 0.07089 0.19729 91 3PY 0.24787 0.84976 0.67272 -0.29266 -0.08389 92 3PZ -0.11269 1.25785 0.61253 -0.09133 -0.08375 93 4XX -0.04420 0.24423 0.08673 -0.01900 -0.17713 94 4YY 0.03265 -0.01278 0.00067 -0.09005 0.00039 95 4ZZ 0.04256 -0.20707 -0.08523 0.12185 0.20114 96 4XY -0.07934 -0.01565 0.01723 0.12206 0.03089 97 4XZ -0.03913 0.06658 0.03818 0.04748 0.02477 98 4YZ 0.04087 0.09549 0.05272 0.01489 0.00579 99 11 C 1S -0.06584 -0.00860 -0.02089 -0.00391 -0.00646 100 2S -0.86212 -0.20984 -0.24295 0.00397 -0.14027 101 2PX 0.12219 0.04577 0.02968 -0.01782 -0.00254 102 2PY 0.03357 -0.05596 -0.01738 0.01683 -0.04979 103 2PZ 0.06076 0.11510 0.03258 0.09014 -0.03370 104 3S 2.89457 -0.71087 0.02288 0.22184 0.43971 105 3PX -0.56300 -0.17935 -0.19322 -0.07384 -0.04560 106 3PY -0.24537 -0.40242 -0.29851 0.31817 0.55761 107 3PZ 0.09318 -0.11894 -0.17481 0.12333 -0.12217 108 4XX 0.01399 -0.21269 -0.09813 0.05743 0.09037 109 4YY -0.05875 0.01268 -0.03542 -0.02426 -0.08393 110 4ZZ -0.01397 0.19986 0.09827 -0.01173 0.00709 111 4XY 0.13067 -0.18277 -0.08507 0.04378 0.02075 112 4XZ 0.08670 0.04647 -0.01109 0.09320 0.04438 113 4YZ 0.10342 -0.21189 -0.09645 -0.16229 0.01308 114 12 C 1S 0.02592 -0.00205 -0.01449 0.01487 0.00402 115 2S 0.33638 -0.04700 -0.26293 0.19403 0.07437 116 2PX -0.02958 0.06849 0.04866 -0.04063 0.00042 117 2PY -0.00512 -0.00583 0.01059 -0.07002 0.05018 118 2PZ 0.05331 0.03402 0.02577 -0.06451 -0.05582 119 3S -1.45095 0.35397 0.94906 -0.58725 -0.11100 120 3PX -0.02292 -0.40961 -0.21812 0.11454 -0.01550 121 3PY 0.48918 0.20860 0.30307 0.12652 -0.16949 122 3PZ 0.32362 -0.20250 -0.00169 0.25187 0.19085 123 4XX -0.03683 -0.00071 0.00053 -0.04708 0.08692 124 4YY 0.01513 0.02167 0.01090 0.20206 0.04920 125 4ZZ 0.03277 -0.01278 -0.01280 -0.13423 -0.14557 126 4XY -0.00087 -0.05657 -0.00543 0.04724 -0.05486 127 4XZ -0.12898 0.07542 0.04127 0.07541 0.04494 128 4YZ -0.21136 0.06662 0.06045 -0.10550 0.20662 129 13 C 1S 0.02589 0.00185 0.01449 0.01460 0.00508 130 2S 0.33586 0.04518 0.26345 0.19083 0.08809 131 2PX -0.02983 -0.06836 -0.04878 -0.04072 0.00021 132 2PY 0.00499 -0.00539 0.01052 0.06992 -0.04954 133 2PZ 0.05336 -0.03447 -0.02617 -0.06429 -0.05717 134 3S -1.44744 -0.34482 -0.94820 -0.57386 -0.15878 135 3PX -0.01920 0.41051 0.21846 0.11584 -0.01534 136 3PY -0.48967 0.21038 0.30356 -0.12903 0.17772 137 3PZ 0.32189 0.19995 0.00188 0.24959 0.19704 138 4XX -0.03730 0.00062 -0.00072 -0.04710 0.08720 139 4YY 0.01442 -0.02194 -0.01103 0.20180 0.04954 140 4ZZ 0.03393 0.01311 0.01310 -0.13409 -0.14575 141 4XY 0.00066 -0.05655 -0.00557 -0.04750 0.05494 142 4XZ -0.12926 -0.07478 -0.04107 0.07533 0.04366 143 4YZ 0.21138 0.06605 0.05989 0.10578 -0.20484 144 14 C 1S -0.06584 0.00903 0.02095 -0.00380 -0.00652 145 2S -0.86079 0.21509 0.24402 0.00502 -0.14077 146 2PX 0.12178 -0.04634 -0.02972 -0.01765 -0.00299 147 2PY -0.03416 -0.05605 -0.01752 -0.01701 0.04906 148 2PZ 0.06031 -0.11504 -0.03254 0.08993 -0.03240 149 3S 2.89445 0.69249 -0.02622 0.21390 0.44928 150 3PX -0.56241 0.18265 0.19452 -0.07372 -0.04963 151 3PY 0.24800 -0.39951 -0.29678 -0.31568 -0.55702 152 3PZ 0.09209 0.11732 0.17397 0.12132 -0.11757 153 4XX 0.01534 0.21326 0.09823 0.05742 0.09135 154 4YY -0.05887 -0.01205 0.03553 -0.02494 -0.08384 155 4ZZ -0.01544 -0.20074 -0.09864 -0.01109 0.00681 156 4XY -0.13146 -0.18176 -0.08497 -0.04381 -0.01979 157 4XZ 0.08581 -0.04673 0.01091 0.09273 0.04604 158 4YZ -0.10479 -0.21109 -0.09634 0.16251 -0.01410 159 15 C 1S 0.00886 0.01617 0.01320 0.00186 0.00707 160 2S 0.08512 0.44094 0.29789 0.04298 0.01827 161 2PX 0.01901 -0.14535 -0.08127 -0.00699 0.00690 162 2PY 0.03660 -0.03007 0.00641 -0.10128 -0.02915 163 2PZ -0.01442 0.03094 0.01754 -0.01923 -0.04795 164 3S -0.58713 -1.81932 -1.23544 0.06854 -0.29909 165 3PX 0.23135 1.08805 0.48687 0.06873 0.19527 166 3PY -0.24881 0.85319 0.67313 0.29149 0.08428 167 3PZ -0.11555 -1.25444 -0.61035 -0.08853 -0.08180 168 4XX -0.04575 -0.24349 -0.08643 -0.01880 -0.17780 169 4YY 0.03303 0.01207 -0.00104 -0.09014 0.00056 170 4ZZ 0.04362 0.20688 0.08535 0.12177 0.20201 171 4XY 0.07910 -0.01608 0.01739 -0.12215 -0.03082 172 4XZ -0.03938 -0.06692 -0.03834 0.04726 0.02544 173 4YZ -0.04043 0.09599 0.05285 -0.01523 -0.00572 174 16 H 1S -0.02184 0.27190 0.14196 -0.03459 -0.03767 175 2S 0.02030 0.52926 0.24238 -0.09467 -0.04044 176 17 H 1S -0.40013 0.01276 -0.04634 0.09596 0.09116 177 2S -0.42898 -0.12513 -0.12512 0.09061 0.24713 178 18 H 1S 0.10218 -0.11455 -0.05501 0.01443 0.05250 179 2S 0.14226 -0.01860 -0.21772 0.17183 -0.08488 180 19 H 1S 0.10240 0.11367 0.05506 0.01366 0.05623 181 2S 0.14309 0.01861 0.21797 0.17124 -0.08227 182 20 H 1S -0.40097 -0.01087 0.04643 0.09635 0.09012 183 2S -0.42954 0.12560 0.12462 0.09023 0.24590 184 21 H 1S -0.02255 -0.27133 -0.14163 -0.03434 -0.03727 185 2S 0.01913 -0.52873 -0.24165 -0.09406 -0.04001 186 22 H 1S 0.13115 0.04047 -0.04350 0.01034 0.03199 187 2S 0.13337 0.18476 0.02267 -0.03783 -0.05665 188 23 H 1S 0.13064 -0.04150 0.04361 0.00943 0.03565 189 2S 0.13269 -0.18538 -0.02301 -0.03860 -0.05422 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79420 1.86000 1.87776 1 1 C 1S 0.00431 0.00094 -0.01067 0.00721 0.01825 2 2S -0.02535 -0.01299 -0.11668 0.15408 0.34302 3 2PX -0.00511 0.01365 0.05858 0.03443 -0.09238 4 2PY 0.10186 0.04656 0.07235 -0.00404 0.01827 5 2PZ -0.09589 -0.03127 -0.02677 0.01805 0.19941 6 3S 0.56322 0.02067 -0.05915 -0.62418 -0.43256 7 3PX -0.66942 -0.11247 0.00121 0.02090 0.02028 8 3PY -0.83685 -0.08648 -0.39726 0.30324 -0.01939 9 3PZ 0.98569 0.07632 0.28538 -0.09351 -0.17699 10 4XX -0.00662 0.01901 0.05959 0.02019 -0.08657 11 4YY -0.01804 0.02059 -0.03287 -0.00587 0.11507 12 4ZZ 0.08118 -0.05437 -0.03534 -0.03286 -0.06607 13 4XY 0.10466 0.07368 0.16379 -0.04396 -0.20797 14 4XZ 0.09060 -0.07377 0.11058 0.00169 0.13951 15 4YZ -0.02680 -0.05045 -0.00504 -0.04281 0.26458 16 2 C 1S -0.00445 0.00094 -0.01067 -0.00721 0.01803 17 2S 0.02473 -0.01267 -0.11772 -0.15404 0.34116 18 2PX 0.00450 0.01376 0.05837 -0.03466 -0.09213 19 2PY 0.10168 -0.04666 -0.07248 -0.00382 -0.02340 20 2PZ 0.09568 -0.03158 -0.02703 -0.01816 0.19974 21 3S -0.55509 0.02145 -0.05242 0.62467 -0.44004 22 3PX 0.66855 -0.11410 -0.00246 -0.02008 0.01582 23 3PY -0.84050 0.08859 0.40070 0.30309 0.00279 24 3PZ -0.98786 0.07921 0.28905 0.09480 -0.19216 25 4XX 0.00569 0.01892 0.05992 -0.01959 -0.08708 26 4YY 0.01900 0.02049 -0.03285 0.00521 0.11476 27 4ZZ -0.08177 -0.05410 -0.03549 0.03338 -0.06586 28 4XY 0.10766 -0.07365 -0.16410 -0.04420 0.20100 29 4XZ -0.09209 -0.07367 0.11054 -0.00081 0.13477 30 4YZ -0.02532 0.05056 0.00501 -0.04252 -0.26242 31 3 C 1S -0.00004 -0.02976 0.01144 -0.00002 -0.03003 32 2S -0.00101 -0.45854 0.14929 0.00016 -0.28421 33 2PX -0.00051 -0.02924 0.09249 0.00032 -0.07294 34 2PY 0.10019 0.00007 -0.00019 -0.01881 -0.00086 35 2PZ 0.00059 -0.06267 -0.04586 -0.00007 0.02807 36 3S -0.00019 1.87749 0.00977 0.00115 0.93691 37 3PX 0.00060 0.31877 -0.12445 -0.00033 0.72033 38 3PY 0.19501 0.00036 -0.00050 0.01341 -0.00255 39 3PZ -0.00180 -0.47274 0.13227 -0.00024 0.04966 40 4XX 0.00075 0.03870 -0.15269 -0.00021 0.15381 41 4YY -0.00106 0.15492 0.19585 0.00023 -0.39619 42 4ZZ 0.00029 -0.17936 -0.04505 -0.00006 0.27173 43 4XY 0.09822 -0.00009 -0.00028 -0.03606 -0.00009 44 4XZ -0.00130 -0.05063 0.12547 0.00000 -0.20789 45 4YZ 0.00617 0.00038 0.00030 -0.06810 0.00047 46 4 O 1S 0.01612 0.02679 0.00073 -0.00052 0.00920 47 2S 0.12860 0.43376 0.07219 0.01587 0.12998 48 2PX -0.01702 -0.01189 0.05315 0.01845 -0.00167 49 2PY 0.04270 -0.02619 -0.06260 -0.00855 -0.04156 50 2PZ -0.02591 -0.01217 0.00886 0.00863 0.05892 51 3S -0.75321 -1.41906 -0.10548 0.04017 -0.41578 52 3PX -0.02189 0.14184 0.02492 0.00808 -0.09862 53 3PY 0.13037 0.46505 0.19501 -0.00489 0.16869 54 3PZ -0.02403 -0.09667 -0.16004 -0.01442 -0.09913 55 4XX -0.00934 0.05167 -0.01739 -0.02080 0.00806 56 4YY 0.16113 0.18245 -0.03426 0.01741 0.08004 57 4ZZ -0.01593 0.03295 0.09907 0.00409 0.01363 58 4XY -0.02436 -0.06683 0.12542 -0.00417 0.03078 59 4XZ 0.13582 -0.16430 -0.01400 -0.05718 0.07714 60 4YZ 0.05609 -0.10431 0.00205 -0.01785 0.15522 61 5 H 1S 0.17590 -0.04790 0.09524 0.00896 0.26500 62 2S 0.59983 0.10094 0.21611 -0.01291 -0.07842 63 6 H 1S -0.17866 -0.04748 0.09579 -0.00905 0.25652 64 2S -0.60242 0.10282 0.21767 0.01313 -0.08552 65 7 H 1S 0.00040 -0.00302 0.01384 -0.00011 -0.36257 66 2S 0.00078 -0.09478 -0.09030 -0.00007 -0.08643 67 8 O 1S -0.01598 0.02680 0.00084 0.00055 0.00956 68 2S -0.12651 0.43354 0.07418 -0.01494 0.12871 69 2PX 0.01738 -0.01195 0.05338 -0.01823 -0.00283 70 2PY 0.04151 0.02607 0.06291 -0.00827 0.03635 71 2PZ 0.02534 -0.01222 0.00899 -0.00860 0.05796 72 3S 0.74571 -1.41962 -0.11176 -0.04216 -0.41886 73 3PX 0.01818 0.14197 0.02390 -0.00797 -0.09529 74 3PY 0.13221 -0.46492 -0.19636 -0.00591 -0.16160 75 3PZ 0.02832 -0.09752 -0.16016 0.01390 -0.09655 76 4XX 0.00919 0.05151 -0.01719 0.02100 0.00637 77 4YY -0.15934 0.18218 -0.03347 -0.01710 0.09089 78 4ZZ 0.01546 0.03335 0.09941 -0.00409 0.00566 79 4XY -0.02238 0.06683 -0.12533 -0.00435 -0.02486 80 4XZ -0.13724 -0.16387 -0.01456 0.05725 0.08176 81 4YZ 0.05529 0.10444 -0.00229 -0.01792 -0.15836 82 9 H 1S -0.00032 -0.20696 0.07902 -0.00001 -0.03293 83 2S 0.00015 -0.13996 -0.06798 -0.00043 0.20141 84 10 C 1S 0.01120 0.00159 0.00062 -0.01337 0.01750 85 2S 0.12775 -0.04650 0.03938 0.04252 0.13332 86 2PX 0.01428 -0.02872 -0.06887 -0.03689 -0.03998 87 2PY 0.00423 -0.10432 -0.07997 0.10462 0.01458 88 2PZ -0.01975 0.05746 0.12898 0.06142 0.05675 89 3S -0.66168 0.03962 0.15078 1.13085 -0.50563 90 3PX 0.42059 0.01360 -0.38196 -0.36694 0.21091 91 3PY -0.18693 0.12173 0.48979 0.44232 0.04540 92 3PZ -0.38480 -0.04923 0.43171 0.50822 -0.15324 93 4XX -0.00108 -0.02468 0.17801 0.03256 0.00909 94 4YY -0.01868 0.17845 -0.02434 0.12601 0.01526 95 4ZZ -0.02575 -0.15698 -0.15877 -0.13240 0.04006 96 4XY 0.03982 -0.08718 -0.00685 0.05156 -0.00800 97 4XZ -0.11716 0.10994 0.22752 0.01494 0.28918 98 4YZ 0.01835 0.01934 -0.20088 0.00386 -0.00588 99 11 C 1S 0.02085 0.00892 0.01299 0.01186 -0.00037 100 2S 0.22013 -0.15030 0.42434 -0.02844 -0.08333 101 2PX 0.01597 0.10621 -0.05180 0.04966 0.09413 102 2PY -0.08049 -0.01596 0.17785 -0.05510 0.03037 103 2PZ -0.16292 -0.15994 0.08002 -0.02017 -0.01156 104 3S -1.44545 0.16687 -1.03757 -0.81235 0.31751 105 3PX 0.50915 -0.19402 -0.05006 -0.53063 -0.05297 106 3PY -0.00618 0.12594 -1.23875 -0.64709 0.40810 107 3PZ -0.64848 0.22941 -0.24910 -0.03813 -0.19174 108 4XX -0.03805 0.00124 0.03394 -0.00830 0.15811 109 4YY 0.00292 -0.04633 -0.07286 0.12203 -0.11955 110 4ZZ -0.01896 0.08894 0.02357 -0.11699 0.04301 111 4XY 0.13053 -0.12463 -0.15818 -0.36410 -0.14573 112 4XZ -0.14265 -0.03990 0.01999 -0.33728 0.15195 113 4YZ -0.03603 0.24408 -0.05991 0.09712 -0.01598 114 12 C 1S -0.12520 -0.00021 -0.00832 -0.00080 -0.00993 115 2S -1.56424 0.14310 -0.13991 -0.27188 -0.08775 116 2PX 0.02239 -0.05772 -0.02198 -0.12190 -0.03157 117 2PY 0.06173 0.22707 -0.09272 -0.00501 0.05424 118 2PZ 0.12599 0.09408 0.00628 0.05122 0.02310 119 3S 5.60670 -0.22987 0.61078 0.87426 0.30148 120 3PX -0.03059 0.14705 0.25481 1.41171 0.02734 121 3PY 0.91849 -0.25038 0.20105 0.29398 -0.22785 122 3PZ -0.81754 0.02812 -0.31719 -0.05460 0.08065 123 4XX -0.02145 0.10457 -0.10881 -0.23127 0.11888 124 4YY 0.02715 -0.31013 -0.03398 -0.03601 -0.07181 125 4ZZ -0.05373 0.19252 0.16241 0.28379 -0.03581 126 4XY 0.00568 -0.11420 0.01409 0.26272 0.02257 127 4XZ 0.08567 -0.09089 -0.10742 -0.01510 0.07030 128 4YZ 0.13133 0.16692 -0.36474 -0.03580 0.02268 129 13 C 1S 0.12516 -0.00049 -0.00860 0.00077 -0.00938 130 2S 1.56329 0.13983 -0.14326 0.27105 -0.08286 131 2PX -0.02248 -0.05744 -0.02227 0.12186 -0.03218 132 2PY 0.06232 -0.22730 0.09234 -0.00424 -0.05475 133 2PZ -0.12538 0.09398 0.00639 -0.05128 0.02284 134 3S -5.60330 -0.21888 0.62453 -0.87182 0.28627 135 3PX 0.03188 0.14669 0.25791 -1.41122 0.03129 136 3PY 0.91570 0.24793 -0.20233 0.29176 0.23177 137 3PZ 0.81668 0.02715 -0.31884 0.05384 0.08236 138 4XX 0.02025 0.10456 -0.10950 0.22984 0.11889 139 4YY -0.02809 -0.30947 -0.03481 0.03660 -0.07213 140 4ZZ 0.05603 0.19184 0.16383 -0.28306 -0.03560 141 4XY 0.00590 0.11475 -0.01458 0.26239 -0.02154 142 4XZ -0.08617 -0.09056 -0.10665 0.01405 0.06866 143 4YZ 0.13367 -0.16812 0.36357 -0.03376 -0.02400 144 14 C 1S -0.02080 0.00896 0.01310 -0.01183 -0.00017 145 2S -0.21902 -0.15002 0.42577 0.03065 -0.08174 146 2PX -0.01512 0.10639 -0.05170 -0.04982 0.09434 147 2PY -0.08192 0.01655 -0.17818 -0.05570 -0.03215 148 2PZ 0.16337 -0.16048 0.07948 0.02018 -0.01085 149 3S 1.44116 0.16596 -1.04543 0.80609 0.31163 150 3PX -0.50964 -0.19307 -0.05116 0.53088 -0.05613 151 3PY 0.00132 -0.12771 1.24151 -0.64056 -0.39997 152 3PZ 0.64755 0.22878 -0.24844 0.03681 -0.19222 153 4XX 0.03768 0.00094 0.03385 0.00855 0.15847 154 4YY -0.00232 -0.04516 -0.07307 -0.12210 -0.12260 155 4ZZ 0.01897 0.08806 0.02373 0.11644 0.04569 156 4XY 0.13160 0.12396 0.15913 -0.36454 0.14626 157 4XZ 0.14283 -0.03949 0.01901 0.33655 0.15199 158 4YZ -0.03596 -0.24419 0.06027 0.09689 0.01388 159 15 C 1S -0.01126 0.00164 0.00062 0.01329 0.01744 160 2S -0.12877 -0.04578 0.03922 -0.04283 0.13418 161 2PX -0.01447 -0.02882 -0.06880 0.03650 -0.04059 162 2PY 0.00509 0.10435 0.07928 0.10515 -0.01610 163 2PZ 0.02032 0.05760 0.12897 -0.06116 0.05701 164 3S 0.66406 0.03475 0.15359 -1.12732 -0.49739 165 3PX -0.42351 0.01615 -0.38311 0.36506 0.20772 166 3PY -0.19176 -0.11847 -0.49171 0.44251 -0.04810 167 3PZ 0.38712 -0.05267 0.43281 -0.50539 -0.14593 168 4XX 0.00281 -0.02491 0.17813 -0.03272 0.00791 169 4YY 0.01902 0.17841 -0.02474 -0.12611 0.01589 170 4ZZ 0.02358 -0.15695 -0.15855 0.13253 0.04073 171 4XY 0.04000 0.08675 0.00642 0.05169 0.00610 172 4XZ 0.11828 0.10967 0.22725 -0.01498 0.29047 173 4YZ 0.01855 -0.01876 0.20136 0.00336 0.00641 174 16 H 1S -0.12014 0.05723 0.39214 0.13915 0.12445 175 2S -0.17608 0.00083 0.22453 0.18646 -0.04359 176 17 H 1S 0.13408 0.06202 -0.09470 -0.13527 0.14668 177 2S 0.17610 -0.00746 -0.38257 -0.15365 0.13531 178 18 H 1S -0.43485 0.00318 -0.03718 0.28154 -0.05827 179 2S -0.33012 0.06416 0.15444 0.34575 -0.13547 180 19 H 1S 0.43461 0.00213 -0.03725 -0.28159 -0.05629 181 2S 0.33081 0.06361 0.15418 -0.34519 -0.13295 182 20 H 1S -0.13529 0.06216 -0.09409 0.13415 0.14801 183 2S -0.17992 -0.00681 -0.38274 0.15170 0.13179 184 21 H 1S 0.12191 0.05622 0.39262 -0.13898 0.12699 185 2S 0.17771 -0.00068 0.22518 -0.18574 -0.04160 186 22 H 1S -0.40266 -0.04055 -0.08396 -0.20789 -0.09742 187 2S -0.24792 -0.03861 -0.03870 -0.39215 -0.06859 188 23 H 1S 0.40193 -0.04144 -0.08523 0.20819 -0.09560 189 2S 0.24822 -0.03900 -0.04069 0.39242 -0.06923 136 137 138 139 140 V V V V V Eigenvalues -- 1.88533 1.90842 1.93559 1.95825 1.97651 1 1 C 1S -0.00819 0.01023 -0.00153 0.01408 -0.00145 2 2S -0.11939 0.03077 0.13178 0.13323 0.21457 3 2PX -0.01983 -0.08724 0.06986 0.06289 -0.12039 4 2PY 0.18635 -0.00092 0.00892 0.04410 0.02159 5 2PZ 0.02366 0.05448 -0.04902 0.02407 0.07502 6 3S -0.22693 0.09015 -0.24461 -0.61563 0.16814 7 3PX -0.07298 0.01482 -0.06567 0.08215 0.17643 8 3PY 0.80575 0.07754 0.03826 -0.01519 0.29338 9 3PZ -0.63266 0.06048 -0.24825 -0.35325 -0.34515 10 4XX 0.00574 0.04142 -0.13726 0.01622 -0.10831 11 4YY -0.04334 0.02427 0.08175 -0.04629 0.10686 12 4ZZ 0.03204 -0.02706 0.00666 -0.00834 -0.01259 13 4XY 0.27133 -0.03980 -0.00544 -0.03158 0.09261 14 4XZ -0.16864 0.17902 -0.14894 -0.05937 0.22232 15 4YZ -0.05360 0.13128 -0.22111 -0.02810 -0.22479 16 2 C 1S 0.00850 0.01009 -0.00129 -0.01407 -0.00141 17 2S 0.12552 0.02671 0.13780 -0.13327 0.21009 18 2PX 0.01777 -0.08800 0.07087 -0.06242 -0.11991 19 2PY 0.18479 0.00172 -0.00924 0.04360 -0.02315 20 2PZ -0.01863 0.05380 -0.04865 -0.02414 0.07343 21 3S 0.21826 0.11102 -0.26809 0.61341 0.17293 22 3PX 0.07242 0.01231 -0.06427 -0.08277 0.17815 23 3PY 0.80676 -0.06921 -0.04204 -0.01376 -0.29268 24 3PZ 0.63015 0.07127 -0.25289 0.35367 -0.34159 25 4XX -0.00924 0.04225 -0.13842 -0.01699 -0.10707 26 4YY 0.04753 0.02496 0.08083 0.04697 0.10442 27 4ZZ -0.03406 -0.02777 0.00795 0.00801 -0.01144 28 4XY 0.27629 0.03987 0.00675 -0.03144 -0.09508 29 4XZ 0.17196 0.18059 -0.14891 0.05851 0.22088 30 4YZ -0.05885 -0.13154 0.22193 -0.02817 0.22510 31 3 C 1S -0.00024 -0.01992 0.01312 0.00007 -0.02275 32 2S -0.00217 -0.21789 0.13190 0.00019 -0.06189 33 2PX -0.00083 -0.01865 -0.04904 -0.00010 0.00804 34 2PY 0.04617 -0.00024 0.00039 0.10100 -0.00262 35 2PZ 0.00046 -0.00152 -0.00203 0.00023 -0.03363 36 3S 0.00661 0.83024 -0.80759 -0.00176 0.47158 37 3PX 0.00742 0.40587 -0.51737 0.00078 -0.37589 38 3PY 0.19163 0.00023 -0.00002 -0.04602 0.00172 39 3PZ 0.00140 -0.04801 -0.11605 0.00112 -0.39610 40 4XX 0.00158 0.08990 0.10193 -0.00053 0.28110 41 4YY -0.00444 -0.16349 -0.01000 0.00021 -0.30414 42 4ZZ 0.00311 0.09557 -0.09594 0.00030 0.02600 43 4XY 0.05578 0.00016 -0.00023 -0.16954 0.00362 44 4XZ -0.00230 -0.10491 0.11044 -0.00029 0.07870 45 4YZ -0.10770 -0.00055 0.00044 0.09182 -0.00417 46 4 O 1S 0.01515 0.01034 -0.01783 -0.01368 -0.01430 47 2S -0.01679 0.26792 -0.24159 0.03162 0.28704 48 2PX -0.00852 0.05216 -0.06121 -0.03521 0.05884 49 2PY 0.21119 -0.03204 0.02547 -0.07753 -0.09129 50 2PZ -0.05470 -0.00198 -0.07244 0.09228 -0.13756 51 3S -0.17951 -0.75554 0.82531 0.28342 -0.27544 52 3PX 0.05307 -0.15065 0.20718 0.15322 0.06751 53 3PY -0.29631 0.18998 -0.27739 0.07082 0.02669 54 3PZ 0.14052 -0.01410 0.20902 -0.18122 0.27853 55 4XX -0.07841 0.05548 -0.05212 -0.00793 -0.03698 56 4YY 0.44230 0.11107 -0.10569 -0.08156 0.07394 57 4ZZ -0.29884 -0.01737 0.01166 0.03814 0.05463 58 4XY -0.24495 0.00625 -0.11459 -0.05675 -0.15768 59 4XZ 0.17212 0.00878 0.07680 -0.04347 0.21392 60 4YZ 0.12928 0.06858 -0.13238 0.02428 -0.12579 61 5 H 1S -0.36318 0.12135 -0.22704 0.01859 -0.25794 62 2S -0.35198 -0.04560 0.01551 -0.05827 -0.19331 63 6 H 1S 0.36917 0.12319 -0.22639 -0.01819 -0.25890 64 2S 0.35049 -0.04243 0.01606 0.05940 -0.19209 65 7 H 1S -0.00385 -0.16445 0.21641 -0.00013 0.02305 66 2S -0.00064 -0.10718 0.17348 -0.00032 0.12477 67 8 O 1S -0.01501 0.01048 -0.01799 0.01367 -0.01454 68 2S 0.01867 0.27144 -0.24522 -0.03305 0.29054 69 2PX 0.00864 0.05263 -0.06149 0.03529 0.05646 70 2PY 0.21209 0.03321 -0.02577 -0.07754 0.09445 71 2PZ 0.05625 -0.00179 -0.07266 -0.09216 -0.13489 72 3S 0.17346 -0.76685 0.83662 -0.28030 -0.27892 73 3PX -0.05611 -0.15396 0.21028 -0.15358 0.06968 74 3PY -0.29911 -0.19336 0.27905 0.07092 -0.02955 75 3PZ -0.14236 -0.01395 0.20839 0.18057 0.27496 76 4XX 0.07854 0.05607 -0.05277 0.00811 -0.03641 77 4YY -0.44163 0.11100 -0.10731 0.08101 0.07342 78 4ZZ 0.29981 -0.01605 0.01199 -0.03831 0.05571 79 4XY -0.24569 -0.00684 0.11362 -0.05778 0.16062 80 4XZ -0.17039 0.00749 0.07791 0.04300 0.21563 81 4YZ 0.12436 -0.06771 0.13188 0.02419 0.12255 82 9 H 1S 0.00010 -0.05459 -0.13304 0.00090 -0.38111 83 2S 0.00253 0.06041 -0.06771 0.00051 -0.19209 84 10 C 1S -0.00104 -0.01178 0.00812 -0.00048 0.00030 85 2S 0.06371 -0.33219 -0.05947 -0.08459 0.04753 86 2PX -0.03158 0.04519 -0.02083 0.05767 -0.01298 87 2PY 0.04240 -0.09978 -0.08263 0.17788 0.07852 88 2PZ 0.02427 0.00535 0.01643 -0.05943 0.00784 89 3S 0.13020 0.61444 -0.13949 0.17546 -0.20705 90 3PX -0.05282 -0.25573 0.13997 -0.34447 -0.05895 91 3PY 0.15287 0.10448 0.10947 -0.33977 -0.05189 92 3PZ 0.19094 0.21711 -0.02488 0.46706 0.09444 93 4XX -0.01871 -0.15600 -0.20952 -0.10426 0.10874 94 4YY 0.03044 0.21604 0.20222 0.01483 -0.12237 95 4ZZ 0.00204 -0.14538 0.00740 0.05803 -0.00006 96 4XY 0.03802 0.03303 -0.01496 0.09653 0.19745 97 4XZ 0.06640 -0.12680 0.14331 0.11734 -0.04736 98 4YZ -0.01205 -0.14853 -0.00690 -0.15019 -0.20453 99 11 C 1S 0.00091 0.00100 -0.00061 0.02231 0.00865 100 2S -0.06330 -0.07263 -0.00634 0.45013 -0.13908 101 2PX 0.02153 -0.03840 0.06503 -0.04117 -0.10357 102 2PY 0.06522 0.02142 0.06602 0.15559 -0.12404 103 2PZ 0.04852 -0.01929 0.02303 0.05157 0.06881 104 3S 0.27594 -0.15020 0.12190 -1.30996 -0.15012 105 3PX -0.18367 -0.20299 -0.21547 -0.07891 0.24054 106 3PY -0.20849 -0.34749 0.24331 0.17006 0.18015 107 3PZ 0.03133 0.25752 -0.17310 -0.13914 -0.15975 108 4XX 0.04023 -0.09769 0.18917 0.25822 -0.00270 109 4YY -0.10702 -0.03208 -0.08122 -0.40755 -0.00085 110 4ZZ 0.08230 0.07970 -0.04364 0.09305 -0.03635 111 4XY -0.05070 -0.01385 -0.29714 -0.13360 0.06828 112 4XZ 0.01533 -0.25174 0.00987 -0.11338 -0.09565 113 4YZ 0.07459 0.04776 -0.10500 -0.15532 -0.06219 114 12 C 1S 0.03167 0.03118 0.00551 -0.00094 -0.01520 115 2S 0.31260 -0.12363 -0.23994 0.14938 -0.04513 116 2PX -0.03038 -0.00938 0.06671 -0.02888 0.05559 117 2PY 0.00366 -0.08225 -0.11108 0.10607 0.05579 118 2PZ -0.01157 0.02299 0.01369 -0.08702 0.03174 119 3S -1.12098 -0.30026 0.18681 -0.13773 0.32403 120 3PX 0.19186 0.10242 0.10303 0.52066 -0.16830 121 3PY -0.21440 0.28989 0.05825 -0.60673 -0.18418 122 3PZ 0.17096 -0.03762 0.06010 0.36513 -0.12901 123 4XX -0.00879 -0.29038 -0.00258 0.07545 0.10349 124 4YY -0.02547 0.32117 0.22713 0.05238 -0.18787 125 4ZZ 0.03273 -0.02356 -0.18636 -0.15963 0.08928 126 4XY -0.01863 -0.13271 -0.24530 0.05111 -0.00758 127 4XZ -0.06041 -0.21283 0.09475 0.16672 0.05247 128 4YZ 0.00792 0.04203 -0.01599 0.30053 0.03099 129 13 C 1S -0.03198 0.03083 0.00555 0.00098 -0.01534 130 2S -0.31352 -0.12608 -0.24165 -0.14927 -0.04517 131 2PX 0.02948 -0.00905 0.06666 0.02862 0.05592 132 2PY 0.00186 0.08268 0.11071 0.10591 -0.05511 133 2PZ 0.01201 0.02281 0.01458 0.08733 0.03099 134 3S 1.12675 -0.29068 0.19212 0.13613 0.32731 135 3PX -0.19191 0.10207 0.10066 -0.51970 -0.16900 136 3PY -0.20771 -0.29388 -0.05719 -0.60665 0.17927 137 3PZ -0.16833 -0.03800 0.05561 -0.36472 -0.12769 138 4XX 0.01289 -0.29083 -0.00250 -0.07580 0.10302 139 4YY 0.02237 0.32163 0.22704 -0.05315 -0.18753 140 4ZZ -0.03346 -0.02354 -0.18620 0.16095 0.08949 141 4XY -0.02035 0.13123 0.24686 0.05135 0.00584 142 4XZ 0.06295 -0.21146 0.09389 -0.16565 0.05262 143 4YZ 0.00749 -0.04036 0.01583 0.30081 -0.02932 144 14 C 1S -0.00094 0.00079 -0.00033 -0.02246 0.00844 145 2S 0.06123 -0.07549 -0.00189 -0.45112 -0.14269 146 2PX -0.01930 -0.03802 0.06459 0.04135 -0.10323 147 2PY 0.06476 -0.02055 -0.06646 0.15527 0.12468 148 2PZ -0.04877 -0.01930 0.02224 -0.05129 0.06943 149 3S -0.26576 -0.14128 0.10643 1.31610 -0.14091 150 3PX 0.18370 -0.20360 -0.21366 0.07930 0.23861 151 3PY -0.22124 0.34536 -0.24045 0.16851 -0.17661 152 3PZ -0.03612 0.25636 -0.17211 0.13906 -0.16060 153 4XX -0.03598 -0.09739 0.18741 -0.25708 -0.00314 154 4YY 0.10371 -0.02975 -0.08248 0.40708 0.00219 155 4ZZ -0.08110 0.07740 -0.04124 -0.09350 -0.03828 156 4XY -0.04786 0.01432 0.29678 -0.13427 -0.06894 157 4XZ -0.01063 -0.25123 0.00989 0.11417 -0.09533 158 4YZ 0.07549 -0.04700 0.10329 -0.15386 0.06302 159 15 C 1S 0.00154 -0.01171 0.00805 0.00061 0.00030 160 2S -0.05875 -0.33207 -0.05902 0.08602 0.04615 161 2PX 0.03036 0.04519 -0.02123 -0.05808 -0.01262 162 2PY 0.04145 0.10093 0.08174 0.17725 -0.07709 163 2PZ -0.02292 0.00541 0.01682 0.05976 0.00749 164 3S -0.14549 0.60981 -0.13471 -0.18014 -0.20281 165 3PX 0.05932 -0.25289 0.13756 0.34631 -0.05869 166 3PY 0.15330 -0.10581 -0.10793 -0.33925 0.04771 167 3PZ -0.19584 0.21352 -0.02208 -0.46878 0.09386 168 4XX 0.01948 -0.15517 -0.21017 0.10487 0.11014 169 4YY -0.03094 0.21523 0.20259 -0.01477 -0.12375 170 4ZZ -0.00038 -0.14532 0.00762 -0.05834 0.00009 171 4XY 0.03818 -0.03225 0.01289 0.09666 -0.19575 172 4XZ -0.05869 -0.12790 0.14380 -0.11506 -0.04922 173 4YZ -0.01263 0.14888 0.00717 -0.15049 0.20362 174 16 H 1S 0.10419 0.10306 0.07297 0.19751 0.17455 175 2S 0.07022 0.01834 -0.02630 0.03612 0.02121 176 17 H 1S 0.00927 -0.00859 0.16343 0.51596 0.04453 177 2S -0.14882 -0.14798 0.07161 0.05854 0.06137 178 18 H 1S 0.12244 0.25429 0.17415 0.12603 -0.08059 179 2S 0.12974 -0.00124 -0.06347 -0.03124 -0.07920 180 19 H 1S -0.12492 0.25337 0.17320 -0.12572 -0.08086 181 2S -0.13263 -0.00196 -0.06398 0.03172 -0.07967 182 20 H 1S -0.00541 -0.01086 0.16515 -0.51578 0.04021 183 2S 0.15314 -0.14772 0.07211 -0.05849 0.06025 184 21 H 1S -0.10163 0.10186 0.07370 -0.19664 0.17307 185 2S -0.07165 0.01783 -0.02603 -0.03628 0.02184 186 22 H 1S 0.08906 0.22428 -0.12197 -0.12753 -0.08396 187 2S -0.01394 -0.03385 -0.02142 -0.28885 0.07743 188 23 H 1S -0.09192 0.22303 -0.12122 0.12691 -0.08429 189 2S 0.01243 -0.03389 -0.02078 0.28847 0.07808 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98103 2.00055 2.01937 2.04156 1 1 C 1S -0.01317 -0.01673 0.00865 0.00492 0.00215 2 2S -0.43571 -0.27564 -0.04173 0.16379 0.30737 3 2PX -0.00968 -0.12658 0.12108 0.04869 0.03446 4 2PY 0.05026 -0.03897 0.09390 -0.20024 -0.19580 5 2PZ -0.08609 0.01967 -0.04826 0.05616 -0.01726 6 3S 1.15769 1.16109 -0.53278 -0.21126 -0.07676 7 3PX 0.05090 0.25837 -0.27897 -0.15468 -0.01931 8 3PY -0.20484 0.00599 -0.39430 0.09815 0.43570 9 3PZ 0.30507 0.17252 0.07195 0.09037 -0.23485 10 4XX 0.08714 0.08138 -0.09530 0.33075 0.02782 11 4YY -0.07675 0.05439 0.18145 -0.35665 -0.29901 12 4ZZ -0.00933 -0.07462 -0.14861 0.05714 0.28442 13 4XY 0.12976 0.00591 -0.07296 -0.12416 0.02173 14 4XZ -0.08317 0.09521 -0.23319 -0.06564 -0.17940 15 4YZ 0.01854 0.02462 0.11113 0.25439 -0.18369 16 2 C 1S 0.01318 0.01668 0.00834 0.00488 0.00225 17 2S 0.43661 0.27219 -0.04643 0.16489 0.30924 18 2PX 0.00788 0.12739 0.12038 0.04863 0.03448 19 2PY 0.04855 -0.03944 -0.09394 0.20082 0.19571 20 2PZ 0.08717 -0.02063 -0.04873 0.05686 -0.01646 21 3S -1.15397 -1.15932 -0.51827 -0.20687 -0.08758 22 3PX -0.04857 -0.25958 -0.27597 -0.15791 -0.01387 23 3PY -0.20688 0.00851 0.39423 -0.09283 -0.44023 24 3PZ -0.30934 -0.16929 0.07112 0.09314 -0.23918 25 4XX -0.08999 -0.08135 -0.09447 0.32997 0.02774 26 4YY 0.08049 -0.05400 0.18170 -0.35533 -0.29990 27 4ZZ 0.00817 0.07418 -0.14965 0.05673 0.28506 28 4XY 0.12811 0.00593 0.07198 0.12514 -0.02075 29 4XZ 0.08682 -0.09675 -0.23415 -0.06446 -0.17920 30 4YZ 0.02102 0.02274 -0.11094 -0.25552 0.18268 31 3 C 1S -0.00005 0.00013 0.03156 -0.02231 -0.03149 32 2S -0.00058 0.00034 0.08937 0.02849 -0.02711 33 2PX -0.00023 -0.00001 -0.09467 0.04566 0.12536 34 2PY 0.29515 -0.17706 -0.00044 0.00037 0.00029 35 2PZ 0.00057 0.00028 0.03837 -0.15601 -0.01722 36 3S 0.00048 -0.00351 -0.97432 0.81966 0.86698 37 3PX -0.00033 0.00277 -0.03298 -0.54409 0.39763 38 3PY -0.16801 0.13897 0.00014 0.00013 -0.00044 39 3PZ -0.00143 0.00287 0.15119 -0.47403 0.46197 40 4XX 0.00116 -0.00194 -0.04332 0.31223 -0.24908 41 4YY -0.00264 0.00201 0.15816 -0.06831 -0.06610 42 4ZZ 0.00140 -0.00024 -0.12908 -0.19966 0.34019 43 4XY -0.39482 0.32111 0.00056 -0.00054 -0.00049 44 4XZ -0.00079 -0.00027 -0.11009 0.11679 0.35820 45 4YZ 0.41403 -0.29888 -0.00019 0.00045 -0.00025 46 4 O 1S -0.00921 0.01997 -0.00314 0.02231 0.00287 47 2S 0.28825 0.06924 -0.40036 0.05162 0.17586 48 2PX -0.11782 0.16852 -0.06290 -0.24744 -0.05518 49 2PY -0.16688 0.14783 0.06932 -0.00219 -0.03548 50 2PZ 0.14091 -0.08909 0.01784 0.08272 0.12261 51 3S -0.50293 -0.48051 0.83621 -0.45716 -0.38512 52 3PX 0.01713 -0.37295 0.07138 0.42622 0.07630 53 3PY 0.19430 -0.08772 -0.17937 0.20253 0.08933 54 3PZ -0.14114 0.15253 0.01008 -0.01436 -0.29238 55 4XX 0.05342 -0.08479 0.01650 -0.09524 0.10475 56 4YY 0.00469 0.19259 -0.13338 -0.01264 0.09050 57 4ZZ 0.04009 -0.03458 -0.04824 0.18337 -0.14681 58 4XY -0.19223 0.04003 0.06363 -0.26943 0.02619 59 4XZ 0.04144 -0.11463 -0.08626 -0.02855 0.01759 60 4YZ 0.14760 -0.09288 -0.06462 -0.06527 0.22783 61 5 H 1S -0.09659 -0.07549 0.16624 0.28076 -0.27897 62 2S 0.04921 -0.06964 0.21100 -0.03643 -0.09248 63 6 H 1S 0.09396 0.07699 0.16365 0.28242 -0.27923 64 2S -0.05162 0.07124 0.20962 -0.03485 -0.09378 65 7 H 1S -0.00022 -0.00053 0.21927 0.19833 -0.60079 66 2S 0.00060 -0.00073 0.00902 0.03189 -0.13668 67 8 O 1S 0.00897 -0.01991 -0.00312 0.02235 0.00277 68 2S -0.28517 -0.07139 -0.39914 0.05218 0.17450 69 2PX 0.11981 -0.16797 -0.06304 -0.24723 -0.05488 70 2PY -0.16544 0.14683 -0.06948 0.00247 0.03496 71 2PZ -0.14318 0.09024 0.01825 0.08239 0.12276 72 3S 0.50123 0.48293 0.83332 -0.45981 -0.37909 73 3PX -0.01924 0.37012 0.07028 0.42581 0.07699 74 3PY 0.19448 -0.08658 0.17957 -0.20430 -0.08738 75 3PZ 0.14508 -0.15499 0.01040 -0.01415 -0.29363 76 4XX -0.05322 0.08568 0.01649 -0.09469 0.10394 77 4YY -0.00418 -0.19267 -0.13252 -0.01385 0.09080 78 4ZZ -0.03989 0.03289 -0.04865 0.18422 -0.14727 79 4XY -0.19196 0.03731 -0.06201 0.26792 -0.02640 80 4XZ -0.03943 0.11274 -0.08656 -0.02815 0.01759 81 4YZ 0.14869 -0.09486 0.06404 0.06574 -0.22735 82 9 H 1S -0.00082 0.00269 0.16964 -0.50499 0.10621 83 2S -0.00030 0.00132 0.13290 -0.24571 0.04484 84 10 C 1S 0.00029 0.00209 0.01314 -0.00287 0.01248 85 2S -0.16698 -0.20993 0.04951 -0.06185 0.08338 86 2PX 0.04664 0.07262 0.00637 0.02327 -0.00587 87 2PY -0.09881 -0.07494 0.11760 0.01861 0.06568 88 2PZ -0.04728 -0.07100 0.05128 0.02834 0.03898 89 3S 0.33969 0.16321 -0.66118 0.06563 -0.45624 90 3PX 0.01742 0.05707 0.13840 -0.11282 0.18190 91 3PY 0.37028 0.35500 -0.05561 0.05370 -0.10297 92 3PZ 0.00256 -0.00161 -0.09506 0.08193 -0.20421 93 4XX 0.05336 0.02257 0.08268 0.06085 0.03509 94 4YY -0.06063 -0.07569 -0.10507 -0.08444 -0.02057 95 4ZZ 0.01045 0.04621 0.04944 0.04601 0.01017 96 4XY -0.10600 -0.11630 0.24390 0.02776 0.08038 97 4XZ -0.10201 -0.07925 0.08741 -0.00295 0.14135 98 4YZ 0.01341 -0.05203 -0.32306 -0.08093 -0.12318 99 11 C 1S -0.02216 -0.02595 -0.01426 -0.00225 -0.00015 100 2S -0.24610 -0.16326 -0.71111 0.00387 -0.31330 101 2PX 0.02916 -0.00239 -0.05424 -0.04532 0.01671 102 2PY -0.04338 0.00756 -0.15641 -0.01460 -0.08960 103 2PZ 0.06727 0.13079 0.08152 0.04386 -0.02957 104 3S 0.71014 0.77392 1.44487 -0.11527 0.58235 105 3PX -0.14505 -0.12467 0.01450 0.00376 0.12350 106 3PY -0.17555 0.01934 0.63605 -0.18120 0.64322 107 3PZ -0.23314 -0.47720 -0.12306 -0.17999 0.01761 108 4XX 0.02310 0.15877 0.02068 -0.03418 0.00171 109 4YY 0.19601 0.07403 -0.15670 0.05951 -0.07055 110 4ZZ -0.19904 -0.23566 0.14333 -0.05542 0.11707 111 4XY 0.04075 -0.02361 0.10266 -0.07687 -0.00350 112 4XZ 0.01548 0.02090 -0.03518 -0.07351 0.00917 113 4YZ -0.14506 -0.26581 -0.04932 -0.06726 -0.00878 114 12 C 1S -0.01805 -0.02094 0.01887 -0.00584 0.00656 115 2S 0.03374 0.17914 0.09963 -0.02016 -0.13175 116 2PX 0.02032 0.00562 -0.00938 0.03795 -0.01750 117 2PY -0.03291 -0.02562 0.06337 -0.02093 0.02116 118 2PZ -0.08497 -0.14560 0.05809 -0.00246 0.07448 119 3S 0.33484 0.09074 -0.61379 0.16397 -0.07723 120 3PX 0.13033 0.39363 -0.03589 0.06261 -0.12530 121 3PY 0.28546 0.07831 -0.01356 0.01521 -0.08655 122 3PZ 0.17466 0.39988 0.17024 -0.07373 0.00251 123 4XX -0.01394 0.06619 -0.03436 0.02159 -0.05640 124 4YY 0.04811 0.07006 -0.00865 -0.03782 0.05043 125 4ZZ -0.04209 -0.16772 0.07120 0.01556 0.03209 126 4XY 0.18308 0.21533 -0.05332 -0.10268 0.03642 127 4XZ 0.09239 0.20540 -0.01286 0.03233 -0.00594 128 4YZ -0.08341 0.01059 0.10375 -0.04284 0.13137 129 13 C 1S 0.01802 0.02125 0.01864 -0.00577 0.00653 130 2S -0.03362 -0.17863 0.10280 -0.02204 -0.13011 131 2PX -0.01989 -0.00622 -0.00898 0.03793 -0.01759 132 2PY -0.03462 -0.02607 -0.06316 0.02084 -0.02113 133 2PZ 0.08586 0.14598 0.05589 -0.00122 0.07352 134 3S -0.33488 -0.09762 -0.61323 0.16360 -0.07765 135 3PX -0.13340 -0.39300 -0.03303 0.05904 -0.12193 136 3PY 0.28831 0.07710 0.01246 -0.01465 0.08602 137 3PZ -0.17597 -0.39912 0.17544 -0.07669 0.00507 138 4XX 0.01349 -0.06975 -0.03323 0.02136 -0.05611 139 4YY -0.05051 -0.06849 -0.00722 -0.03837 0.05110 140 4ZZ 0.04511 0.16987 0.06822 0.01656 0.03099 141 4XY 0.18286 0.21551 0.05060 0.10412 -0.03745 142 4XZ -0.09300 -0.20686 -0.01019 0.03140 -0.00540 143 4YZ -0.08569 0.00870 -0.10415 0.04293 -0.13132 144 14 C 1S 0.02236 0.02602 -0.01463 -0.00216 -0.00018 145 2S 0.23904 0.15914 -0.71269 0.00367 -0.31254 146 2PX -0.03137 0.00216 -0.05474 -0.04531 0.01641 147 2PY -0.03966 0.00895 0.15594 0.01477 0.08939 148 2PZ -0.06618 -0.13120 0.08361 0.04297 -0.02888 149 3S -0.70667 -0.76859 1.45295 -0.11483 0.58073 150 3PX 0.14980 0.12484 0.01404 0.00542 0.12242 151 3PY -0.18168 0.01663 -0.63382 0.17801 -0.64043 152 3PZ 0.23168 0.48016 -0.13053 -0.17700 0.01516 153 4XX -0.02429 -0.15992 0.02203 -0.03493 0.00201 154 4YY -0.19641 -0.07415 -0.15568 0.05889 -0.06992 155 4ZZ 0.19980 0.23692 0.14073 -0.05385 0.11605 156 4XY 0.03741 -0.02578 -0.10321 0.07692 0.00372 157 4XZ -0.01757 -0.02133 -0.03515 -0.07350 0.00906 158 4YZ -0.14550 -0.26720 0.05243 0.06588 0.00960 159 15 C 1S -0.00027 -0.00208 0.01314 -0.00285 0.01244 160 2S 0.16797 0.21005 0.04491 -0.05952 0.08175 161 2PX -0.04679 -0.07257 0.00792 0.02275 -0.00552 162 2PY -0.10114 -0.07587 -0.11636 -0.01919 -0.06546 163 2PZ 0.04762 0.07125 0.04981 0.02888 0.03857 164 3S -0.34462 -0.16368 -0.65278 0.05788 -0.44962 165 3PX -0.01890 -0.05771 0.13725 -0.11064 0.18019 166 3PY 0.37248 0.35631 0.04889 -0.05000 0.10134 167 3PZ -0.00060 0.00161 -0.09262 0.07869 -0.20183 168 4XX -0.05039 -0.02143 0.08322 0.06097 0.03495 169 4YY 0.05742 0.07498 -0.10770 -0.08408 -0.02134 170 4ZZ -0.01059 -0.04681 0.05151 0.04541 0.01112 171 4XY -0.11140 -0.11782 -0.24237 -0.02826 -0.08003 172 4XZ 0.10057 0.07896 0.08543 -0.00265 0.14074 173 4YZ 0.01958 -0.04975 0.32327 0.08048 0.12351 174 16 H 1S -0.09325 -0.05792 0.30317 0.06078 0.13021 175 2S 0.06126 0.04394 -0.08000 0.02813 -0.10709 176 17 H 1S -0.26625 -0.11531 0.07399 -0.05782 0.14448 177 2S -0.08828 -0.06334 0.06791 -0.07721 0.16319 178 18 H 1S -0.00145 0.01335 0.10631 0.03117 0.01842 179 2S -0.01180 0.11489 0.02913 0.04814 -0.10410 180 19 H 1S 0.00112 -0.01145 0.10602 0.03074 0.01870 181 2S 0.01085 -0.11395 0.02968 0.04742 -0.10298 182 20 H 1S 0.26726 0.11562 0.07186 -0.05672 0.14367 183 2S 0.08953 0.06328 0.06669 -0.07611 0.16239 184 21 H 1S 0.09796 0.05934 0.30224 0.06095 0.12992 185 2S -0.06151 -0.04464 -0.07857 0.02685 -0.10643 186 22 H 1S -0.08561 -0.16767 0.05811 -0.09016 0.07405 187 2S -0.02064 -0.12281 0.03689 0.02452 0.02219 188 23 H 1S 0.08643 0.17027 0.05656 -0.08927 0.07342 189 2S 0.02193 0.12250 0.03594 0.02563 0.02113 146 147 148 149 150 V V V V V Eigenvalues -- 2.08888 2.12024 2.14080 2.16027 2.23008 1 1 C 1S 0.00258 -0.00058 -0.00355 0.02927 -0.00936 2 2S 0.02867 -0.33185 -0.22559 0.49977 -0.01406 3 2PX 0.07154 -0.14996 -0.01885 -0.01349 -0.02874 4 2PY 0.00551 0.00707 0.11537 -0.20757 -0.06961 5 2PZ -0.04605 -0.02233 -0.03337 0.07215 0.00145 6 3S -0.17828 1.23479 0.06601 -0.52625 0.67772 7 3PX -0.23737 0.15776 -0.08123 0.35493 -0.19425 8 3PY -0.15548 -0.12727 -0.30395 0.47237 -0.42398 9 3PZ 0.20313 0.63354 0.19953 -0.41024 0.27057 10 4XX 0.01417 0.06148 -0.04972 -0.15261 -0.09910 11 4YY -0.04356 -0.01630 0.10271 -0.22291 0.06313 12 4ZZ 0.02230 0.09847 -0.03535 0.42229 0.03452 13 4XY -0.05153 0.05843 -0.05418 0.03105 0.19548 14 4XZ -0.02469 0.41863 -0.01104 0.16766 -0.07781 15 4YZ 0.04545 0.00714 0.01937 -0.00860 0.34185 16 2 C 1S 0.00266 0.00042 -0.00375 0.02936 0.00924 17 2S 0.03106 0.33165 -0.22689 0.49935 0.01118 18 2PX 0.07192 0.14962 -0.01828 -0.01347 0.02876 19 2PY -0.00536 0.00834 -0.11507 0.20739 -0.07051 20 2PZ -0.04576 0.02259 -0.03374 0.07250 -0.00180 21 3S -0.18718 -1.22886 0.07533 -0.52761 -0.67403 22 3PX -0.23760 -0.15508 -0.08384 0.35699 0.19351 23 3PY 0.15308 -0.13096 0.30851 -0.47226 -0.42214 24 3PZ 0.19975 -0.63363 0.20231 -0.40995 -0.26859 25 4XX 0.01348 -0.06075 -0.04955 -0.15235 0.09867 26 4YY -0.04337 0.01440 0.10287 -0.22301 -0.06353 27 4ZZ 0.02234 -0.09715 -0.03606 0.42250 -0.03358 28 4XY 0.05177 0.05811 0.05410 -0.03061 0.19483 29 4XZ -0.02504 -0.41707 -0.01258 0.16861 0.07765 30 4YZ -0.04534 0.00696 -0.01936 0.00807 0.34060 31 3 C 1S 0.00182 -0.00002 0.00349 -0.02379 0.00004 32 2S -0.06296 0.00021 -0.11990 -0.54492 0.00062 33 2PX -0.01963 0.00026 -0.08076 -0.08790 0.00005 34 2PY 0.00009 0.09737 0.00005 -0.00011 0.02682 35 2PZ 0.00600 0.00006 0.03129 0.05950 0.00000 36 3S 0.19833 -0.00050 0.19625 0.89059 -0.00103 37 3PX 0.36915 -0.00222 0.56946 0.79266 -0.00118 38 3PY -0.00021 -0.07224 -0.00051 0.00067 0.03451 39 3PZ 0.29258 -0.00228 0.40613 -0.46953 0.00047 40 4XX -0.07065 -0.00005 -0.01321 -0.36958 -0.00027 41 4YY 0.05368 0.00012 -0.04605 0.32835 -0.00086 42 4ZZ 0.04961 -0.00020 0.10241 0.04527 0.00115 43 4XY 0.00003 -0.05180 -0.00031 0.00089 0.49474 44 4XZ 0.07219 -0.00073 0.17840 -0.59142 0.00150 45 4YZ 0.00003 0.11395 0.00010 0.00026 0.43057 46 4 O 1S 0.00840 -0.00358 0.00118 0.01026 0.00639 47 2S 0.02755 0.40734 0.09733 -0.16473 0.09768 48 2PX -0.02080 0.12349 0.01902 0.10019 0.04275 49 2PY -0.00418 -0.11646 -0.03748 0.13045 -0.01745 50 2PZ 0.04376 -0.05975 0.05878 -0.07370 0.06383 51 3S -0.26135 -0.82617 -0.30375 0.11164 -0.36546 52 3PX -0.03786 -0.33807 -0.15683 0.05168 -0.24645 53 3PY 0.11372 0.20377 0.14593 -0.09974 0.13497 54 3PZ -0.12537 0.09510 -0.17308 -0.12461 -0.17419 55 4XX 0.13450 0.00253 0.09065 -0.21677 0.11123 56 4YY 0.02532 0.08766 0.06098 0.01709 0.00462 57 4ZZ -0.12129 0.04505 -0.11891 0.19806 -0.08462 58 4XY 0.09765 -0.02276 0.15985 0.00498 0.29755 59 4XZ -0.04811 0.06932 -0.03817 -0.05673 -0.05801 60 4YZ 0.09341 0.01337 0.10233 -0.01194 0.24751 61 5 H 1S 0.09729 0.04005 0.07755 -0.13504 0.14510 62 2S 0.15469 0.04219 0.09020 -0.18524 0.08851 63 6 H 1S 0.09728 -0.04124 0.07779 -0.13450 -0.14429 64 2S 0.15423 -0.04386 0.09121 -0.18536 -0.08809 65 7 H 1S -0.18753 0.00127 -0.31843 0.05208 -0.00034 66 2S -0.11885 0.00071 -0.06776 0.04156 0.00023 67 8 O 1S 0.00834 0.00358 0.00128 0.01023 -0.00641 68 2S 0.02638 -0.40710 0.09677 -0.16464 -0.09662 69 2PX -0.02111 -0.12320 0.01849 0.10025 -0.04285 70 2PY 0.00417 -0.11698 0.03701 -0.13002 -0.01697 71 2PZ 0.04374 0.05890 0.05920 -0.07398 -0.06363 72 3S -0.25726 0.82567 -0.30558 0.11245 0.36331 73 3PX -0.03620 0.33786 -0.15670 0.05169 0.24550 74 3PY -0.11310 0.20531 -0.14605 0.10000 0.13425 75 3PZ -0.12578 -0.09308 -0.17339 -0.12469 0.17447 76 4XX 0.13465 -0.00447 0.09073 -0.21719 -0.11286 77 4YY 0.02489 -0.08758 0.06110 0.01709 -0.00474 78 4ZZ -0.12152 -0.04315 -0.11910 0.19855 0.08652 79 4XY -0.09787 -0.02139 -0.15994 -0.00464 0.29773 80 4XZ -0.04800 -0.06930 -0.03932 -0.05654 0.05799 81 4YZ -0.09303 0.01381 -0.10177 0.01159 0.24721 82 9 H 1S 0.11019 -0.00039 0.08843 0.37321 -0.00034 83 2S 0.14949 -0.00118 0.26596 0.05104 -0.00023 84 10 C 1S -0.02415 0.00762 -0.00697 0.00309 -0.00496 85 2S -0.50664 0.37162 0.10839 0.03786 0.03625 86 2PX 0.05213 -0.14153 -0.00842 -0.00334 0.00802 87 2PY -0.16458 0.05225 0.06223 0.02735 0.07327 88 2PZ -0.06290 0.11542 0.02191 0.00751 -0.03318 89 3S 0.60827 -0.94673 0.35563 -0.09040 -0.28815 90 3PX -0.35925 0.37194 -0.04638 0.05216 -0.09260 91 3PY 0.22460 -0.32630 -0.19055 -0.08947 -0.22313 92 3PZ 0.36767 -0.32228 0.14824 0.00055 -0.13568 93 4XX -0.07858 0.04243 -0.05263 -0.01374 0.10019 94 4YY 0.24088 0.11431 -0.18192 -0.03660 0.03292 95 4ZZ -0.22850 -0.11465 0.25517 0.06692 -0.18424 96 4XY 0.17165 -0.08385 -0.04917 0.05195 -0.09605 97 4XZ -0.21364 0.18757 -0.15426 -0.01383 -0.06103 98 4YZ -0.07703 -0.07986 -0.00230 -0.06105 -0.18807 99 11 C 1S -0.00638 -0.00550 0.00636 0.00595 0.00037 100 2S -0.02847 -0.18424 -0.02697 -0.13076 -0.16824 101 2PX -0.11275 0.10366 0.02682 0.00507 -0.01185 102 2PY 0.01506 0.04342 -0.03249 -0.07850 -0.03852 103 2PZ 0.21715 -0.01092 -0.02864 -0.00470 -0.02014 104 3S -0.12948 0.68815 -0.21108 -0.00548 0.26024 105 3PX -0.16431 -0.41858 -0.44565 -0.05030 0.04410 106 3PY -0.18256 0.14751 -0.36143 0.25614 0.29814 107 3PZ -0.09408 -0.06852 -0.07626 -0.06358 0.18550 108 4XX 0.19767 0.22923 -0.08113 0.02929 0.14410 109 4YY -0.02399 -0.09788 0.17658 0.06553 -0.14420 110 4ZZ -0.20333 -0.06092 -0.12757 -0.07121 0.00826 111 4XY -0.04174 -0.27259 -0.16358 -0.11450 0.07033 112 4XZ -0.10165 0.19377 -0.08311 -0.06201 -0.02314 113 4YZ -0.09038 0.06911 -0.09267 -0.05952 0.00290 114 12 C 1S -0.00789 -0.01014 -0.01565 -0.01189 0.00444 115 2S 0.42714 -0.26178 0.19427 -0.04688 0.11266 116 2PX 0.01441 -0.00894 0.02609 0.02383 -0.03446 117 2PY 0.12073 -0.03465 0.08252 0.03295 0.02768 118 2PZ -0.09756 0.05375 -0.09507 0.00062 -0.00954 119 3S -0.16526 0.44474 0.13248 0.23667 -0.51238 120 3PX -0.06124 0.09027 0.57334 0.00557 0.04655 121 3PY -0.21700 0.15949 -0.09634 -0.15111 -0.11265 122 3PZ 0.33253 -0.00139 0.17789 0.01181 0.03822 123 4XX 0.41129 0.13987 -0.15210 0.01585 -0.12139 124 4YY -0.21622 -0.07141 -0.17068 -0.06520 0.01475 125 4ZZ -0.24224 -0.03025 0.24534 0.02955 0.07177 126 4XY 0.00469 -0.13743 -0.42767 -0.10141 0.10121 127 4XZ -0.03406 -0.05613 0.17003 0.01713 -0.12092 128 4YZ -0.15225 -0.13862 -0.07824 0.04765 0.00642 129 13 C 1S -0.00780 0.01016 -0.01549 -0.01203 -0.00442 130 2S 0.42858 0.25983 0.19584 -0.04798 -0.11205 131 2PX 0.01455 0.00900 0.02604 0.02387 0.03451 132 2PY -0.12046 -0.03380 -0.08273 -0.03274 0.02765 133 2PZ -0.09819 -0.05367 -0.09467 0.00031 0.00922 134 3S -0.16634 -0.44146 0.12141 0.24330 0.51227 135 3PX -0.06240 -0.09255 0.57152 0.00666 -0.04542 136 3PY 0.21714 0.15886 0.09872 0.14915 -0.11254 137 3PZ 0.33228 -0.00111 0.17822 0.01100 -0.03800 138 4XX 0.41134 -0.14062 -0.15344 0.01622 0.12080 139 4YY -0.21669 0.07291 -0.17023 -0.06507 -0.01454 140 4ZZ -0.24186 0.02975 0.24598 0.02912 -0.07151 141 4XY -0.00360 -0.13915 0.42548 0.10130 0.10191 142 4XZ -0.03530 0.05506 0.17211 0.01731 0.12132 143 4YZ 0.15262 -0.13894 0.07648 -0.04705 0.00678 144 14 C 1S -0.00627 0.00581 0.00612 0.00601 -0.00031 145 2S -0.02608 0.18732 -0.03045 -0.12960 0.16949 146 2PX -0.11339 -0.10422 0.02679 0.00502 0.01181 147 2PY -0.01580 0.04334 0.03329 0.07816 -0.03850 148 2PZ 0.21745 0.01081 -0.02868 -0.00437 0.02016 149 3S -0.13789 -0.69976 -0.19783 -0.01039 -0.26361 150 3PX -0.16396 0.42238 -0.44227 -0.05186 -0.04392 151 3PY 0.18712 0.14929 0.35252 -0.25265 0.29941 152 3PZ -0.09333 0.07023 -0.07437 -0.06471 -0.18435 153 4XX 0.19678 -0.22867 -0.08188 0.02982 -0.14339 154 4YY -0.02400 0.09676 0.17585 0.06562 0.14394 155 4ZZ -0.20279 0.06162 -0.12618 -0.07172 -0.00903 156 4XY 0.04161 -0.27356 0.16118 0.11542 0.06938 157 4XZ -0.10212 -0.19461 -0.08365 -0.06142 0.02287 158 4YZ 0.09048 0.06829 0.09335 0.05983 0.00251 159 15 C 1S -0.02425 -0.00771 -0.00687 0.00307 0.00492 160 2S -0.50819 -0.37269 0.10835 0.03815 -0.03644 161 2PX 0.05228 0.14156 -0.00741 -0.00369 -0.00808 162 2PY 0.16453 0.05299 -0.06221 -0.02743 0.07293 163 2PZ -0.06284 -0.11554 0.02131 0.00774 0.03308 164 3S 0.61862 0.94983 0.34340 -0.08646 0.29003 165 3PX -0.36297 -0.37362 -0.04346 0.05053 0.09170 166 3PY -0.22877 -0.32739 0.19339 0.08857 -0.22264 167 3PZ 0.37125 0.32246 0.14300 0.00249 0.13547 168 4XX -0.07809 -0.04167 -0.05195 -0.01309 -0.09873 169 4YY 0.24045 -0.11379 -0.18247 -0.03661 -0.03325 170 4ZZ -0.22857 0.11313 0.25449 0.06648 0.18319 171 4XY -0.17236 -0.08353 0.04888 -0.05157 -0.09631 172 4XZ -0.21425 -0.18852 -0.15508 -0.01359 0.06026 173 4YZ 0.07736 -0.08087 0.00105 0.06111 -0.18914 174 16 H 1S 0.09172 0.09742 -0.14098 0.02328 0.04672 175 2S 0.12135 -0.14729 0.03662 -0.01571 -0.05377 176 17 H 1S 0.01170 0.04535 -0.16830 0.02360 0.12667 177 2S -0.10604 -0.06144 -0.15098 0.09031 0.03840 178 18 H 1S -0.21100 -0.04573 0.40530 0.05363 0.05646 179 2S -0.06024 -0.05265 -0.02654 -0.15342 0.00832 180 19 H 1S -0.21131 0.04465 0.40598 0.05303 -0.05556 181 2S -0.06040 0.05260 -0.02619 -0.15315 -0.00799 182 20 H 1S 0.01134 -0.04402 -0.16757 0.02327 -0.12656 183 2S -0.10673 0.06201 -0.14897 0.08946 -0.03826 184 21 H 1S 0.09206 -0.09777 -0.14156 0.02377 -0.04735 185 2S 0.12273 0.14774 0.03515 -0.01525 0.05396 186 22 H 1S -0.10291 -0.12070 -0.36434 -0.08027 0.12602 187 2S -0.02416 0.01812 -0.17115 -0.01624 -0.05208 188 23 H 1S -0.10239 0.12249 -0.36314 -0.08103 -0.12664 189 2S -0.02369 -0.01760 -0.17067 -0.01635 0.05163 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26205 2.27983 2.29195 2.30956 1 1 C 1S 0.00936 0.00577 0.01439 0.00441 0.03579 2 2S 0.06532 0.06711 0.40937 0.33546 0.81651 3 2PX -0.03260 0.02079 -0.01593 -0.05092 -0.11573 4 2PY 0.01039 -0.02249 -0.15958 0.00130 0.05883 5 2PZ 0.00204 -0.04081 0.03436 0.10902 0.22834 6 3S -0.26329 -0.57800 -0.41652 -0.88717 -3.33371 7 3PX 0.02449 -0.12366 0.07742 0.32864 0.96642 8 3PY -0.09865 0.24588 0.22741 0.65753 1.54252 9 3PZ -0.17023 -0.03188 -0.39796 -0.37955 -1.83553 10 4XX 0.08541 -0.02669 0.33149 -0.16968 -0.15161 11 4YY 0.02666 0.01369 -0.20840 0.01770 -0.02457 12 4ZZ -0.10204 -0.01151 -0.15120 0.10751 0.07941 13 4XY -0.03361 0.03420 -0.04775 0.01899 -0.00147 14 4XZ -0.00553 -0.14635 0.16042 0.20666 0.20293 15 4YZ -0.08810 0.07344 -0.14629 0.02010 -0.06514 16 2 C 1S 0.00897 -0.00594 0.01455 -0.00433 -0.03600 17 2S 0.06017 -0.06683 0.41601 -0.32960 -0.81904 18 2PX -0.03239 -0.01986 -0.01655 0.05074 0.11573 19 2PY -0.01102 -0.02148 0.15935 0.00358 0.05800 20 2PZ 0.00234 0.04085 0.03648 -0.10848 -0.22804 21 3S -0.23275 0.58310 -0.43904 0.88248 3.33891 22 3PX 0.02466 0.12271 0.08469 -0.32815 -0.96975 23 3PY 0.11204 0.24086 -0.24073 0.65372 1.54056 24 3PZ -0.16182 0.03565 -0.40658 0.37620 1.84319 25 4XX 0.08690 0.02472 0.32851 0.17429 0.14757 26 4YY 0.02570 -0.01538 -0.20886 -0.02108 0.02591 27 4ZZ -0.10191 0.01474 -0.14873 -0.10947 -0.07676 28 4XY 0.03528 0.03281 0.04769 0.02018 -0.00083 29 4XZ -0.00256 0.14639 0.16345 -0.20469 -0.20583 30 4YZ 0.09131 0.07092 0.14694 0.02243 -0.06629 31 3 C 1S -0.00308 0.00000 -0.01734 -0.00011 0.00004 32 2S -0.02644 0.00009 -0.22522 -0.00100 0.00281 33 2PX 0.01469 -0.00008 0.00265 0.00018 0.00075 34 2PY -0.00035 -0.02986 0.00002 0.02850 -0.00317 35 2PZ -0.00715 0.00002 -0.00542 -0.00012 -0.00048 36 3S 0.14842 -0.00089 0.59249 0.00352 -0.00321 37 3PX 0.09948 -0.00136 0.38700 0.00190 -0.00363 38 3PY 0.00002 0.00448 0.00078 -0.05826 -0.00054 39 3PZ 0.03659 -0.00139 -0.23904 -0.00157 0.00016 40 4XX 0.05863 -0.00120 0.22121 0.00157 -0.00237 41 4YY 0.02490 -0.00025 0.17275 0.00094 -0.00101 42 4ZZ -0.08623 0.00143 -0.39391 -0.00259 0.00292 43 4XY 0.00245 0.12301 0.00016 0.12016 -0.18001 44 4XZ -0.07846 0.00055 -0.33344 -0.00189 0.00104 45 4YZ 0.00250 0.11204 -0.00032 0.20561 -0.11475 46 4 O 1S -0.00068 0.00387 0.01192 -0.01376 -0.02465 47 2S -0.02309 -0.11103 -0.11529 0.16081 -0.08372 48 2PX 0.01380 -0.03763 -0.00312 0.11115 0.07181 49 2PY 0.00763 0.03272 0.05231 -0.05804 -0.06736 50 2PZ 0.00984 0.02383 -0.04993 -0.03643 -0.09251 51 3S 0.11688 0.14659 0.07535 0.08761 1.26276 52 3PX 0.04770 0.03945 0.20955 -0.15544 0.32565 53 3PY 0.01563 -0.08072 0.02086 -0.01586 -0.15731 54 3PZ -0.04982 -0.03807 0.01852 -0.01323 0.02247 55 4XX 0.15699 0.05619 0.44538 -0.02689 -0.07843 56 4YY -0.03061 -0.00502 -0.04912 0.04183 -0.07279 57 4ZZ -0.13906 -0.06266 -0.35905 -0.02771 0.06667 58 4XY 0.03112 0.06628 0.09940 0.11097 -0.04168 59 4XZ 0.03600 -0.02349 0.13911 0.11982 0.32472 60 4YZ -0.01114 0.07511 0.01328 0.13137 -0.08791 61 5 H 1S -0.00894 0.01755 -0.00043 -0.06395 -0.22749 62 2S -0.01810 0.05197 -0.15152 -0.23204 -0.60761 63 6 H 1S -0.00915 -0.01743 -0.00196 0.06363 0.22694 64 2S -0.01697 -0.05186 -0.15559 0.23061 0.60976 65 7 H 1S 0.04269 -0.00036 0.21641 0.00164 -0.00125 66 2S -0.10815 0.00157 -0.07883 -0.00052 0.00115 67 8 O 1S -0.00067 -0.00377 0.01167 0.01394 0.02470 68 2S -0.02009 0.11123 -0.11373 -0.16195 0.08672 69 2PX 0.01427 0.03696 -0.00144 -0.11131 -0.07219 70 2PY -0.00711 0.03279 -0.05133 -0.05874 -0.06691 71 2PZ 0.00942 -0.02435 -0.05076 0.03567 0.09278 72 3S 0.10828 -0.15002 0.08047 -0.08769 -1.26966 73 3PX 0.04616 -0.03958 0.20837 0.15831 -0.32753 74 3PY -0.01824 -0.08038 -0.01977 -0.01656 -0.15911 75 3PZ -0.04832 0.03992 0.01833 0.01386 -0.02107 76 4XX 0.15495 -0.06001 0.44429 0.03302 0.07345 77 4YY -0.03033 0.00548 -0.04886 -0.04286 0.07274 78 4ZZ -0.13657 0.06670 -0.35861 0.02324 -0.06094 79 4XY -0.02837 0.06749 -0.10071 0.10991 -0.03825 80 4XZ 0.03520 0.02308 0.14056 -0.11740 -0.32546 81 4YZ 0.01423 0.07511 -0.01386 0.13109 -0.08616 82 9 H 1S 0.00461 0.00011 -0.01878 -0.00033 0.00048 83 2S 0.02721 -0.00073 0.07718 0.00033 -0.00154 84 10 C 1S 0.00496 -0.02242 0.00020 0.01257 -0.02798 85 2S 0.29096 -0.29454 -0.03906 0.16924 -0.54698 86 2PX -0.06259 -0.01976 0.01851 0.03357 0.11344 87 2PY 0.06937 0.02247 -0.03704 -0.04731 0.04887 88 2PZ 0.07895 -0.02964 0.01386 0.04488 -0.11579 89 3S -0.27394 3.02303 -0.04847 -1.29073 2.45819 90 3PX 0.21772 -0.88240 0.06682 0.80819 -1.07328 91 3PY -0.01954 1.01014 0.01336 -0.62310 0.85843 92 3PZ -0.01486 1.37734 -0.03716 -0.44015 0.92283 93 4XX -0.14370 -0.20713 -0.13189 -0.32986 0.15546 94 4YY -0.15563 0.07042 0.10538 -0.06267 -0.03237 95 4ZZ 0.29240 0.19916 0.00572 0.34065 -0.12778 96 4XY -0.02822 -0.01948 -0.03522 0.34173 -0.02228 97 4XZ 0.10385 -0.02097 0.02608 0.00250 -0.18140 98 4YZ -0.08305 -0.05976 -0.05945 0.30533 -0.23157 99 11 C 1S -0.00505 0.02999 -0.00760 -0.00586 0.01788 100 2S -0.14798 0.63506 -0.02559 -0.14981 0.21191 101 2PX 0.02805 -0.06939 -0.00119 0.06007 -0.14350 102 2PY -0.01260 0.11336 0.00602 0.00801 -0.01583 103 2PZ -0.04329 0.04637 -0.00811 -0.01427 0.15001 104 3S 0.39144 -2.75843 0.11230 1.10704 -1.61620 105 3PX -0.20018 -0.53249 -0.00112 -0.18829 0.04970 106 3PY -0.18295 -1.82532 0.18109 0.51063 -0.87580 107 3PZ -0.24693 -0.42856 -0.01383 -0.01426 -0.25211 108 4XX -0.19006 -0.05983 -0.12044 -0.13419 0.09071 109 4YY 0.33720 0.20658 -0.07793 0.03745 -0.09351 110 4ZZ -0.12363 -0.24324 0.19404 0.14695 -0.08301 111 4XY -0.28039 -0.28959 0.03705 -0.05659 0.13931 112 4XZ -0.11057 -0.20635 0.09793 0.05070 -0.19903 113 4YZ -0.12210 -0.14757 -0.08133 -0.22565 -0.12544 114 12 C 1S -0.00973 -0.04499 -0.00303 0.00475 0.00348 115 2S -0.01912 -0.23784 -0.13906 0.32371 0.39246 116 2PX -0.04372 0.03047 0.02846 -0.03904 -0.02843 117 2PY -0.02289 0.00309 0.01225 0.05438 0.02630 118 2PZ -0.01185 -0.12337 0.05930 -0.04351 -0.13837 119 3S 0.11629 2.46283 0.15747 -0.94969 -0.09810 120 3PX 0.01146 0.42766 -0.13357 0.40145 0.46680 121 3PY 0.04038 0.59307 -0.02734 -0.00721 -0.10949 122 3PZ -0.14306 -0.41022 -0.04162 0.34825 -0.10829 123 4XX 0.18464 0.12327 -0.03056 -0.22191 -0.14607 124 4YY -0.02319 0.09694 -0.04841 0.13032 0.09437 125 4ZZ -0.18854 -0.22530 0.11134 0.00649 -0.02504 126 4XY 0.12021 -0.41924 0.00452 0.10475 -0.03316 127 4XZ -0.46029 -0.17830 0.21508 0.02102 -0.21658 128 4YZ 0.09942 -0.11389 -0.04561 -0.03175 -0.12533 129 13 C 1S -0.00831 0.04536 -0.00309 -0.00479 -0.00369 130 2S -0.01327 0.23802 -0.13490 -0.32508 -0.38710 131 2PX -0.04439 -0.02940 0.02784 0.03960 0.02874 132 2PY 0.02316 0.00182 -0.01323 0.05388 0.02397 133 2PZ -0.00730 0.12447 0.05820 0.04445 0.13801 134 3S 0.04019 -2.46689 0.15101 0.95115 0.09705 135 3PX -0.00524 -0.42939 -0.12469 -0.40452 -0.46942 136 3PY -0.02322 0.59309 0.02565 -0.00616 -0.10945 137 3PZ -0.12908 0.41609 -0.03760 -0.34840 0.10626 138 4XX 0.18116 -0.12679 -0.03334 0.22095 0.14683 139 4YY -0.02630 -0.09652 -0.04611 -0.13128 -0.10007 140 4ZZ -0.18144 0.22959 0.11054 -0.00416 0.02839 141 4XY -0.13213 -0.41754 -0.00510 0.10442 -0.03762 142 4XZ -0.45444 0.19259 0.21463 -0.01629 0.21939 143 4YZ -0.10288 -0.11069 0.04506 -0.03095 -0.12283 144 14 C 1S -0.00616 -0.02998 -0.00756 0.00578 -0.01765 145 2S -0.16907 -0.63135 -0.02557 0.15014 -0.20901 146 2PX 0.03060 0.06816 -0.00041 -0.06050 0.14189 147 2PY 0.01625 0.11273 -0.00647 0.00773 -0.01649 148 2PZ -0.04495 -0.04461 -0.00877 0.01439 -0.14915 149 3S 0.48493 2.75006 0.12088 -1.10753 1.60287 150 3PX -0.18395 0.54181 -0.00587 0.18788 -0.05246 151 3PY 0.12422 -1.83260 -0.18286 0.50750 -0.86827 152 3PZ -0.23189 0.43271 -0.01652 0.01520 0.24972 153 4XX -0.18947 0.06497 -0.12371 0.13100 -0.10276 154 4YY 0.33191 -0.21796 -0.07597 -0.03838 0.09346 155 4ZZ -0.11575 0.24890 0.19596 -0.14291 0.09473 156 4XY 0.27108 -0.29914 -0.03505 -0.05717 0.13874 157 4XZ -0.10416 0.21019 0.09795 -0.04794 0.20553 158 4YZ 0.11726 -0.15119 0.08505 -0.22332 -0.11576 159 15 C 1S 0.00571 0.02232 0.00034 -0.01264 0.02748 160 2S 0.30126 0.28388 -0.03716 -0.17146 0.53941 161 2PX -0.06215 0.02215 0.01871 -0.03292 -0.11204 162 2PY -0.06882 0.02529 0.03811 -0.04582 0.05366 163 2PZ 0.07995 0.02706 0.01472 -0.04467 0.11716 164 3S -0.37296 -3.01525 -0.05920 1.29173 -2.44312 165 3PX 0.24764 0.87572 0.07814 -0.80727 1.06913 166 3PY 0.05172 1.01057 -0.00686 -0.62530 0.85780 167 3PZ -0.05967 -1.37458 -0.04062 0.43927 -0.91388 168 4XX -0.13770 0.20920 -0.13895 0.32577 -0.16933 169 4YY -0.15736 -0.06351 0.10436 0.06565 0.04111 170 4ZZ 0.28634 -0.20798 0.01333 -0.34010 0.13116 171 4XY 0.02748 -0.02017 0.03039 0.34264 -0.02125 172 4XZ 0.10472 0.01917 0.02580 -0.00199 0.17806 173 4YZ 0.07980 -0.06110 0.05497 0.30765 -0.22649 174 16 H 1S 0.03714 0.08585 0.01675 -0.16526 0.11641 175 2S -0.04724 0.44801 -0.03160 -0.25796 0.33590 176 17 H 1S -0.24744 -0.21246 0.06821 0.00702 0.01406 177 2S -0.10694 -0.41158 0.06039 0.08759 -0.18254 178 18 H 1S -0.26197 -0.06383 0.05829 0.20486 0.07025 179 2S 0.12557 0.01608 -0.17203 0.13425 0.21336 180 19 H 1S -0.26053 0.07036 0.06142 -0.20388 -0.07283 181 2S 0.12391 -0.01979 -0.16925 -0.13705 -0.21236 182 20 H 1S -0.24202 0.22094 0.06698 -0.00528 -0.01272 183 2S -0.09353 0.41472 0.06057 -0.08637 0.17929 184 21 H 1S 0.03423 -0.08590 0.01360 0.16578 -0.11652 185 2S -0.06152 -0.44655 -0.03451 0.25757 -0.33448 186 22 H 1S 0.26523 -0.19471 -0.11792 0.03048 0.08293 187 2S -0.02838 -0.06529 0.08374 -0.08441 -0.11485 188 23 H 1S 0.27088 0.18703 -0.11777 -0.03285 -0.08373 189 2S -0.02557 0.06667 0.08175 0.08628 0.11792 156 157 158 159 160 V V V V V Eigenvalues -- 2.31854 2.37118 2.40151 2.43437 2.44809 1 1 C 1S 0.00676 -0.02964 -0.01480 -0.03487 0.00280 2 2S 0.12414 -0.67530 -0.06288 -0.35652 -0.06149 3 2PX -0.00051 0.02436 -0.06266 0.00393 0.01795 4 2PY -0.04606 -0.04940 -0.03679 -0.07589 -0.00716 5 2PZ -0.00047 -0.14806 0.03067 -0.01417 -0.01551 6 3S -0.24096 2.73407 0.64533 1.87023 -0.02276 7 3PX 0.09172 -0.45808 0.12480 0.26904 0.16325 8 3PY 0.09235 -1.25720 -0.13870 -0.59233 0.04359 9 3PZ -0.17893 1.20083 0.05249 0.40820 0.02961 10 4XX 0.09338 0.22712 0.02353 -0.08898 -0.28021 11 4YY -0.05348 0.02320 0.04570 0.07862 0.03307 12 4ZZ -0.04683 -0.14154 -0.06411 0.03327 0.26968 13 4XY -0.01217 0.07986 0.09014 0.17213 0.04710 14 4XZ 0.07331 -0.02373 0.06043 0.10263 -0.02025 15 4YZ -0.05662 0.06501 0.06192 0.15464 -0.00595 16 2 C 1S 0.00566 0.02957 0.01470 0.03463 0.00268 17 2S 0.09700 0.67327 0.06300 0.35819 -0.06234 18 2PX 0.00353 -0.02410 0.06264 -0.00271 0.01800 19 2PY 0.04790 -0.04989 -0.03666 -0.07561 0.00728 20 2PZ -0.00807 0.14782 -0.03046 0.01465 -0.01502 21 3S -0.13182 -2.73108 -0.64356 -1.86841 -0.01882 22 3PX 0.05991 0.45905 -0.12482 -0.26720 0.16775 23 3PY -0.03950 -1.25479 -0.13900 -0.59242 -0.04484 24 3PZ -0.11866 -1.20209 -0.05264 -0.40899 0.02787 25 4XX 0.09909 -0.22699 -0.02301 0.08571 -0.28054 26 4YY -0.05309 -0.02303 -0.04635 -0.08000 0.03303 27 4ZZ -0.04944 0.14142 0.06390 -0.03010 0.27002 28 4XY 0.01188 0.07921 0.09011 0.17150 -0.04697 29 4XZ 0.06688 0.02461 -0.06030 -0.10260 -0.01917 30 4YZ 0.05465 0.06394 0.06168 0.15503 0.00534 31 3 C 1S -0.00228 0.00003 -0.00003 -0.00006 0.00406 32 2S -0.17398 0.00028 0.00069 0.00219 -0.01203 33 2PX -0.05149 0.00002 0.00035 0.00085 -0.03026 34 2PY -0.00004 0.00364 0.01965 -0.01622 -0.00002 35 2PZ 0.02226 0.00015 -0.00016 -0.00059 -0.00128 36 3S 0.19901 -0.00121 0.00010 -0.00083 -0.14597 37 3PX 0.24663 -0.00081 -0.00072 -0.00236 -0.04780 38 3PY -0.00004 0.03434 -0.01721 -0.10850 0.00016 39 3PZ 0.02412 -0.00011 -0.00047 0.00043 0.23870 40 4XX 0.14736 0.00036 0.00049 0.00696 0.64469 41 4YY 0.08163 -0.00006 0.00007 0.00004 0.01958 42 4ZZ -0.19869 -0.00033 -0.00079 -0.00764 -0.64575 43 4XY -0.00270 -0.06849 -0.09070 -0.15308 0.00021 44 4XZ -0.06370 0.00023 -0.00027 0.00009 0.10482 45 4YZ -0.00145 -0.12411 -0.08202 -0.03672 0.00052 46 4 O 1S -0.00106 0.01625 0.00070 -0.01025 -0.01350 47 2S -0.09171 0.07074 0.09572 0.11072 -0.05409 48 2PX 0.00726 -0.05271 0.02074 0.05480 0.04927 49 2PY 0.02124 0.02574 -0.02714 -0.03297 0.00420 50 2PZ -0.01396 0.02578 -0.02203 0.02032 0.03758 51 3S 0.19918 -0.84425 -0.19689 -0.22021 0.33884 52 3PX 0.07076 -0.13251 -0.06456 -0.21323 -0.13725 53 3PY -0.04833 0.16150 0.07965 0.05637 -0.15501 54 3PZ -0.04295 0.05420 0.06408 -0.05752 -0.23204 55 4XX 0.14853 0.03283 -0.03721 -0.22069 -0.18436 56 4YY 0.01010 0.01480 -0.00470 0.03507 0.04193 57 4ZZ -0.17732 0.02751 0.06699 0.15291 0.07363 58 4XY 0.08664 -0.09206 -0.03302 -0.02436 0.24421 59 4XZ 0.03118 -0.17256 0.04483 -0.16114 -0.10029 60 4YZ 0.04686 -0.10937 -0.07836 -0.02911 0.35385 61 5 H 1S -0.01566 0.15708 -0.01272 -0.00755 -0.11044 62 2S -0.04616 0.40314 -0.02585 0.00591 0.03550 63 6 H 1S -0.00769 -0.15631 0.01288 0.00643 -0.11107 64 2S -0.02574 -0.40394 0.02541 -0.00633 0.03335 65 7 H 1S 0.07222 0.00014 0.00048 0.00421 0.33265 66 2S -0.08976 0.00040 0.00006 -0.00205 -0.28881 67 8 O 1S -0.00028 -0.01633 -0.00066 0.01010 -0.01361 68 2S -0.08918 -0.07080 -0.09512 -0.11000 -0.05362 69 2PX 0.00484 0.05288 -0.02077 -0.05415 0.04975 70 2PY -0.02329 0.02587 -0.02709 -0.03257 -0.00408 71 2PZ -0.01084 -0.02559 0.02204 -0.01950 0.03767 72 3S 0.15881 0.84553 0.19537 0.22213 0.34024 73 3PX 0.06077 0.13173 0.06453 0.21172 -0.13831 74 3PY 0.04294 0.16241 0.07913 0.05661 0.15586 75 3PZ -0.04409 -0.05426 -0.06377 0.05384 -0.23230 76 4XX 0.15136 -0.03351 0.03761 0.21957 -0.18524 77 4YY 0.01219 -0.01440 0.00461 -0.03547 0.04329 78 4ZZ -0.17965 -0.02759 -0.06716 -0.15216 0.07263 79 4XY -0.08775 -0.09253 -0.03309 -0.02909 -0.24400 80 4XZ 0.01977 0.17176 -0.04453 0.16013 -0.10073 81 4YZ -0.04876 -0.10983 -0.07859 -0.03611 -0.35423 82 9 H 1S -0.02670 -0.00026 -0.00037 -0.00405 -0.34728 83 2S 0.11116 -0.00016 -0.00033 0.00059 0.17202 84 10 C 1S 0.01619 0.00551 0.00273 -0.03309 0.01167 85 2S 0.19565 0.04827 0.02147 -0.20661 0.07516 86 2PX -0.04126 0.07411 -0.03255 0.12557 -0.00465 87 2PY 0.14768 0.04622 -0.07472 0.16128 -0.02642 88 2PZ -0.05428 -0.04202 0.00964 -0.08290 0.00926 89 3S -0.44860 -1.15112 -0.53159 -0.59727 -0.43167 90 3PX 0.09390 0.29228 0.32133 0.39304 0.15483 91 3PY -0.07288 -0.70912 -0.16977 0.16396 0.10194 92 3PZ -0.23116 -0.28049 -0.36007 -0.42232 -0.10855 93 4XX 0.44098 -0.02154 -0.22429 -0.14339 -0.07973 94 4YY -0.22227 -0.03297 -0.03908 0.25158 0.08764 95 4ZZ -0.16275 -0.01986 0.27760 -0.13102 -0.01183 96 4XY 0.06847 0.17688 -0.44873 0.15879 0.02456 97 4XZ 0.12008 -0.08387 -0.11388 -0.29607 0.15011 98 4YZ 0.15001 -0.04221 -0.19960 0.13077 -0.07063 99 11 C 1S -0.01243 -0.00966 0.01359 -0.05895 -0.02196 100 2S -0.11276 -0.49703 -0.39248 -1.20192 -0.06727 101 2PX 0.04180 0.06023 0.08608 -0.02540 -0.00560 102 2PY -0.03146 -0.14155 -0.11402 -0.20348 0.03084 103 2PZ -0.01660 -0.05739 -0.20418 0.13273 0.04827 104 3S 0.54212 0.59072 0.54683 3.62671 0.74030 105 3PX 0.12436 -0.09685 -0.11125 -0.01188 0.10997 106 3PY 0.31695 0.76670 0.42773 1.90850 0.18760 107 3PZ 0.09990 -0.00655 -0.15160 0.47523 0.09025 108 4XX 0.39164 0.17619 -0.12093 0.05600 -0.25192 109 4YY -0.00192 -0.20270 0.13853 0.05294 0.21177 110 4ZZ -0.38276 0.08470 0.13047 0.08262 0.04062 111 4XY 0.03570 0.06824 -0.11137 -0.02604 0.08552 112 4XZ -0.19426 0.00727 0.09002 -0.23746 -0.05631 113 4YZ 0.31619 -0.21564 -0.07825 0.13815 0.09923 114 12 C 1S 0.00895 -0.03640 -0.01028 0.08698 0.01600 115 2S -0.13693 -0.30701 -0.04589 0.54080 0.09033 116 2PX -0.00488 0.07049 -0.01114 0.00327 -0.01847 117 2PY -0.05515 0.08792 0.06834 -0.06238 0.01360 118 2PZ 0.02012 0.08763 0.01360 0.13678 0.05320 119 3S -0.07762 0.74820 0.00575 -4.00536 -0.48801 120 3PX 0.07701 -0.12511 0.19929 -0.77281 -0.05750 121 3PY 0.01965 0.46724 -0.08510 -0.99858 0.08029 122 3PZ 0.12912 -0.51340 -0.12237 1.12786 0.18255 123 4XX -0.00169 -0.41730 -0.31127 0.37145 0.08874 124 4YY 0.18617 0.17466 0.11966 -0.21892 0.05296 125 4ZZ -0.13478 0.23415 0.15984 -0.14623 -0.13788 126 4XY -0.14112 -0.32228 -0.10996 -0.11644 0.03317 127 4XZ -0.03279 0.05698 -0.08528 -0.02001 0.14672 128 4YZ 0.06054 -0.28824 0.41426 0.15028 -0.03432 129 13 C 1S 0.00922 0.03628 0.01014 -0.08753 0.01664 130 2S -0.14788 0.30677 0.04516 -0.54454 0.09532 131 2PX -0.00399 -0.07035 0.01130 -0.00209 -0.01846 132 2PY 0.05670 0.08816 0.06826 -0.06109 -0.01340 133 2PZ 0.02511 -0.08798 -0.01364 -0.13822 0.05395 134 3S -0.08795 -0.74369 -0.00178 4.02144 -0.51867 135 3PX 0.05825 0.12587 -0.19988 0.77254 -0.06162 136 3PY -0.01913 0.46686 -0.08487 -0.99510 -0.07316 137 3PZ 0.13633 0.51163 0.11923 -1.14223 0.19155 138 4XX 0.00568 0.41656 0.31040 -0.37492 0.09129 139 4YY 0.18135 -0.17461 -0.12208 0.21670 0.05168 140 4ZZ -0.13444 -0.23369 -0.15656 0.15200 -0.13939 141 4XY 0.13835 -0.32168 -0.11073 -0.11759 -0.03238 142 4XZ -0.02428 -0.05912 0.08369 0.01293 0.14627 143 4YZ -0.06332 -0.28815 0.41437 0.14771 0.03395 144 14 C 1S -0.01321 0.00994 -0.01333 0.06031 -0.02243 145 2S -0.12108 0.49913 0.39411 1.20561 -0.07566 146 2PX 0.04549 -0.06003 -0.08580 0.02548 -0.00559 147 2PY 0.03133 -0.14163 -0.11446 -0.20129 -0.02954 148 2PZ -0.01980 0.05707 0.20328 -0.13452 0.04938 149 3S 0.59894 -0.60111 -0.55555 -3.66495 0.76660 150 3PX 0.12515 0.09658 0.11142 0.00794 0.11057 151 3PY -0.34922 0.77143 0.42900 1.91804 -0.20135 152 3PZ 0.11107 0.00656 0.15108 -0.47520 0.09314 153 4XX 0.39005 -0.17605 0.12056 -0.04757 -0.25128 154 4YY 0.00031 0.20314 -0.14108 -0.06091 0.21220 155 4ZZ -0.38105 -0.08545 -0.12750 -0.08220 0.04072 156 4XY -0.03191 0.06833 -0.11078 -0.02185 -0.08636 157 4XZ -0.18815 -0.00689 -0.08862 0.24062 -0.05844 158 4YZ -0.32162 -0.21448 -0.07553 0.14275 -0.09973 159 15 C 1S 0.01695 -0.00566 -0.00284 0.03259 0.01151 160 2S 0.21171 -0.04849 -0.02255 0.20586 0.07301 161 2PX -0.04413 -0.07427 0.03326 -0.12639 -0.00345 162 2PY -0.14690 0.04606 -0.07459 0.16041 0.02542 163 2PZ -0.05134 0.04212 -0.00976 0.08352 0.00850 164 3S -0.52488 1.15521 0.53505 0.61424 -0.43663 165 3PX 0.12444 -0.29356 -0.32188 -0.39962 0.15735 166 3PY 0.09977 -0.70970 -0.17015 0.16753 -0.10271 167 3PZ -0.25923 0.28109 0.36063 0.42704 -0.11123 168 4XX 0.43857 0.02139 0.22309 0.14539 -0.08024 169 4YY -0.22022 0.03251 0.03922 -0.25517 0.08875 170 4ZZ -0.16253 0.02014 -0.27698 0.13235 -0.01238 171 4XY -0.06955 0.17712 -0.44737 0.15934 -0.02652 172 4XZ 0.12558 0.08267 0.11219 0.28879 0.14835 173 4YZ -0.15711 -0.04253 -0.19914 0.12850 0.06993 174 16 H 1S 0.02487 -0.00551 -0.18383 -0.13793 0.11091 175 2S -0.04413 -0.19292 -0.09152 -0.01962 -0.03306 176 17 H 1S -0.03028 0.21480 -0.02642 0.02053 -0.15606 177 2S 0.11184 0.17066 0.11848 0.36839 0.05312 178 18 H 1S 0.09983 0.23942 0.21501 0.05814 -0.02883 179 2S -0.03784 -0.08092 -0.02154 -0.20833 0.13132 180 19 H 1S 0.09632 -0.23934 -0.21568 -0.06010 -0.02792 181 2S -0.04525 0.08103 0.02159 0.21019 0.13008 182 20 H 1S -0.02954 -0.21452 0.02879 -0.01349 -0.15597 183 2S 0.11843 -0.17159 -0.11891 -0.37049 0.05586 184 21 H 1S 0.02232 0.00459 0.18257 0.13347 0.11031 185 2S -0.05396 0.19367 0.09168 0.02109 -0.03307 186 22 H 1S -0.00706 -0.12717 0.10430 0.23357 -0.01709 187 2S -0.08856 0.28070 -0.05957 0.08902 0.01974 188 23 H 1S -0.00967 0.12732 -0.10377 -0.23012 -0.01554 189 2S -0.08442 -0.28069 0.06038 -0.08740 0.02008 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52229 2.54539 2.59889 1 1 C 1S 0.00791 0.01124 -0.00396 0.01695 0.03382 2 2S -0.13144 -0.50965 -0.11152 0.54547 0.01731 3 2PX -0.03155 0.09553 0.00966 -0.06961 0.22958 4 2PY 0.02305 0.16246 -0.01927 -0.01105 -0.15467 5 2PZ -0.03437 -0.09446 -0.07580 0.10302 -0.09637 6 3S -0.02010 0.01884 0.83735 -1.62076 -0.72806 7 3PX -0.01980 0.66351 -0.75497 -0.05639 0.40357 8 3PY -0.08887 0.40235 -0.74108 0.67694 0.21553 9 3PZ 0.01991 0.27192 0.74642 -0.52479 -0.53976 10 4XX 0.10173 -0.29389 -0.01442 -0.30022 -0.09037 11 4YY 0.04619 -0.23435 0.00330 0.03030 0.08954 12 4ZZ -0.07540 0.62807 0.04078 0.17427 0.03645 13 4XY -0.02872 -0.29772 0.31631 0.32450 -0.04204 14 4XZ 0.03808 -0.02334 -0.13575 -0.14586 0.39512 15 4YZ 0.02937 -0.11654 0.23708 0.26337 -0.00523 16 2 C 1S 0.00891 -0.01127 0.00398 -0.01699 0.03367 17 2S -0.11925 0.51101 0.11210 -0.54534 0.01494 18 2PX -0.03134 -0.09596 -0.00988 0.06901 0.22957 19 2PY -0.02509 0.16262 -0.01949 -0.01119 0.15581 20 2PZ -0.03354 0.09497 0.07582 -0.10281 -0.09662 21 3S -0.07784 -0.01798 -0.83823 1.62179 -0.71764 22 3PX -0.02761 -0.66280 0.75465 0.05496 0.40304 23 3PY 0.07026 0.40148 -0.73974 0.67595 -0.20863 24 3PZ 0.00594 -0.27160 -0.74820 0.52688 -0.53703 25 4XX 0.10371 0.29356 0.01537 0.30070 -0.09022 26 4YY 0.04411 0.23431 -0.00424 -0.03138 0.09102 27 4ZZ -0.07639 -0.62792 -0.04111 -0.17372 0.03566 28 4XY 0.03341 -0.29745 0.31590 0.32449 0.04095 29 4XZ 0.03504 0.02267 0.13636 0.14554 0.39517 30 4YZ -0.02445 -0.11378 0.23686 0.26355 0.00683 31 3 C 1S 0.01004 -0.00005 -0.00004 -0.00007 0.07429 32 2S -0.17422 0.00002 -0.00046 0.00056 -0.43906 33 2PX -0.08380 0.00014 0.00003 0.00039 -0.37914 34 2PY -0.00030 -0.08055 0.00671 0.02814 -0.00019 35 2PZ 0.05886 -0.00023 -0.00004 -0.00036 0.41703 36 3S -0.06287 0.00105 0.00183 0.00181 -2.14710 37 3PX 0.11018 0.00053 0.00089 0.00027 -0.79032 38 3PY -0.00152 -0.05020 0.12113 0.02717 -0.00014 39 3PZ 0.03611 -0.00036 -0.00054 -0.00040 0.57004 40 4XX -0.36908 0.00015 -0.00075 -0.00030 0.10329 41 4YY 0.01287 -0.00012 0.00072 0.00048 0.02707 42 4ZZ 0.41648 -0.00012 0.00014 -0.00042 0.04198 43 4XY -0.00235 -0.03663 -0.16071 -0.09191 -0.00028 44 4XZ 0.04213 -0.00037 -0.00046 -0.00041 0.56713 45 4YZ -0.00115 0.00427 -0.31416 -0.17784 -0.00043 46 4 O 1S 0.00126 -0.00299 0.02147 -0.00512 -0.06143 47 2S -0.07946 -0.21646 0.01904 0.11532 -0.92396 48 2PX -0.01981 0.00680 -0.06433 0.05060 0.01489 49 2PY 0.01380 0.08663 0.00871 -0.02711 0.08671 50 2PZ -0.02176 0.05663 -0.02609 -0.01072 -0.02224 51 3S 0.11183 0.43796 -0.63278 0.06242 3.05762 52 3PX 0.04783 -0.10942 0.04519 -0.01811 0.25945 53 3PY -0.05076 -0.32674 0.19770 0.05856 -1.28077 54 3PZ 0.09435 -0.24657 0.10342 -0.03701 -0.01441 55 4XX 0.02145 -0.38452 -0.11860 -0.26086 -0.22187 56 4YY 0.04443 0.12777 -0.07726 -0.08052 0.37431 57 4ZZ -0.05827 0.21958 0.31282 0.30794 -0.42556 58 4XY -0.11194 -0.02699 -0.05778 0.04542 -0.09088 59 4XZ 0.00515 -0.23563 -0.06018 0.03292 -0.31694 60 4YZ -0.20564 0.24648 -0.16086 -0.04202 -0.09678 61 5 H 1S 0.05356 -0.23499 0.20511 -0.01216 0.01946 62 2S 0.02959 -0.00310 0.36665 -0.13919 -0.20001 63 6 H 1S 0.05353 0.23362 -0.20437 0.01240 0.01940 64 2S 0.02861 0.00332 -0.36727 0.13930 -0.19859 65 7 H 1S -0.23298 0.00000 -0.00053 -0.00003 0.09796 66 2S 0.09433 -0.00005 0.00033 -0.00015 0.06390 67 8 O 1S 0.00152 0.00301 -0.02140 0.00525 -0.06146 68 2S -0.08261 0.21737 -0.01850 -0.11361 -0.92393 69 2PX -0.02130 -0.00664 0.06433 -0.05071 0.01503 70 2PY -0.01454 0.08682 0.00858 -0.02701 -0.08646 71 2PZ -0.02238 -0.05666 0.02608 0.01071 -0.02248 72 3S 0.11933 -0.43997 0.63038 -0.06827 3.05711 73 3PX 0.05425 0.10931 -0.04492 0.01796 0.25840 74 3PY 0.05219 -0.32779 0.19710 0.05623 1.28060 75 3PZ 0.09601 0.24631 -0.10312 0.03752 -0.01194 76 4XX 0.02787 0.38488 0.11916 0.26140 -0.22166 77 4YY 0.04263 -0.12873 0.07782 0.08041 0.37408 78 4ZZ -0.06204 -0.21879 -0.31358 -0.30781 -0.42542 79 4XY 0.11079 -0.02730 -0.05733 0.04571 0.09075 80 4XZ 0.01004 0.23582 0.06044 -0.03203 -0.31756 81 4YZ 0.20479 0.24659 -0.15957 -0.04121 0.09867 82 9 H 1S 0.21974 -0.00005 0.00044 0.00005 -0.01730 83 2S -0.01295 0.00006 -0.00012 -0.00025 0.04495 84 10 C 1S 0.02216 0.00316 0.00731 0.00397 0.00833 85 2S 0.09370 -0.06944 0.30664 0.10866 0.07368 86 2PX 0.01477 0.02460 -0.06979 -0.07488 0.03990 87 2PY -0.00743 0.00233 -0.00305 -0.03056 0.07340 88 2PZ -0.00667 -0.00913 0.05354 0.03726 -0.03023 89 3S -0.80698 -0.16828 -0.41279 0.71864 -0.27145 90 3PX 0.30195 0.11903 0.28552 -0.31715 0.12998 91 3PY 0.16810 0.05162 -0.02249 -0.10413 -0.01976 92 3PZ -0.26509 -0.17673 -0.13662 0.37582 -0.06817 93 4XX -0.06852 0.00671 -0.09916 0.04647 -0.02753 94 4YY 0.12968 -0.01296 0.00143 -0.04097 -0.06635 95 4ZZ -0.05804 0.02220 0.01891 -0.00878 0.08446 96 4XY 0.02875 -0.08769 0.08450 -0.05399 -0.08131 97 4XZ 0.31547 0.02685 0.11454 0.08571 0.00829 98 4YZ -0.07743 -0.10161 0.01038 0.01114 0.03877 99 11 C 1S -0.05741 -0.01407 0.02279 0.01264 -0.00754 100 2S -0.16823 -0.27751 0.29496 0.67703 -0.01951 101 2PX 0.01037 0.03333 0.00365 0.00803 0.03752 102 2PY 0.07643 -0.03916 0.06397 0.15924 0.00625 103 2PZ 0.07346 -0.04813 -0.08603 0.03355 -0.02239 104 3S 1.73204 0.51987 -0.92452 -1.33409 0.15707 105 3PX 0.09596 -0.08480 0.32170 -0.36595 0.06663 106 3PY 0.45289 0.12824 -0.48668 -0.98539 0.15553 107 3PZ 0.17566 -0.24163 -0.25019 0.14711 -0.07586 108 4XX -0.37469 0.05318 0.01636 -0.11669 0.03184 109 4YY 0.36646 -0.02813 -0.03776 0.00296 -0.18627 110 4ZZ -0.02112 0.01917 0.00754 -0.07050 0.15683 111 4XY 0.17638 0.01722 -0.07002 0.04194 -0.02791 112 4XZ -0.17702 0.02674 0.10198 0.03935 -0.09909 113 4YZ 0.21545 -0.08838 -0.12829 0.10880 -0.05491 114 12 C 1S 0.02748 -0.01997 -0.05254 0.00473 0.00356 115 2S 0.17354 -0.23761 -0.42393 0.09472 -0.24018 116 2PX -0.05128 0.01965 0.03153 -0.04948 0.03285 117 2PY 0.04488 0.03119 0.05664 -0.04501 -0.03169 118 2PZ 0.07186 0.02887 0.01285 -0.09553 0.10844 119 3S -0.83603 0.74627 2.12597 0.32711 0.06714 120 3PX -0.03803 -0.09998 -0.48427 0.90782 -0.19502 121 3PY 0.05695 0.27875 0.64391 0.11190 0.08526 122 3PZ 0.55837 -0.24587 -0.90288 0.32765 -0.21631 123 4XX 0.16545 -0.09294 -0.01351 -0.04894 0.08415 124 4YY 0.08741 0.09062 0.18781 -0.10939 0.01280 125 4ZZ -0.25657 0.03812 -0.15234 0.14412 -0.00216 126 4XY -0.03872 -0.02014 0.32932 -0.16391 0.06097 127 4XZ 0.31721 -0.09046 -0.41002 0.42568 -0.02358 128 4YZ -0.10610 -0.03772 -0.06715 -0.10388 -0.03713 129 13 C 1S 0.02535 0.01994 0.05255 -0.00481 0.00353 130 2S 0.16110 0.23757 0.42386 -0.09473 -0.24110 131 2PX -0.05143 -0.01958 -0.03167 0.04953 0.03320 132 2PY -0.04643 0.03112 0.05662 -0.04511 0.03150 133 2PZ 0.06813 -0.02881 -0.01285 0.09511 0.10869 134 3S -0.73649 -0.74579 -2.12515 -0.32524 0.06906 135 3PX -0.01842 0.09960 0.48517 -0.90755 -0.19794 136 3PY -0.08302 0.27861 0.64277 0.11254 -0.08503 137 3PZ 0.53079 0.24585 0.90375 -0.32767 -0.21751 138 4XX 0.15862 0.09307 0.01392 0.04803 0.08436 139 4YY 0.09268 -0.09088 -0.18734 0.10928 0.01249 140 4ZZ -0.25525 -0.03804 0.15147 -0.14319 -0.00188 141 4XY 0.03433 -0.02031 0.32893 -0.16346 -0.06070 142 4XZ 0.31597 0.09005 0.41077 -0.42671 -0.02413 143 4YZ 0.11148 -0.03785 -0.06773 -0.10368 0.03737 144 14 C 1S -0.05604 0.01412 -0.02274 -0.01260 -0.00746 145 2S -0.13535 0.27724 -0.29529 -0.67663 -0.02048 146 2PX 0.01091 -0.03292 -0.00392 -0.00837 0.03704 147 2PY -0.08242 -0.03926 0.06393 0.15940 -0.00557 148 2PZ 0.07073 0.04787 0.08638 -0.03357 -0.02221 149 3S 1.63894 -0.52046 0.92355 1.33137 0.15392 150 3PX 0.09908 0.08511 -0.32193 0.36680 0.06618 151 3PY -0.40245 0.12753 -0.48648 -0.98450 -0.15578 152 3PZ 0.16317 0.24167 0.24913 -0.14976 -0.07534 153 4XX -0.37599 -0.05348 -0.01675 0.11772 0.03236 154 4YY 0.36549 0.02818 0.03807 -0.00402 -0.18702 155 4ZZ -0.02491 -0.01876 -0.00723 0.07035 0.15756 156 4XY -0.17842 0.01736 -0.06966 0.04219 0.02914 157 4XZ -0.17293 -0.02664 -0.10157 -0.03897 -0.09844 158 4YZ -0.21151 -0.08735 -0.12834 0.10919 0.05402 159 15 C 1S 0.02312 -0.00316 -0.00734 -0.00399 0.00808 160 2S 0.09862 0.06938 -0.30713 -0.10959 0.07301 161 2PX 0.01212 -0.02441 0.06982 0.07506 0.03978 162 2PY 0.01148 0.00225 -0.00268 -0.03036 -0.07377 163 2PZ -0.00490 0.00902 -0.05331 -0.03748 -0.03017 164 3S -0.79240 0.16781 0.41431 -0.71709 -0.26368 165 3PX 0.29147 -0.11874 -0.28617 0.31692 0.12810 166 3PY -0.16445 0.05113 -0.02293 -0.10314 0.01807 167 3PZ -0.25294 0.17675 0.13723 -0.37511 -0.06630 168 4XX -0.06415 -0.00727 0.09880 -0.04632 -0.02843 169 4YY 0.12251 0.01325 -0.00129 0.04092 -0.06501 170 4ZZ -0.05464 -0.02210 -0.01851 0.00892 0.08392 171 4XY -0.02762 -0.08735 0.08461 -0.05397 0.08161 172 4XZ 0.32431 -0.02689 -0.11477 -0.08611 0.00658 173 4YZ 0.08072 -0.10157 0.01059 0.01094 -0.03924 174 16 H 1S 0.18794 0.00527 0.05256 0.03149 -0.03664 175 2S -0.08765 -0.06932 -0.08889 0.07045 -0.00682 176 17 H 1S -0.31995 -0.03176 0.05165 -0.09824 0.11007 177 2S 0.12802 0.03060 -0.11458 -0.25501 0.02771 178 18 H 1S 0.08089 -0.01590 -0.46459 0.31627 -0.11674 179 2S -0.05765 -0.09456 0.07176 0.10236 0.06725 180 19 H 1S 0.07767 0.01575 0.46476 -0.31639 -0.11733 181 2S -0.05138 0.09429 -0.07200 -0.10225 0.06605 182 20 H 1S -0.32083 0.03219 -0.05170 0.09888 0.11086 183 2S 0.11804 -0.03082 0.11442 0.25486 0.02806 184 21 H 1S 0.19280 -0.00539 -0.05261 -0.03172 -0.03750 185 2S -0.08658 0.06930 0.08910 -0.07026 -0.00602 186 22 H 1S -0.13066 0.02087 0.28877 -0.42901 0.03824 187 2S -0.05894 0.07894 0.13405 -0.20602 0.15129 188 23 H 1S -0.13576 -0.02076 -0.28892 0.42914 0.03856 189 2S -0.06159 -0.07871 -0.13440 0.20585 0.15216 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64517 2.67570 2.69296 2.69442 1 1 C 1S -0.00074 0.03922 0.02972 -0.03015 0.00294 2 2S -0.05896 0.17765 0.08283 -0.10835 0.00680 3 2PX -0.10536 -0.08441 -0.01843 0.00652 0.00607 4 2PY 0.02283 0.24082 0.18953 -0.23511 0.00866 5 2PZ 0.02043 0.06675 0.03245 -0.03835 -0.02101 6 3S 0.22940 -1.67175 -1.23585 1.21158 -0.12247 7 3PX -0.08668 0.03304 0.12139 0.01734 0.00572 8 3PY 0.03839 0.89216 0.76119 -0.74961 -0.02501 9 3PZ 0.09894 -0.46045 -0.27427 0.09429 0.01538 10 4XX 0.01244 0.21760 0.22591 -0.23872 -0.00217 11 4YY -0.00117 -0.43737 -0.37453 0.48194 -0.01005 12 4ZZ 0.05087 0.17954 0.11308 -0.16670 -0.00309 13 4XY 0.01050 -0.10092 -0.03273 -0.01969 0.03084 14 4XZ -0.14166 -0.13096 0.01412 -0.02460 -0.00724 15 4YZ -0.00236 0.05013 0.13282 -0.15472 -0.02135 16 2 C 1S -0.00052 -0.03920 -0.02974 0.03031 0.00076 17 2S -0.05764 -0.17701 -0.08315 0.11006 -0.00154 18 2PX -0.10466 0.08535 0.01825 -0.00618 0.00640 19 2PY -0.02379 0.24175 0.18959 -0.23505 0.00777 20 2PZ 0.02045 -0.06652 -0.03207 0.03656 -0.02370 21 3S 0.21928 1.67018 1.23722 -1.21897 -0.03290 22 3PX -0.08534 -0.03190 -0.12153 -0.01669 0.00551 23 3PY -0.04317 0.88991 0.76040 -0.74653 0.07978 24 3PZ 0.09689 0.46060 0.27645 -0.09614 0.02420 25 4XX 0.01312 -0.21813 -0.22582 0.23786 -0.01843 26 4YY -0.00289 0.43692 0.37392 -0.48091 0.02347 27 4ZZ 0.05157 -0.17919 -0.11244 0.16519 -0.01483 28 4XY -0.01035 -0.10118 -0.03291 -0.02144 -0.02925 29 4XZ -0.14092 0.13184 -0.01492 0.02457 -0.00926 30 4YZ 0.00097 0.05202 0.13445 -0.15479 0.03209 31 3 C 1S -0.01676 0.00007 -0.00006 -0.00039 -0.01205 32 2S 0.00899 -0.00008 0.00028 -0.00130 -0.01420 33 2PX 0.06132 -0.00031 0.00028 0.00096 0.03737 34 2PY 0.00006 0.25162 0.17477 -0.26562 0.00929 35 2PZ -0.08963 0.00061 -0.00023 -0.00218 -0.06557 36 3S 0.59901 -0.00276 0.00192 0.01373 0.41469 37 3PX 0.27665 -0.00098 0.00111 0.00799 0.24175 38 3PY -0.00006 0.35155 0.23154 -0.32572 0.01137 39 3PZ -0.12381 0.00086 -0.00026 -0.00145 -0.04749 40 4XX 0.00343 0.00042 0.00012 -0.00115 -0.02286 41 4YY -0.01666 0.00009 -0.00008 0.00081 0.00869 42 4ZZ 0.00405 -0.00044 -0.00009 0.00147 0.03931 43 4XY 0.00005 0.26261 0.17516 -0.26196 0.00923 44 4XZ -0.14420 0.00070 -0.00050 -0.00287 -0.09199 45 4YZ 0.00010 -0.26593 -0.18243 0.26964 -0.00942 46 4 O 1S 0.01855 0.02768 0.01421 -0.01324 0.00139 47 2S 0.21374 0.11661 0.06615 -0.18819 0.10726 48 2PX -0.00908 -0.04485 -0.02453 0.00848 0.01125 49 2PY -0.01358 0.02124 0.01423 -0.01859 -0.00527 50 2PZ -0.00181 0.01130 0.01155 -0.01795 0.00489 51 3S -0.78625 -0.39493 -0.19613 0.50333 -0.29244 52 3PX -0.09480 0.18598 0.13865 -0.10400 0.02804 53 3PY 0.29202 0.21932 0.11497 -0.21460 0.15762 54 3PZ 0.03391 -0.07079 -0.08046 0.13242 -0.08948 55 4XX 0.04062 0.11724 0.07719 -0.05833 0.05017 56 4YY -0.06703 -0.13545 -0.09308 0.15849 -0.10520 57 4ZZ 0.11398 0.10226 0.04365 -0.08488 0.04613 58 4XY 0.05770 -0.05780 -0.08105 0.10331 -0.03798 59 4XZ 0.08976 0.20998 0.10416 -0.09155 -0.01749 60 4YZ 0.01648 0.08550 0.06937 -0.09831 0.04341 61 5 H 1S -0.05777 -0.00452 0.07085 -0.11224 -0.00560 62 2S 0.02665 -0.19632 -0.19736 0.15649 0.06117 63 6 H 1S -0.05700 0.00406 -0.07151 0.11198 -0.01320 64 2S 0.02557 0.19570 0.19789 -0.15260 0.07288 65 7 H 1S -0.03126 0.00020 -0.00020 -0.00187 -0.05769 66 2S -0.06388 0.00018 -0.00009 -0.00141 -0.03426 67 8 O 1S 0.01851 -0.02786 -0.01414 0.01328 0.00055 68 2S 0.21300 -0.11842 -0.06458 0.19378 0.09403 69 2PX -0.00917 0.04502 0.02455 -0.00765 0.01160 70 2PY 0.01341 0.02119 0.01446 -0.01863 0.00664 71 2PZ -0.00159 -0.01143 -0.01159 0.01819 0.00364 72 3S -0.78345 0.40192 0.19115 -0.51851 -0.25872 73 3PX -0.09366 -0.18548 -0.13909 0.10632 0.02062 74 3PY -0.29123 0.22200 0.11252 -0.22242 -0.14290 75 3PZ 0.03244 0.07117 0.08070 -0.13879 -0.07987 76 4XX 0.04059 -0.11753 -0.07641 0.06086 0.04630 77 4YY -0.06713 0.13533 0.09151 -0.16317 -0.09372 78 4ZZ 0.11375 -0.10263 -0.04256 0.08638 0.04010 79 4XY -0.05730 -0.05724 -0.08118 0.10615 0.03060 80 4XZ 0.08935 -0.21130 -0.10425 0.09099 -0.02353 81 4YZ -0.01708 0.08594 0.06949 -0.10163 -0.03660 82 9 H 1S -0.00072 -0.00016 -0.00001 0.00095 0.02309 83 2S 0.02556 0.00013 0.00022 0.00135 0.04216 84 10 C 1S 0.03620 -0.09134 0.00243 -0.05614 -0.02077 85 2S -0.07676 -0.29555 0.03092 -0.05983 0.08342 86 2PX 0.27656 -0.11565 -0.01076 -0.03471 -0.16075 87 2PY 0.27675 0.18442 -0.12174 0.22430 -0.04195 88 2PZ -0.20665 0.07129 0.02482 0.05128 0.16096 89 3S -0.94739 4.83741 -0.18355 2.12069 0.87290 90 3PX 0.41007 -1.32339 -0.09806 -0.46035 -0.31943 91 3PY 0.05849 1.45592 -0.45589 0.72983 -0.43199 92 3PZ -0.38814 1.40993 0.32055 0.37718 0.27272 93 4XX -0.07552 -0.19361 -0.09694 -0.36708 0.14417 94 4YY -0.08825 0.44816 -0.24072 0.43733 -0.22491 95 4ZZ 0.16275 -0.23891 0.26508 -0.09120 0.20013 96 4XY -0.31779 -0.10221 0.11005 -0.11192 0.10895 97 4XZ 0.23973 -0.46471 -0.11104 -0.18917 -0.38821 98 4YZ 0.24473 0.23593 -0.32470 -0.28346 -0.12750 99 11 C 1S -0.05656 0.05200 0.01594 -0.00471 -0.00402 100 2S 0.00864 0.62640 0.01405 0.19164 -0.07533 101 2PX 0.17997 -0.13291 -0.07432 -0.14829 -0.18073 102 2PY 0.15259 0.03906 -0.04984 0.03237 -0.06961 103 2PZ -0.10533 0.11461 0.06748 0.13034 0.25660 104 3S 1.48646 -3.28694 -0.56417 -0.85847 -0.09565 105 3PX 0.28912 -0.49584 -0.24041 -0.11765 -0.61265 106 3PY 0.66323 -1.77098 -0.22547 -0.51092 -0.00249 107 3PZ -0.09794 0.14019 -0.18498 0.13450 0.86142 108 4XX 0.03672 0.08800 -0.19036 -0.30842 -0.20068 109 4YY -0.39024 -0.18192 -0.02261 -0.14648 -0.24136 110 4ZZ 0.29625 0.00285 0.14674 0.35563 0.38516 111 4XY 0.19837 -0.21246 -0.07164 -0.10481 -0.43256 112 4XZ -0.63412 0.23630 0.05465 0.08949 0.03309 113 4YZ -0.18531 0.10362 -0.17725 -0.00803 0.52166 114 12 C 1S 0.02329 -0.02598 0.04816 0.00042 0.04175 115 2S 0.03930 0.03564 0.01565 -0.29163 -0.03113 116 2PX -0.04949 0.01458 -0.02180 0.00685 -0.06598 117 2PY 0.11889 0.01531 -0.20907 0.02206 0.08215 118 2PZ 0.11419 -0.11253 -0.02021 0.07595 0.18149 119 3S -0.48354 1.44771 -0.83224 0.86443 -0.83759 120 3PX 0.03018 0.28938 0.31646 -0.25969 -0.06156 121 3PY -0.03902 0.42432 -0.69409 0.43964 0.18432 122 3PZ 0.33056 -0.32443 -0.11420 -0.20141 0.46945 123 4XX 0.20318 -0.12057 0.36992 0.13477 0.22120 124 4YY -0.04332 0.07539 -0.65203 0.02778 0.13108 125 4ZZ -0.11347 -0.03869 0.40651 -0.04436 -0.29200 126 4XY -0.00254 0.01517 0.08569 0.16386 0.07109 127 4XZ 0.00026 0.04206 -0.02712 0.14129 0.15824 128 4YZ -0.20640 -0.04354 -0.12030 -0.33952 -0.24101 129 13 C 1S 0.02360 0.02583 -0.04794 0.00254 0.04185 130 2S 0.04033 -0.03680 -0.01579 0.28786 -0.05223 131 2PX -0.04965 -0.01430 0.02146 -0.01150 -0.06504 132 2PY -0.11817 0.01585 -0.20982 0.01663 -0.08336 133 2PZ 0.11413 0.11221 0.02086 -0.06270 0.18665 134 3S -0.49556 -1.44365 0.82790 -0.92089 -0.77613 135 3PX 0.03288 -0.28903 -0.31636 0.25420 -0.08009 136 3PY 0.04424 0.42308 -0.69474 0.42446 -0.21507 137 3PZ 0.33272 0.32243 0.11597 0.23357 0.45294 138 4XX 0.20482 0.11975 -0.36858 -0.11903 0.23229 139 4YY -0.04674 -0.07517 0.65270 -0.01713 0.13037 140 4ZZ -0.11124 0.03927 -0.40802 0.02274 -0.29340 141 4XY 0.00366 0.01510 0.08479 0.15802 -0.08323 142 4XZ -0.00097 -0.04260 0.02787 -0.12921 0.16681 143 4YZ 0.20582 -0.04456 -0.11680 -0.32192 0.26679 144 14 C 1S -0.05668 -0.05166 -0.01620 0.00460 -0.00432 145 2S 0.00631 -0.62598 -0.01423 -0.19693 -0.06166 146 2PX 0.18093 0.13197 0.07446 0.13414 -0.19127 147 2PY -0.15179 0.04011 -0.04995 0.03820 0.06662 148 2PZ -0.10611 -0.11406 -0.06728 -0.11081 0.26566 149 3S 1.49862 3.27647 0.56976 0.84359 -0.15767 150 3PX 0.29105 0.49635 0.24102 0.07187 -0.62028 151 3PY -0.66991 -1.76543 -0.22876 -0.50629 0.03719 152 3PZ -0.10024 -0.14214 0.18706 -0.07234 0.86933 153 4XX 0.03643 -0.08673 0.19041 0.29365 -0.22442 154 4YY -0.39045 0.18167 0.02019 0.12859 -0.24922 155 4ZZ 0.29681 -0.00359 -0.14489 -0.32721 0.40976 156 4XY -0.19767 -0.21116 -0.07113 -0.07164 0.43928 157 4XZ -0.63589 -0.23373 -0.05728 -0.08517 0.04123 158 4YZ 0.18413 0.10273 -0.17788 -0.04546 -0.52050 159 15 C 1S 0.03680 0.09115 -0.00234 0.05437 -0.02485 160 2S -0.07491 0.29597 -0.03131 0.06563 0.07932 161 2PX 0.27727 0.11417 0.01169 0.02216 -0.16310 162 2PY -0.27388 0.18591 -0.12284 0.22748 0.02533 163 2PZ -0.20713 -0.06998 -0.02559 -0.03849 0.16431 164 3S -0.97472 -4.83090 0.18214 -2.04763 1.02379 165 3PX 0.41671 1.31992 0.09921 0.43369 -0.35258 166 3PY -0.04633 1.46000 -0.45432 0.76072 0.37836 167 3PZ -0.39373 -1.40459 -0.32197 -0.35331 0.30004 168 4XX -0.07536 0.19383 0.09696 0.37684 0.11714 169 4YY -0.09154 -0.44891 0.24072 -0.45214 -0.19361 170 4ZZ 0.16567 0.23953 -0.26472 0.10504 0.19345 171 4XY 0.31756 -0.10363 0.11081 -0.11958 -0.09995 172 4XZ 0.24231 0.46266 0.11150 0.15945 -0.40186 173 4YZ -0.24260 0.23625 -0.32435 -0.27353 0.14743 174 16 H 1S -0.10025 -0.20974 0.07940 -0.01268 -0.11786 175 2S -0.07713 0.56218 -0.02361 0.13222 0.09973 176 17 H 1S 0.20386 0.05722 0.01544 0.07366 0.12119 177 2S 0.03350 -0.33828 -0.13675 -0.13297 -0.05349 178 18 H 1S -0.02397 -0.01156 -0.07790 -0.17041 -0.02875 179 2S 0.04236 0.05067 0.15054 -0.06394 -0.04421 180 19 H 1S -0.02338 0.01125 0.07774 0.16755 -0.04182 181 2S 0.04329 -0.05028 -0.15063 0.06076 -0.04828 182 20 H 1S 0.20365 -0.05725 -0.01382 -0.06463 0.12636 183 2S 0.03450 0.33714 0.13673 0.12807 -0.06314 184 21 H 1S -0.09935 0.20986 -0.08014 0.00409 -0.11843 185 2S -0.08001 -0.56140 0.02364 -0.12412 0.10881 186 22 H 1S -0.06347 -0.07348 -0.10693 -0.09026 -0.03257 187 2S -0.05774 -0.03233 -0.01707 0.15707 -0.03747 188 23 H 1S -0.06365 0.07381 0.10656 0.08801 -0.03895 189 2S -0.05860 0.03270 0.01677 -0.15883 -0.02535 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76595 2.80387 2.86686 2.87993 1 1 C 1S -0.02040 0.02621 -0.10188 0.01586 0.02801 2 2S -0.15217 -0.09031 -0.64236 -0.06176 -0.18651 3 2PX -0.04606 0.25707 -0.27619 -0.09544 0.32181 4 2PY 0.13866 -0.17856 -0.23398 0.28276 -0.08258 5 2PZ 0.05881 -0.16168 0.03030 0.07310 -0.22865 6 3S 1.07925 -0.61491 5.68266 -0.43089 -0.96875 7 3PX -0.11838 0.19025 -0.75590 -0.02163 0.37035 8 3PY -0.03122 -0.16086 -2.30750 0.29593 -0.32775 9 3PZ 0.50556 -0.19978 1.89255 0.01329 -0.33074 10 4XX 0.21069 -0.03838 -0.18596 0.23077 -0.22146 11 4YY -0.32774 -0.04384 0.47879 -0.55600 0.21636 12 4ZZ 0.03566 0.09103 -0.12017 0.30707 -0.07984 13 4XY -0.04247 0.25705 -0.00709 0.44683 0.13173 14 4XZ -0.00884 0.18815 -0.42115 -0.10582 0.37871 15 4YZ 0.05361 -0.18948 -0.38872 -0.50551 -0.10457 16 2 C 1S 0.02047 0.02603 0.10186 -0.01590 0.02804 17 2S 0.15057 -0.09250 0.64178 0.06158 -0.18683 18 2PX 0.04751 0.25693 0.27622 0.09531 0.32214 19 2PY 0.13925 0.17840 -0.23322 0.28254 0.08277 20 2PZ -0.05943 -0.16142 -0.03114 -0.07231 -0.22892 21 3S -1.08086 -0.60440 -5.68224 0.43174 -0.97149 22 3PX 0.11882 0.18860 0.75613 0.02165 0.36989 23 3PY -0.02789 0.16284 -2.30451 0.29569 0.32746 24 3PZ -0.50518 -0.19451 -1.89806 -0.01265 -0.33065 25 4XX -0.21048 -0.03640 0.18675 -0.23064 -0.22074 26 4YY 0.32748 -0.04615 -0.47783 0.55798 0.21487 27 4ZZ -0.03520 0.09108 0.11852 -0.30935 -0.07947 28 4XY -0.04372 -0.25545 -0.00859 0.44792 -0.13316 29 4XZ 0.00925 0.18743 0.42179 0.10702 0.37880 30 4YZ 0.05563 0.18798 -0.39048 -0.50401 0.10533 31 3 C 1S 0.00004 0.02773 0.00011 -0.00005 -0.07866 32 2S 0.00063 -0.01875 -0.00055 -0.00012 0.25252 33 2PX 0.00017 -0.05931 -0.00042 0.00009 0.29583 34 2PY 0.39083 -0.00268 0.51815 -0.34035 0.00066 35 2PZ 0.00022 0.07556 0.00099 -0.00035 -0.32715 36 3S -0.00084 -0.75676 -0.00250 0.00125 2.15245 37 3PX 0.00022 -0.00933 -0.00079 -0.00016 0.37843 38 3PY 0.38411 -0.00252 0.28893 -0.32210 0.00045 39 3PZ -0.00008 -0.03194 0.00022 -0.00013 -0.35519 40 4XX 0.00094 0.39423 0.00042 -0.00065 -0.35308 41 4YY -0.00157 -0.74228 -0.00014 0.00089 0.56672 42 4ZZ 0.00059 0.40235 0.00002 -0.00029 -0.24817 43 4XY 0.35246 -0.00170 0.39848 -0.12379 0.00014 44 4XZ -0.00037 -0.14355 0.00063 0.00020 -0.16513 45 4YZ -0.31658 0.00086 -0.32456 0.27959 0.00072 46 4 O 1S 0.02189 -0.04869 0.03122 -0.03029 0.00139 47 2S 0.42687 -0.33132 0.85316 -0.04192 0.00718 48 2PX 0.00656 -0.00124 0.05079 0.02981 -0.04386 49 2PY 0.00582 -0.07710 -0.04183 -0.02971 -0.05007 50 2PZ 0.01058 0.00298 -0.01571 -0.02242 0.03255 51 3S -1.35429 1.36064 -2.86031 0.44170 -0.02148 52 3PX -0.11280 0.25806 -0.65509 -0.17973 1.07628 53 3PY 0.45728 -0.17422 0.96709 -0.06305 0.44224 54 3PZ -0.05615 -0.12500 0.17280 0.15449 -0.86833 55 4XX 0.07490 0.23262 -0.02408 0.04069 0.31477 56 4YY -0.17318 -0.51058 -0.23121 -0.14927 -0.30505 57 4ZZ 0.09979 0.06805 0.25501 -0.07329 0.05499 58 4XY -0.11062 0.11700 0.06529 0.43265 -0.64989 59 4XZ 0.15907 -0.60916 0.23949 -0.17526 -0.18701 60 4YZ 0.13688 -0.14230 0.12906 -0.28860 0.54268 61 5 H 1S 0.04889 -0.02825 -0.24980 -0.27578 0.05022 62 2S -0.03997 0.05112 0.71590 0.10412 0.01795 63 6 H 1S -0.04890 -0.02712 0.25056 0.27636 0.05051 64 2S 0.04089 0.05110 -0.71728 -0.10456 0.01781 65 7 H 1S -0.00032 -0.09322 0.00000 0.00017 -0.05894 66 2S 0.00060 0.22025 0.00061 -0.00042 -0.15268 67 8 O 1S -0.02208 -0.04837 -0.03132 0.03046 0.00135 68 2S -0.42740 -0.32726 -0.85491 0.04191 0.00670 69 2PX -0.00661 -0.00134 -0.05068 -0.03000 -0.04381 70 2PY 0.00647 0.07688 -0.04201 -0.02997 0.05007 71 2PZ -0.01046 0.00327 0.01558 0.02249 0.03258 72 3S 1.35766 1.34642 2.86604 -0.44361 -0.01952 73 3PX 0.11375 0.25809 0.65447 0.18022 1.07670 74 3PY 0.45606 0.16977 0.97022 -0.06255 -0.43970 75 3PZ 0.05605 -0.12621 -0.17070 -0.15491 -0.86952 76 4XX -0.07318 0.23336 0.02358 -0.04101 0.31446 77 4YY 0.16908 -0.51250 0.23121 0.15227 -0.30303 78 4ZZ -0.09829 0.06986 -0.25481 0.07163 0.05327 79 4XY -0.11112 -0.11307 0.06505 0.43329 0.65026 80 4XZ -0.16232 -0.60749 -0.24054 0.17763 -0.18637 81 4YZ 0.13789 0.13845 0.13058 -0.28937 -0.54338 82 9 H 1S -0.00024 -0.07781 -0.00012 0.00010 0.00242 83 2S 0.00037 0.16848 0.00006 -0.00034 -0.15178 84 10 C 1S 0.03643 0.00310 0.00782 0.00507 0.00692 85 2S 0.29454 0.05921 0.04145 -0.01543 0.13534 86 2PX 0.12040 0.00258 0.03294 0.00524 0.01203 87 2PY 0.19088 0.00754 0.00842 -0.03250 0.04056 88 2PZ -0.08415 -0.01734 -0.01735 0.00478 -0.02922 89 3S -3.14683 -0.19868 -1.03477 -0.26875 -0.42590 90 3PX 1.23047 0.07934 0.40671 0.03803 0.19580 91 3PY -0.53477 0.05397 -0.22230 -0.14425 0.04448 92 3PZ -1.31530 -0.01923 -0.38902 -0.03337 -0.09488 93 4XX -0.22835 -0.02221 0.00535 0.01811 -0.04954 94 4YY 0.29265 0.00169 -0.00569 -0.04837 -0.01507 95 4ZZ -0.05867 -0.00923 -0.01541 0.05290 0.00241 96 4XY -0.06509 -0.00886 0.03108 0.01537 -0.02477 97 4XZ 0.34549 0.03649 0.02861 -0.03098 0.06136 98 4YZ -0.19995 0.00549 0.01922 -0.04922 0.01972 99 11 C 1S -0.07986 -0.00404 -0.01694 -0.00219 -0.01092 100 2S -0.83749 -0.03205 -0.48244 -0.16633 -0.07334 101 2PX 0.12903 0.01635 0.04262 -0.00106 0.02483 102 2PY 0.01624 0.00277 -0.08052 -0.02812 0.00851 103 2PZ 0.01721 -0.01854 -0.09835 0.04602 -0.02246 104 3S 4.27977 0.15031 1.05661 0.35900 0.44532 105 3PX 0.17118 0.02276 0.05156 -0.08387 0.04759 106 3PY 1.92124 0.02541 0.68669 0.18276 0.15644 107 3PZ 0.39848 -0.11425 -0.18523 0.05364 -0.17518 108 4XX -0.24058 0.02718 0.18533 -0.02004 0.03304 109 4YY 0.17021 0.01083 0.00248 0.02491 0.00321 110 4ZZ 0.29028 -0.03112 -0.05352 0.06309 -0.02636 111 4XY 0.19856 0.02961 -0.03047 -0.01947 0.04614 112 4XZ -0.28962 0.00014 0.04653 -0.01717 -0.03651 113 4YZ 0.07321 -0.02841 -0.12952 0.04433 -0.04074 114 12 C 1S 0.03531 -0.00453 -0.01176 0.00773 -0.00607 115 2S 0.21567 -0.04725 -0.27640 0.03920 0.02164 116 2PX -0.06109 0.00932 0.05054 -0.01281 -0.01701 117 2PY 0.12100 -0.01067 -0.04013 0.01735 0.00840 118 2PZ 0.20604 -0.00145 0.06661 0.02584 -0.00332 119 3S -2.28406 0.13060 0.19969 -0.33618 0.04028 120 3PX -0.34399 -0.02989 -0.49658 0.02460 0.05163 121 3PY 0.20978 -0.01840 -0.04608 -0.02007 -0.04590 122 3PZ 0.97338 -0.04807 -0.40416 0.15980 0.01686 123 4XX 0.01226 -0.00316 0.06143 0.01236 -0.01483 124 4YY 0.35576 -0.00893 -0.13335 0.04045 -0.02567 125 4ZZ -0.36222 0.02051 0.14068 -0.04843 0.00350 126 4XY 0.04674 -0.00764 -0.04521 0.00379 -0.02322 127 4XZ 0.17594 0.00215 -0.08629 0.02033 0.01332 128 4YZ -0.15710 0.01579 0.03226 -0.01509 0.01012 129 13 C 1S -0.03528 -0.00437 0.01176 -0.00770 -0.00607 130 2S -0.21492 -0.04611 0.27635 -0.03897 0.02162 131 2PX 0.06083 0.00907 -0.05045 0.01272 -0.01714 132 2PY 0.12114 0.01026 -0.03995 0.01735 -0.00870 133 2PZ -0.20583 -0.00047 -0.06670 -0.02570 -0.00314 134 3S 2.28222 0.11846 -0.19902 0.33487 0.04014 135 3PX 0.34252 -0.03168 0.49670 -0.02475 0.05205 136 3PY 0.21182 0.01803 -0.04653 -0.02013 0.04475 137 3PZ -0.97183 -0.04361 0.40332 -0.15939 0.01800 138 4XX -0.01255 -0.00320 -0.06126 -0.01234 -0.01500 139 4YY -0.35518 -0.00756 0.13328 -0.04034 -0.02479 140 4ZZ 0.36163 0.01909 -0.14072 0.04822 0.00273 141 4XY 0.04713 0.00776 -0.04533 0.00382 0.02312 142 4XZ -0.17480 0.00276 0.08602 -0.02011 0.01371 143 4YZ -0.15847 -0.01564 0.03264 -0.01510 -0.01004 144 14 C 1S 0.07980 -0.00441 0.01703 0.00218 -0.01091 145 2S 0.83718 -0.03699 0.48212 0.16633 -0.07340 146 2PX -0.12912 0.01715 -0.04230 0.00103 0.02446 147 2PY 0.01595 -0.00256 -0.08058 -0.02806 -0.00823 148 2PZ -0.01708 -0.01874 0.09854 -0.04601 -0.02200 149 3S -4.27593 0.17247 -1.05837 -0.35859 0.44460 150 3PX -0.17370 0.02327 -0.05220 0.08345 0.04661 151 3PY 1.91975 -0.03576 0.68756 0.18260 -0.15614 152 3PZ -0.39572 -0.11244 0.18573 -0.05249 -0.17378 153 4XX 0.23923 0.02696 -0.18592 0.01999 0.03282 154 4YY -0.16875 0.01172 -0.00158 -0.02505 0.00295 155 4ZZ -0.29019 -0.03032 0.05338 -0.06287 -0.02602 156 4XY 0.19880 -0.03057 -0.03044 -0.01933 -0.04561 157 4XZ 0.28910 -0.00137 -0.04582 0.01680 -0.03654 158 4YZ 0.07368 0.02819 -0.12965 0.04417 0.03985 159 15 C 1S -0.03643 0.00336 -0.00786 -0.00507 0.00696 160 2S -0.29364 0.06069 -0.04153 0.01534 0.13552 161 2PX -0.12058 0.00323 -0.03313 -0.00519 0.01183 162 2PY 0.19031 -0.00805 0.00865 -0.03255 -0.03980 163 2PZ 0.08436 -0.01786 0.01765 -0.00480 -0.02904 164 3S 3.14435 -0.21727 1.03534 0.26920 -0.42706 165 3PX -1.22932 0.08597 -0.40707 -0.03806 0.19499 166 3PY -0.53801 -0.04963 -0.22357 -0.14404 -0.04156 167 3PZ 1.31313 -0.02588 0.38886 0.03303 -0.09409 168 4XX 0.22860 -0.02271 -0.00549 -0.01800 -0.04902 169 4YY -0.29246 0.00239 0.00583 0.04845 -0.01606 170 4ZZ 0.05768 -0.00939 0.01546 -0.05303 0.00290 171 4XY -0.06383 0.00876 0.03091 0.01526 0.02421 172 4XZ -0.34490 0.03827 -0.02885 0.03103 0.06089 173 4YZ -0.20090 -0.00491 0.01946 -0.04902 -0.01912 174 16 H 1S 0.12376 0.02173 -0.01167 0.00239 0.02002 175 2S -0.42567 0.00073 -0.13478 -0.01613 -0.02756 176 17 H 1S -0.11661 -0.02535 0.04130 -0.01883 -0.02170 177 2S 0.44651 0.01539 0.11985 0.05353 0.03656 178 18 H 1S 0.09132 0.00527 -0.11183 0.02479 0.02006 179 2S 0.08217 -0.05665 -0.10180 0.00553 0.00215 180 19 H 1S -0.09107 0.00582 0.11180 -0.02474 0.02023 181 2S -0.08295 -0.05608 0.10173 -0.00530 0.00226 182 20 H 1S 0.11582 -0.02593 -0.04167 0.01883 -0.02163 183 2S -0.44573 0.01792 -0.11991 -0.05346 0.03669 184 21 H 1S -0.12355 0.02234 0.01173 -0.00246 0.02013 185 2S 0.42527 -0.00150 0.13492 0.01607 -0.02759 186 22 H 1S 0.08217 -0.00756 0.06377 0.00164 -0.02111 187 2S 0.07234 0.01762 0.22406 -0.01486 -0.02793 188 23 H 1S -0.08228 -0.00701 -0.06367 -0.00164 -0.02122 189 2S -0.07237 0.01805 -0.22390 0.01489 -0.02821 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10579 3.13118 4.00625 4.10573 1 1 C 1S 0.01519 -0.05503 0.02323 -0.01599 0.08373 2 2S 0.20127 -0.14411 0.05624 0.24818 -0.77615 3 2PX 0.01410 -0.40496 0.06188 0.05299 -0.15522 4 2PY 0.06660 0.23553 -0.04000 -0.04185 -0.10363 5 2PZ 0.03143 0.19929 -0.03812 -0.00453 0.06216 6 3S -1.13189 2.85876 -1.07747 -0.87358 2.53750 7 3PX 0.19077 -1.00635 0.26764 0.33995 -1.11871 8 3PY 0.49058 -0.28974 0.34464 -0.07239 -0.49335 9 3PZ -0.48523 1.49308 -0.47266 -0.33735 1.34267 10 4XX 0.03905 0.30805 -0.04783 -0.04456 0.40942 11 4YY -0.12604 -0.24567 0.04012 -0.07774 0.50799 12 4ZZ 0.00492 -0.00924 0.03485 -0.05367 0.37861 13 4XY 0.02536 -0.44089 0.06496 -0.08585 0.01256 14 4XZ 0.03108 -0.47135 0.07893 0.05432 -0.12132 15 4YZ -0.01467 0.33414 -0.07153 0.06438 -0.03949 16 2 C 1S -0.01525 0.05489 -0.02323 -0.01573 -0.08209 17 2S -0.20054 0.14311 -0.05584 0.24602 0.76439 18 2PX -0.01469 0.40500 -0.06193 0.05274 0.15466 19 2PY 0.06650 0.23619 -0.04000 0.04202 -0.10401 20 2PZ -0.03079 -0.19924 0.03814 -0.00422 -0.06221 21 3S 1.13341 -2.85695 1.07727 -0.87218 -2.54149 22 3PX -0.19135 1.00628 -0.26756 0.33919 1.11946 23 3PY 0.48886 -0.28719 0.34335 0.07274 -0.49061 24 3PZ 0.48650 -1.49326 0.47308 -0.33684 -1.34410 25 4XX -0.03878 -0.30753 0.04763 -0.04330 -0.40199 26 4YY 0.12570 0.24440 -0.03998 -0.07622 -0.50166 27 4ZZ -0.00489 0.00984 -0.03502 -0.05261 -0.37204 28 4XY 0.02591 -0.44197 0.06514 0.08602 0.01233 29 4XZ -0.03183 0.47029 -0.07873 0.05442 0.12124 30 4YZ -0.01444 0.33473 -0.07154 -0.06476 -0.03989 31 3 C 1S 0.00004 -0.00002 0.00000 -0.11845 -0.00038 32 2S -0.00022 -0.00001 -0.00003 0.95148 0.00178 33 2PX -0.00022 0.00008 -0.00003 -0.13757 -0.00004 34 2PY -0.14721 -0.36047 0.02399 -0.00010 0.06087 35 2PZ 0.00007 -0.00031 0.00001 0.11876 0.00021 36 3S -0.00144 0.00019 0.00003 -2.06040 0.00189 37 3PX 0.00006 0.00008 0.00014 -0.55640 0.00002 38 3PY -0.11067 -0.80262 0.11838 -0.00077 0.41054 39 3PZ 0.00031 -0.00095 0.00017 0.60134 -0.00001 40 4XX 0.00019 0.00001 -0.00001 -0.55717 -0.00132 41 4YY -0.00045 -0.00058 0.00007 -0.37547 -0.00158 42 4ZZ 0.00024 0.00048 -0.00006 -0.55294 -0.00119 43 4XY -0.09555 -0.36575 0.03359 -0.00002 -0.04189 44 4XZ 0.00001 -0.00042 0.00002 0.05093 -0.00019 45 4YZ 0.09443 0.34640 -0.03858 0.00012 0.11129 46 4 O 1S -0.00778 -0.00148 0.00815 -0.38242 0.39993 47 2S -0.14667 0.41035 -0.13678 -0.38962 0.57609 48 2PX 0.00768 -0.00732 -0.00149 -0.05585 0.07584 49 2PY 0.00956 0.02950 -0.00258 0.13506 -0.17057 50 2PZ -0.00772 0.00937 -0.00617 0.02070 -0.00400 51 3S 0.59089 -1.45568 0.41004 4.65595 -5.24096 52 3PX 0.06160 -1.37010 0.28334 0.18100 -0.81951 53 3PY -0.20503 -0.03506 -0.06777 -0.95564 0.82466 54 3PZ 0.02874 0.98115 -0.16684 -0.01713 0.39278 55 4XX 0.00119 -0.50080 0.12363 -1.23365 1.20264 56 4YY 0.04129 0.38836 -0.02805 -1.13442 1.25945 57 4ZZ -0.04691 -0.13410 0.04525 -1.29875 1.35522 58 4XY 0.04453 0.42450 -0.07230 0.03978 0.14555 59 4XZ -0.02067 0.40084 -0.06611 -0.08309 0.23321 60 4YZ -0.07303 -0.37992 0.05786 -0.08558 -0.07070 61 5 H 1S -0.01805 0.14796 -0.05665 0.08760 -0.07056 62 2S -0.14513 0.20816 -0.09801 -0.04060 0.40037 63 6 H 1S 0.01783 -0.14802 0.05657 0.08758 0.06978 64 2S 0.14513 -0.20866 0.09797 -0.04079 -0.39955 65 7 H 1S -0.00001 0.00004 -0.00003 0.22974 0.00016 66 2S 0.00005 0.00009 -0.00003 -0.03663 -0.00035 67 8 O 1S 0.00778 0.00146 -0.00816 -0.38201 -0.40016 68 2S 0.14703 -0.40983 0.13676 -0.38911 -0.57624 69 2PX -0.00756 0.00757 0.00146 -0.05578 -0.07611 70 2PY 0.00940 0.02960 -0.00261 -0.13497 -0.17072 71 2PZ 0.00772 -0.00944 0.00616 0.02048 0.00402 72 3S -0.59174 1.45527 -0.41003 4.65113 5.24390 73 3PX -0.06354 1.36932 -0.28319 0.17978 0.81892 74 3PY -0.20444 -0.03279 -0.06816 0.95503 0.82611 75 3PZ -0.02775 -0.98163 0.16685 -0.01490 -0.39162 76 4XX -0.00183 0.50000 -0.12353 -1.23263 -1.20423 77 4YY -0.04047 -0.38693 0.02777 -1.13332 -1.25955 78 4ZZ 0.04642 0.13340 -0.04526 -1.29711 -1.35637 79 4XY 0.04359 0.42545 -0.07241 -0.03983 0.14541 80 4XZ 0.02133 -0.40001 0.06598 -0.08277 -0.23240 81 4YZ -0.07242 -0.38150 0.05808 0.08602 -0.07030 82 9 H 1S 0.00008 -0.00001 0.00002 0.22760 0.00009 83 2S 0.00022 -0.00010 0.00008 0.00603 -0.00048 84 10 C 1S 0.00098 0.00433 -0.05716 -0.03376 -0.00812 85 2S -0.02764 0.22690 0.08205 0.31025 0.38983 86 2PX 0.17658 -0.01772 -0.08625 0.02373 0.02803 87 2PY 0.40596 -0.01751 0.07846 0.03280 -0.02167 88 2PZ -0.16351 -0.00499 0.04937 -0.03622 -0.03571 89 3S 0.11088 -1.02755 2.10682 -0.18797 -1.45365 90 3PX 0.67960 0.37072 -0.62028 0.11942 0.55495 91 3PY 1.46997 -0.34269 0.58751 0.03509 -0.60780 92 3PZ -0.45908 -0.21269 0.71574 -0.05035 -0.45568 93 4XX -0.35248 -0.04156 -0.14096 -0.18775 -0.14675 94 4YY 0.64413 -0.00410 0.38904 -0.14205 -0.21830 95 4ZZ -0.26132 -0.05636 -0.35690 -0.15335 -0.09696 96 4XY -0.27817 0.13541 0.55047 -0.01530 -0.01988 97 4XZ 0.38689 0.03632 -0.02751 0.03902 0.07215 98 4YZ 0.31129 -0.08224 -0.45002 0.01225 0.04286 99 11 C 1S -0.00268 -0.00732 0.05164 0.01881 0.02679 100 2S 0.22329 -0.37752 0.09994 -0.25494 -0.58483 101 2PX 0.21122 0.01245 -0.17934 0.02142 0.05965 102 2PY 0.14454 -0.05424 -0.05588 -0.00589 -0.00041 103 2PZ -0.24013 -0.02615 0.11052 -0.02749 -0.03781 104 3S 0.36150 0.85207 -1.91578 0.29084 1.22916 105 3PX 0.85922 -0.08797 -0.11678 0.05114 -0.09067 106 3PY -0.03399 0.47466 -0.86125 0.18098 0.81124 107 3PZ -1.13000 0.03598 -0.21970 -0.07105 0.20601 108 4XX 0.15666 0.07155 -0.09802 0.13855 0.26289 109 4YY 0.04419 0.11078 0.46059 0.10359 0.20360 110 4ZZ -0.17179 -0.02600 -0.34401 0.09673 0.23442 111 4XY 0.39116 -0.01026 0.01618 0.03128 0.01392 112 4XZ -0.17175 0.07746 0.44789 -0.01473 -0.08619 113 4YZ -0.46140 0.01169 0.00174 -0.04407 0.00792 114 12 C 1S -0.00108 -0.00689 -0.03694 0.06655 0.01688 115 2S 0.06646 -0.19550 0.03004 -0.46123 0.06394 116 2PX 0.03458 0.02764 0.02581 0.01907 -0.03806 117 2PY -0.12617 0.00893 -0.05810 -0.02750 0.01913 118 2PZ -0.12807 0.05873 -0.14399 0.00922 0.03101 119 3S 0.24533 0.11468 1.19831 -0.20529 -0.87191 120 3PX 0.09411 -0.34131 0.16203 -0.12604 -0.03472 121 3PY -0.72587 0.15679 0.02090 0.03516 -0.17332 122 3PZ -0.55428 -0.09806 -0.32388 0.00201 0.47676 123 4XX 0.01187 0.01188 -0.20110 0.28898 0.05506 124 4YY -0.36549 0.06421 -0.00140 0.24104 0.00365 125 4ZZ 0.34545 0.00601 0.07893 0.24876 -0.03952 126 4XY -0.04016 -0.02400 -0.06263 -0.00048 -0.00706 127 4XZ -0.11593 -0.00300 0.01300 0.02080 0.06529 128 4YZ 0.10514 0.03789 0.31218 -0.00156 -0.01860 129 13 C 1S 0.00106 0.00690 0.03687 0.06645 -0.01544 130 2S -0.06625 0.19574 -0.02990 -0.46026 -0.07276 131 2PX -0.03429 -0.02770 -0.02555 0.01898 0.03801 132 2PY -0.12643 0.00899 -0.05811 0.02753 0.01926 133 2PZ 0.12776 -0.05874 0.14367 0.00926 -0.03072 134 3S -0.24465 -0.11465 -1.19726 -0.20641 0.86753 135 3PX -0.09352 0.34145 -0.16150 -0.12580 0.03427 136 3PY -0.72645 0.15688 0.02030 -0.03457 -0.17278 137 3PZ 0.55309 0.09814 0.32351 0.00257 -0.47765 138 4XX -0.01164 -0.01190 0.20095 0.28850 -0.04945 139 4YY 0.36499 -0.06428 0.00044 0.24052 0.00128 140 4ZZ -0.34528 -0.00601 -0.07808 0.24836 0.04493 141 4XY -0.04043 -0.02388 -0.06222 0.00050 -0.00709 142 4XZ 0.11537 0.00293 -0.01376 0.02084 -0.06500 143 4YZ 0.10646 0.03776 0.31203 0.00147 -0.01841 144 14 C 1S 0.00271 0.00740 -0.05159 0.01867 -0.02543 145 2S -0.22319 0.37731 -0.10016 -0.25482 0.57621 146 2PX -0.21140 -0.01223 0.17924 0.02144 -0.05987 147 2PY 0.14382 -0.05429 -0.05526 0.00602 -0.00019 148 2PZ 0.24007 0.02628 -0.11039 -0.02750 0.03781 149 3S -0.36157 -0.85306 1.91397 0.29410 -1.23287 150 3PX -0.85890 0.08782 0.11786 0.05187 0.08939 151 3PY -0.03661 0.47517 -0.86045 -0.18264 0.81102 152 3PZ 1.12960 -0.03554 0.21843 -0.07191 -0.20471 153 4XX -0.15780 -0.07193 0.09837 0.13843 -0.25828 154 4YY -0.04186 -0.11032 -0.46029 0.10307 -0.19801 155 4ZZ 0.17074 0.02631 0.34346 0.09646 -0.22975 156 4XY 0.39054 -0.00996 0.01756 -0.03132 0.01398 157 4XZ 0.17330 -0.07741 -0.44702 -0.01497 0.08658 158 4YZ -0.46123 0.01135 -0.00045 0.04411 0.00827 159 15 C 1S -0.00100 -0.00437 0.05711 -0.03380 0.00971 160 2S 0.02710 -0.22672 -0.08193 0.31126 -0.40110 161 2PX -0.17698 0.01767 0.08599 0.02380 -0.02789 162 2PY 0.40564 -0.01744 0.07917 -0.03263 -0.02149 163 2PZ 0.16386 0.00512 -0.04899 -0.03628 0.03543 164 3S -0.11115 1.02774 -2.10565 -0.19135 1.45129 165 3PX -0.68143 -0.37062 0.61950 0.12111 -0.55498 166 3PY 1.46792 -0.34341 0.58907 -0.03444 -0.60895 167 3PZ 0.46120 0.21203 -0.71413 -0.05158 0.45513 168 4XX 0.35330 0.04123 0.13974 -0.18822 0.15313 169 4YY -0.64521 0.00447 -0.38669 -0.14241 0.22400 170 4ZZ 0.26163 0.05607 0.35558 -0.15366 0.10326 171 4XY -0.27667 0.13551 0.55072 0.01521 -0.01972 172 4XZ -0.38752 -0.03612 0.02853 0.03920 -0.07225 173 4YZ 0.30920 -0.08226 -0.45089 -0.01223 0.04285 174 16 H 1S 0.00038 0.07460 0.29573 0.03215 -0.00523 175 2S 0.02809 -0.12664 0.07936 -0.03792 -0.21839 176 17 H 1S -0.03111 -0.04432 -0.20529 -0.01775 -0.00202 177 2S -0.00286 0.14006 -0.04771 0.08698 0.23862 178 18 H 1S -0.01121 -0.03978 0.04583 -0.01873 0.10046 179 2S 0.00849 -0.10159 -0.09741 -0.03422 -0.14494 180 19 H 1S 0.01109 0.03983 -0.04585 -0.01849 -0.10101 181 2S -0.00870 0.10169 0.09747 -0.03426 0.14610 182 20 H 1S 0.03102 0.04411 0.20516 -0.01764 0.00126 183 2S 0.00280 -0.14010 0.04745 0.08742 -0.23694 184 21 H 1S -0.00024 -0.07462 -0.29563 0.03221 0.00444 185 2S -0.02798 0.12662 -0.07924 -0.03840 0.21980 186 22 H 1S -0.00175 0.03761 -0.01599 -0.02333 -0.01864 187 2S -0.00276 0.13844 -0.07828 0.11753 -0.05925 188 23 H 1S 0.00179 -0.03760 0.01602 -0.02331 0.01801 189 2S 0.00281 -0.13854 0.07824 0.11729 0.06102 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25201 4.26810 4.36205 4.37019 1 1 C 1S -0.19079 -0.07298 0.14497 0.25521 0.11899 2 2S 1.22573 0.54229 -0.63307 -1.30522 -0.93280 3 2PX 0.05134 0.01525 -0.00530 -0.01085 -0.03721 4 2PY -0.07028 -0.06638 -0.00622 0.03803 -0.08641 5 2PZ -0.03559 -0.00415 0.04874 0.08628 0.03212 6 3S 0.47899 -0.12280 -0.41108 -1.23744 -0.32208 7 3PX -0.05718 0.27355 -0.01886 -0.02163 0.32903 8 3PY 0.03549 0.04779 0.18455 -0.09184 -0.03919 9 3PZ 0.00415 -0.29328 -0.16518 -0.24572 0.02250 10 4XX -0.77430 -0.32337 0.50632 0.99451 0.56358 11 4YY -0.68859 -0.27473 0.44668 0.86981 0.64411 12 4ZZ -0.76028 -0.32073 0.52656 0.97977 0.52348 13 4XY 0.01177 0.00346 -0.02674 -0.04968 -0.03243 14 4XZ 0.01705 0.06130 0.00863 -0.06508 -0.00616 15 4YZ 0.00486 -0.02023 -0.00708 -0.00422 -0.00775 16 2 C 1S -0.19178 -0.07322 0.14506 0.25633 -0.11693 17 2S 1.23453 0.54392 -0.63345 -1.31397 0.92274 18 2PX 0.05296 0.01542 -0.00530 -0.01112 0.03729 19 2PY 0.06922 0.06621 0.00614 -0.03742 -0.08672 20 2PZ -0.03610 -0.00415 0.04882 0.08660 -0.03172 21 3S 0.45565 -0.12379 -0.41210 -1.24104 0.31033 22 3PX -0.04660 0.27478 -0.01838 -0.01874 -0.32879 23 3PY -0.03997 -0.04756 -0.18505 0.09238 -0.03728 24 3PZ -0.00875 -0.29417 -0.16560 -0.24558 -0.02456 25 4XX -0.77905 -0.32439 0.50669 0.99992 -0.55567 26 4YY -0.69447 -0.27604 0.44694 0.87594 -0.63713 27 4ZZ -0.76465 -0.32159 0.52687 0.98469 -0.51574 28 4XY -0.01163 -0.00361 0.02668 0.05002 -0.03198 29 4XZ 0.01832 0.06150 0.00866 -0.06510 0.00571 30 4YZ -0.00499 0.02036 0.00685 0.00376 -0.00804 31 3 C 1S 0.06725 -0.05227 -0.40603 0.21147 0.00070 32 2S -0.25836 0.36796 2.24892 -1.34935 -0.00460 33 2PX -0.00838 -0.05105 -0.11174 0.04493 0.00008 34 2PY 0.00030 -0.00003 -0.00015 0.00007 0.00150 35 2PZ 0.00503 0.06337 0.10708 -0.04131 -0.00016 36 3S -0.67836 -0.51427 2.05239 -1.32807 -0.00490 37 3PX -0.13180 -0.20289 0.09276 0.02957 0.00022 38 3PY 0.00167 -0.00013 -0.00002 0.00085 -0.14474 39 3PZ 0.09216 0.13841 -0.02564 -0.04805 0.00005 40 4XX 0.21283 -0.22256 -1.53789 0.88445 0.00292 41 4YY 0.23202 -0.21093 -1.73876 0.98665 0.00346 42 4ZZ 0.22393 -0.24181 -1.56256 0.85046 0.00282 43 4XY -0.00020 -0.00004 -0.00004 0.00004 0.00712 44 4XZ 0.03894 0.03603 0.03275 -0.07873 -0.00029 45 4YZ 0.00050 0.00006 -0.00015 0.00018 -0.00642 46 4 O 1S -0.01716 -0.09691 0.06209 -0.11315 -0.05583 47 2S -0.03928 -0.20506 -0.03609 -0.09061 -0.03514 48 2PX 0.03481 0.00229 -0.04231 -0.04588 -0.02293 49 2PY 0.00291 0.02745 -0.05078 0.07952 0.03132 50 2PZ -0.03320 -0.00116 0.03419 0.01598 0.02052 51 3S 0.25305 1.47748 -0.67416 1.52106 0.69286 52 3PX 0.01715 0.14816 -0.04649 0.11375 -0.03986 53 3PY -0.10036 -0.36443 -0.07410 -0.10020 -0.06102 54 3PZ 0.02036 -0.05709 0.08275 0.00375 -0.01015 55 4XX 0.00121 -0.26605 0.16910 -0.43905 -0.23460 56 4YY -0.06550 -0.25349 0.41490 -0.46344 -0.19087 57 4ZZ -0.02906 -0.31323 0.17517 -0.43398 -0.20130 58 4XY -0.04865 -0.01881 0.14325 -0.02035 0.03230 59 4XZ -0.06775 -0.07554 -0.01342 0.13436 0.04421 60 4YZ 0.02779 -0.01131 -0.14847 0.02497 -0.02470 61 5 H 1S 0.09906 0.01258 -0.08136 -0.07060 -0.08967 62 2S -0.18497 -0.17293 0.01689 0.20749 0.13834 63 6 H 1S 0.09985 0.01262 -0.08133 -0.07124 0.08952 64 2S -0.18891 -0.17326 0.01658 0.20865 -0.13612 65 7 H 1S 0.00034 0.06927 0.08071 -0.02109 -0.00005 66 2S 0.12994 0.03795 -0.44936 0.33229 0.00094 67 8 O 1S -0.02079 -0.09710 0.06209 -0.11377 0.05469 68 2S -0.04475 -0.20547 -0.03614 -0.09117 0.03404 69 2PX 0.03414 0.00232 -0.04233 -0.04621 0.02246 70 2PY -0.00433 -0.02750 0.05064 -0.07993 0.03073 71 2PZ -0.03323 -0.00126 0.03430 0.01611 -0.02028 72 3S 0.30138 1.48037 -0.67401 1.52881 -0.67759 73 3PX 0.02510 0.14865 -0.04650 0.11350 0.04145 74 3PY 0.10802 0.36511 0.07392 0.10097 -0.05997 75 3PZ 0.01669 -0.05688 0.08287 0.00394 0.00955 76 4XX -0.00963 -0.26658 0.16917 -0.44150 0.23043 77 4YY -0.07678 -0.25406 0.41430 -0.46550 0.18656 78 4ZZ -0.04139 -0.31371 0.17560 -0.43638 0.19698 79 4XY 0.05021 0.01909 -0.14328 0.01983 0.03246 80 4XZ -0.06992 -0.07575 -0.01365 0.13483 -0.04324 81 4YZ -0.02862 0.01130 0.14899 -0.02469 -0.02485 82 9 H 1S 0.00426 0.05863 0.08717 -0.02327 0.00001 83 2S 0.07088 -0.04019 -0.42385 0.27725 0.00107 84 10 C 1S -0.19912 0.26111 -0.08435 -0.04465 -0.23407 85 2S 1.36210 -1.42433 0.52442 0.30534 1.44038 86 2PX 0.01088 -0.10545 0.01625 -0.01684 0.05115 87 2PY 0.05841 -0.05475 0.03028 -0.00736 -0.17057 88 2PZ 0.00883 0.06996 0.00820 0.04124 -0.00997 89 3S 0.35002 -1.13069 0.30710 -0.08121 0.43088 90 3PX 0.04547 0.24736 -0.00182 0.07827 0.22289 91 3PY -0.02360 0.03285 -0.08891 0.01353 0.12437 92 3PZ -0.07199 -0.16189 -0.04698 -0.08515 -0.35863 93 4XX -0.78792 1.01510 -0.31882 -0.14784 -0.89752 94 4YY -0.73524 0.88814 -0.30616 -0.15967 -1.13781 95 4ZZ -0.78876 1.02426 -0.33840 -0.17028 -0.89944 96 4XY -0.00331 0.02569 -0.00044 0.02800 -0.02927 97 4XZ 0.01771 -0.02808 0.01095 -0.00838 0.00789 98 4YZ -0.00157 -0.03128 -0.00867 -0.04183 -0.00265 99 11 C 1S -0.10983 -0.06736 -0.02816 -0.12626 -0.19475 100 2S 0.69398 0.34224 0.06347 0.55562 0.68206 101 2PX 0.05165 -0.09105 0.03148 0.00700 0.09420 102 2PY 0.04700 -0.05468 0.00653 -0.02397 -0.04412 103 2PZ -0.00576 0.10244 -0.00144 0.01746 -0.02713 104 3S 0.24293 0.50291 0.05762 0.67345 1.50185 105 3PX 0.03829 0.16192 -0.10862 -0.07526 0.07938 106 3PY 0.00846 0.15532 0.10771 0.09928 0.70567 107 3PZ -0.03854 -0.19911 0.06616 -0.13901 0.01808 108 4XX -0.38277 -0.31893 -0.05046 -0.39943 -0.61656 109 4YY -0.43423 -0.27920 -0.10407 -0.49239 -0.60862 110 4ZZ -0.33134 -0.22043 -0.01430 -0.40413 -0.55283 111 4XY 0.03507 -0.07474 -0.01682 -0.03160 0.05340 112 4XZ -0.07373 0.04731 -0.02942 0.03658 -0.13742 113 4YZ 0.00677 0.09570 0.01755 0.00647 -0.01192 114 12 C 1S -0.14559 -0.21548 -0.11488 -0.13118 -0.11932 115 2S 0.90834 1.08822 0.64776 0.60166 0.82050 116 2PX 0.00320 -0.01855 0.01043 0.04723 0.01381 117 2PY 0.02253 0.00010 0.01530 -0.01474 -0.03992 118 2PZ -0.01928 0.03377 0.03520 0.03751 0.02207 119 3S 0.48390 0.94646 0.35449 0.53388 -0.07878 120 3PX -0.01725 0.02332 -0.07127 -0.18493 -0.21953 121 3PY -0.06844 -0.06750 -0.01893 -0.02616 -0.13403 122 3PZ 0.08806 -0.04587 0.02073 -0.07595 0.30239 123 4XX -0.57837 -0.82295 -0.44212 -0.48207 -0.48392 124 4YY -0.50072 -0.70345 -0.39456 -0.42404 -0.56292 125 4ZZ -0.56914 -0.80127 -0.46415 -0.45354 -0.46934 126 4XY -0.00715 0.00232 0.00010 0.00637 -0.01885 127 4XZ -0.00249 -0.01459 0.01204 -0.01365 -0.02772 128 4YZ 0.01472 0.01452 0.00135 0.04825 0.03792 129 13 C 1S -0.14569 -0.21544 -0.11498 -0.13223 0.11898 130 2S 0.90768 1.08756 0.64886 0.60881 -0.81957 131 2PX 0.00357 -0.01853 0.01035 0.04729 -0.01330 132 2PY -0.02235 -0.00014 -0.01534 0.01505 -0.03969 133 2PZ -0.01955 0.03379 0.03520 0.03770 -0.02207 134 3S 0.49095 0.94684 0.35385 0.53352 0.07863 135 3PX -0.01740 0.02365 -0.07067 -0.18652 0.21744 136 3PY 0.06695 0.06715 0.01882 0.02722 -0.13357 137 3PZ 0.08388 -0.04627 0.02170 -0.07304 -0.30270 138 4XX -0.57879 -0.82274 -0.44259 -0.48639 0.48290 139 4YY -0.50051 -0.70314 -0.39514 -0.42884 0.56184 140 4ZZ -0.56874 -0.80090 -0.46477 -0.45771 0.46887 141 4XY 0.00703 -0.00236 -0.00013 -0.00624 -0.01886 142 4XZ -0.00303 -0.01463 0.01217 -0.01372 0.02748 143 4YZ -0.01479 -0.01436 -0.00116 -0.04852 0.03748 144 14 C 1S -0.10997 -0.06749 -0.02797 -0.12780 0.19291 145 2S 0.69812 0.34301 0.06210 0.56094 -0.67246 146 2PX 0.05116 -0.09097 0.03144 0.00752 -0.09423 147 2PY -0.04684 0.05441 -0.00648 0.02435 -0.04382 148 2PZ -0.00541 0.10235 -0.00140 0.01728 0.02711 149 3S 0.23250 0.50293 0.05760 0.68603 -1.49096 150 3PX 0.03960 0.16180 -0.10925 -0.07483 -0.08090 151 3PY -0.00156 -0.15469 -0.10842 -0.10519 0.70420 152 3PZ -0.04046 -0.19946 0.06667 -0.13901 -0.01762 153 4XX -0.38458 -0.31963 -0.04975 -0.40436 0.60971 154 4YY -0.43571 -0.27929 -0.10322 -0.49710 0.60164 155 4ZZ -0.33298 -0.22118 -0.01350 -0.40848 0.54586 156 4XY -0.03486 0.07455 0.01693 0.03120 0.05363 157 4XZ -0.07286 0.04759 -0.02935 0.03570 0.13802 158 4YZ -0.00697 -0.09557 -0.01791 -0.00661 -0.01165 159 15 C 1S -0.19897 0.26092 -0.08416 -0.04623 0.23405 160 2S 1.35799 -1.42321 0.52325 0.31507 -1.43992 161 2PX 0.01073 -0.10550 0.01628 -0.01652 -0.05147 162 2PY -0.05871 0.05463 -0.03044 0.00843 -0.17031 163 2PZ 0.00903 0.06994 0.00813 0.04116 0.01028 164 3S 0.36248 -1.12969 0.30604 -0.07978 -0.43393 165 3PX 0.04065 0.24742 -0.00203 0.08026 -0.22209 166 3PY 0.01800 -0.03240 0.09001 -0.01352 0.12324 167 3PZ -0.06810 -0.16151 -0.04683 -0.08807 0.35763 168 4XX -0.78633 1.01447 -0.31808 -0.15374 0.89796 169 4YY -0.73271 0.88714 -0.30529 -0.16752 1.13779 170 4ZZ -0.78761 1.02355 -0.33768 -0.17630 0.89952 171 4XY 0.00302 -0.02550 0.00040 -0.02781 -0.02996 172 4XZ 0.01704 -0.02815 0.01096 -0.00843 -0.00823 173 4YZ 0.00213 0.03095 0.00877 0.04188 -0.00176 174 16 H 1S 0.08716 -0.09953 0.02923 0.04011 0.06167 175 2S -0.18678 0.14618 -0.11999 -0.08946 -0.28268 176 17 H 1S 0.06187 0.03228 0.03195 0.04736 0.07645 177 2S -0.09473 -0.01843 0.01539 -0.11242 0.06856 178 18 H 1S 0.06243 0.06901 0.03393 0.02807 0.03721 179 2S -0.18262 -0.21815 -0.14878 -0.26664 -0.21489 180 19 H 1S 0.06147 0.06896 0.03415 0.02846 -0.03711 181 2S -0.18137 -0.21774 -0.14873 -0.26835 0.21323 182 20 H 1S 0.06192 0.03232 0.03186 0.04796 -0.07599 183 2S -0.09675 -0.01858 0.01577 -0.11159 -0.07005 184 21 H 1S 0.08720 -0.09944 0.02915 0.04051 -0.06145 185 2S -0.18474 0.14611 -0.11998 -0.09159 0.28225 186 22 H 1S 0.05434 0.05964 0.04207 0.05692 0.08194 187 2S -0.17713 -0.22842 -0.07689 -0.01492 -0.14828 188 23 H 1S 0.05464 0.05954 0.04202 0.05752 -0.08164 189 2S -0.17644 -0.22826 -0.07725 -0.01625 0.14899 186 187 188 189 V V V V Eigenvalues -- 4.44856 4.48935 4.64964 4.87450 1 1 C 1S 0.00676 0.17859 -0.24171 0.21151 2 2S 0.16345 -0.98294 0.91727 -0.15183 3 2PX 0.00794 -0.01937 -0.00526 0.08685 4 2PY 0.00318 -0.09665 0.10308 -0.04931 5 2PZ -0.01502 0.02670 -0.11066 0.04971 6 3S -0.34916 -1.01722 3.28400 -5.19328 7 3PX -0.09727 -0.41247 -0.36050 0.33753 8 3PY -0.12689 0.07923 -1.05998 1.23767 9 3PZ -0.04635 0.34444 0.93740 -1.67615 10 4XX -0.07418 0.72406 -0.85771 0.48358 11 4YY -0.01547 0.85144 -0.97538 0.67547 12 4ZZ -0.02009 0.68795 -0.84011 0.56788 13 4XY -0.01697 -0.02053 -0.00857 0.00879 14 4XZ -0.01730 -0.07025 -0.00948 0.01505 15 4YZ -0.00882 0.04310 -0.04823 0.04252 16 2 C 1S 0.00587 -0.17810 0.24153 -0.21122 17 2S 0.16712 0.98005 -0.91627 0.15214 18 2PX 0.00836 0.01937 0.00516 -0.08710 19 2PY -0.00357 -0.09664 0.10304 -0.04898 20 2PZ -0.01522 -0.02688 0.11084 -0.04977 21 3S -0.34260 1.01519 -3.28265 5.19037 22 3PX -0.09398 0.41292 0.36026 -0.33784 23 3PY 0.12835 0.07979 -1.05889 1.23391 24 3PZ -0.04707 -0.34421 -0.93990 1.67802 25 4XX -0.07727 -0.72183 0.85699 -0.48353 26 4YY -0.01927 -0.84982 0.97490 -0.67513 27 4ZZ -0.02313 -0.68589 0.83919 -0.56684 28 4XY 0.01690 -0.02078 -0.00861 0.00891 29 4XZ -0.01677 0.07020 0.00940 -0.01523 30 4YZ 0.00904 0.04262 -0.04790 0.04238 31 3 C 1S -0.08858 0.00012 -0.00016 -0.00005 32 2S 0.39731 -0.00069 0.00065 0.00006 33 2PX -0.04050 0.00002 -0.00006 -0.00009 34 2PY -0.00002 -0.01240 0.02390 -0.07387 35 2PZ -0.00768 0.00004 0.00007 -0.00010 36 3S 0.79267 -0.00152 0.00149 0.00043 37 3PX 0.21509 -0.00025 0.00031 0.00046 38 3PY -0.00008 -0.15137 0.07407 -0.10258 39 3PZ 0.06631 -0.00021 -0.00022 0.00032 40 4XX -0.33186 0.00050 -0.00060 -0.00008 41 4YY -0.33322 0.00052 -0.00069 -0.00013 42 4ZZ -0.31749 0.00045 -0.00050 -0.00024 43 4XY -0.00003 -0.01474 -0.01886 -0.00686 44 4XZ -0.00224 -0.00006 -0.00005 0.00001 45 4YZ 0.00003 -0.00055 0.02226 -0.04358 46 4 O 1S 0.02252 -0.02144 0.07053 -0.15851 47 2S 0.01434 0.04369 0.12994 -0.41031 48 2PX -0.00745 -0.03177 0.02760 -0.06400 49 2PY -0.01811 0.02833 -0.03197 0.06991 50 2PZ 0.01782 0.00971 -0.01488 0.00953 51 3S -0.30250 0.07821 -1.41486 3.01396 52 3PX 0.05642 -0.15160 -0.21149 0.68383 53 3PY 0.08113 0.00361 0.18122 -0.45713 54 3PZ -0.09154 0.14398 0.03815 -0.20550 55 4XX 0.09216 -0.15416 0.24704 -0.44251 56 4YY 0.09769 -0.07943 0.24831 -0.51709 57 4ZZ 0.06845 -0.10373 0.25769 -0.55318 58 4XY 0.02060 0.06389 -0.02889 -0.03261 59 4XZ -0.02538 0.09120 -0.09147 -0.00226 60 4YZ -0.01595 -0.05789 0.02231 -0.00452 61 5 H 1S 0.03116 0.03380 0.07905 0.01522 62 2S 0.07636 0.31730 0.14375 -0.19354 63 6 H 1S 0.03098 -0.03389 -0.07916 -0.01553 64 2S 0.07533 -0.31696 -0.14450 0.19396 65 7 H 1S -0.02601 0.00006 -0.00004 -0.00005 66 2S -0.23872 0.00042 -0.00013 -0.00043 67 8 O 1S 0.02224 0.02117 -0.07039 0.15859 68 2S 0.01358 -0.04399 -0.12983 0.41043 69 2PX -0.00747 0.03173 -0.02758 0.06404 70 2PY 0.01800 0.02821 -0.03200 0.06993 71 2PZ 0.01785 -0.00968 0.01485 -0.00944 72 3S -0.29845 -0.07445 1.41285 -3.01502 73 3PX 0.05759 0.15153 0.21123 -0.68370 74 3PY -0.08027 0.00456 0.18140 -0.45774 75 3PZ -0.09271 -0.14388 -0.03781 0.20484 76 4XX 0.09166 0.15299 -0.24655 0.44278 77 4YY 0.09675 0.07875 -0.24775 0.51744 78 4ZZ 0.06765 0.10268 -0.25717 0.55335 79 4XY -0.02017 0.06400 -0.02911 -0.03263 80 4XZ -0.02604 -0.09090 0.09137 0.00218 81 4YZ 0.01570 -0.05795 0.02230 -0.00443 82 9 H 1S 0.02024 0.00002 0.00001 0.00003 83 2S -0.02661 0.00009 -0.00015 0.00022 84 10 C 1S 0.04366 0.24195 -0.03734 -0.11030 85 2S -0.21671 -1.18923 0.29988 0.33684 86 2PX -0.09779 -0.08922 0.01809 0.05855 87 2PY -0.07983 0.11213 -0.02025 0.02668 88 2PZ 0.08320 0.06546 -0.01295 -0.07679 89 3S -0.60102 -2.23613 0.13770 3.99705 90 3PX 0.15536 0.42175 0.08816 -1.25082 91 3PY 0.05236 -0.47897 -0.09197 0.81291 92 3PZ -0.11903 -0.33634 -0.07169 1.24815 93 4XX 0.22208 0.88135 -0.17558 -0.40044 94 4YY 0.18786 1.09582 -0.25482 -0.47369 95 4ZZ 0.22781 0.90264 -0.16763 -0.40668 96 4XY 0.10539 0.05568 -0.05216 -0.12980 97 4XZ -0.07630 -0.02417 0.04110 0.07568 98 4YZ -0.07656 -0.05236 -0.00138 0.11047 99 11 C 1S -0.30986 -0.01712 0.06294 0.39734 100 2S 1.68079 0.20571 -0.63360 -0.87016 101 2PX -0.01720 -0.06181 0.02313 -0.03954 102 2PY -0.09749 -0.04315 0.02355 0.23832 103 2PZ 0.00173 0.06094 -0.02857 -0.00257 104 3S 2.08212 0.17737 -0.58065 -5.57587 105 3PX -0.10502 0.23122 -0.07537 0.02294 106 3PY 0.20600 0.16608 -0.01737 -2.17213 107 3PZ 0.09638 -0.15284 -0.18191 -0.16826 108 4XX -1.20438 -0.20504 0.35077 1.24907 109 4YY -1.18828 -0.11027 0.29586 1.23902 110 4ZZ -1.30293 -0.05841 0.44186 1.26382 111 4XY -0.03541 -0.04979 -0.04072 0.05461 112 4XZ 0.10843 0.04950 -0.03879 -0.08137 113 4YZ -0.01108 0.09005 0.02040 -0.02984 114 12 C 1S 0.16803 -0.21083 -0.29778 -0.02110 115 2S -0.86816 1.00908 1.24023 0.07140 116 2PX 0.01010 -0.02441 0.02136 -0.03688 117 2PY -0.02340 -0.03248 -0.02931 0.01347 118 2PZ -0.07707 0.03364 0.10507 -0.09477 119 3S -1.27473 1.69529 2.92480 2.19423 120 3PX -0.00759 0.11081 -0.25108 0.70054 121 3PY 0.12494 0.16512 0.46027 0.13090 122 3PZ 0.23290 -0.09218 -0.38930 -0.65236 123 4XX 0.64233 -0.75735 -1.00177 -0.04258 124 4YY 0.57668 -0.86765 -1.18676 -0.08423 125 4ZZ 0.75222 -0.74243 -1.07390 -0.10659 126 4XY -0.02888 0.02902 0.00101 0.03459 127 4XZ -0.05168 -0.00075 0.01514 0.05019 128 4YZ 0.09783 -0.01080 -0.07548 -0.09369 129 13 C 1S 0.16786 0.21023 0.29801 0.02099 130 2S -0.86669 -1.00618 -1.24126 -0.07119 131 2PX 0.01017 0.02447 -0.02144 0.03677 132 2PY 0.02363 -0.03247 -0.02916 0.01341 133 2PZ -0.07687 -0.03350 -0.10527 0.09493 134 3S -1.27614 -1.68997 -2.92649 -2.19362 135 3PX -0.00849 -0.11126 0.25122 -0.69925 136 3PY -0.12549 0.16562 0.45965 0.12894 137 3PZ 0.23347 0.09152 0.39031 0.65246 138 4XX 0.64144 0.75503 1.00264 0.04222 139 4YY 0.57601 0.86572 1.18773 0.08410 140 4ZZ 0.75126 0.73981 1.07471 0.10603 141 4XY 0.02907 0.02884 0.00096 0.03446 142 4XZ -0.05147 0.00100 -0.01520 -0.05011 143 4YZ -0.09821 -0.01026 -0.07548 -0.09363 144 14 C 1S -0.31056 0.01822 -0.06362 -0.39726 145 2S 1.68184 -0.21201 0.63722 0.86871 146 2PX -0.01677 0.06182 -0.02294 0.03899 147 2PY 0.09738 -0.04336 0.02361 0.23814 148 2PZ 0.00159 -0.06097 0.02885 0.00259 149 3S 2.08712 -0.18501 0.58473 5.57600 150 3PX -0.10587 -0.23120 0.07582 -0.02151 151 3PY -0.20726 0.16637 -0.01728 -2.17102 152 3PZ 0.09618 0.15203 0.18148 0.16524 153 4XX -1.20585 0.20985 -0.35361 -1.24786 154 4YY -1.19013 0.11428 -0.29856 -1.23866 155 4ZZ -1.30441 0.06331 -0.44453 -1.26317 156 4XY 0.03509 -0.04980 -0.04076 0.05439 157 4XZ 0.10773 -0.05005 0.03862 0.08167 158 4YZ 0.01176 0.09012 0.02075 -0.02977 159 15 C 1S 0.04197 -0.24241 0.03738 0.11015 160 2S -0.20781 1.19129 -0.30005 -0.33633 161 2PX -0.09739 0.08965 -0.01821 -0.05847 162 2PY 0.08058 0.11205 -0.02017 0.02645 163 2PZ 0.08299 -0.06561 0.01304 0.07654 164 3S -0.59020 2.23928 -0.13936 -3.99502 165 3PX 0.15445 -0.42234 -0.08778 1.25004 166 3PY -0.05480 -0.47997 -0.09273 0.81610 167 3PZ -0.11861 0.33623 0.07154 -1.24561 168 4XX 0.21624 -0.88330 0.17586 0.40005 169 4YY 0.17942 -1.09723 0.25487 0.47255 170 4ZZ 0.22166 -0.90469 0.16804 0.40649 171 4XY -0.10484 0.05623 -0.05235 -0.12983 172 4XZ -0.07650 0.02462 -0.04134 -0.07593 173 4YZ 0.07617 -0.05291 -0.00115 0.11043 174 16 H 1S 0.00513 -0.07278 0.00567 0.04275 175 2S 0.02461 0.06603 -0.11374 0.30482 176 17 H 1S 0.05468 0.03336 -0.00479 -0.08324 177 2S -0.29974 0.04657 0.07234 -0.13465 178 18 H 1S -0.01873 0.00393 -0.06362 -0.04799 179 2S 0.21794 -0.17562 -0.41145 0.18228 180 19 H 1S -0.01865 -0.00392 0.06360 0.04790 181 2S 0.21737 0.17439 0.41176 -0.18154 182 20 H 1S 0.05469 -0.03362 0.00484 0.08317 183 2S -0.30014 -0.04537 -0.07340 0.13388 184 21 H 1S 0.00561 0.07295 -0.00559 -0.04265 185 2S 0.02358 -0.06624 0.11401 -0.30465 186 22 H 1S -0.01399 -0.00434 0.00313 -0.14579 187 2S 0.13776 -0.27362 -0.14864 -0.16927 188 23 H 1S -0.01377 0.00442 -0.00312 0.14582 189 2S 0.13811 0.27327 0.14870 0.16916 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.06338 0.33286 3 2PX -0.01204 0.01863 0.34619 4 2PY 0.00503 -0.01298 0.04012 0.43072 5 2PZ 0.01510 -0.02720 0.02229 -0.02888 0.37876 6 3S -0.17209 0.27255 0.09845 0.01745 -0.02407 7 3PX -0.01880 0.03669 0.16689 0.03754 0.08372 8 3PY 0.00734 -0.00392 0.05098 0.12295 0.01634 9 3PZ 0.00253 -0.01643 0.08140 0.01235 0.16312 10 4XX -0.01177 -0.01308 -0.01164 0.00699 0.01133 11 4YY -0.01725 -0.00101 0.00625 -0.01259 -0.00559 12 4ZZ -0.01570 -0.00411 0.00182 0.01309 -0.00482 13 4XY -0.00020 0.00034 0.00111 -0.00496 -0.01132 14 4XZ 0.00344 -0.00808 0.01111 -0.00915 -0.00705 15 4YZ 0.00424 -0.00860 -0.01261 -0.00773 0.00936 16 2 C 1S 0.01947 -0.04084 -0.01337 0.08017 -0.01078 17 2S -0.04084 0.07591 0.02558 -0.16587 0.01958 18 2PX -0.01346 0.02576 0.16094 0.01930 0.09936 19 2PY -0.08011 0.16574 -0.01960 -0.32465 -0.03430 20 2PZ -0.01101 0.02004 0.09939 0.03343 0.11879 21 3S 0.00180 0.02807 0.06612 -0.12958 0.07381 22 3PX -0.00347 0.00374 0.09439 0.01932 0.05074 23 3PY -0.00102 0.01879 -0.02438 -0.10076 -0.02200 24 3PZ -0.00663 0.01824 0.06396 0.03837 0.08169 25 4XX 0.00324 -0.00759 0.00050 0.01313 -0.00038 26 4YY -0.00653 0.01193 -0.00093 -0.00798 0.00072 27 4ZZ 0.00346 -0.00794 -0.00232 0.01007 -0.00375 28 4XY -0.00007 0.00038 0.01259 0.00562 0.00420 29 4XZ -0.00133 0.00307 0.00018 -0.00448 0.00034 30 4YZ 0.00080 -0.00168 0.00512 -0.00042 0.01435 31 3 C 1S -0.00315 0.00630 -0.00914 -0.01014 0.00380 32 2S 0.00671 -0.01755 0.02192 0.03220 -0.01018 33 2PX 0.01114 -0.02806 0.02081 0.01618 -0.02269 34 2PY 0.00218 -0.00476 0.03536 -0.02084 -0.03818 35 2PZ -0.00866 0.02119 -0.03427 -0.02131 0.00265 36 3S 0.00987 -0.01224 0.04433 0.05398 -0.00795 37 3PX 0.00779 -0.01318 0.01209 0.01702 -0.01127 38 3PY 0.00140 -0.00394 0.03160 -0.00039 -0.03293 39 3PZ -0.00625 0.01178 -0.03278 -0.02175 -0.00874 40 4XX -0.00162 0.00400 -0.00735 0.00166 0.00610 41 4YY 0.00217 -0.00464 0.00888 -0.00517 -0.00719 42 4ZZ -0.00094 0.00176 -0.00478 0.00206 0.00340 43 4XY -0.00103 0.00239 -0.00016 -0.00067 0.00422 44 4XZ 0.00004 -0.00046 0.00443 0.00026 -0.00260 45 4YZ 0.00000 0.00011 0.00420 0.00249 0.00144 46 4 O 1S 0.00536 -0.00686 0.02953 -0.00838 -0.02341 47 2S -0.00987 0.01072 -0.06593 0.03087 0.05397 48 2PX -0.05682 0.12358 -0.16704 0.10806 0.18564 49 2PY 0.02543 -0.05155 0.09841 -0.03158 -0.06623 50 2PZ 0.03477 -0.06521 0.17837 -0.07002 -0.08088 51 3S 0.01406 -0.02644 -0.06860 -0.04045 0.04688 52 3PX -0.02657 0.06224 -0.10161 0.05720 0.09091 53 3PY 0.01944 -0.03874 0.07136 -0.02498 -0.04911 54 3PZ 0.01513 -0.02658 0.08269 -0.04070 -0.05671 55 4XX -0.00369 0.00605 0.00641 0.00822 0.00739 56 4YY -0.00126 0.00119 -0.00463 0.00050 0.00289 57 4ZZ -0.00090 0.00061 -0.00147 0.00487 -0.00968 58 4XY 0.00463 -0.00906 0.00889 0.00341 -0.01055 59 4XZ 0.00490 -0.00780 0.00432 -0.00310 0.00126 60 4YZ -0.00277 0.00504 -0.01129 -0.00411 0.00185 61 5 H 1S -0.06819 0.13564 0.06555 0.16935 -0.19070 62 2S -0.02048 0.04650 0.03945 0.13855 -0.15448 63 6 H 1S 0.01654 -0.03649 -0.00830 0.04033 0.00086 64 2S 0.02041 -0.04065 -0.02369 0.06423 0.00822 65 7 H 1S -0.00290 0.00541 -0.00914 0.00536 0.00814 66 2S -0.00329 0.00507 0.00170 0.00256 0.02481 67 8 O 1S -0.00177 0.00495 -0.00446 -0.00163 0.00858 68 2S 0.00716 -0.01548 0.01397 0.01729 -0.01588 69 2PX 0.01258 -0.02731 -0.07079 0.03235 -0.04707 70 2PY 0.02271 -0.05457 0.02761 0.05841 -0.01336 71 2PZ 0.00204 -0.00200 -0.04872 -0.05113 -0.05775 72 3S -0.00338 -0.00398 0.01645 -0.03053 -0.06698 73 3PX 0.00942 -0.02049 -0.05946 0.01732 -0.04759 74 3PY 0.01409 -0.03727 0.01918 0.04002 -0.01428 75 3PZ 0.00239 -0.00396 -0.04775 -0.04105 -0.05151 76 4XX 0.00027 0.00014 0.00368 0.00415 0.00503 77 4YY 0.00139 -0.00233 0.00091 0.00258 0.00126 78 4ZZ 0.00102 -0.00121 -0.00256 0.00251 -0.00056 79 4XY -0.00070 0.00154 -0.00303 -0.00608 -0.00086 80 4XZ 0.00006 -0.00019 0.00117 0.00135 -0.00027 81 4YZ 0.00092 -0.00213 0.00170 0.00473 -0.00039 82 9 H 1S -0.00480 0.01264 -0.02128 0.00578 0.01275 83 2S -0.00435 0.01308 -0.04177 -0.00555 0.00475 84 10 C 1S -0.00069 0.00058 0.00297 -0.00009 0.00129 85 2S 0.00138 -0.00174 -0.00822 -0.00136 -0.00392 86 2PX -0.01091 0.02275 0.07775 0.01157 0.05900 87 2PY 0.00262 -0.00401 -0.01576 -0.00429 -0.01021 88 2PZ -0.00738 0.01701 0.05620 0.01171 0.04319 89 3S 0.00206 0.00406 -0.03483 -0.00098 -0.02173 90 3PX -0.00808 0.01434 0.07588 0.01100 0.05756 91 3PY 0.00240 -0.00314 -0.02108 0.00156 -0.01039 92 3PZ -0.00514 0.01323 0.03839 0.01322 0.03306 93 4XX -0.00017 0.00011 0.00104 0.00105 0.00012 94 4YY -0.00007 0.00011 -0.00086 -0.00089 -0.00024 95 4ZZ -0.00009 0.00011 -0.00078 -0.00044 -0.00055 96 4XY -0.00015 0.00041 0.00033 0.00083 -0.00061 97 4XZ -0.00014 0.00022 0.00094 -0.00027 0.00048 98 4YZ -0.00012 0.00031 0.00042 0.00109 -0.00030 99 11 C 1S -0.00096 0.00309 0.00601 -0.00166 0.00541 100 2S 0.00324 -0.00397 -0.01967 0.00256 -0.01604 101 2PX -0.00344 0.00798 0.00550 -0.02185 0.01138 102 2PY 0.00440 -0.00649 -0.00668 0.01609 -0.00644 103 2PZ -0.00065 0.00420 0.00166 -0.01215 0.00571 104 3S -0.00041 -0.00630 0.01557 0.00891 0.00403 105 3PX -0.00316 0.00578 0.01636 -0.01836 0.02231 106 3PY -0.00096 -0.00158 0.02120 0.00080 0.01478 107 3PZ -0.00133 0.00432 0.00018 -0.01977 -0.00083 108 4XX -0.00050 0.00122 0.00641 0.00217 0.00550 109 4YY -0.00011 0.00040 -0.00097 -0.00126 -0.00060 110 4ZZ 0.00057 -0.00090 -0.00319 -0.00002 -0.00255 111 4XY 0.00027 -0.00041 -0.00142 0.00057 -0.00099 112 4XZ -0.00026 0.00034 0.00301 0.00108 0.00227 113 4YZ 0.00015 -0.00011 -0.00054 0.00046 -0.00052 114 12 C 1S -0.00135 0.00251 0.00748 0.00026 0.00675 115 2S 0.00331 -0.00447 -0.01642 -0.00223 -0.01382 116 2PX -0.00010 0.00035 -0.00553 -0.00294 -0.00339 117 2PY 0.00132 -0.00183 -0.00839 -0.00296 -0.00673 118 2PZ -0.00447 0.00621 0.02312 -0.00044 0.01776 119 3S 0.00485 -0.00902 -0.04182 0.00880 -0.03602 120 3PX 0.00199 -0.00102 -0.01621 -0.00246 -0.00598 121 3PY -0.00085 0.00100 -0.00753 -0.00147 -0.01048 122 3PZ -0.00127 0.00195 0.01809 -0.00010 0.01471 123 4XX -0.00017 0.00043 0.00142 -0.00011 0.00136 124 4YY 0.00005 -0.00014 -0.00112 -0.00097 -0.00090 125 4ZZ 0.00010 -0.00004 0.00045 0.00111 0.00048 126 4XY 0.00010 0.00004 0.00026 0.00047 0.00017 127 4XZ -0.00018 0.00024 0.00165 0.00062 0.00135 128 4YZ 0.00019 0.00007 -0.00050 -0.00022 -0.00023 129 13 C 1S -0.00160 0.00232 0.00602 0.00137 0.00522 130 2S 0.00237 -0.00725 -0.01601 -0.00410 -0.01808 131 2PX -0.00276 0.00839 0.01448 0.00284 0.01388 132 2PY -0.00037 -0.00113 0.00146 0.00184 -0.00171 133 2PZ -0.00220 0.01169 0.01973 0.00128 0.01867 134 3S 0.00257 -0.00752 -0.01143 0.00181 -0.00098 135 3PX -0.00447 0.00431 0.01163 0.00524 -0.00417 136 3PY -0.00153 -0.00069 -0.00820 0.00236 -0.00976 137 3PZ -0.00311 0.00601 0.00177 -0.00101 0.00685 138 4XX -0.00041 0.00046 -0.00105 0.00006 -0.00134 139 4YY 0.00002 -0.00044 -0.00241 -0.00090 -0.00246 140 4ZZ -0.00071 0.00039 0.00459 0.00118 0.00366 141 4XY -0.00011 0.00043 0.00025 -0.00006 0.00017 142 4XZ -0.00081 0.00162 0.00572 0.00109 0.00603 143 4YZ -0.00005 0.00026 0.00064 0.00023 0.00063 144 14 C 1S -0.00194 0.00084 -0.00441 0.00057 -0.00773 145 2S 0.00260 -0.01173 0.00258 -0.00516 0.01093 146 2PX 0.00847 -0.01034 -0.10014 -0.02517 -0.08814 147 2PY 0.00429 -0.00290 -0.03476 -0.01768 -0.02312 148 2PZ 0.00247 -0.00678 -0.05658 -0.00961 -0.05948 149 3S 0.00478 0.00191 0.00887 0.00287 0.03444 150 3PX -0.00166 0.00229 -0.06588 -0.01537 -0.06237 151 3PY 0.00192 -0.00688 -0.01526 -0.00266 -0.01964 152 3PZ 0.00398 -0.00726 -0.05403 -0.01961 -0.05023 153 4XX -0.00149 0.00265 0.00497 0.00347 0.00292 154 4YY 0.00012 -0.00135 -0.00229 -0.00230 -0.00079 155 4ZZ -0.00031 -0.00051 -0.00005 0.00012 -0.00139 156 4XY -0.00016 0.00064 0.00256 -0.00041 0.00185 157 4XZ -0.00082 0.00234 0.00542 0.00262 0.00200 158 4YZ -0.00007 0.00042 0.00118 -0.00042 0.00099 159 15 C 1S -0.00178 0.00265 0.00504 0.00169 0.00224 160 2S 0.00269 -0.00452 -0.01913 -0.00504 -0.00608 161 2PX -0.00921 0.02102 0.03140 0.01828 0.00586 162 2PY -0.00007 -0.00007 0.00231 0.00154 0.00214 163 2PZ -0.00380 0.01060 0.00563 0.01160 -0.00872 164 3S 0.00663 -0.01531 0.01122 -0.00908 -0.00475 165 3PX -0.00953 0.02246 0.02176 0.01858 0.01013 166 3PY 0.00149 -0.00029 -0.01368 -0.00232 -0.00716 167 3PZ -0.00354 0.00662 0.02089 0.01561 0.00055 168 4XX -0.00071 0.00088 0.00528 0.00106 0.00439 169 4YY 0.00004 -0.00016 -0.00263 -0.00085 -0.00130 170 4ZZ -0.00029 0.00024 -0.00291 -0.00015 -0.00244 171 4XY 0.00017 -0.00054 -0.00296 -0.00044 -0.00267 172 4XZ -0.00039 0.00088 0.00048 0.00018 -0.00039 173 4YZ 0.00067 -0.00094 -0.00435 -0.00114 -0.00362 174 16 H 1S -0.00005 -0.00019 -0.00043 0.00075 -0.00028 175 2S 0.00057 -0.00102 -0.00603 0.00443 -0.00381 176 17 H 1S -0.00153 0.00204 -0.00478 -0.00967 -0.00401 177 2S -0.00260 0.00374 0.00461 -0.01639 0.00634 178 18 H 1S 0.00009 0.00016 0.00262 0.00031 0.00230 179 2S -0.00156 0.00335 -0.00531 -0.00815 -0.00191 180 19 H 1S 0.00211 -0.00547 -0.01756 -0.00281 -0.01901 181 2S 0.00286 -0.00626 -0.01626 -0.00550 -0.03802 182 20 H 1S 0.00409 -0.00635 -0.01728 -0.01448 -0.00487 183 2S 0.00293 -0.00298 -0.02259 -0.01735 -0.01181 184 21 H 1S -0.00016 -0.00040 0.00504 0.00069 0.00681 185 2S -0.00151 0.00010 0.01513 0.00607 0.00953 186 22 H 1S -0.00125 0.00105 0.00605 0.00206 0.00384 187 2S -0.00321 0.00343 0.02197 0.00737 0.01341 188 23 H 1S -0.00263 0.00806 0.02531 0.00455 0.02412 189 2S -0.00283 0.01143 0.05157 0.00979 0.05074 6 7 8 9 10 6 3S 0.30259 7 3PX 0.06520 0.10752 8 3PY -0.00104 0.03275 0.05312 9 3PZ 0.01257 0.06589 0.02377 0.09319 10 4XX -0.01111 -0.00269 0.00135 0.00336 0.00284 11 4YY 0.00000 -0.00019 -0.00171 -0.00081 -0.00081 12 4ZZ -0.00314 0.00074 0.00225 -0.00239 -0.00057 13 4XY 0.00069 -0.00125 -0.00301 -0.00445 -0.00067 14 4XZ -0.00260 0.00148 -0.00128 0.00018 -0.00036 15 4YZ -0.01358 -0.00465 -0.00214 0.00057 0.00059 16 2 C 1S 0.00179 -0.00341 0.00108 -0.00660 0.00325 17 2S 0.02807 0.00362 -0.01891 0.01813 -0.00760 18 2PX 0.06639 0.09438 0.02429 0.06392 0.00047 19 2PY 0.12932 -0.01950 -0.10081 -0.03864 -0.01313 20 2PZ 0.07429 0.05078 0.02175 0.08159 -0.00042 21 3S -0.02100 0.03368 0.01274 0.04407 -0.00418 22 3PX 0.03386 0.04460 0.01941 0.04239 0.00001 23 3PY -0.01294 -0.01946 -0.02619 -0.02100 -0.00386 24 3PZ 0.04423 0.04242 0.02096 0.04846 0.00090 25 4XX -0.00418 0.00004 0.00387 0.00091 0.00057 26 4YY 0.01065 0.00132 -0.00340 -0.00133 -0.00034 27 4ZZ -0.00858 -0.00230 0.00224 -0.00160 0.00024 28 4XY 0.00614 0.00720 0.00241 0.00480 -0.00016 29 4XZ 0.00379 0.00086 -0.00203 -0.00144 0.00000 30 4YZ -0.00370 0.00559 0.00308 0.00722 0.00047 31 3 C 1S 0.00668 -0.00601 -0.00710 0.00103 -0.00035 32 2S -0.01114 0.01086 0.01567 0.00198 0.00108 33 2PX -0.04029 0.01477 0.00228 -0.01112 0.00362 34 2PY 0.01435 0.02865 -0.02778 -0.02416 -0.00023 35 2PZ 0.03384 -0.02617 -0.00362 -0.00502 -0.00250 36 3S 0.00701 0.01790 0.02482 0.01203 -0.00051 37 3PX -0.01714 0.00545 0.00313 -0.00395 -0.00005 38 3PY 0.00616 0.00962 -0.00231 -0.00878 -0.00246 39 3PZ 0.00195 -0.02104 -0.01080 -0.01368 -0.00320 40 4XX 0.00033 -0.00299 -0.00047 0.00146 -0.00073 41 4YY -0.00421 0.00355 -0.00211 -0.00333 -0.00023 42 4ZZ 0.00360 -0.00141 0.00190 0.00199 0.00112 43 4XY 0.00110 0.00345 -0.00191 -0.00079 -0.00018 44 4XZ 0.00244 0.00084 0.00049 -0.00028 -0.00044 45 4YZ -0.00006 0.00062 0.00298 0.00240 -0.00103 46 4 O 1S 0.03366 -0.00188 -0.00926 0.00879 -0.00408 47 2S -0.08566 0.00923 0.02009 -0.02158 0.01019 48 2PX 0.03607 -0.02847 0.01426 0.03346 -0.00965 49 2PY -0.06374 -0.00560 0.04339 -0.00072 -0.01244 50 2PZ -0.07378 0.06530 -0.02434 -0.03143 -0.02968 51 3S -0.14506 0.00218 0.00576 -0.03617 0.00916 52 3PX 0.00385 -0.02100 0.00215 0.00675 -0.00837 53 3PY -0.04529 -0.00215 0.02758 -0.00138 -0.00825 54 3PZ -0.04403 0.02603 -0.01816 -0.02931 -0.02043 55 4XX 0.00708 0.00484 0.00342 0.00474 -0.00053 56 4YY 0.00254 0.00000 -0.00237 0.00048 0.00073 57 4ZZ 0.00268 -0.00310 0.00096 -0.00347 -0.00005 58 4XY -0.00459 0.00132 0.00224 -0.00177 0.00044 59 4XZ -0.00513 0.00090 -0.00065 0.00174 -0.00015 60 4YZ 0.00391 -0.00492 -0.00177 -0.00035 0.00104 61 5 H 1S 0.13824 0.01459 0.04029 -0.06419 -0.01031 62 2S 0.05308 -0.00290 0.02946 -0.05325 -0.00711 63 6 H 1S -0.06700 0.00165 0.02500 0.00191 0.00286 64 2S -0.06605 -0.00134 0.02217 -0.00045 0.00383 65 7 H 1S 0.02078 -0.00568 0.00940 0.00564 0.00242 66 2S 0.03062 0.00488 0.01304 0.01767 0.00650 67 8 O 1S -0.01913 0.00040 0.00867 0.00034 0.00017 68 2S 0.03956 0.00017 -0.01383 0.00415 -0.00013 69 2PX -0.05191 -0.06280 -0.00295 -0.01587 -0.00181 70 2PY -0.11867 -0.01215 0.07011 0.02574 -0.00128 71 2PZ -0.02272 -0.04587 -0.04200 -0.04487 -0.00149 72 3S 0.06993 -0.00818 -0.04761 -0.02589 -0.00334 73 3PX -0.04016 -0.05126 -0.00650 -0.02005 -0.00099 74 3PY -0.07833 -0.00936 0.04597 0.01470 -0.00137 75 3PZ -0.02374 -0.03968 -0.03256 -0.03816 -0.00131 76 4XX 0.00130 0.00203 0.00205 0.00335 -0.00005 77 4YY -0.00668 0.00010 0.00370 0.00190 0.00012 78 4ZZ -0.00190 -0.00056 0.00107 -0.00081 0.00028 79 4XY -0.00119 -0.00307 -0.00153 -0.00019 -0.00034 80 4XZ 0.00024 0.00084 -0.00009 -0.00043 0.00007 81 4YZ -0.00089 0.00049 0.00056 -0.00012 0.00012 82 9 H 1S 0.00896 -0.01227 0.00073 0.00419 -0.00346 83 2S -0.00502 -0.02406 -0.00975 -0.00720 -0.00561 84 10 C 1S 0.00391 0.00129 -0.00151 0.00188 -0.00022 85 2S -0.00679 -0.00640 0.00182 -0.00094 0.00029 86 2PX 0.05266 0.05979 0.02880 0.04676 -0.00078 87 2PY -0.01296 -0.01204 -0.00193 -0.01429 0.00019 88 2PZ 0.03698 0.03995 0.02412 0.04457 0.00000 89 3S -0.01668 -0.01867 0.00033 -0.02361 -0.00099 90 3PX 0.04063 0.05278 0.02547 0.04977 0.00034 91 3PY -0.01632 -0.01488 0.00058 -0.01442 -0.00038 92 3PZ 0.02608 0.03141 0.01789 0.02773 0.00045 93 4XX 0.00024 -0.00002 0.00019 -0.00002 -0.00005 94 4YY 0.00067 -0.00029 -0.00078 -0.00031 0.00003 95 4ZZ -0.00088 -0.00003 0.00009 -0.00039 -0.00002 96 4XY 0.00199 -0.00069 0.00034 0.00058 -0.00023 97 4XZ 0.00100 0.00051 -0.00015 0.00056 -0.00002 98 4YZ 0.00083 -0.00006 0.00064 -0.00063 -0.00018 99 11 C 1S -0.00391 0.00524 0.00344 0.00094 -0.00015 100 2S -0.01546 -0.01579 -0.00095 -0.01382 0.00009 101 2PX 0.01236 0.01442 -0.00305 0.02188 0.00101 102 2PY -0.04100 -0.00809 0.01498 -0.00939 0.00028 103 2PZ -0.01993 0.01697 0.01065 -0.00460 0.00082 104 3S -0.00132 0.00106 0.00792 0.00823 0.00048 105 3PX 0.00668 0.01951 0.00138 0.02252 0.00096 106 3PY -0.00009 0.01031 0.00610 0.01126 0.00073 107 3PZ -0.00729 0.00994 -0.00097 -0.00260 0.00043 108 4XX 0.00314 0.00456 0.00246 0.00447 0.00002 109 4YY 0.00159 -0.00070 -0.00134 -0.00045 -0.00003 110 4ZZ -0.00306 -0.00203 -0.00063 -0.00255 -0.00003 111 4XY -0.00029 -0.00087 0.00000 -0.00032 0.00001 112 4XZ 0.00172 0.00155 0.00054 0.00176 0.00002 113 4YZ -0.00054 -0.00013 0.00041 -0.00045 -0.00004 114 12 C 1S 0.00525 0.00500 0.00097 0.00472 0.00003 115 2S -0.02181 -0.00780 0.00161 -0.01514 0.00002 116 2PX 0.00049 -0.01194 -0.00918 -0.00207 0.00010 117 2PY -0.00389 -0.01245 -0.00416 -0.00051 -0.00020 118 2PZ 0.04387 0.01013 -0.00925 0.02301 -0.00037 119 3S -0.04196 -0.02832 0.00538 -0.03129 -0.00109 120 3PX -0.00320 -0.01260 -0.00701 -0.00618 0.00048 121 3PY -0.00217 -0.00970 -0.00077 -0.00396 -0.00025 122 3PZ 0.02031 0.00939 -0.00151 0.01526 -0.00021 123 4XX 0.00139 0.00147 0.00037 0.00129 0.00000 124 4YY 0.00026 -0.00079 -0.00090 -0.00035 0.00006 125 4ZZ -0.00033 -0.00013 0.00036 -0.00008 0.00003 126 4XY -0.00040 0.00082 0.00056 -0.00005 -0.00005 127 4XZ 0.00188 0.00007 -0.00044 0.00093 -0.00004 128 4YZ -0.00163 0.00037 0.00061 -0.00080 -0.00002 129 13 C 1S 0.00608 0.00471 0.00098 0.00665 -0.00063 130 2S -0.00127 -0.01727 -0.01047 -0.00699 0.00056 131 2PX 0.00168 0.02394 0.00751 0.00778 -0.00092 132 2PY 0.00818 0.00040 -0.00135 0.00014 -0.00003 133 2PZ -0.01867 0.03179 0.02069 0.00121 -0.00036 134 3S 0.00812 -0.00621 -0.01295 0.00611 0.00265 135 3PX 0.00074 0.01150 0.00525 0.00037 -0.00163 136 3PY 0.00025 -0.00630 -0.00021 -0.00480 0.00103 137 3PZ -0.00597 0.01040 0.00828 -0.00123 0.00221 138 4XX 0.00010 -0.00074 0.00012 -0.00114 -0.00015 139 4YY -0.00193 -0.00187 -0.00015 -0.00175 -0.00006 140 4ZZ 0.00176 0.00343 0.00075 0.00268 0.00024 141 4XY 0.00004 0.00085 0.00052 0.00002 -0.00009 142 4XZ 0.00101 0.00534 0.00189 0.00365 0.00014 143 4YZ -0.00124 0.00131 0.00081 -0.00022 0.00005 144 14 C 1S 0.01939 0.00116 -0.00042 0.00289 -0.00167 145 2S -0.00899 -0.00240 -0.00593 0.00279 0.00291 146 2PX -0.03372 -0.06897 -0.01875 -0.07184 -0.00639 147 2PY -0.03762 -0.02647 0.00972 -0.01843 -0.00237 148 2PZ 0.01767 -0.05832 -0.01999 -0.02540 -0.00507 149 3S 0.00636 0.01134 0.00141 0.01278 0.00713 150 3PX -0.00805 -0.04884 -0.01359 -0.04693 -0.00462 151 3PY -0.01668 -0.01406 -0.00004 -0.01042 -0.00313 152 3PZ -0.00662 -0.04814 -0.01788 -0.03214 -0.00458 153 4XX 0.00473 0.00308 0.00193 0.00248 -0.00044 154 4YY -0.00365 -0.00184 0.00001 -0.00113 0.00003 155 4ZZ -0.00023 0.00015 -0.00089 -0.00027 0.00011 156 4XY 0.00143 0.00135 -0.00004 0.00168 -0.00002 157 4XZ 0.00286 0.00370 0.00204 0.00205 -0.00022 158 4YZ -0.00039 0.00132 0.00012 0.00000 0.00008 159 15 C 1S 0.00363 0.00660 0.00256 0.00154 -0.00079 160 2S -0.01132 -0.01009 -0.00678 -0.01149 0.00083 161 2PX 0.05411 0.00589 0.01972 0.02481 -0.00599 162 2PY -0.00003 0.00333 -0.00118 0.00226 -0.00039 163 2PZ 0.02774 -0.00105 0.01112 -0.00961 -0.00412 164 3S -0.00276 0.00181 -0.00727 0.00403 -0.00147 165 3PX 0.04302 0.00797 0.01496 0.01284 -0.00315 166 3PY -0.01049 -0.00917 -0.00065 -0.00991 -0.00123 167 3PZ 0.02496 0.00564 0.01186 0.00644 -0.00386 168 4XX 0.00170 0.00394 0.00084 0.00307 0.00026 169 4YY -0.00169 -0.00184 0.00011 -0.00116 -0.00010 170 4ZZ 0.00040 -0.00224 -0.00090 -0.00129 -0.00023 171 4XY -0.00083 -0.00265 -0.00134 -0.00149 -0.00008 172 4XZ 0.00036 0.00043 0.00057 -0.00028 -0.00007 173 4YZ -0.00243 -0.00313 -0.00123 -0.00358 -0.00014 174 16 H 1S -0.00198 0.00182 0.00061 -0.00423 -0.00016 175 2S -0.00657 -0.00102 0.00091 -0.00982 -0.00018 176 17 H 1S 0.02034 -0.00386 -0.01134 -0.00078 -0.00022 177 2S 0.02617 0.00365 -0.01244 0.00667 0.00028 178 18 H 1S 0.00046 0.00972 0.00530 0.00139 0.00008 179 2S 0.00729 0.00633 -0.00237 0.00012 0.00074 180 19 H 1S -0.00478 -0.02012 -0.00649 -0.01301 -0.00031 181 2S -0.01425 -0.02383 -0.00530 -0.02551 -0.00458 182 20 H 1S -0.02953 -0.01404 0.00488 -0.00815 0.00033 183 2S -0.02850 -0.01789 0.00480 -0.01337 -0.00067 184 21 H 1S 0.00377 0.00140 -0.00195 0.01246 0.00035 185 2S 0.00975 0.00668 0.00045 0.01870 0.00029 186 22 H 1S 0.01568 -0.00284 -0.00665 0.00495 -0.00012 187 2S 0.02781 0.00370 -0.00431 0.01377 0.00000 188 23 H 1S -0.00334 0.03166 0.01294 0.01167 0.00042 189 2S 0.00322 0.05087 0.02065 0.02777 0.00044 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00025 0.00166 13 4XY 0.00016 0.00042 0.00146 14 4XZ 0.00086 -0.00048 0.00038 0.00147 15 4YZ -0.00001 -0.00006 -0.00045 -0.00023 0.00192 16 2 C 1S -0.00653 0.00345 0.00006 -0.00132 -0.00083 17 2S 0.01193 -0.00793 -0.00036 0.00307 0.00174 18 2PX -0.00091 -0.00234 -0.01259 0.00016 -0.00512 19 2PY 0.00800 -0.01007 0.00564 0.00448 -0.00033 20 2PZ 0.00079 -0.00383 -0.00419 0.00034 -0.01435 21 3S 0.01064 -0.00858 -0.00611 0.00376 0.00376 22 3PX 0.00135 -0.00232 -0.00720 0.00085 -0.00559 23 3PY 0.00339 -0.00223 0.00242 0.00203 0.00311 24 3PZ -0.00131 -0.00164 -0.00480 -0.00145 -0.00723 25 4XX -0.00034 0.00023 0.00016 0.00000 -0.00047 26 4YY -0.00010 -0.00026 -0.00008 -0.00023 0.00007 27 4ZZ -0.00026 0.00074 -0.00004 -0.00019 0.00022 28 4XY 0.00009 0.00003 0.00000 0.00036 -0.00055 29 4XZ -0.00023 -0.00019 -0.00036 0.00004 0.00017 30 4YZ -0.00007 -0.00022 -0.00055 -0.00018 0.00062 31 3 C 1S 0.00096 -0.00113 -0.00146 0.00001 0.00168 32 2S -0.00240 0.00264 0.00346 -0.00074 -0.00394 33 2PX -0.00309 0.00370 0.00387 -0.00314 -0.00432 34 2PY -0.00265 0.00408 0.00847 -0.00028 -0.00717 35 2PZ 0.00291 -0.00352 -0.00432 0.00326 0.00376 36 3S -0.00181 0.00211 0.00258 0.00120 -0.00487 37 3PX -0.00127 0.00287 0.00192 -0.00119 -0.00177 38 3PY 0.00102 0.00152 0.00349 0.00167 -0.00356 39 3PZ 0.00131 0.00097 -0.00042 -0.00022 0.00289 40 4XX -0.00007 0.00058 0.00016 -0.00060 0.00033 41 4YY 0.00019 0.00040 0.00003 0.00024 0.00008 42 4ZZ -0.00013 -0.00110 -0.00034 0.00016 -0.00022 43 4XY -0.00054 0.00069 0.00038 -0.00063 0.00005 44 4XZ 0.00030 -0.00005 -0.00031 0.00052 0.00015 45 4YZ 0.00052 0.00028 -0.00013 0.00021 0.00040 46 4 O 1S 0.00188 -0.00016 0.00471 0.00482 -0.00418 47 2S -0.00418 0.00086 -0.01092 -0.01113 0.00915 48 2PX -0.00840 0.01395 -0.00469 -0.02048 0.01400 49 2PY 0.01666 -0.00483 -0.01117 0.01393 0.00990 50 2PZ 0.00735 0.02319 0.01506 0.00362 0.00086 51 3S -0.00040 -0.00053 -0.01371 -0.00835 0.01642 52 3PX -0.00486 0.01122 -0.00027 -0.01240 0.00874 53 3PY 0.01107 -0.00302 -0.00647 0.00950 0.00554 54 3PZ 0.00453 0.01586 0.00908 0.00058 0.00238 55 4XX -0.00009 0.00032 -0.00036 -0.00026 -0.00009 56 4YY -0.00086 0.00021 0.00086 -0.00067 -0.00082 57 4ZZ 0.00012 -0.00011 0.00000 0.00029 -0.00035 58 4XY 0.00033 -0.00031 0.00003 0.00095 -0.00054 59 4XZ 0.00020 0.00014 0.00023 0.00045 0.00007 60 4YZ -0.00017 -0.00112 -0.00036 -0.00013 0.00011 61 5 H 1S -0.00132 0.00727 0.00489 -0.00218 -0.01376 62 2S -0.00113 0.00780 0.00502 -0.00105 -0.01000 63 6 H 1S 0.00065 0.00201 -0.00225 -0.00136 0.00731 64 2S -0.00249 0.00397 -0.00106 -0.00287 0.00648 65 7 H 1S 0.00013 -0.00360 -0.00183 0.00183 -0.00070 66 2S 0.00011 -0.00765 -0.00380 0.00289 -0.00147 67 8 O 1S -0.00114 -0.00041 -0.00019 -0.00019 0.00025 68 2S 0.00172 0.00103 0.00005 0.00040 -0.00048 69 2PX 0.00323 0.00311 0.00570 -0.00060 -0.00497 70 2PY 0.00526 0.00022 0.00352 0.00130 -0.00300 71 2PZ -0.00191 0.00376 -0.00394 -0.00219 0.00359 72 3S 0.00285 0.00163 0.00089 0.00220 -0.00022 73 3PX 0.00167 0.00235 0.00407 -0.00032 -0.00223 74 3PY 0.00393 0.00031 0.00218 0.00114 -0.00193 75 3PZ -0.00071 0.00284 -0.00122 -0.00133 0.00307 76 4XX 0.00009 -0.00001 -0.00047 -0.00004 -0.00020 77 4YY 0.00005 0.00004 0.00039 -0.00013 -0.00029 78 4ZZ -0.00010 -0.00004 -0.00010 0.00003 0.00046 79 4XY 0.00045 -0.00018 0.00033 0.00009 -0.00023 80 4XZ -0.00027 0.00014 -0.00002 -0.00007 -0.00020 81 4YZ -0.00028 0.00037 -0.00037 -0.00016 -0.00002 82 9 H 1S 0.00042 0.00137 0.00038 -0.00037 0.00170 83 2S 0.00069 0.00375 0.00106 -0.00177 0.00352 84 10 C 1S -0.00006 -0.00029 -0.00007 0.00015 -0.00021 85 2S 0.00020 0.00039 0.00073 -0.00017 0.00063 86 2PX 0.00040 -0.00168 -0.00111 0.00113 -0.00165 87 2PY 0.00036 0.00028 0.00003 -0.00034 0.00047 88 2PZ 0.00041 -0.00081 0.00003 0.00070 -0.00060 89 3S -0.00034 0.00144 -0.00062 -0.00230 0.00014 90 3PX 0.00066 -0.00194 -0.00071 0.00172 -0.00123 91 3PY 0.00015 0.00055 -0.00100 -0.00120 -0.00023 92 3PZ -0.00027 -0.00077 -0.00075 -0.00001 -0.00098 93 4XX 0.00003 -0.00002 -0.00027 -0.00005 -0.00026 94 4YY 0.00000 -0.00001 0.00012 0.00001 0.00010 95 4ZZ -0.00001 0.00004 0.00015 0.00003 0.00014 96 4XY 0.00009 0.00008 -0.00017 -0.00010 -0.00022 97 4XZ 0.00003 -0.00004 0.00000 0.00003 0.00001 98 4YZ 0.00004 0.00003 -0.00028 -0.00011 -0.00028 99 11 C 1S 0.00008 -0.00011 0.00037 0.00016 0.00043 100 2S -0.00001 0.00080 -0.00017 -0.00052 -0.00030 101 2PX -0.00030 -0.00015 0.00560 0.00163 0.00505 102 2PY -0.00009 0.00084 -0.00230 -0.00076 -0.00154 103 2PZ -0.00049 0.00001 0.00325 0.00149 0.00330 104 3S 0.00091 -0.00076 -0.00075 0.00093 -0.00172 105 3PX -0.00001 -0.00058 0.00378 0.00169 0.00389 106 3PY 0.00034 -0.00107 -0.00101 0.00100 -0.00112 107 3PZ -0.00014 -0.00012 0.00331 0.00148 0.00306 108 4XX 0.00001 -0.00011 -0.00023 0.00002 -0.00021 109 4YY 0.00000 0.00000 0.00013 0.00001 0.00009 110 4ZZ -0.00004 0.00012 -0.00002 -0.00009 0.00009 111 4XY -0.00002 0.00007 0.00010 -0.00005 0.00009 112 4XZ 0.00003 -0.00008 -0.00023 -0.00002 -0.00015 113 4YZ -0.00001 0.00007 0.00004 0.00000 0.00002 114 12 C 1S -0.00008 -0.00049 -0.00020 0.00000 -0.00011 115 2S 0.00002 0.00104 0.00069 0.00019 0.00086 116 2PX 0.00039 -0.00049 -0.00069 -0.00064 -0.00045 117 2PY 0.00053 0.00051 -0.00008 -0.00001 -0.00028 118 2PZ 0.00052 -0.00123 -0.00080 -0.00047 -0.00108 119 3S 0.00032 0.00203 0.00000 -0.00124 -0.00021 120 3PX -0.00016 -0.00013 -0.00060 -0.00079 0.00027 121 3PY 0.00051 0.00008 -0.00040 -0.00020 -0.00075 122 3PZ 0.00046 -0.00077 -0.00015 0.00018 -0.00029 123 4XX 0.00000 -0.00004 0.00007 0.00003 0.00007 124 4YY -0.00001 -0.00001 0.00012 0.00006 0.00013 125 4ZZ -0.00001 -0.00004 -0.00025 -0.00009 -0.00020 126 4XY -0.00002 0.00004 0.00000 -0.00003 0.00001 127 4XZ 0.00006 -0.00010 -0.00029 -0.00008 -0.00030 128 4YZ 0.00002 0.00001 0.00005 -0.00005 0.00005 129 13 C 1S 0.00003 -0.00062 -0.00037 -0.00066 -0.00023 130 2S -0.00028 0.00051 0.00055 0.00101 0.00046 131 2PX 0.00017 -0.00050 0.00007 -0.00114 0.00049 132 2PY -0.00039 -0.00047 -0.00037 0.00007 -0.00025 133 2PZ 0.00087 -0.00155 -0.00067 -0.00210 -0.00104 134 3S -0.00173 0.00033 0.00252 0.00128 0.00140 135 3PX 0.00055 0.00056 0.00074 -0.00019 0.00029 136 3PY -0.00030 -0.00096 -0.00040 0.00011 -0.00086 137 3PZ -0.00003 -0.00251 -0.00078 -0.00054 -0.00120 138 4XX 0.00004 0.00005 -0.00009 -0.00012 -0.00013 139 4YY 0.00009 0.00005 0.00006 -0.00001 0.00004 140 4ZZ -0.00008 -0.00017 0.00003 0.00016 0.00000 141 4XY 0.00002 0.00000 0.00001 -0.00005 0.00000 142 4XZ -0.00004 -0.00017 -0.00001 -0.00002 0.00001 143 4YZ -0.00002 -0.00005 -0.00004 -0.00003 -0.00004 144 14 C 1S -0.00015 0.00005 -0.00065 -0.00087 -0.00069 145 2S -0.00073 -0.00093 0.00176 0.00216 0.00189 146 2PX 0.00200 0.00299 -0.00232 -0.00445 -0.00161 147 2PY 0.00234 0.00031 0.00081 -0.00155 0.00050 148 2PZ 0.00114 0.00308 -0.00135 -0.00101 -0.00103 149 3S -0.00222 -0.00433 -0.00025 0.00175 0.00000 150 3PX 0.00123 0.00193 -0.00167 -0.00305 -0.00253 151 3PY 0.00109 0.00251 0.00187 -0.00075 0.00115 152 3PZ 0.00142 0.00258 -0.00109 -0.00144 0.00021 153 4XX 0.00004 0.00018 -0.00038 -0.00023 -0.00043 154 4YY 0.00015 -0.00003 0.00013 0.00003 0.00015 155 4ZZ -0.00007 0.00003 0.00018 0.00010 0.00011 156 4XY 0.00001 -0.00004 -0.00002 0.00010 -0.00003 157 4XZ 0.00004 0.00003 -0.00006 -0.00003 -0.00023 158 4YZ -0.00001 -0.00010 0.00001 0.00000 -0.00001 159 15 C 1S -0.00013 -0.00029 0.00016 0.00048 -0.00029 160 2S -0.00023 0.00012 -0.00026 -0.00093 0.00044 161 2PX 0.00213 0.00134 -0.00434 -0.00196 -0.00518 162 2PY -0.00021 -0.00021 -0.00101 -0.00047 -0.00091 163 2PZ 0.00110 0.00081 -0.00387 -0.00188 -0.00431 164 3S 0.00113 0.00125 0.00143 0.00108 0.00187 165 3PX 0.00075 0.00016 -0.00423 -0.00207 -0.00492 166 3PY 0.00027 0.00052 -0.00158 -0.00124 -0.00050 167 3PZ 0.00119 0.00130 -0.00243 -0.00099 -0.00297 168 4XX -0.00010 -0.00016 0.00005 0.00017 0.00001 169 4YY 0.00008 0.00007 0.00004 -0.00010 0.00007 170 4ZZ 0.00001 0.00017 -0.00002 -0.00012 0.00000 171 4XY 0.00001 0.00011 -0.00003 -0.00007 -0.00001 172 4XZ 0.00004 -0.00001 0.00000 -0.00003 -0.00008 173 4YZ 0.00004 0.00009 -0.00001 -0.00009 0.00002 174 16 H 1S -0.00019 -0.00006 -0.00041 -0.00004 -0.00040 175 2S -0.00042 0.00012 -0.00103 -0.00048 -0.00077 176 17 H 1S 0.00017 -0.00023 0.00115 0.00025 0.00057 177 2S 0.00015 -0.00083 0.00147 0.00089 0.00104 178 18 H 1S -0.00031 0.00031 0.00088 0.00045 0.00090 179 2S -0.00072 0.00003 0.00119 0.00037 0.00185 180 19 H 1S 0.00002 0.00078 -0.00020 0.00019 -0.00044 181 2S 0.00153 0.00304 -0.00010 -0.00038 0.00012 182 20 H 1S 0.00113 -0.00055 0.00138 0.00012 0.00127 183 2S 0.00161 -0.00051 0.00017 -0.00046 0.00062 184 21 H 1S -0.00008 0.00003 -0.00004 -0.00002 0.00023 185 2S -0.00018 0.00021 0.00047 0.00056 0.00024 186 22 H 1S 0.00033 -0.00055 -0.00128 -0.00051 -0.00126 187 2S 0.00034 -0.00111 -0.00256 -0.00036 -0.00282 188 23 H 1S -0.00006 -0.00122 -0.00009 -0.00067 -0.00002 189 2S -0.00015 -0.00139 -0.00070 -0.00052 -0.00017 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.06339 0.33290 18 2PX -0.01202 0.01859 0.34624 19 2PY -0.00509 0.01307 -0.04018 0.43068 20 2PZ 0.01512 -0.02722 0.02212 0.02895 0.37886 21 3S -0.17197 0.27240 0.09824 -0.01729 -0.02425 22 3PX -0.01876 0.03662 0.16687 -0.03763 0.08370 23 3PY -0.00737 0.00401 -0.05108 0.12291 -0.01637 24 3PZ 0.00258 -0.01656 0.08141 -0.01251 0.16320 25 4XX -0.01177 -0.01308 -0.01163 -0.00702 0.01128 26 4YY -0.01725 -0.00102 0.00621 0.01259 -0.00555 27 4ZZ -0.01571 -0.00410 0.00186 -0.01308 -0.00482 28 4XY 0.00020 -0.00034 -0.00115 -0.00496 0.01135 29 4XZ 0.00345 -0.00810 0.01109 0.00918 -0.00700 30 4YZ -0.00424 0.00860 0.01263 -0.00763 -0.00938 31 3 C 1S -0.00316 0.00630 -0.00913 0.01013 0.00382 32 2S 0.00672 -0.01757 0.02191 -0.03217 -0.01023 33 2PX 0.01114 -0.02807 0.02079 -0.01613 -0.02274 34 2PY -0.00216 0.00472 -0.03527 -0.02095 0.03812 35 2PZ -0.00867 0.02123 -0.03435 0.02125 0.00274 36 3S 0.00989 -0.01228 0.04433 -0.05396 -0.00803 37 3PX 0.00779 -0.01318 0.01209 -0.01700 -0.01132 38 3PY -0.00138 0.00392 -0.03150 -0.00049 0.03295 39 3PZ -0.00627 0.01182 -0.03282 0.02177 -0.00864 40 4XX -0.00162 0.00400 -0.00734 -0.00167 0.00611 41 4YY 0.00217 -0.00464 0.00889 0.00518 -0.00718 42 4ZZ -0.00094 0.00176 -0.00480 -0.00206 0.00339 43 4XY 0.00103 -0.00239 0.00014 -0.00067 -0.00422 44 4XZ 0.00005 -0.00046 0.00444 -0.00026 -0.00261 45 4YZ 0.00001 -0.00012 -0.00417 0.00251 -0.00146 46 4 O 1S -0.00177 0.00495 -0.00445 0.00161 0.00858 47 2S 0.00716 -0.01547 0.01395 -0.01725 -0.01592 48 2PX 0.01255 -0.02724 -0.07076 -0.03227 -0.04715 49 2PY -0.02271 0.05459 -0.02748 0.05826 0.01357 50 2PZ 0.00196 -0.00180 -0.04869 0.05133 -0.05761 51 3S -0.00337 -0.00397 0.01641 0.03059 -0.06692 52 3PX 0.00940 -0.02044 -0.05942 -0.01725 -0.04763 53 3PY -0.01410 0.03730 -0.01905 0.03991 0.01444 54 3PZ 0.00232 -0.00380 -0.04772 0.04124 -0.05140 55 4XX 0.00027 0.00014 0.00368 -0.00416 0.00503 56 4YY 0.00139 -0.00234 0.00091 -0.00259 0.00125 57 4ZZ 0.00101 -0.00119 -0.00256 -0.00249 -0.00056 58 4XY 0.00070 -0.00154 0.00302 -0.00608 0.00085 59 4XZ 0.00006 -0.00020 0.00117 -0.00136 -0.00027 60 4YZ -0.00092 0.00213 -0.00170 0.00473 0.00040 61 5 H 1S 0.01654 -0.03648 -0.00835 -0.04028 0.00074 62 2S 0.02040 -0.04061 -0.02371 -0.06415 0.00803 63 6 H 1S -0.06821 0.13567 0.06586 -0.16908 -0.19084 64 2S -0.02048 0.04650 0.03969 -0.13836 -0.15454 65 7 H 1S -0.00289 0.00541 -0.00917 -0.00539 0.00811 66 2S -0.00328 0.00505 0.00162 -0.00263 0.02478 67 8 O 1S 0.00537 -0.00688 0.02953 0.00844 -0.02341 68 2S -0.00989 0.01075 -0.06594 -0.03102 0.05396 69 2PX -0.05683 0.12362 -0.16678 -0.10844 0.18556 70 2PY -0.02553 0.05175 -0.09878 -0.03187 0.06640 71 2PZ 0.03477 -0.06519 0.17838 0.07021 -0.08060 72 3S 0.01400 -0.02637 -0.06856 0.04041 0.04692 73 3PX -0.02659 0.06227 -0.10144 -0.05736 0.09083 74 3PY -0.01948 0.03883 -0.07150 -0.02515 0.04920 75 3PZ 0.01512 -0.02654 0.08267 0.04079 -0.05650 76 4XX -0.00368 0.00604 0.00642 -0.00824 0.00738 77 4YY -0.00126 0.00121 -0.00467 -0.00050 0.00290 78 4ZZ -0.00089 0.00059 -0.00145 -0.00487 -0.00970 79 4XY -0.00464 0.00907 -0.00889 0.00339 0.01056 80 4XZ 0.00489 -0.00779 0.00430 0.00310 0.00129 81 4YZ 0.00277 -0.00505 0.01130 -0.00410 -0.00183 82 9 H 1S -0.00481 0.01265 -0.02123 -0.00580 0.01275 83 2S -0.00437 0.01311 -0.04170 0.00555 0.00477 84 10 C 1S -0.00177 0.00264 0.00503 -0.00170 0.00223 85 2S 0.00269 -0.00451 -0.01912 0.00505 -0.00609 86 2PX -0.00918 0.02098 0.03134 -0.01827 0.00577 87 2PY 0.00007 0.00007 -0.00231 0.00155 -0.00213 88 2PZ -0.00379 0.01059 0.00560 -0.01158 -0.00876 89 3S 0.00657 -0.01521 0.01144 0.00919 -0.00453 90 3PX -0.00947 0.02237 0.02157 -0.01859 0.00993 91 3PY -0.00149 0.00031 0.01375 -0.00226 0.00725 92 3PZ -0.00354 0.00661 0.02093 -0.01555 0.00058 93 4XX -0.00071 0.00088 0.00527 -0.00107 0.00439 94 4YY 0.00004 -0.00016 -0.00264 0.00085 -0.00130 95 4ZZ -0.00029 0.00024 -0.00290 0.00015 -0.00243 96 4XY -0.00017 0.00053 0.00298 -0.00045 0.00269 97 4XZ -0.00039 0.00088 0.00047 -0.00018 -0.00039 98 4YZ -0.00066 0.00094 0.00435 -0.00115 0.00363 99 11 C 1S -0.00195 0.00085 -0.00436 -0.00057 -0.00770 100 2S 0.00260 -0.01172 0.00249 0.00519 0.01088 101 2PX 0.00840 -0.01017 -0.10001 0.02522 -0.08811 102 2PY -0.00426 0.00285 0.03471 -0.01766 0.02312 103 2PZ 0.00242 -0.00667 -0.05642 0.00963 -0.05943 104 3S 0.00480 0.00187 0.00871 -0.00304 0.03423 105 3PX -0.00167 0.00233 -0.06597 0.01546 -0.06250 106 3PY -0.00190 0.00683 0.01516 -0.00278 0.01955 107 3PZ 0.00394 -0.00718 -0.05402 0.01962 -0.05025 108 4XX -0.00149 0.00263 0.00495 -0.00345 0.00290 109 4YY 0.00012 -0.00134 -0.00229 0.00230 -0.00079 110 4ZZ -0.00031 -0.00051 -0.00005 -0.00011 -0.00138 111 4XY 0.00016 -0.00064 -0.00255 -0.00040 -0.00184 112 4XZ -0.00081 0.00232 0.00540 -0.00261 0.00199 113 4YZ 0.00007 -0.00042 -0.00117 -0.00041 -0.00099 114 12 C 1S -0.00159 0.00231 0.00600 -0.00138 0.00521 115 2S 0.00236 -0.00723 -0.01599 0.00411 -0.01805 116 2PX -0.00275 0.00838 0.01450 -0.00285 0.01390 117 2PY 0.00037 0.00112 -0.00149 0.00184 0.00167 118 2PZ -0.00218 0.01165 0.01966 -0.00130 0.01862 119 3S 0.00253 -0.00744 -0.01128 -0.00166 -0.00079 120 3PX -0.00446 0.00430 0.01169 -0.00523 -0.00413 121 3PY 0.00152 0.00070 0.00825 0.00238 0.00977 122 3PZ -0.00310 0.00599 0.00172 0.00093 0.00678 123 4XX -0.00041 0.00046 -0.00106 -0.00006 -0.00135 124 4YY 0.00002 -0.00043 -0.00241 0.00090 -0.00246 125 4ZZ -0.00071 0.00039 0.00460 -0.00118 0.00367 126 4XY 0.00011 -0.00044 -0.00026 -0.00006 -0.00018 127 4XZ -0.00080 0.00161 0.00571 -0.00110 0.00603 128 4YZ 0.00005 -0.00026 -0.00064 0.00024 -0.00063 129 13 C 1S -0.00135 0.00251 0.00750 -0.00026 0.00677 130 2S 0.00330 -0.00445 -0.01644 0.00227 -0.01384 131 2PX -0.00010 0.00034 -0.00554 0.00294 -0.00340 132 2PY -0.00130 0.00180 0.00832 -0.00295 0.00668 133 2PZ -0.00447 0.00621 0.02321 0.00039 0.01784 134 3S 0.00485 -0.00905 -0.04200 -0.00887 -0.03621 135 3PX 0.00199 -0.00102 -0.01625 0.00246 -0.00603 136 3PY 0.00085 -0.00100 0.00749 -0.00145 0.01047 137 3PZ -0.00127 0.00195 0.01818 0.00014 0.01479 138 4XX -0.00017 0.00043 0.00142 0.00010 0.00137 139 4YY 0.00005 -0.00014 -0.00112 0.00098 -0.00090 140 4ZZ 0.00010 -0.00005 0.00045 -0.00111 0.00048 141 4XY -0.00010 -0.00003 -0.00026 0.00047 -0.00017 142 4XZ -0.00018 0.00024 0.00165 -0.00062 0.00134 143 4YZ -0.00019 -0.00007 0.00050 -0.00021 0.00023 144 14 C 1S -0.00096 0.00309 0.00603 0.00166 0.00544 145 2S 0.00325 -0.00398 -0.01973 -0.00257 -0.01611 146 2PX -0.00345 0.00804 0.00551 0.02187 0.01143 147 2PY -0.00442 0.00652 0.00669 0.01613 0.00647 148 2PZ -0.00067 0.00424 0.00168 0.01219 0.00574 149 3S -0.00040 -0.00632 0.01556 -0.00883 0.00403 150 3PX -0.00319 0.00583 0.01655 0.01832 0.02251 151 3PY 0.00096 0.00157 -0.02129 0.00074 -0.01489 152 3PZ -0.00134 0.00436 0.00021 0.01983 -0.00080 153 4XX -0.00050 0.00121 0.00643 -0.00220 0.00551 154 4YY -0.00011 0.00041 -0.00097 0.00126 -0.00060 155 4ZZ 0.00057 -0.00090 -0.00319 0.00002 -0.00256 156 4XY -0.00027 0.00041 0.00143 0.00056 0.00100 157 4XZ -0.00026 0.00034 0.00303 -0.00109 0.00228 158 4YZ -0.00015 0.00011 0.00055 0.00046 0.00053 159 15 C 1S -0.00069 0.00058 0.00296 0.00009 0.00128 160 2S 0.00137 -0.00173 -0.00818 0.00136 -0.00389 161 2PX -0.01088 0.02271 0.07788 -0.01169 0.05914 162 2PY -0.00261 0.00401 0.01578 -0.00431 0.01023 163 2PZ -0.00737 0.01700 0.05638 -0.01181 0.04336 164 3S 0.00208 0.00403 -0.03499 0.00091 -0.02193 165 3PX -0.00807 0.01432 0.07610 -0.01110 0.05781 166 3PY -0.00240 0.00316 0.02120 0.00161 0.01051 167 3PZ -0.00512 0.01319 0.03849 -0.01334 0.03313 168 4XX -0.00017 0.00011 0.00104 -0.00106 0.00011 169 4YY -0.00007 0.00011 -0.00086 0.00089 -0.00024 170 4ZZ -0.00009 0.00012 -0.00078 0.00044 -0.00054 171 4XY 0.00015 -0.00040 -0.00032 0.00083 0.00062 172 4XZ -0.00014 0.00022 0.00094 0.00028 0.00048 173 4YZ 0.00012 -0.00031 -0.00042 0.00109 0.00030 174 16 H 1S -0.00015 -0.00040 0.00506 -0.00070 0.00683 175 2S -0.00151 0.00011 0.01519 -0.00607 0.00960 176 17 H 1S 0.00407 -0.00632 -0.01725 0.01445 -0.00485 177 2S 0.00291 -0.00295 -0.02258 0.01729 -0.01180 178 18 H 1S 0.00210 -0.00547 -0.01760 0.00283 -0.01904 179 2S 0.00287 -0.00626 -0.01632 0.00558 -0.03810 180 19 H 1S 0.00008 0.00018 0.00265 -0.00031 0.00232 181 2S -0.00157 0.00339 -0.00523 0.00814 -0.00184 182 20 H 1S -0.00154 0.00207 -0.00480 0.00972 -0.00401 183 2S -0.00262 0.00378 0.00466 0.01646 0.00643 184 21 H 1S -0.00005 -0.00019 -0.00044 -0.00075 -0.00029 185 2S 0.00058 -0.00104 -0.00610 -0.00445 -0.00388 186 22 H 1S -0.00262 0.00803 0.02530 -0.00458 0.02413 187 2S -0.00279 0.01136 0.05153 -0.00984 0.05073 188 23 H 1S -0.00124 0.00103 0.00605 -0.00207 0.00384 189 2S -0.00320 0.00339 0.02199 -0.00742 0.01343 21 22 23 24 25 21 3S 0.30219 22 3PX 0.06502 0.10753 23 3PY 0.00113 -0.03281 0.05314 24 3PZ 0.01242 0.06595 -0.02386 0.09331 25 4XX -0.01109 -0.00268 -0.00135 0.00337 0.00284 26 4YY -0.00004 -0.00020 0.00171 -0.00081 -0.00081 27 4ZZ -0.00312 0.00076 -0.00225 -0.00239 -0.00057 28 4XY -0.00071 0.00124 -0.00301 0.00446 0.00068 29 4XZ -0.00263 0.00148 0.00128 0.00020 -0.00036 30 4YZ 0.01358 0.00464 -0.00211 -0.00057 -0.00059 31 3 C 1S 0.00670 -0.00601 0.00711 0.00105 -0.00035 32 2S -0.01118 0.01085 -0.01567 0.00196 0.00109 33 2PX -0.04028 0.01472 -0.00222 -0.01111 0.00363 34 2PY -0.01440 -0.02859 -0.02782 0.02412 0.00023 35 2PZ 0.03381 -0.02621 0.00353 -0.00500 -0.00250 36 3S 0.00695 0.01789 -0.02482 0.01202 -0.00050 37 3PX -0.01714 0.00542 -0.00310 -0.00397 -0.00005 38 3PY -0.00615 -0.00955 -0.00235 0.00881 0.00246 39 3PZ 0.00196 -0.02105 0.01079 -0.01369 -0.00320 40 4XX 0.00033 -0.00298 0.00046 0.00145 -0.00073 41 4YY -0.00421 0.00355 0.00211 -0.00332 -0.00023 42 4ZZ 0.00361 -0.00142 -0.00189 0.00199 0.00112 43 4XY -0.00110 -0.00345 -0.00191 0.00079 0.00018 44 4XZ 0.00243 0.00084 -0.00050 -0.00028 -0.00044 45 4YZ 0.00005 -0.00060 0.00299 -0.00241 0.00103 46 4 O 1S -0.01910 0.00040 -0.00865 0.00034 0.00017 47 2S 0.03950 0.00019 0.01380 0.00415 -0.00013 48 2PX -0.05188 -0.06279 0.00292 -0.01594 -0.00182 49 2PY 0.11863 0.01234 0.06999 -0.02558 0.00128 50 2PZ -0.02244 -0.04574 0.04212 -0.04498 -0.00149 51 3S 0.06990 -0.00816 0.04759 -0.02586 -0.00332 52 3PX -0.04010 -0.05123 0.00649 -0.02008 -0.00100 53 3PY 0.07832 0.00951 0.04589 -0.01459 0.00137 54 3PZ -0.02352 -0.03958 0.03265 -0.03823 -0.00132 55 4XX 0.00129 0.00203 -0.00205 0.00335 -0.00005 56 4YY -0.00668 0.00009 -0.00370 0.00189 0.00012 57 4ZZ -0.00189 -0.00056 -0.00107 -0.00081 0.00028 58 4XY 0.00119 0.00307 -0.00152 0.00019 0.00034 59 4XZ 0.00024 0.00084 0.00009 -0.00043 0.00007 60 4YZ 0.00089 -0.00049 0.00055 0.00013 -0.00012 61 5 H 1S -0.06702 0.00166 -0.02501 0.00184 0.00286 62 2S -0.06604 -0.00133 -0.02215 -0.00052 0.00381 63 6 H 1S 0.13824 0.01468 -0.04019 -0.06420 -0.01029 64 2S 0.05310 -0.00281 -0.02939 -0.05322 -0.00708 65 7 H 1S 0.02075 -0.00569 -0.00941 0.00565 0.00242 66 2S 0.03059 0.00485 -0.01304 0.01771 0.00650 67 8 O 1S 0.03365 -0.00190 0.00927 0.00882 -0.00408 68 2S -0.08565 0.00927 -0.02011 -0.02164 0.01018 69 2PX 0.03602 -0.02838 -0.01436 0.03336 -0.00969 70 2PY 0.06393 0.00550 0.04342 0.00090 0.01249 71 2PZ -0.07380 0.06530 0.02441 -0.03152 -0.02964 72 3S -0.14496 0.00225 -0.00577 -0.03626 0.00913 73 3PX 0.00385 -0.02096 -0.00218 0.00666 -0.00840 74 3PY 0.04541 0.00213 0.02760 0.00150 0.00828 75 3PZ -0.04402 0.02602 0.01820 -0.02939 -0.02040 76 4XX 0.00706 0.00485 -0.00343 0.00474 -0.00053 77 4YY 0.00256 -0.00001 0.00238 0.00049 0.00073 78 4ZZ 0.00267 -0.00309 -0.00096 -0.00348 -0.00006 79 4XY 0.00460 -0.00132 0.00224 0.00177 -0.00044 80 4XZ -0.00512 0.00089 0.00065 0.00175 -0.00015 81 4YZ -0.00392 0.00492 -0.00177 0.00036 -0.00104 82 9 H 1S 0.00895 -0.01223 -0.00077 0.00416 -0.00346 83 2S -0.00499 -0.02402 0.00972 -0.00725 -0.00562 84 10 C 1S 0.00361 0.00659 -0.00256 0.00154 -0.00079 85 2S -0.01130 -0.01009 0.00681 -0.01149 0.00083 86 2PX 0.05382 0.00582 -0.01977 0.02462 -0.00597 87 2PY 0.00014 -0.00333 -0.00111 -0.00218 0.00039 88 2PZ 0.02755 -0.00108 -0.01112 -0.00974 -0.00411 89 3S -0.00258 0.00197 0.00723 0.00418 -0.00147 90 3PX 0.04271 0.00782 -0.01494 0.01263 -0.00314 91 3PY 0.01057 0.00925 -0.00065 0.01001 0.00123 92 3PZ 0.02485 0.00565 -0.01188 0.00641 -0.00384 93 4XX 0.00169 0.00393 -0.00085 0.00308 0.00026 94 4YY -0.00170 -0.00184 -0.00011 -0.00117 -0.00010 95 4ZZ 0.00040 -0.00224 0.00089 -0.00129 -0.00022 96 4XY 0.00083 0.00267 -0.00134 0.00150 0.00008 97 4XZ 0.00036 0.00043 -0.00057 -0.00028 -0.00007 98 4YZ 0.00242 0.00314 -0.00124 0.00359 0.00014 99 11 C 1S 0.01939 0.00116 0.00041 0.00289 -0.00166 100 2S -0.00896 -0.00241 0.00592 0.00279 0.00290 101 2PX -0.03365 -0.06900 0.01878 -0.07198 -0.00639 102 2PY 0.03749 0.02651 0.00962 0.01845 0.00236 103 2PZ 0.01777 -0.05822 0.01996 -0.02547 -0.00505 104 3S 0.00630 0.01128 -0.00143 0.01274 0.00710 105 3PX -0.00812 -0.04898 0.01368 -0.04713 -0.00462 106 3PY 0.01658 0.01404 -0.00008 0.01039 0.00312 107 3PZ -0.00655 -0.04816 0.01789 -0.03225 -0.00457 108 4XX 0.00471 0.00306 -0.00193 0.00246 -0.00044 109 4YY -0.00363 -0.00184 -0.00001 -0.00113 0.00003 110 4ZZ -0.00023 0.00014 0.00089 -0.00026 0.00011 111 4XY -0.00142 -0.00135 -0.00003 -0.00168 0.00002 112 4XZ 0.00284 0.00369 -0.00203 0.00204 -0.00022 113 4YZ 0.00038 -0.00132 0.00011 0.00000 -0.00008 114 12 C 1S 0.00605 0.00469 -0.00098 0.00664 -0.00063 115 2S -0.00121 -0.01724 0.01047 -0.00696 0.00056 116 2PX 0.00164 0.02393 -0.00747 0.00780 -0.00092 117 2PY -0.00808 -0.00044 -0.00127 -0.00013 0.00003 118 2PZ -0.01877 0.03169 -0.02060 0.00119 -0.00036 119 3S 0.00829 -0.00607 0.01293 0.00627 0.00264 120 3PX 0.00073 0.01151 -0.00523 0.00039 -0.00163 121 3PY -0.00019 0.00631 -0.00019 0.00483 -0.00104 122 3PZ -0.00601 0.01035 -0.00825 -0.00124 0.00221 123 4XX 0.00009 -0.00075 -0.00012 -0.00115 -0.00015 124 4YY -0.00192 -0.00187 0.00015 -0.00175 -0.00006 125 4ZZ 0.00176 0.00344 -0.00076 0.00269 0.00024 126 4XY -0.00003 -0.00086 0.00052 -0.00002 0.00009 127 4XZ 0.00100 0.00534 -0.00189 0.00366 0.00014 128 4YZ 0.00124 -0.00131 0.00081 0.00021 -0.00006 129 13 C 1S 0.00525 0.00501 -0.00098 0.00473 0.00003 130 2S -0.02178 -0.00781 -0.00159 -0.01518 0.00002 131 2PX 0.00056 -0.01196 0.00920 -0.00203 0.00010 132 2PY 0.00372 0.01241 -0.00421 0.00044 0.00020 133 2PZ 0.04391 0.01019 0.00921 0.02312 -0.00036 134 3S -0.04202 -0.02846 -0.00531 -0.03146 -0.00109 135 3PX -0.00316 -0.01263 0.00703 -0.00619 0.00047 136 3PY 0.00211 0.00968 -0.00078 0.00394 0.00025 137 3PZ 0.02036 0.00944 0.00151 0.01534 -0.00020 138 4XX 0.00139 0.00147 -0.00037 0.00129 0.00000 139 4YY 0.00026 -0.00078 0.00090 -0.00035 0.00006 140 4ZZ -0.00033 -0.00014 -0.00036 -0.00008 0.00003 141 4XY 0.00040 -0.00081 0.00055 0.00005 0.00005 142 4XZ 0.00187 0.00006 0.00044 0.00093 -0.00004 143 4YZ 0.00164 -0.00037 0.00061 0.00080 0.00002 144 14 C 1S -0.00389 0.00527 -0.00344 0.00096 -0.00015 145 2S -0.01547 -0.01585 0.00097 -0.01388 0.00009 146 2PX 0.01232 0.01451 0.00292 0.02189 0.00099 147 2PY 0.04112 0.00810 0.01502 0.00949 -0.00029 148 2PZ -0.01990 0.01706 -0.01068 -0.00462 0.00081 149 3S -0.00130 0.00102 -0.00790 0.00824 0.00049 150 3PX 0.00674 0.01968 -0.00152 0.02266 0.00095 151 3PY 0.00008 -0.01039 0.00612 -0.01132 -0.00074 152 3PZ -0.00726 0.01000 0.00095 -0.00260 0.00042 153 4XX 0.00313 0.00457 -0.00248 0.00449 0.00002 154 4YY 0.00160 -0.00070 0.00134 -0.00045 -0.00003 155 4ZZ -0.00306 -0.00203 0.00064 -0.00256 -0.00003 156 4XY 0.00030 0.00087 0.00000 0.00032 -0.00001 157 4XZ 0.00172 0.00156 -0.00055 0.00176 0.00002 158 4YZ 0.00055 0.00014 0.00041 0.00046 0.00004 159 15 C 1S 0.00390 0.00128 0.00151 0.00188 -0.00022 160 2S -0.00675 -0.00636 -0.00183 -0.00092 0.00029 161 2PX 0.05245 0.05993 -0.02895 0.04680 -0.00077 162 2PY 0.01285 0.01206 -0.00203 0.01426 -0.00019 163 2PZ 0.03688 0.04013 -0.02429 0.04468 0.00000 164 3S -0.01677 -0.01880 -0.00027 -0.02378 -0.00100 165 3PX 0.04054 0.05298 -0.02564 0.04992 0.00035 166 3PY 0.01633 0.01498 0.00051 0.01451 0.00038 167 3PZ 0.02597 0.03152 -0.01799 0.02778 0.00045 168 4XX 0.00024 -0.00003 -0.00019 -0.00002 -0.00005 169 4YY 0.00068 -0.00029 0.00078 -0.00031 0.00003 170 4ZZ -0.00088 -0.00002 -0.00009 -0.00039 -0.00002 171 4XY -0.00199 0.00069 0.00034 -0.00057 0.00023 172 4XZ 0.00100 0.00051 0.00015 0.00056 -0.00002 173 4YZ -0.00082 0.00007 0.00064 0.00064 0.00018 174 16 H 1S 0.00375 0.00142 0.00190 0.01246 0.00035 175 2S 0.00974 0.00674 -0.00052 0.01875 0.00029 176 17 H 1S -0.02945 -0.01401 -0.00483 -0.00814 0.00033 177 2S -0.02842 -0.01788 -0.00474 -0.01338 -0.00067 178 18 H 1S -0.00475 -0.02016 0.00650 -0.01304 -0.00031 179 2S -0.01426 -0.02392 0.00534 -0.02562 -0.00458 180 19 H 1S 0.00045 0.00975 -0.00533 0.00139 0.00007 181 2S 0.00730 0.00641 0.00231 0.00016 0.00073 182 20 H 1S 0.02040 -0.00386 0.01138 -0.00075 -0.00023 183 2S 0.02627 0.00371 0.01247 0.00676 0.00028 184 21 H 1S -0.00202 0.00181 -0.00061 -0.00425 -0.00016 185 2S -0.00666 -0.00107 -0.00089 -0.00990 -0.00018 186 22 H 1S -0.00342 0.03164 -0.01291 0.01170 0.00042 187 2S 0.00307 0.05084 -0.02064 0.02778 0.00044 188 23 H 1S 0.01568 -0.00286 0.00665 0.00498 -0.00012 189 2S 0.02779 0.00369 0.00429 0.01382 0.00001 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00025 0.00166 28 4XY -0.00016 -0.00042 0.00146 29 4XZ 0.00086 -0.00048 -0.00038 0.00146 30 4YZ 0.00001 0.00006 -0.00046 0.00023 0.00192 31 3 C 1S 0.00097 -0.00114 0.00146 0.00001 -0.00168 32 2S -0.00241 0.00264 -0.00346 -0.00075 0.00393 33 2PX -0.00311 0.00372 -0.00387 -0.00315 0.00431 34 2PY 0.00267 -0.00409 0.00847 0.00030 -0.00716 35 2PZ 0.00293 -0.00354 0.00434 0.00327 -0.00376 36 3S -0.00182 0.00212 -0.00259 0.00119 0.00486 37 3PX -0.00128 0.00288 -0.00192 -0.00119 0.00177 38 3PY -0.00101 -0.00153 0.00350 -0.00166 -0.00356 39 3PZ 0.00132 0.00095 0.00043 -0.00021 -0.00290 40 4XX -0.00007 0.00058 -0.00016 -0.00060 -0.00034 41 4YY 0.00019 0.00040 -0.00003 0.00024 -0.00008 42 4ZZ -0.00013 -0.00110 0.00034 0.00016 0.00022 43 4XY 0.00054 -0.00069 0.00038 0.00063 0.00005 44 4XZ 0.00030 -0.00005 0.00031 0.00052 -0.00015 45 4YZ -0.00052 -0.00027 -0.00013 -0.00022 0.00040 46 4 O 1S -0.00113 -0.00041 0.00019 -0.00019 -0.00025 47 2S 0.00172 0.00103 -0.00005 0.00040 0.00048 48 2PX 0.00322 0.00312 -0.00571 -0.00061 0.00497 49 2PY -0.00525 -0.00023 0.00352 -0.00129 -0.00300 50 2PZ -0.00191 0.00375 0.00396 -0.00218 -0.00361 51 3S 0.00284 0.00163 -0.00090 0.00219 0.00023 52 3PX 0.00166 0.00236 -0.00407 -0.00033 0.00223 53 3PY -0.00393 -0.00032 0.00219 -0.00113 -0.00193 54 3PZ -0.00071 0.00283 0.00123 -0.00133 -0.00308 55 4XX 0.00009 -0.00001 0.00046 -0.00004 0.00020 56 4YY 0.00005 0.00004 -0.00039 -0.00013 0.00029 57 4ZZ -0.00010 -0.00004 0.00010 0.00003 -0.00046 58 4XY -0.00045 0.00017 0.00033 -0.00009 -0.00023 59 4XZ -0.00027 0.00014 0.00002 -0.00007 0.00019 60 4YZ 0.00028 -0.00037 -0.00037 0.00016 -0.00001 61 5 H 1S 0.00068 0.00199 0.00224 -0.00135 -0.00733 62 2S -0.00246 0.00396 0.00105 -0.00287 -0.00651 63 6 H 1S -0.00134 0.00728 -0.00492 -0.00221 0.01374 64 2S -0.00115 0.00780 -0.00505 -0.00107 0.00998 65 7 H 1S 0.00013 -0.00360 0.00183 0.00183 0.00071 66 2S 0.00011 -0.00764 0.00380 0.00289 0.00149 67 8 O 1S 0.00186 -0.00015 -0.00472 0.00481 0.00419 68 2S -0.00415 0.00084 0.01095 -0.01111 -0.00917 69 2PX -0.00835 0.01392 0.00472 -0.02045 -0.01407 70 2PY -0.01672 0.00483 -0.01111 -0.01398 0.00986 71 2PZ 0.00732 0.02319 -0.01511 0.00359 -0.00087 72 3S -0.00035 -0.00056 0.01374 -0.00831 -0.01643 73 3PX -0.00482 0.01120 0.00029 -0.01238 -0.00878 74 3PY -0.01110 0.00302 -0.00643 -0.00953 0.00551 75 3PZ 0.00452 0.01586 -0.00911 0.00056 -0.00239 76 4XX -0.00009 0.00032 0.00036 -0.00026 0.00009 77 4YY -0.00087 0.00021 -0.00085 -0.00067 0.00082 78 4ZZ 0.00012 -0.00011 0.00000 0.00029 0.00035 79 4XY -0.00033 0.00031 0.00003 -0.00095 -0.00054 80 4XZ 0.00020 0.00014 -0.00023 0.00045 -0.00007 81 4YZ 0.00016 0.00112 -0.00036 0.00013 0.00011 82 9 H 1S 0.00043 0.00137 -0.00038 -0.00037 -0.00170 83 2S 0.00071 0.00374 -0.00106 -0.00177 -0.00353 84 10 C 1S -0.00013 -0.00029 -0.00016 0.00048 0.00029 85 2S -0.00023 0.00012 0.00026 -0.00092 -0.00044 86 2PX 0.00212 0.00136 0.00433 -0.00195 0.00517 87 2PY 0.00021 0.00021 -0.00101 0.00046 -0.00090 88 2PZ 0.00109 0.00083 0.00385 -0.00186 0.00429 89 3S 0.00114 0.00122 -0.00143 0.00108 -0.00186 90 3PX 0.00074 0.00019 0.00422 -0.00206 0.00491 91 3PY -0.00027 -0.00053 -0.00157 0.00123 -0.00049 92 3PZ 0.00119 0.00131 0.00242 -0.00097 0.00296 93 4XX -0.00010 -0.00016 -0.00005 0.00017 -0.00001 94 4YY 0.00008 0.00007 -0.00004 -0.00010 -0.00007 95 4ZZ 0.00001 0.00017 0.00002 -0.00012 0.00000 96 4XY -0.00001 -0.00011 -0.00003 0.00007 -0.00001 97 4XZ 0.00004 -0.00001 0.00000 -0.00003 0.00008 98 4YZ -0.00004 -0.00009 -0.00001 0.00009 0.00002 99 11 C 1S -0.00015 0.00005 0.00065 -0.00087 0.00069 100 2S -0.00072 -0.00094 -0.00175 0.00214 -0.00188 101 2PX 0.00199 0.00300 0.00231 -0.00443 0.00160 102 2PY -0.00233 -0.00032 0.00081 0.00155 0.00050 103 2PZ 0.00113 0.00307 0.00134 -0.00101 0.00103 104 3S -0.00221 -0.00430 0.00026 0.00173 0.00001 105 3PX 0.00123 0.00195 0.00166 -0.00304 0.00252 106 3PY -0.00110 -0.00250 0.00186 0.00074 0.00115 107 3PZ 0.00142 0.00257 0.00108 -0.00144 -0.00021 108 4XX 0.00004 0.00018 0.00037 -0.00022 0.00043 109 4YY 0.00015 -0.00003 -0.00013 0.00003 -0.00015 110 4ZZ -0.00007 0.00003 -0.00018 0.00010 -0.00011 111 4XY -0.00001 0.00004 -0.00002 -0.00009 -0.00003 112 4XZ 0.00004 0.00003 0.00006 -0.00004 0.00023 113 4YZ 0.00001 0.00010 0.00001 0.00000 -0.00001 114 12 C 1S 0.00003 -0.00062 0.00037 -0.00065 0.00023 115 2S -0.00028 0.00050 -0.00055 0.00101 -0.00046 116 2PX 0.00017 -0.00050 -0.00007 -0.00114 -0.00049 117 2PY 0.00039 0.00048 -0.00037 -0.00007 -0.00025 118 2PZ 0.00086 -0.00154 0.00068 -0.00209 0.00104 119 3S -0.00172 0.00030 -0.00251 0.00127 -0.00140 120 3PX 0.00055 0.00056 -0.00074 -0.00019 -0.00029 121 3PY 0.00030 0.00096 -0.00040 -0.00011 -0.00086 122 3PZ -0.00003 -0.00249 0.00077 -0.00054 0.00121 123 4XX 0.00004 0.00005 0.00009 -0.00012 0.00013 124 4YY 0.00009 0.00005 -0.00006 -0.00001 -0.00004 125 4ZZ -0.00008 -0.00017 -0.00003 0.00016 0.00000 126 4XY -0.00002 0.00000 0.00001 0.00005 0.00000 127 4XZ -0.00004 -0.00017 0.00001 -0.00002 -0.00001 128 4YZ 0.00002 0.00005 -0.00004 0.00003 -0.00004 129 13 C 1S -0.00008 -0.00049 0.00020 0.00000 0.00011 130 2S 0.00002 0.00104 -0.00070 0.00019 -0.00086 131 2PX 0.00039 -0.00049 0.00069 -0.00064 0.00045 132 2PY -0.00053 -0.00051 -0.00008 0.00001 -0.00028 133 2PZ 0.00051 -0.00123 0.00080 -0.00047 0.00108 134 3S 0.00031 0.00205 -0.00001 -0.00124 0.00019 135 3PX -0.00016 -0.00013 0.00060 -0.00079 -0.00027 136 3PY -0.00050 -0.00008 -0.00040 0.00020 -0.00075 137 3PZ 0.00046 -0.00077 0.00015 0.00019 0.00030 138 4XX 0.00000 -0.00004 -0.00007 0.00003 -0.00007 139 4YY -0.00001 -0.00001 -0.00012 0.00006 -0.00013 140 4ZZ -0.00001 -0.00004 0.00024 -0.00008 0.00020 141 4XY 0.00002 -0.00004 0.00000 0.00003 0.00001 142 4XZ 0.00006 -0.00009 0.00029 -0.00008 0.00030 143 4YZ -0.00002 -0.00001 0.00005 0.00005 0.00005 144 14 C 1S 0.00008 -0.00011 -0.00038 0.00016 -0.00043 145 2S -0.00002 0.00080 0.00017 -0.00052 0.00030 146 2PX -0.00029 -0.00017 -0.00560 0.00161 -0.00504 147 2PY 0.00010 -0.00085 -0.00230 0.00075 -0.00154 148 2PZ -0.00048 0.00000 -0.00325 0.00149 -0.00330 149 3S 0.00091 -0.00076 0.00075 0.00094 0.00173 150 3PX 0.00001 -0.00060 -0.00377 0.00168 -0.00387 151 3PY -0.00033 0.00108 -0.00102 -0.00101 -0.00112 152 3PZ -0.00013 -0.00013 -0.00331 0.00147 -0.00305 153 4XX 0.00001 -0.00011 0.00023 0.00002 0.00021 154 4YY 0.00000 0.00000 -0.00013 0.00001 -0.00009 155 4ZZ -0.00004 0.00012 0.00001 -0.00009 -0.00009 156 4XY 0.00001 -0.00007 0.00010 0.00005 0.00009 157 4XZ 0.00003 -0.00008 0.00023 -0.00002 0.00015 158 4YZ 0.00001 -0.00007 0.00004 0.00000 0.00003 159 15 C 1S -0.00006 -0.00029 0.00007 0.00015 0.00021 160 2S 0.00020 0.00039 -0.00073 -0.00017 -0.00062 161 2PX 0.00040 -0.00168 0.00112 0.00113 0.00166 162 2PY -0.00036 -0.00028 0.00003 0.00034 0.00047 163 2PZ 0.00041 -0.00081 -0.00003 0.00070 0.00061 164 3S -0.00034 0.00146 0.00061 -0.00230 -0.00015 165 3PX 0.00066 -0.00195 0.00073 0.00173 0.00124 166 3PY -0.00015 -0.00056 -0.00100 0.00120 -0.00023 167 3PZ -0.00027 -0.00077 0.00075 -0.00001 0.00098 168 4XX 0.00002 -0.00002 0.00027 -0.00005 0.00026 169 4YY 0.00000 -0.00001 -0.00012 0.00001 -0.00010 170 4ZZ -0.00001 0.00004 -0.00015 0.00003 -0.00014 171 4XY -0.00009 -0.00008 -0.00017 0.00010 -0.00022 172 4XZ 0.00003 -0.00005 0.00000 0.00003 -0.00001 173 4YZ -0.00004 -0.00003 -0.00028 0.00011 -0.00028 174 16 H 1S -0.00008 0.00003 0.00004 -0.00002 -0.00023 175 2S -0.00018 0.00021 -0.00046 0.00056 -0.00024 176 17 H 1S 0.00112 -0.00055 -0.00137 0.00012 -0.00126 177 2S 0.00160 -0.00050 -0.00016 -0.00045 -0.00062 178 18 H 1S 0.00002 0.00078 0.00019 0.00020 0.00044 179 2S 0.00153 0.00305 0.00009 -0.00037 -0.00013 180 19 H 1S -0.00030 0.00031 -0.00088 0.00045 -0.00090 181 2S -0.00071 0.00002 -0.00118 0.00037 -0.00185 182 20 H 1S 0.00017 -0.00023 -0.00116 0.00024 -0.00057 183 2S 0.00016 -0.00084 -0.00147 0.00089 -0.00103 184 21 H 1S -0.00020 -0.00006 0.00041 -0.00004 0.00040 185 2S -0.00042 0.00012 0.00102 -0.00048 0.00076 186 22 H 1S -0.00006 -0.00121 0.00009 -0.00066 0.00003 187 2S -0.00015 -0.00138 0.00071 -0.00051 0.00017 188 23 H 1S 0.00032 -0.00055 0.00128 -0.00051 0.00126 189 2S 0.00033 -0.00110 0.00256 -0.00035 0.00282 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.06512 0.34291 33 2PX 0.01455 -0.02588 0.42800 34 2PY 0.00001 -0.00001 0.00000 0.29269 35 2PZ -0.01513 0.02463 0.04321 -0.00015 0.42492 36 3S -0.14988 0.26011 -0.04460 -0.00005 0.05590 37 3PX 0.00857 -0.01869 0.15537 0.00000 0.01403 38 3PY 0.00002 -0.00003 0.00001 0.07095 -0.00008 39 3PZ -0.01235 0.02303 0.00828 -0.00007 0.14521 40 4XX -0.01781 0.00026 -0.02405 0.00000 -0.00913 41 4YY -0.01312 -0.01025 0.01563 0.00005 -0.01615 42 4ZZ -0.01764 -0.00043 0.01019 -0.00006 0.02328 43 4XY 0.00000 0.00000 0.00000 0.02089 0.00001 44 4XZ -0.00060 0.00098 -0.01143 0.00001 0.01232 45 4YZ 0.00001 -0.00001 0.00000 -0.02049 -0.00006 46 4 O 1S 0.00354 -0.00182 -0.01529 -0.02800 0.01498 47 2S -0.00656 0.00256 0.03726 0.06683 -0.03591 48 2PX 0.02524 -0.05127 -0.05312 -0.12297 0.05810 49 2PY 0.05980 -0.13137 -0.13989 -0.22027 0.14503 50 2PZ -0.02416 0.04926 0.05313 0.13937 -0.05230 51 3S 0.02100 -0.05476 0.02477 0.03598 -0.02659 52 3PX 0.00730 -0.01640 -0.03747 -0.04934 0.01726 53 3PY 0.03521 -0.07591 -0.08017 -0.13406 0.08580 54 3PZ -0.00642 0.01404 0.01322 0.06649 -0.03948 55 4XX 0.00031 -0.00092 -0.00985 -0.00249 0.00035 56 4YY -0.00713 0.01323 0.01105 0.01052 -0.01119 57 4ZZ 0.00033 -0.00065 0.00018 -0.00111 0.00931 58 4XY -0.00305 0.00578 -0.00350 0.00263 -0.00410 59 4XZ 0.00130 -0.00169 0.00297 -0.00092 -0.00265 60 4YZ 0.00367 -0.00686 -0.00513 -0.00521 -0.00223 61 5 H 1S -0.00734 0.02026 0.01910 0.03008 -0.01931 62 2S -0.00777 0.02245 0.02695 0.03204 -0.03242 63 6 H 1S -0.00735 0.02026 0.01913 -0.03005 -0.01939 64 2S -0.00777 0.02247 0.02701 -0.03198 -0.03250 65 7 H 1S -0.05992 0.12294 0.07205 -0.00026 0.26777 66 2S -0.01152 0.03387 0.08270 -0.00021 0.21792 67 8 O 1S 0.00354 -0.00182 -0.01530 0.02796 0.01504 68 2S -0.00655 0.00255 0.03728 -0.06674 -0.03603 69 2PX 0.02525 -0.05128 -0.05320 0.12289 0.05836 70 2PY -0.05973 0.13121 0.13979 -0.21970 -0.14529 71 2PZ -0.02426 0.04949 0.05342 -0.13964 -0.05286 72 3S 0.02100 -0.05475 0.02478 -0.03595 -0.02668 73 3PX 0.00731 -0.01641 -0.03751 0.04933 0.01739 74 3PY -0.03519 0.07585 0.08015 -0.13377 -0.08595 75 3PZ -0.00648 0.01417 0.01340 -0.06663 -0.03977 76 4XX 0.00031 -0.00092 -0.00985 0.00248 0.00035 77 4YY -0.00711 0.01320 0.01103 -0.01048 -0.01122 78 4ZZ 0.00032 -0.00063 0.00020 0.00108 0.00932 79 4XY 0.00305 -0.00578 0.00348 0.00263 0.00411 80 4XZ 0.00130 -0.00170 0.00298 0.00093 -0.00265 81 4YZ -0.00369 0.00688 0.00515 -0.00523 0.00217 82 9 H 1S -0.05970 0.12410 -0.27095 0.00002 -0.06530 83 2S -0.01231 0.03558 -0.21703 0.00004 -0.07297 84 10 C 1S -0.00034 0.00067 0.00089 -0.00109 0.00031 85 2S 0.00050 -0.00179 -0.00226 0.00156 0.00003 86 2PX -0.00186 0.00524 0.00497 -0.00102 -0.00697 87 2PY -0.00057 0.00022 0.00063 -0.00156 0.00135 88 2PZ -0.00048 0.00168 0.00143 0.00201 -0.00801 89 3S 0.00278 -0.00556 -0.01183 0.00972 -0.00514 90 3PX -0.00243 0.00495 0.00674 -0.00402 -0.00461 91 3PY -0.00033 0.00171 0.00378 -0.00215 0.00089 92 3PZ -0.00011 0.00178 0.00029 0.00348 -0.00841 93 4XX -0.00014 0.00027 0.00038 -0.00024 -0.00017 94 4YY -0.00001 -0.00017 -0.00031 -0.00004 0.00010 95 4ZZ -0.00005 0.00000 -0.00020 -0.00020 0.00011 96 4XY -0.00008 0.00017 0.00014 0.00006 -0.00029 97 4XZ -0.00009 0.00011 0.00022 -0.00024 -0.00014 98 4YZ -0.00010 0.00026 0.00037 -0.00019 -0.00024 99 11 C 1S 0.00031 -0.00014 -0.00106 0.00029 -0.00089 100 2S 0.00016 0.00011 0.00104 -0.00035 0.00172 101 2PX 0.00230 -0.00528 -0.00789 0.00362 0.00116 102 2PY -0.00028 0.00125 0.00129 0.00069 -0.00103 103 2PZ 0.00028 -0.00036 -0.00106 -0.00186 0.00273 104 3S -0.00426 0.00569 0.01576 -0.00791 0.01034 105 3PX 0.00078 -0.00093 -0.00106 -0.00267 0.00058 106 3PY -0.00192 0.00098 0.00454 0.00139 0.00639 107 3PZ 0.00078 -0.00391 -0.00863 0.00227 0.00421 108 4XX 0.00004 0.00020 -0.00021 0.00035 -0.00101 109 4YY 0.00013 -0.00018 -0.00006 -0.00002 0.00037 110 4ZZ 0.00003 0.00009 0.00010 -0.00026 0.00014 111 4XY 0.00003 0.00003 0.00012 0.00017 0.00013 112 4XZ -0.00016 0.00059 0.00040 -0.00029 -0.00018 113 4YZ -0.00007 0.00011 0.00005 -0.00002 0.00016 114 12 C 1S -0.00065 0.00156 0.00189 0.00001 0.00280 115 2S 0.00136 -0.00372 -0.00416 0.00041 -0.00422 116 2PX -0.00329 0.00906 0.00786 -0.00187 0.01833 117 2PY -0.00005 -0.00032 -0.00096 0.00004 0.00433 118 2PZ 0.00042 -0.00082 -0.00237 0.00246 -0.00494 119 3S 0.00214 -0.00212 -0.00323 -0.00567 -0.01748 120 3PX -0.00092 0.00274 0.00253 -0.00022 0.00967 121 3PY -0.00061 0.00099 0.00027 -0.00102 0.00548 122 3PZ -0.00087 0.00006 0.00166 0.00024 0.00070 123 4XX -0.00002 -0.00013 0.00008 0.00010 -0.00011 124 4YY 0.00007 -0.00026 -0.00029 -0.00006 0.00016 125 4ZZ -0.00007 0.00031 0.00045 -0.00004 0.00026 126 4XY 0.00013 -0.00022 -0.00040 0.00023 -0.00062 127 4XZ -0.00031 0.00060 0.00058 -0.00013 0.00055 128 4YZ 0.00004 -0.00002 -0.00003 -0.00015 0.00014 129 13 C 1S -0.00065 0.00156 0.00189 -0.00001 0.00280 130 2S 0.00136 -0.00372 -0.00416 -0.00040 -0.00422 131 2PX -0.00329 0.00906 0.00785 0.00183 0.01833 132 2PY 0.00005 0.00032 0.00097 0.00006 -0.00432 133 2PZ 0.00042 -0.00083 -0.00237 -0.00245 -0.00496 134 3S 0.00215 -0.00211 -0.00321 0.00570 -0.01752 135 3PX -0.00093 0.00274 0.00253 0.00021 0.00967 136 3PY 0.00061 -0.00100 -0.00027 -0.00102 -0.00547 137 3PZ -0.00086 0.00003 0.00163 -0.00025 0.00069 138 4XX -0.00002 -0.00013 0.00008 -0.00010 -0.00011 139 4YY 0.00007 -0.00026 -0.00029 0.00006 0.00016 140 4ZZ -0.00007 0.00031 0.00045 0.00004 0.00025 141 4XY -0.00013 0.00022 0.00040 0.00023 0.00061 142 4XZ -0.00031 0.00060 0.00058 0.00013 0.00055 143 4YZ -0.00004 0.00002 0.00003 -0.00015 -0.00015 144 14 C 1S 0.00031 -0.00014 -0.00106 -0.00029 -0.00089 145 2S 0.00016 0.00012 0.00104 0.00035 0.00171 146 2PX 0.00231 -0.00529 -0.00790 -0.00364 0.00117 147 2PY 0.00028 -0.00125 -0.00130 0.00068 0.00103 148 2PZ 0.00028 -0.00036 -0.00107 0.00185 0.00274 149 3S -0.00427 0.00569 0.01578 0.00790 0.01040 150 3PX 0.00077 -0.00091 -0.00102 0.00266 0.00061 151 3PY 0.00191 -0.00096 -0.00453 0.00143 -0.00643 152 3PZ 0.00079 -0.00392 -0.00867 -0.00229 0.00420 153 4XX 0.00004 0.00020 -0.00021 -0.00035 -0.00101 154 4YY 0.00013 -0.00018 -0.00006 0.00002 0.00037 155 4ZZ 0.00003 0.00009 0.00010 0.00026 0.00014 156 4XY -0.00003 -0.00003 -0.00012 0.00017 -0.00014 157 4XZ -0.00016 0.00059 0.00040 0.00029 -0.00019 158 4YZ 0.00007 -0.00011 -0.00005 -0.00002 -0.00016 159 15 C 1S -0.00034 0.00067 0.00090 0.00109 0.00032 160 2S 0.00050 -0.00179 -0.00226 -0.00157 0.00003 161 2PX -0.00187 0.00526 0.00498 0.00105 -0.00697 162 2PY 0.00057 -0.00021 -0.00063 -0.00156 -0.00135 163 2PZ -0.00049 0.00169 0.00144 -0.00200 -0.00801 164 3S 0.00279 -0.00557 -0.01186 -0.00972 -0.00520 165 3PX -0.00244 0.00497 0.00679 0.00405 -0.00458 166 3PY 0.00033 -0.00172 -0.00379 -0.00215 -0.00087 167 3PZ -0.00011 0.00179 0.00028 -0.00346 -0.00843 168 4XX -0.00014 0.00027 0.00038 0.00025 -0.00017 169 4YY -0.00001 -0.00017 -0.00030 0.00004 0.00010 170 4ZZ -0.00005 0.00000 -0.00020 0.00020 0.00011 171 4XY 0.00008 -0.00016 -0.00013 0.00006 0.00029 172 4XZ -0.00009 0.00011 0.00023 0.00024 -0.00014 173 4YZ 0.00010 -0.00026 -0.00037 -0.00019 0.00024 174 16 H 1S 0.00003 0.00031 0.00016 -0.00010 0.00118 175 2S -0.00020 0.00145 0.00178 -0.00108 0.00027 176 17 H 1S 0.00003 -0.00057 0.00048 -0.00079 0.00233 177 2S 0.00032 -0.00250 -0.00236 0.00310 0.00526 178 18 H 1S 0.00189 -0.00551 -0.00398 0.00121 -0.00843 179 2S 0.00272 -0.00662 -0.00749 0.00479 -0.00090 180 19 H 1S 0.00189 -0.00551 -0.00398 -0.00120 -0.00843 181 2S 0.00272 -0.00660 -0.00748 -0.00478 -0.00091 182 20 H 1S 0.00003 -0.00057 0.00048 0.00079 0.00234 183 2S 0.00032 -0.00251 -0.00236 -0.00312 0.00528 184 21 H 1S 0.00003 0.00031 0.00016 0.00010 0.00118 185 2S -0.00020 0.00145 0.00178 0.00108 0.00026 186 22 H 1S -0.00112 0.00309 0.00252 0.00028 0.00309 187 2S -0.00173 0.00488 0.00482 0.00067 0.00346 188 23 H 1S -0.00112 0.00309 0.00253 -0.00028 0.00309 189 2S -0.00173 0.00488 0.00484 -0.00067 0.00345 36 37 38 39 40 36 3S 0.23348 37 3PX -0.01607 0.06205 38 3PY -0.00003 0.00001 0.02606 39 3PZ 0.02152 0.00376 -0.00004 0.06494 40 4XX 0.00239 -0.00680 0.00000 0.00047 0.00335 41 4YY -0.01289 0.00513 0.00001 -0.00463 -0.00124 42 4ZZ 0.00320 0.00204 -0.00001 0.00358 -0.00166 43 4XY 0.00000 0.00000 0.00389 0.00000 0.00000 44 4XZ 0.00369 -0.00378 0.00000 0.00399 0.00011 45 4YZ -0.00002 0.00000 -0.00288 -0.00001 0.00000 46 4 O 1S 0.02924 0.00403 -0.00234 -0.00333 0.00248 47 2S -0.07391 -0.00863 0.00203 0.00686 -0.00540 48 2PX -0.03116 0.00240 -0.04758 0.06068 0.02408 49 2PY -0.09646 -0.05249 -0.01948 0.05197 -0.00103 50 2PZ 0.02261 0.04076 0.06249 0.03555 0.00834 51 3S -0.13768 -0.01708 -0.00630 0.01926 -0.00775 52 3PX -0.00867 0.00191 -0.02074 0.03706 0.01644 53 3PY -0.05611 -0.03033 -0.00878 0.03006 -0.00130 54 3PZ -0.00205 0.02001 0.03355 0.02618 0.00819 55 4XX 0.00126 -0.00281 -0.00040 0.00025 0.00094 56 4YY 0.00988 0.00396 0.00112 -0.00407 -0.00003 57 4ZZ 0.00117 0.00003 0.00048 0.00220 -0.00048 58 4XY 0.00446 -0.00214 0.00188 -0.00298 -0.00079 59 4XZ -0.00061 0.00170 0.00025 -0.00123 -0.00011 60 4YZ -0.00522 -0.00267 -0.00254 -0.00264 -0.00001 61 5 H 1S 0.02998 0.01340 0.02407 -0.00659 -0.00057 62 2S 0.02715 0.01775 0.02345 -0.00692 0.00091 63 6 H 1S 0.02999 0.01341 -0.02407 -0.00667 -0.00057 64 2S 0.02717 0.01776 -0.02344 -0.00701 0.00090 65 7 H 1S 0.11639 0.01750 -0.00009 0.08285 -0.01122 66 2S 0.04306 0.01690 -0.00005 0.04492 -0.01622 67 8 O 1S 0.02924 0.00402 0.00234 -0.00333 0.00248 68 2S -0.07391 -0.00862 -0.00203 0.00685 -0.00539 69 2PX -0.03116 0.00235 0.04745 0.06075 0.02408 70 2PY 0.09638 0.05243 -0.01926 -0.05205 0.00103 71 2PZ 0.02275 0.04084 -0.06256 0.03528 0.00835 72 3S -0.13767 -0.01707 0.00627 0.01927 -0.00774 73 3PX -0.00868 0.00188 0.02065 0.03709 0.01644 74 3PY 0.05609 0.03030 -0.00866 -0.03010 0.00130 75 3PZ -0.00197 0.02005 -0.03359 0.02602 0.00820 76 4XX 0.00126 -0.00281 0.00039 0.00025 0.00094 77 4YY 0.00986 0.00395 -0.00111 -0.00408 -0.00003 78 4ZZ 0.00119 0.00003 -0.00050 0.00221 -0.00048 79 4XY -0.00446 0.00213 0.00188 0.00299 0.00079 80 4XZ -0.00062 0.00170 -0.00024 -0.00123 -0.00011 81 4YZ 0.00523 0.00268 -0.00254 0.00262 0.00001 82 9 H 1S 0.10661 -0.09599 -0.00002 -0.00320 0.02033 83 2S 0.03009 -0.06959 -0.00001 0.00207 0.02111 84 10 C 1S 0.00165 -0.00030 -0.00028 -0.00027 -0.00023 85 2S -0.00331 0.00055 0.00056 0.00123 0.00067 86 2PX 0.01100 0.00236 -0.00139 -0.01150 -0.00161 87 2PY 0.00436 0.00138 -0.00024 0.00190 -0.00012 88 2PZ 0.00234 0.00357 -0.00165 -0.00959 -0.00048 89 3S -0.00760 -0.00089 -0.00171 0.00305 0.00205 90 3PX 0.00952 0.00233 -0.00065 -0.01171 -0.00193 91 3PY 0.00351 0.00133 -0.00043 0.00034 -0.00033 92 3PZ 0.00352 0.00239 -0.00241 -0.00790 -0.00016 93 4XX 0.00052 0.00000 0.00004 -0.00057 -0.00011 94 4YY -0.00031 0.00001 0.00003 0.00029 0.00009 95 4ZZ -0.00026 -0.00012 -0.00003 0.00067 0.00013 96 4XY 0.00027 0.00013 0.00009 -0.00047 -0.00005 97 4XZ 0.00021 0.00011 -0.00008 -0.00021 -0.00004 98 4YZ 0.00048 0.00014 0.00011 -0.00057 -0.00009 99 11 C 1S -0.00167 -0.00070 -0.00010 -0.00013 0.00047 100 2S -0.00067 -0.00067 0.00080 0.00145 -0.00028 101 2PX -0.01412 -0.00053 -0.00121 0.01061 0.00260 102 2PY 0.00313 -0.00011 -0.00034 -0.00170 -0.00032 103 2PZ -0.00051 -0.00160 -0.00116 0.00865 0.00062 104 3S 0.00771 0.00050 0.00407 -0.00683 -0.00397 105 3PX -0.00512 0.00104 -0.00170 0.00526 0.00129 106 3PY 0.00323 -0.00154 0.00207 -0.00532 -0.00246 107 3PZ -0.00671 -0.00250 -0.00056 0.00991 0.00156 108 4XX 0.00069 0.00030 -0.00023 -0.00113 0.00006 109 4YY -0.00020 0.00012 0.00008 0.00041 0.00002 110 4ZZ -0.00002 -0.00010 -0.00009 0.00050 0.00004 111 4XY -0.00016 0.00009 0.00006 0.00026 0.00004 112 4XZ 0.00112 0.00002 -0.00014 -0.00024 -0.00007 113 4YZ 0.00013 0.00009 0.00004 0.00028 0.00002 114 12 C 1S 0.00356 -0.00052 0.00086 0.00190 -0.00032 115 2S -0.00478 0.00168 -0.00110 -0.00206 0.00025 116 2PX 0.01117 -0.00735 0.00493 0.01919 -0.00064 117 2PY 0.00020 0.00475 0.00070 0.00416 0.00036 118 2PZ -0.00240 -0.00092 0.00068 -0.00708 0.00001 119 3S -0.00294 0.00221 -0.00041 -0.00572 0.00117 120 3PX 0.00371 -0.00300 -0.00016 0.01055 0.00002 121 3PY 0.00052 0.00295 -0.00062 0.00459 0.00041 122 3PZ 0.00041 -0.00091 0.00171 -0.00643 -0.00132 123 4XX -0.00031 0.00023 -0.00022 -0.00043 0.00004 124 4YY -0.00036 0.00004 -0.00001 0.00024 0.00000 125 4ZZ 0.00070 -0.00034 0.00011 -0.00014 -0.00014 126 4XY -0.00022 -0.00002 -0.00030 -0.00032 0.00004 127 4XZ 0.00098 -0.00021 0.00028 0.00007 -0.00008 128 4YZ -0.00007 0.00001 -0.00003 0.00027 0.00003 129 13 C 1S 0.00356 -0.00052 -0.00086 0.00189 -0.00032 130 2S -0.00478 0.00167 0.00110 -0.00206 0.00025 131 2PX 0.01117 -0.00735 -0.00497 0.01918 -0.00064 132 2PY -0.00019 -0.00476 0.00071 -0.00414 -0.00036 133 2PZ -0.00240 -0.00092 -0.00066 -0.00711 0.00001 134 3S -0.00294 0.00224 0.00042 -0.00571 0.00118 135 3PX 0.00370 -0.00300 0.00014 0.01056 0.00002 136 3PY -0.00052 -0.00296 -0.00060 -0.00458 -0.00041 137 3PZ 0.00039 -0.00093 -0.00170 -0.00646 -0.00132 138 4XX -0.00031 0.00023 0.00022 -0.00043 0.00004 139 4YY -0.00036 0.00004 0.00001 0.00024 0.00000 140 4ZZ 0.00070 -0.00033 -0.00011 -0.00014 -0.00014 141 4XY 0.00022 0.00002 -0.00030 0.00032 -0.00004 142 4XZ 0.00098 -0.00021 -0.00028 0.00007 -0.00008 143 4YZ 0.00006 0.00000 -0.00003 -0.00027 -0.00003 144 14 C 1S -0.00167 -0.00070 0.00010 -0.00012 0.00047 145 2S -0.00067 -0.00066 -0.00080 0.00144 -0.00028 146 2PX -0.01411 -0.00055 0.00117 0.01063 0.00261 147 2PY -0.00313 0.00011 -0.00035 0.00170 0.00032 148 2PZ -0.00050 -0.00162 0.00114 0.00865 0.00062 149 3S 0.00770 0.00048 -0.00406 -0.00687 -0.00399 150 3PX -0.00507 0.00104 0.00167 0.00524 0.00129 151 3PY -0.00321 0.00156 0.00206 0.00534 0.00246 152 3PZ -0.00671 -0.00252 0.00053 0.00993 0.00156 153 4XX 0.00069 0.00030 0.00023 -0.00113 0.00006 154 4YY -0.00020 0.00012 -0.00009 0.00041 0.00002 155 4ZZ -0.00002 -0.00010 0.00009 0.00050 0.00004 156 4XY 0.00016 -0.00009 0.00006 -0.00026 -0.00004 157 4XZ 0.00113 0.00002 0.00014 -0.00024 -0.00007 158 4YZ -0.00013 -0.00009 0.00004 -0.00028 -0.00002 159 15 C 1S 0.00165 -0.00030 0.00028 -0.00027 -0.00023 160 2S -0.00332 0.00055 -0.00057 0.00123 0.00067 161 2PX 0.01105 0.00235 0.00143 -0.01152 -0.00161 162 2PY -0.00435 -0.00139 -0.00024 -0.00190 0.00012 163 2PZ 0.00236 0.00356 0.00168 -0.00959 -0.00048 164 3S -0.00762 -0.00087 0.00170 0.00310 0.00207 165 3PX 0.00958 0.00232 0.00069 -0.01176 -0.00195 166 3PY -0.00351 -0.00135 -0.00043 -0.00035 0.00033 167 3PZ 0.00354 0.00239 0.00244 -0.00790 -0.00015 168 4XX 0.00052 0.00000 -0.00003 -0.00058 -0.00011 169 4YY -0.00031 0.00001 -0.00003 0.00029 0.00009 170 4ZZ -0.00026 -0.00012 0.00002 0.00067 0.00013 171 4XY -0.00027 -0.00013 0.00009 0.00046 0.00005 172 4XZ 0.00021 0.00011 0.00008 -0.00021 -0.00004 173 4YZ -0.00048 -0.00014 0.00011 0.00057 0.00009 174 16 H 1S 0.00014 -0.00114 0.00068 0.00049 -0.00009 175 2S 0.00175 -0.00061 0.00008 0.00033 -0.00015 176 17 H 1S -0.00147 0.00031 0.00086 0.00146 -0.00016 177 2S -0.00318 -0.00077 0.00099 0.00219 -0.00032 178 18 H 1S -0.00813 0.00445 -0.00431 -0.00992 0.00060 179 2S -0.01073 0.00291 -0.00729 0.00070 0.00161 180 19 H 1S -0.00813 0.00445 0.00432 -0.00991 0.00060 181 2S -0.01071 0.00292 0.00729 0.00070 0.00160 182 20 H 1S -0.00148 0.00031 -0.00086 0.00146 -0.00016 183 2S -0.00319 -0.00078 -0.00100 0.00219 -0.00032 184 21 H 1S 0.00014 -0.00114 -0.00068 0.00049 -0.00009 185 2S 0.00175 -0.00061 -0.00008 0.00033 -0.00015 186 22 H 1S 0.00385 -0.00343 0.00247 0.00143 -0.00055 187 2S 0.00721 -0.00267 0.00304 -0.00120 -0.00102 188 23 H 1S 0.00385 -0.00343 -0.00247 0.00142 -0.00055 189 2S 0.00721 -0.00265 -0.00302 -0.00121 -0.00102 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00138 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ -0.00051 0.00014 0.00000 0.00106 45 4YZ 0.00000 0.00000 -0.00102 0.00000 0.00274 46 4 O 1S -0.00616 0.00217 -0.00392 0.00149 0.00457 47 2S 0.01473 -0.00419 0.00925 -0.00367 -0.01103 48 2PX -0.01381 -0.00778 0.00689 -0.00132 0.01702 49 2PY 0.00400 -0.00102 -0.01988 0.01284 0.02150 50 2PZ 0.01596 -0.02692 0.01747 0.00137 0.00896 51 3S 0.02323 -0.00868 0.00751 -0.00154 -0.00923 52 3PX -0.00751 -0.00796 0.00701 -0.00096 0.01035 53 3PY 0.00298 -0.00064 -0.01255 0.00775 0.01359 54 3PZ 0.00988 -0.01913 0.01067 0.00090 0.00792 55 4XX -0.00058 -0.00039 0.00007 0.00035 0.00048 56 4YY -0.00031 0.00013 0.00082 -0.00098 -0.00102 57 4ZZ -0.00043 0.00081 -0.00037 0.00037 0.00007 58 4XY 0.00054 0.00004 -0.00053 0.00029 -0.00044 59 4XZ 0.00031 -0.00027 -0.00012 -0.00004 0.00032 60 4YZ -0.00059 0.00083 -0.00065 -0.00020 -0.00038 61 5 H 1S 0.00081 -0.00195 0.00002 0.00069 0.00063 62 2S 0.00129 -0.00371 -0.00014 -0.00044 0.00038 63 6 H 1S 0.00081 -0.00195 -0.00002 0.00069 -0.00062 64 2S 0.00129 -0.00370 0.00015 -0.00044 -0.00037 65 7 H 1S -0.01262 0.02042 -0.00001 0.00573 -0.00004 66 2S -0.00902 0.02417 -0.00001 0.00382 -0.00004 67 8 O 1S -0.00615 0.00216 0.00392 0.00149 -0.00459 68 2S 0.01469 -0.00416 -0.00924 -0.00369 0.01107 69 2PX -0.01376 -0.00783 -0.00687 -0.00133 -0.01704 70 2PY -0.00409 0.00114 -0.01983 -0.01288 0.02150 71 2PZ 0.01597 -0.02693 -0.01750 0.00132 -0.00882 72 3S 0.02321 -0.00866 -0.00751 -0.00156 0.00929 73 3PX -0.00748 -0.00799 -0.00699 -0.00097 -0.01035 74 3PY -0.00303 0.00072 -0.01252 -0.00777 0.01359 75 3PZ 0.00989 -0.01914 -0.01069 0.00087 -0.00782 76 4XX -0.00058 -0.00039 -0.00007 0.00035 -0.00048 77 4YY -0.00031 0.00013 -0.00082 -0.00098 0.00102 78 4ZZ -0.00042 0.00081 0.00036 0.00037 -0.00007 79 4XY -0.00053 -0.00004 -0.00052 -0.00029 -0.00044 80 4XZ 0.00031 -0.00027 0.00012 -0.00004 -0.00032 81 4YZ 0.00060 -0.00083 -0.00065 0.00020 -0.00038 82 9 H 1S -0.01191 -0.01176 0.00000 0.00524 0.00000 83 2S -0.00689 -0.01530 0.00001 0.00339 0.00001 84 10 C 1S 0.00009 0.00007 0.00002 0.00002 0.00011 85 2S -0.00031 -0.00029 -0.00031 -0.00015 -0.00011 86 2PX 0.00024 0.00126 -0.00120 0.00061 -0.00132 87 2PY 0.00000 -0.00012 0.00028 -0.00025 0.00029 88 2PZ 0.00004 0.00030 -0.00135 0.00047 -0.00148 89 3S 0.00078 -0.00280 0.00118 0.00047 -0.00188 90 3PX -0.00018 0.00201 -0.00160 0.00030 -0.00041 91 3PY -0.00022 0.00042 0.00109 -0.00027 0.00074 92 3PZ 0.00015 -0.00013 -0.00083 0.00039 -0.00205 93 4XX 0.00000 0.00010 0.00006 0.00001 0.00009 94 4YY -0.00002 -0.00006 -0.00004 -0.00002 -0.00003 95 4ZZ 0.00000 -0.00011 -0.00008 -0.00001 -0.00004 96 4XY 0.00001 0.00004 0.00006 0.00002 0.00007 97 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 98 4YZ -0.00002 0.00010 0.00010 0.00001 0.00012 99 11 C 1S 0.00012 -0.00034 -0.00036 0.00011 -0.00050 100 2S -0.00014 0.00032 0.00074 -0.00015 0.00078 101 2PX 0.00035 -0.00261 -0.00234 0.00004 -0.00242 102 2PY -0.00024 0.00052 0.00068 0.00016 0.00047 103 2PZ 0.00036 -0.00089 -0.00100 0.00005 -0.00097 104 3S -0.00117 0.00502 0.00072 -0.00051 0.00381 105 3PX -0.00005 -0.00110 -0.00172 -0.00014 -0.00104 106 3PY -0.00051 0.00301 0.00061 0.00009 0.00135 107 3PZ 0.00071 -0.00210 -0.00133 0.00040 -0.00158 108 4XX -0.00003 -0.00004 -0.00015 0.00006 -0.00024 109 4YY 0.00002 -0.00004 0.00002 -0.00002 0.00002 110 4ZZ 0.00002 -0.00008 0.00010 -0.00001 0.00009 111 4XY -0.00003 -0.00001 0.00001 -0.00002 0.00000 112 4XZ 0.00003 0.00000 -0.00004 0.00002 -0.00009 113 4YZ 0.00000 -0.00001 0.00001 0.00000 0.00001 114 12 C 1S -0.00006 0.00026 -0.00015 -0.00001 -0.00031 115 2S 0.00027 -0.00041 0.00060 0.00004 0.00062 116 2PX -0.00022 0.00038 -0.00009 -0.00050 -0.00027 117 2PY 0.00026 -0.00035 -0.00014 -0.00006 -0.00019 118 2PZ -0.00012 -0.00005 -0.00029 -0.00002 -0.00046 119 3S -0.00037 -0.00067 0.00087 -0.00078 0.00190 120 3PX 0.00007 -0.00031 -0.00002 -0.00006 -0.00109 121 3PY 0.00036 -0.00069 -0.00095 0.00017 -0.00100 122 3PZ -0.00059 0.00184 0.00079 -0.00014 0.00153 123 4XX -0.00002 -0.00001 -0.00006 0.00002 -0.00005 124 4YY 0.00003 -0.00002 -0.00003 0.00000 -0.00004 125 4ZZ -0.00003 0.00014 0.00009 -0.00001 0.00005 126 4XY 0.00002 -0.00004 0.00003 0.00000 0.00003 127 4XZ -0.00005 0.00010 0.00001 -0.00002 0.00002 128 4YZ 0.00002 -0.00005 0.00001 0.00000 0.00002 129 13 C 1S -0.00006 0.00026 0.00015 -0.00001 0.00031 130 2S 0.00027 -0.00041 -0.00060 0.00004 -0.00062 131 2PX -0.00022 0.00038 0.00009 -0.00050 0.00027 132 2PY -0.00026 0.00035 -0.00014 0.00006 -0.00019 133 2PZ -0.00012 -0.00005 0.00029 -0.00002 0.00046 134 3S -0.00037 -0.00069 -0.00087 -0.00079 -0.00189 135 3PX 0.00006 -0.00030 0.00002 -0.00006 0.00109 136 3PY -0.00036 0.00068 -0.00095 -0.00017 -0.00100 137 3PZ -0.00059 0.00184 -0.00079 -0.00014 -0.00153 138 4XX -0.00002 -0.00001 0.00006 0.00002 0.00005 139 4YY 0.00003 -0.00002 0.00003 0.00000 0.00004 140 4ZZ -0.00003 0.00014 -0.00009 -0.00001 -0.00005 141 4XY -0.00002 0.00004 0.00003 0.00000 0.00003 142 4XZ -0.00005 0.00010 -0.00001 -0.00002 -0.00002 143 4YZ -0.00002 0.00005 0.00001 0.00000 0.00002 144 14 C 1S 0.00012 -0.00034 0.00036 0.00011 0.00050 145 2S -0.00013 0.00032 -0.00075 -0.00015 -0.00078 146 2PX 0.00034 -0.00260 0.00234 0.00004 0.00242 147 2PY 0.00024 -0.00051 0.00068 -0.00016 0.00047 148 2PZ 0.00036 -0.00089 0.00100 0.00005 0.00097 149 3S -0.00117 0.00504 -0.00072 -0.00051 -0.00384 150 3PX -0.00005 -0.00109 0.00172 -0.00013 0.00104 151 3PY 0.00051 -0.00302 0.00061 -0.00009 0.00135 152 3PZ 0.00071 -0.00210 0.00133 0.00040 0.00158 153 4XX -0.00003 -0.00004 0.00015 0.00006 0.00024 154 4YY 0.00002 -0.00004 -0.00002 -0.00002 -0.00002 155 4ZZ 0.00002 -0.00008 -0.00010 -0.00001 -0.00009 156 4XY 0.00003 0.00001 0.00001 0.00002 0.00000 157 4XZ 0.00003 0.00000 0.00004 0.00002 0.00009 158 4YZ 0.00000 0.00001 0.00001 0.00000 0.00001 159 15 C 1S 0.00009 0.00007 -0.00002 0.00002 -0.00011 160 2S -0.00031 -0.00029 0.00031 -0.00015 0.00011 161 2PX 0.00023 0.00127 0.00120 0.00061 0.00132 162 2PY -0.00001 0.00012 0.00028 0.00025 0.00029 163 2PZ 0.00004 0.00031 0.00135 0.00047 0.00149 164 3S 0.00078 -0.00282 -0.00118 0.00047 0.00190 165 3PX -0.00019 0.00203 0.00160 0.00030 0.00040 166 3PY 0.00022 -0.00041 0.00109 0.00028 0.00074 167 3PZ 0.00015 -0.00013 0.00084 0.00039 0.00206 168 4XX 0.00000 0.00010 -0.00006 0.00001 -0.00009 169 4YY -0.00002 -0.00006 0.00004 -0.00002 0.00003 170 4ZZ 0.00000 -0.00011 0.00008 -0.00001 0.00004 171 4XY -0.00001 -0.00004 0.00006 -0.00002 0.00007 172 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 173 4YZ 0.00002 -0.00009 0.00010 -0.00001 0.00012 174 16 H 1S -0.00008 0.00028 0.00019 0.00003 0.00017 175 2S -0.00005 0.00025 0.00050 0.00001 0.00019 176 17 H 1S 0.00008 0.00006 0.00003 -0.00021 0.00029 177 2S 0.00021 0.00021 -0.00011 0.00000 -0.00036 178 18 H 1S 0.00010 -0.00050 -0.00027 0.00039 -0.00016 179 2S 0.00113 -0.00257 -0.00147 0.00094 -0.00313 180 19 H 1S 0.00010 -0.00049 0.00027 0.00039 0.00016 181 2S 0.00112 -0.00256 0.00147 0.00094 0.00314 182 20 H 1S 0.00008 0.00006 -0.00003 -0.00021 -0.00029 183 2S 0.00021 0.00022 0.00011 0.00000 0.00036 184 21 H 1S -0.00008 0.00028 -0.00019 0.00003 -0.00017 185 2S -0.00005 0.00025 -0.00050 0.00001 -0.00019 186 22 H 1S -0.00024 0.00047 0.00017 -0.00018 0.00005 187 2S -0.00017 0.00082 -0.00030 0.00000 -0.00052 188 23 H 1S -0.00024 0.00047 -0.00017 -0.00018 -0.00005 189 2S -0.00017 0.00083 0.00030 0.00000 0.00052 46 47 48 49 50 46 4 O 1S 2.07557 47 2S -0.17799 0.50358 48 2PX 0.01251 -0.02849 0.64786 49 2PY -0.03972 0.07464 -0.02603 0.66548 50 2PZ -0.00482 0.00383 0.13784 0.04096 0.71669 51 3S -0.24523 0.59250 -0.04939 0.21995 0.05290 52 3PX 0.00937 -0.02091 0.40595 -0.03508 0.15868 53 3PY -0.02573 0.04922 -0.03555 0.42224 0.03767 54 3PZ -0.00455 0.00468 0.14598 0.04615 0.46301 55 4XX -0.01520 -0.00285 0.01348 0.00530 0.00323 56 4YY -0.01268 -0.00833 -0.00248 -0.04104 -0.00243 57 4ZZ -0.01397 -0.00548 -0.00534 0.00589 -0.00735 58 4XY -0.00150 0.00344 -0.02795 0.00808 -0.00450 59 4XZ 0.00371 -0.00792 -0.00240 0.00090 0.00742 60 4YZ 0.00140 -0.00292 -0.00401 -0.00310 -0.02923 61 5 H 1S 0.01458 -0.02980 -0.01397 -0.01739 0.04334 62 2S 0.01570 -0.03184 -0.01590 -0.02199 0.07317 63 6 H 1S -0.00352 0.00990 0.02876 -0.01996 -0.00591 64 2S -0.00323 0.00967 0.05948 -0.04330 0.00645 65 7 H 1S 0.00889 -0.02015 -0.02514 0.01458 -0.07388 66 2S 0.00532 -0.01017 -0.08188 0.02805 -0.15914 67 8 O 1S 0.00092 -0.00175 0.00452 -0.01104 -0.00934 68 2S -0.00175 0.00434 -0.00773 0.02886 0.01776 69 2PX 0.00451 -0.00771 0.00554 0.00088 0.01622 70 2PY 0.01105 -0.02889 -0.00097 0.13550 0.00586 71 2PZ -0.00931 0.01772 0.01627 -0.00559 0.00702 72 3S -0.01295 0.02677 -0.03680 0.05938 0.07080 73 3PX 0.00662 -0.01437 0.00627 0.00132 0.00568 74 3PY 0.00454 -0.01242 -0.00196 0.10448 0.01094 75 3PZ -0.01027 0.02058 0.01000 -0.00165 0.01672 76 4XX 0.00031 -0.00032 0.00140 0.00226 -0.00269 77 4YY 0.00035 -0.00120 -0.00051 -0.00223 0.00072 78 4ZZ -0.00024 0.00068 0.00158 0.00197 -0.00342 79 4XY 0.00079 -0.00193 0.00037 0.00332 0.00070 80 4XZ -0.00022 0.00068 -0.00132 -0.00299 0.00072 81 4YZ -0.00075 0.00177 0.00019 -0.00195 0.00060 82 9 H 1S 0.01026 -0.02490 0.06500 0.01385 0.02896 83 2S 0.00569 -0.01481 0.11696 0.03133 0.07579 84 10 C 1S 0.00003 0.00010 -0.00146 0.00082 -0.00083 85 2S 0.00038 -0.00105 0.00393 0.00067 0.00298 86 2PX 0.00239 -0.00426 -0.04298 -0.00099 -0.03254 87 2PY -0.00041 0.00031 0.00709 -0.00082 0.00410 88 2PZ 0.00198 -0.00298 -0.03009 -0.00197 -0.02199 89 3S -0.00543 0.01365 0.02263 -0.01673 0.01033 90 3PX 0.00315 -0.00674 -0.04378 0.00770 -0.03146 91 3PY -0.00232 0.00620 0.01543 -0.00395 0.00328 92 3PZ 0.00044 0.00085 -0.02316 -0.01232 -0.02613 93 4XX 0.00000 0.00009 -0.00031 0.00001 -0.00068 94 4YY -0.00004 0.00004 0.00041 0.00024 0.00034 95 4ZZ 0.00000 -0.00011 0.00058 0.00028 0.00066 96 4XY 0.00015 -0.00016 0.00003 -0.00001 0.00025 97 4XZ 0.00004 -0.00009 -0.00051 0.00026 -0.00007 98 4YZ 0.00002 0.00007 0.00033 -0.00006 -0.00020 99 11 C 1S -0.00022 -0.00032 -0.00195 0.00012 -0.00038 100 2S -0.00083 0.00189 0.01051 -0.00069 0.00617 101 2PX 0.00029 -0.00260 -0.00513 0.00505 0.01084 102 2PY -0.00057 0.00159 0.00636 -0.00591 -0.00505 103 2PZ -0.00037 -0.00240 -0.00385 0.00206 0.00365 104 3S 0.00478 -0.01174 -0.01335 0.01501 -0.00932 105 3PX -0.00035 -0.00061 -0.00596 0.01028 0.00680 106 3PY 0.00293 -0.00710 -0.01712 0.00352 -0.01285 107 3PZ -0.00037 -0.00262 -0.00465 0.00624 0.01132 108 4XX 0.00005 0.00009 -0.00283 -0.00057 -0.00299 109 4YY -0.00013 0.00025 0.00074 0.00051 0.00126 110 4ZZ -0.00024 0.00047 0.00252 -0.00016 0.00185 111 4XY -0.00001 0.00007 0.00087 -0.00024 0.00054 112 4XZ 0.00001 0.00013 -0.00148 -0.00050 -0.00179 113 4YZ -0.00001 -0.00003 0.00035 0.00001 0.00037 114 12 C 1S 0.00035 -0.00037 -0.00403 -0.00108 -0.00486 115 2S -0.00090 0.00121 0.00893 0.00202 0.01104 116 2PX 0.00001 -0.00059 0.00209 -0.00350 -0.00419 117 2PY -0.00021 0.00149 -0.00084 0.00314 0.00134 118 2PZ 0.00074 -0.00001 -0.00991 -0.00003 -0.00774 119 3S -0.00140 0.00521 0.02568 0.00377 0.01636 120 3PX -0.00066 0.00117 0.00457 -0.01137 -0.00985 121 3PY -0.00032 0.00171 -0.00796 0.00147 -0.00791 122 3PZ 0.00120 -0.00313 -0.00205 0.00659 0.00189 123 4XX 0.00004 -0.00018 -0.00035 0.00002 -0.00015 124 4YY -0.00004 0.00000 -0.00056 0.00024 -0.00030 125 4ZZ -0.00007 0.00014 -0.00002 -0.00066 -0.00126 126 4XY -0.00020 0.00047 0.00080 0.00022 0.00112 127 4XZ 0.00011 -0.00016 -0.00059 -0.00033 -0.00133 128 4YZ -0.00014 0.00015 0.00081 0.00016 0.00077 129 13 C 1S -0.00055 0.00228 0.00379 0.00113 0.00311 130 2S 0.00098 -0.00251 -0.01216 0.00119 -0.00877 131 2PX -0.00447 0.00960 0.01821 0.00503 0.02212 132 2PY 0.00124 -0.00339 -0.00614 -0.00450 -0.00843 133 2PZ -0.00164 0.00098 0.00591 -0.00075 -0.00285 134 3S 0.00838 -0.01857 -0.01243 -0.03109 -0.02058 135 3PX -0.00231 0.00415 0.01345 0.01806 0.03044 136 3PY 0.00264 -0.00503 -0.01905 -0.00888 -0.03005 137 3PZ 0.00095 -0.00117 -0.02779 -0.01358 -0.04829 138 4XX 0.00014 -0.00029 0.00092 -0.00024 0.00025 139 4YY -0.00007 0.00012 0.00022 0.00054 0.00078 140 4ZZ 0.00013 -0.00040 -0.00224 0.00010 -0.00181 141 4XY -0.00014 0.00034 0.00076 0.00014 0.00109 142 4XZ -0.00013 0.00031 0.00009 -0.00041 -0.00039 143 4YZ -0.00001 -0.00010 -0.00011 -0.00023 -0.00069 144 14 C 1S -0.00006 0.00144 0.00873 0.00185 0.00817 145 2S 0.00125 -0.00358 -0.01383 -0.00158 -0.00917 146 2PX -0.00405 0.00924 0.06017 0.00855 0.05230 147 2PY -0.00016 0.00011 0.01144 -0.00102 0.01310 148 2PZ 0.00063 0.00160 0.01990 0.00432 0.02772 149 3S -0.00072 0.00712 -0.06028 -0.03800 -0.09401 150 3PX 0.00230 -0.00370 0.03299 -0.01212 0.02373 151 3PY 0.00276 -0.00819 0.03530 0.00543 0.05517 152 3PZ -0.00411 0.00913 0.03605 0.01761 0.04427 153 4XX 0.00035 -0.00046 0.00294 0.00031 0.00201 154 4YY 0.00017 -0.00051 -0.00017 0.00000 0.00057 155 4ZZ 0.00017 -0.00055 -0.00088 0.00001 0.00046 156 4XY 0.00005 -0.00017 -0.00094 0.00031 0.00013 157 4XZ 0.00011 -0.00025 0.00017 0.00046 0.00175 158 4YZ 0.00000 -0.00013 -0.00009 -0.00005 -0.00007 159 15 C 1S 0.00025 -0.00130 -0.00318 -0.00082 -0.00062 160 2S -0.00140 0.00318 0.01247 -0.00223 0.00104 161 2PX 0.00322 -0.00264 -0.00855 0.00005 -0.00173 162 2PY -0.00047 0.00154 0.00185 0.00070 -0.00194 163 2PZ 0.00086 0.00028 0.00691 0.00066 0.00447 164 3S 0.00078 -0.00744 0.01279 0.03841 0.04591 165 3PX 0.00142 0.00209 -0.00825 -0.01578 -0.02065 166 3PY -0.00426 0.00990 0.01624 0.00469 0.00921 167 3PZ 0.00192 -0.00329 0.00868 0.01120 0.01861 168 4XX 0.00007 -0.00017 -0.00236 -0.00046 -0.00184 169 4YY -0.00006 0.00022 0.00167 -0.00015 0.00099 170 4ZZ -0.00013 0.00056 0.00254 -0.00020 0.00209 171 4XY 0.00001 0.00003 0.00169 0.00006 0.00139 172 4XZ 0.00007 -0.00008 -0.00035 -0.00047 -0.00009 173 4YZ -0.00018 0.00030 0.00253 0.00051 0.00235 174 16 H 1S -0.00010 0.00005 0.00034 -0.00007 -0.00141 175 2S -0.00077 0.00191 0.00460 -0.00423 -0.00301 176 17 H 1S 0.00027 -0.00065 0.00042 0.00412 0.00615 177 2S 0.00065 -0.00183 -0.00849 0.00307 0.00136 178 18 H 1S -0.00029 0.00059 0.00035 0.00238 0.00407 179 2S -0.00186 0.00406 -0.00764 -0.00835 -0.00689 180 19 H 1S 0.00247 -0.00571 -0.00294 -0.00146 -0.00482 181 2S -0.00390 0.00520 0.03403 0.03717 0.06462 182 20 H 1S 0.00030 -0.00116 -0.00315 -0.00246 -0.00083 183 2S -0.00252 0.00540 0.00050 0.00906 -0.00039 184 21 H 1S 0.00019 0.00028 -0.00314 0.00017 -0.00405 185 2S 0.00148 -0.00270 -0.00739 0.00120 -0.00147 186 22 H 1S 0.00058 -0.00069 -0.00313 -0.00274 -0.00692 187 2S 0.00121 -0.00103 -0.01763 -0.00412 -0.02055 188 23 H 1S -0.00177 0.00218 0.00117 -0.00040 -0.00143 189 2S -0.00269 0.00416 0.00434 0.00206 0.00444 51 52 53 54 55 51 3S 0.75617 52 3PX -0.03227 0.26575 53 3PY 0.14003 -0.03243 0.26973 54 3PZ 0.04146 0.13777 0.03457 0.30867 55 4XX -0.00420 0.00785 0.00285 0.00301 0.00104 56 4YY -0.01835 -0.00028 -0.02559 -0.00326 -0.00033 57 4ZZ -0.00647 -0.00401 0.00371 -0.00474 0.00002 58 4XY 0.00491 -0.01726 0.00594 -0.00505 -0.00037 59 4XZ -0.00741 -0.00078 0.00087 0.00424 -0.00009 60 4YZ -0.00414 -0.00508 -0.00254 -0.01812 -0.00023 61 5 H 1S -0.07739 -0.00235 -0.00925 0.03209 0.00288 62 2S -0.06861 0.00180 -0.01055 0.04926 0.00108 63 6 H 1S 0.01896 0.02011 -0.01569 -0.00334 -0.00004 64 2S 0.01360 0.04088 -0.03100 0.00713 0.00016 65 7 H 1S -0.04559 -0.02839 0.00980 -0.06367 -0.00188 66 2S -0.02892 -0.07367 0.01843 -0.12025 -0.00272 67 8 O 1S -0.01294 0.00662 -0.00453 -0.01028 0.00031 68 2S 0.02674 -0.01439 0.01239 0.02059 -0.00032 69 2PX -0.03681 0.00625 0.00190 0.00997 0.00140 70 2PY -0.05941 -0.00137 0.10448 0.00182 -0.00226 71 2PZ 0.07057 0.00569 -0.01073 0.01672 -0.00269 72 3S 0.08395 -0.02856 0.02902 0.05957 -0.00148 73 3PX -0.02856 0.00660 0.00114 0.00632 0.00031 74 3PY -0.02905 -0.00118 0.07828 0.00624 -0.00118 75 3PZ 0.05942 0.00632 -0.00611 0.02061 -0.00183 76 4XX -0.00148 0.00031 0.00118 -0.00184 0.00050 77 4YY -0.00514 0.00009 -0.00014 -0.00022 -0.00026 78 4ZZ 0.00136 0.00074 0.00093 -0.00230 -0.00004 79 4XY -0.00244 -0.00007 0.00244 0.00041 -0.00010 80 4XZ 0.00058 -0.00070 -0.00179 0.00023 -0.00005 81 4YZ 0.00256 -0.00036 -0.00156 0.00015 0.00000 82 9 H 1S -0.04015 0.05427 0.00598 0.03098 0.00638 83 2S -0.01084 0.08766 0.01557 0.06857 0.00588 84 10 C 1S -0.00062 -0.00134 0.00076 -0.00103 0.00009 85 2S -0.00216 0.00261 0.00013 0.00347 -0.00010 86 2PX -0.01713 -0.03875 -0.00028 -0.03007 0.00275 87 2PY 0.00388 0.00824 -0.00032 0.00420 -0.00069 88 2PZ -0.01807 -0.03028 -0.00154 -0.01978 0.00236 89 3S 0.01895 0.01846 -0.01304 0.01202 -0.00048 90 3PX -0.01954 -0.03914 0.00586 -0.02948 0.00241 91 3PY 0.00642 0.01303 -0.00226 0.00467 -0.00063 92 3PZ -0.00832 -0.02229 -0.00873 -0.02174 0.00160 93 4XX -0.00044 -0.00021 0.00012 -0.00053 0.00002 94 4YY 0.00028 0.00031 0.00018 0.00031 -0.00002 95 4ZZ 0.00054 0.00046 0.00004 0.00051 -0.00001 96 4XY -0.00179 -0.00025 0.00020 0.00043 0.00007 97 4XZ -0.00022 -0.00043 0.00024 -0.00015 0.00002 98 4YZ -0.00067 0.00025 0.00007 -0.00008 0.00004 99 11 C 1S 0.00417 -0.00086 -0.00084 -0.00100 0.00013 100 2S 0.00261 0.00949 -0.00064 0.00694 -0.00070 101 2PX 0.00465 -0.00801 0.00068 0.00651 0.00054 102 2PY 0.00353 0.00668 -0.00533 -0.00313 -0.00032 103 2PZ 0.01627 -0.00036 -0.00212 0.00011 -0.00035 104 3S -0.02203 -0.00986 0.01201 -0.00804 -0.00027 105 3PX 0.00579 -0.00762 0.00555 0.00209 0.00061 106 3PY -0.01076 -0.01264 0.00297 -0.01195 0.00014 107 3PZ 0.01414 -0.00164 0.00117 0.00635 -0.00022 108 4XX -0.00127 -0.00284 -0.00037 -0.00270 0.00027 109 4YY 0.00029 0.00057 0.00046 0.00101 -0.00002 110 4ZZ 0.00151 0.00228 -0.00020 0.00155 -0.00012 111 4XY -0.00020 0.00058 -0.00018 0.00056 -0.00002 112 4XZ -0.00050 -0.00134 -0.00030 -0.00155 0.00009 113 4YZ 0.00001 0.00031 -0.00001 0.00032 0.00000 114 12 C 1S -0.00302 -0.00390 -0.00036 -0.00478 0.00039 115 2S 0.00783 0.00955 0.00117 0.00935 -0.00038 116 2PX 0.00136 0.00213 -0.00403 -0.00350 -0.00086 117 2PY -0.00363 -0.00072 0.00358 0.00255 0.00006 118 2PZ -0.01228 -0.01195 0.00176 -0.00677 0.00102 119 3S 0.00765 0.02359 0.00329 0.01696 -0.00092 120 3PX 0.00275 0.00319 -0.00885 -0.00550 -0.00070 121 3PY -0.00053 -0.00614 0.00120 -0.00421 -0.00017 122 3PZ -0.01043 -0.00361 0.00582 -0.00021 0.00061 123 4XX -0.00035 -0.00054 0.00000 -0.00026 0.00007 124 4YY 0.00020 -0.00032 0.00020 -0.00007 -0.00005 125 4ZZ -0.00016 0.00000 -0.00047 -0.00093 -0.00002 126 4XY 0.00093 0.00060 0.00006 0.00079 0.00004 127 4XZ -0.00111 -0.00059 -0.00009 -0.00109 0.00003 128 4YZ 0.00109 0.00079 -0.00008 0.00050 -0.00003 129 13 C 1S -0.00116 0.00096 0.00085 0.00116 0.00046 130 2S -0.00487 -0.00699 0.00248 -0.00346 -0.00072 131 2PX 0.02701 0.01209 -0.00200 0.01267 0.00019 132 2PY -0.00436 -0.00447 -0.00333 -0.00583 -0.00039 133 2PZ 0.01800 0.00652 -0.00534 -0.00688 0.00000 134 3S -0.02751 -0.00869 -0.01880 -0.01340 -0.00045 135 3PX 0.01420 0.01046 0.00956 0.01985 0.00034 136 3PY -0.00733 -0.01349 -0.00607 -0.02004 -0.00079 137 3PZ 0.00316 -0.01963 -0.01096 -0.03607 -0.00089 138 4XX -0.00059 0.00078 -0.00013 0.00032 -0.00003 139 4YY 0.00044 0.00045 0.00037 0.00083 -0.00008 140 4ZZ -0.00016 -0.00192 -0.00007 -0.00189 0.00010 141 4XY 0.00080 0.00051 -0.00004 0.00072 0.00001 142 4XZ 0.00116 -0.00034 -0.00063 -0.00109 0.00016 143 4YZ 0.00073 0.00011 -0.00034 -0.00072 -0.00002 144 14 C 1S -0.00559 0.00394 0.00167 0.00726 0.00024 145 2S -0.00094 -0.01002 -0.00082 -0.00761 -0.00022 146 2PX 0.01764 0.05167 0.00510 0.04911 -0.00249 147 2PY 0.00059 0.01066 -0.00139 0.01408 -0.00102 148 2PZ -0.01794 0.01442 0.00720 0.03125 -0.00083 149 3S 0.00111 -0.04703 -0.02461 -0.06981 -0.00102 150 3PX -0.00865 0.02859 -0.00712 0.02547 -0.00166 151 3PY -0.00732 0.02793 0.00338 0.04144 0.00027 152 3PZ 0.00834 0.02875 0.01325 0.04036 -0.00089 153 4XX -0.00246 0.00149 0.00033 0.00128 0.00033 154 4YY 0.00010 0.00019 -0.00005 0.00055 -0.00011 155 4ZZ 0.00027 -0.00035 -0.00007 0.00015 -0.00007 156 4XY -0.00047 -0.00084 0.00030 -0.00014 0.00008 157 4XZ -0.00071 -0.00012 0.00019 0.00076 0.00020 158 4YZ 0.00071 0.00009 -0.00017 -0.00036 -0.00001 159 15 C 1S 0.00114 -0.00189 -0.00093 -0.00173 -0.00008 160 2S 0.00790 0.01051 -0.00179 0.00208 -0.00055 161 2PX -0.03878 -0.01373 0.00431 0.00205 0.00231 162 2PY 0.00181 0.00021 0.00013 -0.00176 0.00019 163 2PZ -0.01431 0.00371 0.00182 0.00527 0.00100 164 3S 0.00172 0.01077 0.02534 0.03152 0.00069 165 3PX -0.02458 -0.01130 -0.00766 -0.01292 0.00148 166 3PY 0.01278 0.01243 0.00281 0.00861 -0.00013 167 3PZ -0.01834 0.00390 0.00920 0.01395 0.00156 168 4XX -0.00011 -0.00200 -0.00036 -0.00202 0.00013 169 4YY 0.00019 0.00128 -0.00012 0.00108 -0.00005 170 4ZZ 0.00009 0.00180 -0.00005 0.00199 -0.00002 171 4XY -0.00011 0.00141 0.00014 0.00138 -0.00009 172 4XZ -0.00016 -0.00017 -0.00034 -0.00013 0.00000 173 4YZ 0.00123 0.00239 0.00031 0.00209 -0.00014 174 16 H 1S 0.00234 0.00114 -0.00026 -0.00127 -0.00010 175 2S 0.00492 0.00487 -0.00316 -0.00200 -0.00028 176 17 H 1S -0.00283 0.00000 0.00402 0.00529 -0.00014 177 2S -0.00273 -0.00712 0.00308 0.00042 0.00008 178 18 H 1S 0.00244 -0.00060 0.00185 0.00296 0.00050 179 2S 0.01128 -0.00766 -0.00726 -0.00399 0.00018 180 19 H 1S -0.01332 0.00014 0.00175 -0.00081 -0.00054 181 2S 0.00936 0.02977 0.02627 0.04875 0.00006 182 20 H 1S 0.00161 -0.00072 -0.00217 0.00107 -0.00078 183 2S 0.01046 0.00210 0.00532 0.00268 -0.00088 184 21 H 1S -0.00398 -0.00455 0.00079 -0.00269 0.00028 185 2S -0.00955 -0.00833 0.00169 -0.00181 0.00063 186 22 H 1S -0.00617 -0.00335 -0.00131 -0.00539 0.00001 187 2S -0.01246 -0.01544 -0.00141 -0.01638 0.00042 188 23 H 1S 0.01642 0.00081 -0.00445 -0.00560 0.00021 189 2S 0.01704 0.00080 -0.00283 -0.00444 0.00130 56 57 58 59 60 56 4YY 0.00294 57 4ZZ -0.00023 0.00079 58 4XY -0.00030 0.00034 0.00161 59 4XZ 0.00005 -0.00011 0.00008 0.00045 60 4YZ 0.00015 0.00019 -0.00006 -0.00028 0.00151 61 5 H 1S 0.00091 0.00569 0.00313 -0.00366 -0.00319 62 2S 0.00186 0.00403 0.00327 -0.00123 -0.00429 63 6 H 1S 0.00061 -0.00074 0.00076 0.00092 -0.00109 64 2S 0.00204 -0.00140 -0.00066 0.00084 -0.00142 65 7 H 1S 0.00010 0.00616 0.00033 -0.00215 -0.00169 66 2S -0.00146 0.00636 0.00177 -0.00178 0.00306 67 8 O 1S 0.00035 -0.00024 -0.00079 -0.00022 0.00075 68 2S -0.00119 0.00068 0.00193 0.00068 -0.00177 69 2PX -0.00051 0.00158 -0.00037 -0.00132 -0.00020 70 2PY 0.00223 -0.00197 0.00332 0.00299 -0.00194 71 2PZ 0.00073 -0.00341 -0.00069 0.00072 -0.00060 72 3S -0.00513 0.00135 0.00244 0.00059 -0.00258 73 3PX 0.00009 0.00074 0.00008 -0.00070 0.00036 74 3PY 0.00014 -0.00094 0.00244 0.00180 -0.00155 75 3PZ -0.00021 -0.00229 -0.00040 0.00023 -0.00015 76 4XX -0.00026 -0.00004 0.00010 -0.00005 0.00000 77 4YY 0.00085 -0.00029 0.00011 0.00015 -0.00014 78 4ZZ -0.00029 0.00025 -0.00002 -0.00008 0.00004 79 4XY -0.00011 0.00002 -0.00029 0.00001 0.00012 80 4XZ 0.00015 -0.00008 -0.00001 0.00004 -0.00002 81 4YZ 0.00014 -0.00005 0.00012 0.00002 -0.00034 82 9 H 1S -0.00046 -0.00214 0.00192 -0.00194 -0.00018 83 2S -0.00280 -0.00286 -0.00179 -0.00098 -0.00080 84 10 C 1S 0.00004 0.00014 0.00003 -0.00002 -0.00002 85 2S 0.00005 -0.00011 -0.00009 0.00004 0.00009 86 2PX 0.00045 -0.00128 0.00141 0.00042 0.00003 87 2PY -0.00012 -0.00010 -0.00026 -0.00002 0.00013 88 2PZ 0.00073 -0.00096 0.00123 0.00035 0.00003 89 3S 0.00033 -0.00012 -0.00098 -0.00059 0.00006 90 3PX 0.00017 -0.00105 0.00170 0.00059 0.00005 91 3PY 0.00018 0.00029 -0.00061 -0.00016 -0.00005 92 3PZ 0.00089 -0.00080 0.00083 0.00001 0.00032 93 4XX 0.00002 0.00007 0.00003 -0.00001 -0.00003 94 4YY -0.00002 -0.00002 -0.00003 0.00000 0.00002 95 4ZZ -0.00004 -0.00003 -0.00003 0.00000 0.00000 96 4XY 0.00007 0.00009 0.00002 0.00001 -0.00006 97 4XZ 0.00000 -0.00001 0.00002 0.00001 0.00000 98 4YZ 0.00003 0.00008 -0.00001 -0.00001 -0.00005 99 11 C 1S -0.00035 -0.00059 -0.00006 0.00001 0.00000 100 2S 0.00001 0.00049 -0.00032 -0.00012 -0.00005 101 2PX -0.00039 -0.00161 -0.00006 0.00025 0.00046 102 2PY 0.00001 0.00047 0.00005 -0.00009 -0.00022 103 2PZ -0.00100 -0.00142 -0.00023 0.00015 0.00048 104 3S -0.00009 0.00112 0.00078 0.00042 -0.00012 105 3PX -0.00059 -0.00155 -0.00003 0.00039 0.00021 106 3PY -0.00005 0.00034 0.00065 0.00024 0.00012 107 3PZ -0.00108 -0.00116 -0.00012 0.00009 0.00030 108 4XX 0.00006 -0.00011 0.00012 0.00002 -0.00002 109 4YY -0.00002 -0.00001 -0.00005 -0.00001 0.00000 110 4ZZ -0.00004 0.00003 -0.00008 -0.00002 -0.00004 111 4XY 0.00003 0.00002 -0.00001 0.00000 -0.00001 112 4XZ 0.00004 -0.00003 0.00007 0.00001 -0.00002 113 4YZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 114 12 C 1S 0.00020 0.00013 0.00012 0.00004 0.00012 115 2S -0.00039 0.00006 -0.00032 -0.00003 -0.00006 116 2PX 0.00015 0.00014 -0.00017 -0.00017 -0.00007 117 2PY 0.00010 0.00042 -0.00007 -0.00007 -0.00019 118 2PZ 0.00069 -0.00005 0.00049 0.00004 -0.00002 119 3S -0.00005 0.00063 -0.00065 -0.00026 -0.00011 120 3PX 0.00042 0.00017 -0.00030 -0.00021 0.00039 121 3PY 0.00011 0.00045 0.00028 -0.00025 0.00016 122 3PZ 0.00010 0.00006 0.00015 0.00019 -0.00026 123 4XX 0.00001 -0.00004 0.00001 0.00001 0.00000 124 4YY -0.00003 0.00001 0.00001 0.00001 0.00005 125 4ZZ 0.00003 0.00004 0.00001 -0.00001 0.00000 126 4XY 0.00000 -0.00004 -0.00002 -0.00005 -0.00005 127 4XZ 0.00006 0.00004 0.00002 -0.00001 -0.00002 128 4YZ -0.00005 -0.00005 -0.00005 -0.00001 -0.00001 129 13 C 1S 0.00040 0.00021 -0.00008 -0.00030 -0.00031 130 2S -0.00042 0.00056 0.00060 0.00048 0.00067 131 2PX 0.00023 -0.00143 -0.00077 -0.00179 -0.00146 132 2PY 0.00003 0.00011 0.00045 0.00033 0.00046 133 2PZ -0.00064 -0.00159 -0.00066 -0.00045 0.00005 134 3S 0.00149 -0.00029 0.00034 0.00070 0.00141 135 3PX -0.00081 -0.00048 -0.00029 -0.00073 -0.00148 136 3PY 0.00050 0.00048 0.00084 -0.00009 0.00138 137 3PZ 0.00054 -0.00017 0.00070 -0.00054 0.00194 138 4XX -0.00002 0.00005 -0.00005 0.00002 0.00000 139 4YY -0.00001 0.00006 -0.00001 -0.00002 0.00001 140 4ZZ 0.00000 -0.00010 0.00010 -0.00001 0.00001 141 4XY 0.00003 -0.00003 -0.00004 -0.00007 -0.00006 142 4XZ 0.00000 -0.00024 -0.00003 -0.00005 -0.00007 143 4YZ -0.00004 -0.00005 -0.00002 -0.00001 0.00002 144 14 C 1S 0.00041 0.00077 -0.00030 -0.00009 -0.00035 145 2S 0.00028 -0.00013 0.00069 0.00043 0.00059 146 2PX -0.00014 0.00221 -0.00263 -0.00078 -0.00104 147 2PY 0.00053 0.00025 -0.00049 -0.00004 0.00015 148 2PZ 0.00077 0.00242 -0.00036 -0.00006 -0.00080 149 3S 0.00234 0.00016 0.00189 -0.00060 0.00344 150 3PX 0.00115 0.00189 -0.00171 -0.00060 -0.00027 151 3PY -0.00011 -0.00023 -0.00110 0.00050 -0.00177 152 3PZ -0.00071 0.00144 -0.00119 -0.00008 -0.00116 153 4XX -0.00001 -0.00001 -0.00010 0.00002 -0.00021 154 4YY 0.00002 -0.00003 -0.00001 0.00003 0.00004 155 4ZZ -0.00005 -0.00002 0.00005 0.00000 0.00000 156 4XY -0.00002 -0.00004 0.00003 0.00003 -0.00003 157 4XZ -0.00001 -0.00007 0.00002 -0.00005 -0.00017 158 4YZ -0.00004 -0.00006 -0.00002 0.00000 0.00002 159 15 C 1S -0.00033 -0.00035 0.00003 -0.00017 0.00007 160 2S -0.00005 0.00000 -0.00064 -0.00006 0.00021 161 2PX 0.00142 0.00131 0.00060 0.00018 -0.00132 162 2PY 0.00003 0.00040 -0.00017 -0.00001 -0.00016 163 2PZ 0.00070 0.00115 -0.00032 -0.00009 -0.00089 164 3S -0.00216 -0.00044 0.00003 0.00101 -0.00164 165 3PX 0.00174 0.00103 0.00020 -0.00032 -0.00030 166 3PY -0.00044 0.00032 -0.00066 -0.00012 -0.00037 167 3PZ 0.00007 0.00067 -0.00002 0.00034 -0.00151 168 4XX 0.00000 -0.00012 0.00009 0.00002 0.00002 169 4YY 0.00002 0.00001 -0.00007 -0.00001 0.00000 170 4ZZ 0.00003 0.00007 -0.00009 -0.00003 -0.00006 171 4XY 0.00000 0.00009 -0.00005 -0.00001 -0.00002 172 4XZ 0.00002 -0.00001 0.00000 -0.00002 0.00001 173 4YZ -0.00005 0.00008 -0.00010 -0.00002 -0.00002 174 16 H 1S -0.00015 0.00007 -0.00012 -0.00005 -0.00001 175 2S 0.00000 0.00022 -0.00030 -0.00015 -0.00001 176 17 H 1S 0.00004 0.00006 -0.00017 0.00000 0.00008 177 2S -0.00003 -0.00023 0.00002 0.00006 0.00028 178 18 H 1S -0.00015 -0.00026 0.00004 0.00001 0.00004 179 2S 0.00006 -0.00049 0.00018 -0.00030 0.00058 180 19 H 1S -0.00055 0.00098 0.00014 0.00117 0.00064 181 2S -0.00276 0.00098 -0.00087 0.00114 -0.00221 182 20 H 1S 0.00045 -0.00011 0.00008 0.00013 0.00054 183 2S -0.00030 0.00018 -0.00008 -0.00014 0.00048 184 21 H 1S 0.00012 0.00003 0.00020 0.00012 -0.00002 185 2S 0.00018 -0.00002 0.00051 0.00021 -0.00026 186 22 H 1S 0.00039 0.00029 0.00021 0.00001 -0.00001 187 2S 0.00062 0.00048 0.00079 0.00008 0.00007 188 23 H 1S -0.00032 -0.00157 -0.00023 -0.00065 -0.00028 189 2S -0.00042 -0.00218 -0.00037 -0.00047 -0.00097 61 62 63 64 65 61 5 H 1S 0.21550 62 2S 0.15288 0.12401 63 6 H 1S -0.01120 -0.00664 0.21548 64 2S -0.00665 0.00087 0.15283 0.12393 65 7 H 1S -0.00730 -0.01730 -0.00729 -0.01726 0.22401 66 2S -0.01842 -0.03276 -0.01838 -0.03267 0.18437 67 8 O 1S -0.00352 -0.00324 0.01459 0.01573 0.00889 68 2S 0.00990 0.00968 -0.02982 -0.03190 -0.02015 69 2PX 0.02878 0.05950 -0.01402 -0.01602 -0.02511 70 2PY 0.01996 0.04323 0.01732 0.02193 -0.01446 71 2PZ -0.00581 0.00669 0.04333 0.07304 -0.07387 72 3S 0.01899 0.01367 -0.07740 -0.06869 -0.04564 73 3PX 0.02013 0.04090 -0.00238 0.00172 -0.02836 74 3PY 0.01569 0.03096 0.00921 0.01052 -0.00970 75 3PZ -0.00326 0.00730 0.03205 0.04913 -0.06365 76 4XX -0.00004 0.00016 0.00288 0.00109 -0.00188 77 4YY 0.00060 0.00203 0.00090 0.00185 0.00010 78 4ZZ -0.00074 -0.00139 0.00570 0.00403 0.00617 79 4XY -0.00077 0.00066 -0.00312 -0.00327 -0.00032 80 4XZ 0.00091 0.00084 -0.00366 -0.00124 -0.00215 81 4YZ 0.00110 0.00143 0.00318 0.00428 0.00168 82 9 H 1S -0.00081 0.00160 -0.00083 0.00155 -0.04299 83 2S -0.00205 0.00589 -0.00208 0.00582 -0.08220 84 10 C 1S 0.00040 0.00059 0.00083 0.00006 0.00063 85 2S -0.00106 -0.00059 -0.00297 -0.00133 -0.00138 86 2PX -0.00592 -0.02536 0.02681 0.01962 0.00486 87 2PY -0.00079 -0.00063 -0.00212 -0.00408 -0.00007 88 2PZ -0.00433 -0.01692 0.02055 0.00488 0.00085 89 3S 0.00810 0.00615 -0.00652 -0.00205 -0.01201 90 3PX -0.00939 -0.02182 0.02163 0.01154 0.00790 91 3PY 0.00344 0.00526 -0.00340 -0.00511 0.00188 92 3PZ -0.00180 -0.01228 0.01685 0.00914 -0.00142 93 4XX 0.00094 0.00117 -0.00102 -0.00139 0.00039 94 4YY -0.00043 -0.00052 0.00002 0.00026 -0.00023 95 4ZZ -0.00017 -0.00024 0.00110 0.00140 -0.00041 96 4XY 0.00129 0.00126 -0.00076 -0.00166 0.00014 97 4XZ -0.00016 -0.00024 0.00068 0.00025 0.00006 98 4YZ 0.00122 0.00070 -0.00058 -0.00089 0.00038 99 11 C 1S -0.00217 -0.00428 0.00599 0.00672 -0.00145 100 2S 0.00569 0.00821 -0.01490 -0.01321 0.00102 101 2PX -0.01890 -0.02247 0.02502 0.02729 -0.00986 102 2PY 0.00821 0.01243 -0.00208 -0.00710 0.00186 103 2PZ -0.01270 -0.02171 0.02145 0.02813 -0.00338 104 3S 0.00328 0.00517 -0.01931 -0.02500 0.02153 105 3PX -0.01992 -0.02253 0.02448 0.02489 -0.00376 106 3PY -0.00383 -0.00366 -0.00640 -0.01123 0.01271 107 3PZ -0.01167 -0.01653 0.01185 0.01822 -0.00669 108 4XX -0.00039 -0.00120 0.00237 0.00128 -0.00018 109 4YY -0.00023 -0.00024 -0.00130 -0.00061 -0.00012 110 4ZZ 0.00048 0.00102 0.00016 0.00053 -0.00023 111 4XY 0.00024 0.00025 0.00041 0.00025 0.00000 112 4XZ -0.00001 -0.00013 0.00177 0.00071 0.00017 113 4YZ 0.00028 0.00010 0.00041 0.00066 -0.00002 114 12 C 1S -0.00132 -0.00232 0.00046 0.00048 0.00270 115 2S 0.00099 0.00126 0.00108 0.00572 -0.00472 116 2PX 0.00111 0.00626 -0.00160 -0.00503 0.00804 117 2PY 0.00171 0.00757 -0.00108 0.00100 -0.00102 118 2PZ -0.00124 -0.00090 -0.00101 -0.00796 -0.00060 119 3S 0.01423 0.01822 -0.00633 -0.00094 -0.01207 120 3PX -0.00070 0.00230 0.00653 0.00371 0.00231 121 3PY 0.00473 0.00673 -0.00366 -0.00287 0.00034 122 3PZ -0.00304 -0.00337 -0.00267 -0.00751 0.00659 123 4XX -0.00050 -0.00091 0.00098 0.00069 0.00011 124 4YY -0.00037 -0.00020 0.00039 0.00064 -0.00020 125 4ZZ 0.00053 0.00066 -0.00090 -0.00134 0.00062 126 4XY 0.00014 -0.00005 -0.00011 0.00020 -0.00045 127 4XZ 0.00044 0.00083 -0.00130 -0.00175 0.00073 128 4YZ -0.00009 -0.00029 0.00010 0.00041 -0.00012 129 13 C 1S 0.00045 0.00047 -0.00132 -0.00232 0.00270 130 2S 0.00109 0.00574 0.00099 0.00125 -0.00472 131 2PX -0.00161 -0.00508 0.00110 0.00626 0.00804 132 2PY 0.00109 -0.00096 -0.00170 -0.00757 0.00102 133 2PZ -0.00104 -0.00807 -0.00124 -0.00091 -0.00059 134 3S -0.00625 -0.00086 0.01426 0.01826 -0.01213 135 3PX 0.00654 0.00370 -0.00070 0.00230 0.00231 136 3PY 0.00366 0.00288 -0.00473 -0.00674 -0.00034 137 3PZ -0.00274 -0.00762 -0.00307 -0.00339 0.00659 138 4XX 0.00098 0.00068 -0.00050 -0.00091 0.00011 139 4YY 0.00039 0.00065 -0.00037 -0.00020 -0.00020 140 4ZZ -0.00090 -0.00135 0.00053 0.00066 0.00062 141 4XY 0.00011 -0.00020 -0.00014 0.00005 0.00045 142 4XZ -0.00130 -0.00176 0.00044 0.00083 0.00073 143 4YZ -0.00010 -0.00041 0.00009 0.00029 0.00012 144 14 C 1S 0.00601 0.00676 -0.00217 -0.00428 -0.00145 145 2S -0.01493 -0.01325 0.00570 0.00823 0.00102 146 2PX 0.02506 0.02744 -0.01883 -0.02241 -0.00985 147 2PY 0.00205 0.00704 -0.00819 -0.01238 -0.00185 148 2PZ 0.02150 0.02830 -0.01268 -0.02170 -0.00338 149 3S -0.01949 -0.02522 0.00324 0.00515 0.02162 150 3PX 0.02452 0.02497 -0.01988 -0.02249 -0.00370 151 3PY 0.00646 0.01130 0.00388 0.00373 -0.01276 152 3PZ 0.01188 0.01832 -0.01163 -0.01649 -0.00673 153 4XX 0.00237 0.00128 -0.00039 -0.00119 -0.00017 154 4YY -0.00130 -0.00061 -0.00023 -0.00023 -0.00012 155 4ZZ 0.00016 0.00053 0.00048 0.00102 -0.00023 156 4XY -0.00041 -0.00025 -0.00024 -0.00025 0.00000 157 4XZ 0.00178 0.00071 -0.00001 -0.00013 0.00017 158 4YZ -0.00042 -0.00067 -0.00028 -0.00010 0.00002 159 15 C 1S 0.00082 0.00004 0.00040 0.00059 0.00063 160 2S -0.00296 -0.00131 -0.00107 -0.00060 -0.00138 161 2PX 0.02685 0.01973 -0.00590 -0.02537 0.00489 162 2PY 0.00213 0.00414 0.00079 0.00060 0.00007 163 2PZ 0.02061 0.00500 -0.00432 -0.01694 0.00086 164 3S -0.00646 -0.00195 0.00816 0.00621 -0.01211 165 3PX 0.02164 0.01157 -0.00940 -0.02185 0.00798 166 3PY 0.00338 0.00512 -0.00346 -0.00530 -0.00185 167 3PZ 0.01694 0.00927 -0.00178 -0.01227 -0.00144 168 4XX -0.00102 -0.00140 0.00094 0.00117 0.00039 169 4YY 0.00002 0.00026 -0.00043 -0.00052 -0.00023 170 4ZZ 0.00110 0.00141 -0.00018 -0.00024 -0.00041 171 4XY 0.00076 0.00166 -0.00128 -0.00125 -0.00014 172 4XZ 0.00068 0.00025 -0.00016 -0.00024 0.00006 173 4YZ 0.00057 0.00089 -0.00121 -0.00070 -0.00038 174 16 H 1S 0.00096 -0.00009 -0.00193 0.00431 0.00108 175 2S 0.00362 0.00234 -0.00036 0.00493 0.00094 176 17 H 1S -0.00202 -0.00285 -0.00803 -0.00432 0.00045 177 2S -0.00893 -0.01062 -0.00414 -0.00114 0.00163 178 18 H 1S -0.00257 -0.00698 0.00506 0.00719 -0.00402 179 2S -0.00623 -0.01089 0.01531 0.01710 -0.00758 180 19 H 1S 0.00508 0.00722 -0.00256 -0.00697 -0.00401 181 2S 0.01534 0.01716 -0.00621 -0.01088 -0.00757 182 20 H 1S -0.00806 -0.00437 -0.00202 -0.00284 0.00045 183 2S -0.00417 -0.00118 -0.00895 -0.01063 0.00164 184 21 H 1S -0.00193 0.00432 0.00095 -0.00011 0.00108 185 2S -0.00035 0.00497 0.00361 0.00233 0.00092 186 22 H 1S 0.00249 0.00466 -0.00510 -0.00974 0.00355 187 2S 0.00448 0.00592 -0.01064 -0.01714 0.00647 188 23 H 1S -0.00512 -0.00981 0.00248 0.00465 0.00356 189 2S -0.01067 -0.01722 0.00446 0.00590 0.00648 66 67 68 69 70 66 2S 0.19872 67 8 O 1S 0.00532 2.07557 68 2S -0.01017 -0.17799 0.50359 69 2PX -0.08180 0.01250 -0.02848 0.64792 70 2PY -0.02779 0.03973 -0.07465 0.02578 0.66572 71 2PZ -0.15908 -0.00477 0.00372 0.13783 -0.04098 72 3S -0.02900 -0.24522 0.59249 -0.04936 -0.22003 73 3PX -0.07362 0.00937 -0.02092 0.40598 0.03477 74 3PY -0.01825 0.02573 -0.04922 0.03527 0.42243 75 3PZ -0.12019 -0.00452 0.00462 0.14602 -0.04614 76 4XX -0.00272 -0.01520 -0.00285 0.01347 -0.00531 77 4YY -0.00145 -0.01267 -0.00834 -0.00250 0.04106 78 4ZZ 0.00636 -0.01397 -0.00547 -0.00533 -0.00589 79 4XY -0.00176 0.00149 -0.00343 0.02796 0.00807 80 4XZ -0.00178 0.00372 -0.00792 -0.00235 -0.00090 81 4YZ -0.00307 -0.00139 0.00292 0.00402 -0.00306 82 9 H 1S -0.08901 0.01026 -0.02490 0.06500 -0.01389 83 2S -0.12034 0.00569 -0.01481 0.11692 -0.03144 84 10 C 1S 0.00066 0.00025 -0.00129 -0.00316 0.00082 85 2S -0.00226 -0.00139 0.00317 0.01245 0.00223 86 2PX 0.01322 0.00321 -0.00263 -0.00850 -0.00005 87 2PY -0.00430 0.00047 -0.00153 -0.00183 0.00069 88 2PZ 0.00871 0.00086 0.00027 0.00688 -0.00066 89 3S -0.01727 0.00079 -0.00746 0.01253 -0.03846 90 3PX 0.01853 0.00141 0.00211 -0.00809 0.01578 91 3PY 0.00058 0.00425 -0.00987 -0.01631 0.00469 92 3PZ 0.00371 0.00192 -0.00331 0.00858 -0.01123 93 4XX 0.00096 0.00007 -0.00017 -0.00235 0.00047 94 4YY -0.00051 -0.00006 0.00022 0.00167 0.00014 95 4ZZ -0.00114 -0.00013 0.00056 0.00253 0.00020 96 4XY 0.00053 -0.00001 -0.00003 -0.00170 0.00006 97 4XZ 0.00017 0.00007 -0.00008 -0.00035 0.00047 98 4YZ 0.00089 0.00018 -0.00030 -0.00254 0.00052 99 11 C 1S -0.00191 -0.00006 0.00144 0.00870 -0.00185 100 2S 0.00051 0.00124 -0.00356 -0.01380 0.00158 101 2PX -0.01929 -0.00403 0.00920 0.06019 -0.00863 102 2PY 0.00327 0.00015 -0.00011 -0.01145 -0.00099 103 2PZ -0.01359 0.00063 0.00159 0.01993 -0.00436 104 3S 0.03427 -0.00071 0.00712 -0.05998 0.03809 105 3PX -0.00897 0.00229 -0.00370 0.03309 0.01203 106 3PY 0.02256 -0.00273 0.00815 -0.03521 0.00563 107 3PZ -0.01660 -0.00409 0.00911 0.03600 -0.01762 108 4XX 0.00052 0.00035 -0.00046 0.00292 -0.00032 109 4YY -0.00042 0.00017 -0.00051 -0.00016 0.00000 110 4ZZ -0.00083 0.00016 -0.00055 -0.00087 0.00000 111 4XY -0.00028 -0.00005 0.00017 0.00093 0.00031 112 4XZ 0.00005 0.00011 -0.00025 0.00017 -0.00046 113 4YZ -0.00029 0.00000 0.00013 0.00009 -0.00005 114 12 C 1S -0.00011 -0.00056 0.00228 0.00380 -0.00114 115 2S -0.00130 0.00099 -0.00252 -0.01216 -0.00117 116 2PX -0.01067 -0.00448 0.00962 0.01822 -0.00507 117 2PY -0.00205 -0.00124 0.00340 0.00615 -0.00452 118 2PZ 0.00670 -0.00165 0.00099 0.00593 0.00074 119 3S -0.00937 0.00837 -0.01854 -0.01258 0.03109 120 3PX -0.00804 -0.00231 0.00416 0.01346 -0.01813 121 3PY -0.00286 -0.00265 0.00504 0.01907 -0.00899 122 3PZ 0.01555 0.00096 -0.00119 -0.02772 0.01368 123 4XX 0.00053 0.00014 -0.00029 0.00093 0.00024 124 4YY -0.00022 -0.00007 0.00012 0.00022 -0.00054 125 4ZZ 0.00073 0.00013 -0.00040 -0.00224 -0.00010 126 4XY -0.00022 0.00014 -0.00034 -0.00076 0.00014 127 4XZ 0.00062 -0.00013 0.00031 0.00009 0.00041 128 4YZ -0.00042 0.00001 0.00011 0.00011 -0.00024 129 13 C 1S -0.00010 0.00035 -0.00036 -0.00404 0.00108 130 2S -0.00130 -0.00090 0.00121 0.00893 -0.00205 131 2PX -0.01068 0.00001 -0.00059 0.00209 0.00350 132 2PY 0.00202 0.00021 -0.00148 0.00087 0.00314 133 2PZ 0.00673 0.00074 -0.00001 -0.00994 0.00005 134 3S -0.00947 -0.00139 0.00520 0.02586 -0.00371 135 3PX -0.00805 -0.00066 0.00116 0.00457 0.01138 136 3PY 0.00286 0.00031 -0.00169 0.00795 0.00147 137 3PZ 0.01559 0.00119 -0.00312 -0.00209 -0.00665 138 4XX 0.00053 0.00004 -0.00018 -0.00035 -0.00002 139 4YY -0.00023 -0.00004 0.00000 -0.00056 -0.00024 140 4ZZ 0.00073 -0.00007 0.00014 -0.00002 0.00066 141 4XY 0.00022 0.00020 -0.00047 -0.00080 0.00022 142 4XZ 0.00062 0.00011 -0.00016 -0.00059 0.00033 143 4YZ 0.00042 0.00014 -0.00015 -0.00081 0.00016 144 14 C 1S -0.00192 -0.00022 -0.00033 -0.00196 -0.00012 145 2S 0.00051 -0.00083 0.00190 0.01055 0.00069 146 2PX -0.01930 0.00029 -0.00261 -0.00509 -0.00507 147 2PY -0.00326 0.00057 -0.00159 -0.00636 -0.00593 148 2PZ -0.01360 -0.00037 -0.00241 -0.00385 -0.00209 149 3S 0.03444 0.00478 -0.01173 -0.01344 -0.01505 150 3PX -0.00889 -0.00034 -0.00063 -0.00600 -0.01029 151 3PY -0.02265 -0.00292 0.00709 0.01726 0.00351 152 3PZ -0.01665 -0.00038 -0.00261 -0.00465 -0.00630 153 4XX 0.00052 0.00005 0.00009 -0.00284 0.00058 154 4YY -0.00043 -0.00013 0.00025 0.00074 -0.00051 155 4ZZ -0.00084 -0.00024 0.00047 0.00252 0.00016 156 4XY 0.00028 0.00001 -0.00007 -0.00087 -0.00024 157 4XZ 0.00005 0.00001 0.00013 -0.00149 0.00051 158 4YZ 0.00029 0.00001 0.00003 -0.00036 0.00001 159 15 C 1S 0.00066 0.00003 0.00010 -0.00146 -0.00082 160 2S -0.00226 0.00038 -0.00105 0.00391 -0.00068 161 2PX 0.01326 0.00238 -0.00425 -0.04306 0.00106 162 2PY 0.00430 0.00041 -0.00032 -0.00711 -0.00081 163 2PZ 0.00875 0.00198 -0.00298 -0.03019 0.00202 164 3S -0.01745 -0.00543 0.01364 0.02280 0.01674 165 3PX 0.01867 0.00314 -0.00674 -0.04394 -0.00763 166 3PY -0.00053 0.00232 -0.00621 -0.01554 -0.00399 167 3PZ 0.00367 0.00044 0.00084 -0.02320 0.01236 168 4XX 0.00096 0.00000 0.00009 -0.00031 -0.00001 169 4YY -0.00051 -0.00004 0.00004 0.00041 -0.00024 170 4ZZ -0.00114 0.00000 -0.00012 0.00058 -0.00028 171 4XY -0.00052 -0.00015 0.00016 -0.00003 -0.00001 172 4XZ 0.00017 0.00004 -0.00009 -0.00051 -0.00026 173 4YZ -0.00089 -0.00002 -0.00007 -0.00033 -0.00006 174 16 H 1S 0.00129 0.00019 0.00028 -0.00315 -0.00016 175 2S 0.00053 0.00148 -0.00269 -0.00743 -0.00121 176 17 H 1S 0.00001 0.00030 -0.00115 -0.00312 0.00246 177 2S 0.00217 -0.00251 0.00538 0.00055 -0.00900 178 18 H 1S 0.00595 0.00248 -0.00572 -0.00292 0.00146 179 2S -0.00845 -0.00390 0.00520 0.03408 -0.03732 180 19 H 1S 0.00597 -0.00029 0.00059 0.00035 -0.00239 181 2S -0.00842 -0.00186 0.00405 -0.00768 0.00836 182 20 H 1S 0.00001 0.00027 -0.00065 0.00043 -0.00415 183 2S 0.00219 0.00064 -0.00182 -0.00854 -0.00309 184 21 H 1S 0.00129 -0.00010 0.00005 0.00034 0.00008 185 2S 0.00049 -0.00077 0.00190 0.00464 0.00424 186 22 H 1S 0.00220 -0.00177 0.00219 0.00116 0.00041 187 2S 0.00728 -0.00270 0.00418 0.00434 -0.00208 188 23 H 1S 0.00219 0.00058 -0.00069 -0.00313 0.00275 189 2S 0.00729 0.00121 -0.00104 -0.01766 0.00417 71 72 73 74 75 71 2PZ 0.71641 72 3S 0.05272 0.75616 73 3PX 0.15874 -0.03225 0.26576 74 3PY -0.03762 -0.14008 0.03216 0.26986 75 3PZ 0.46269 0.04136 0.13783 -0.03454 0.30839 76 4XX 0.00322 -0.00420 0.00784 -0.00286 0.00301 77 4YY -0.00245 -0.01836 -0.00029 0.02560 -0.00326 78 4ZZ -0.00730 -0.00645 -0.00400 -0.00371 -0.00471 79 4XY 0.00450 -0.00489 0.01726 0.00593 0.00506 80 4XZ 0.00742 -0.00741 -0.00076 -0.00086 0.00424 81 4YZ 0.02923 0.00412 0.00508 -0.00251 0.01811 82 9 H 1S 0.02891 -0.04014 0.05427 -0.00602 0.03094 83 2S 0.07567 -0.01080 0.08764 -0.01567 0.06849 84 10 C 1S -0.00061 0.00114 -0.00189 0.00094 -0.00173 85 2S 0.00106 0.00790 0.01050 0.00179 0.00209 86 2PX -0.00171 -0.03867 -0.01367 -0.00429 0.00207 87 2PY 0.00195 -0.00183 -0.00021 0.00011 0.00177 88 2PZ 0.00447 -0.01425 0.00372 -0.00181 0.00526 89 3S 0.04552 0.00167 0.01056 -0.02537 0.03122 90 3PX -0.02043 -0.02446 -0.01116 0.00767 -0.01275 91 3PY -0.00930 -0.01276 -0.01250 0.00281 -0.00868 92 3PZ 0.01848 -0.01831 0.00384 -0.00921 0.01385 93 4XX -0.00184 -0.00011 -0.00200 0.00036 -0.00202 94 4YY 0.00100 0.00019 0.00129 0.00012 0.00108 95 4ZZ 0.00209 0.00009 0.00180 0.00005 0.00199 96 4XY -0.00140 0.00011 -0.00142 0.00014 -0.00139 97 4XZ -0.00009 -0.00016 -0.00017 0.00034 -0.00012 98 4YZ -0.00236 -0.00123 -0.00240 0.00032 -0.00209 99 11 C 1S 0.00814 -0.00561 0.00391 -0.00167 0.00723 100 2S -0.00917 -0.00091 -0.00999 0.00082 -0.00760 101 2PX 0.05237 0.01761 0.05170 -0.00517 0.04916 102 2PY -0.01314 -0.00056 -0.01068 -0.00135 -0.01411 103 2PZ 0.02775 -0.01788 0.01447 -0.00724 0.03125 104 3S -0.09355 0.00110 -0.04680 0.02468 -0.06947 105 3PX 0.02395 -0.00859 0.02870 0.00705 0.02564 106 3PY -0.05506 0.00725 -0.02786 0.00352 -0.04135 107 3PZ 0.04414 0.00833 0.02874 -0.01326 0.04027 108 4XX 0.00200 -0.00246 0.00148 -0.00033 0.00128 109 4YY 0.00057 0.00011 0.00020 0.00005 0.00055 110 4ZZ 0.00045 0.00027 -0.00035 0.00008 0.00015 111 4XY -0.00014 0.00047 0.00083 0.00030 0.00014 112 4XZ 0.00175 -0.00070 -0.00011 -0.00019 0.00076 113 4YZ 0.00007 -0.00070 -0.00009 -0.00017 0.00036 114 12 C 1S 0.00312 -0.00116 0.00097 -0.00086 0.00116 115 2S -0.00877 -0.00489 -0.00699 -0.00247 -0.00346 116 2PX 0.02212 0.02702 0.01209 0.00198 0.01267 117 2PY 0.00846 0.00434 0.00447 -0.00336 0.00585 118 2PZ -0.00279 0.01800 0.00653 0.00534 -0.00683 119 3S -0.02068 -0.02748 -0.00882 0.01880 -0.01349 120 3PX 0.03042 0.01421 0.01046 -0.00960 0.01983 121 3PY 0.03012 0.00735 0.01351 -0.00614 0.02009 122 3PZ -0.04814 0.00311 -0.01958 0.01102 -0.03596 123 4XX 0.00025 -0.00059 0.00078 0.00013 0.00033 124 4YY 0.00078 0.00044 0.00045 -0.00037 0.00083 125 4ZZ -0.00182 -0.00016 -0.00192 0.00007 -0.00189 126 4XY -0.00110 -0.00080 -0.00051 -0.00004 -0.00072 127 4XZ -0.00040 0.00116 -0.00035 0.00063 -0.00110 128 4YZ 0.00069 -0.00073 -0.00011 -0.00034 0.00072 129 13 C 1S -0.00486 -0.00302 -0.00391 0.00036 -0.00479 130 2S 0.01105 0.00784 0.00955 -0.00119 0.00936 131 2PX -0.00418 0.00132 0.00212 0.00402 -0.00349 132 2PY -0.00131 0.00366 0.00075 0.00360 -0.00253 133 2PZ -0.00780 -0.01231 -0.01199 -0.00175 -0.00682 134 3S 0.01648 0.00764 0.02374 -0.00327 0.01707 135 3PX -0.00981 0.00273 0.00319 0.00885 -0.00547 136 3PY 0.00788 0.00056 0.00613 0.00121 0.00420 137 3PZ 0.00187 -0.01042 -0.00365 -0.00585 -0.00024 138 4XX -0.00015 -0.00035 -0.00055 0.00000 -0.00026 139 4YY -0.00030 0.00020 -0.00032 -0.00020 -0.00007 140 4ZZ -0.00126 -0.00016 0.00000 0.00047 -0.00093 141 4XY -0.00112 -0.00093 -0.00060 0.00006 -0.00079 142 4XZ -0.00133 -0.00111 -0.00060 0.00009 -0.00110 143 4YZ -0.00077 -0.00109 -0.00079 -0.00008 -0.00050 144 14 C 1S -0.00038 0.00417 -0.00087 0.00084 -0.00100 145 2S 0.00620 0.00260 0.00952 0.00063 0.00697 146 2PX 0.01086 0.00467 -0.00798 -0.00069 0.00652 147 2PY 0.00506 -0.00356 -0.00668 -0.00535 0.00313 148 2PZ 0.00368 0.01629 -0.00036 0.00211 0.00014 149 3S -0.00947 -0.02206 -0.00993 -0.01204 -0.00814 150 3PX 0.00672 0.00574 -0.00766 -0.00556 0.00201 151 3PY 0.01298 0.01074 0.01274 0.00295 0.01205 152 3PZ 0.01135 0.01419 -0.00164 -0.00120 0.00637 153 4XX -0.00301 -0.00127 -0.00285 0.00038 -0.00271 154 4YY 0.00126 0.00029 0.00057 -0.00046 0.00102 155 4ZZ 0.00186 0.00152 0.00228 0.00020 0.00156 156 4XY -0.00054 0.00019 -0.00059 -0.00018 -0.00056 157 4XZ -0.00179 -0.00050 -0.00135 0.00030 -0.00155 158 4YZ -0.00037 -0.00001 -0.00031 -0.00001 -0.00033 159 15 C 1S -0.00083 -0.00063 -0.00134 -0.00076 -0.00103 160 2S 0.00295 -0.00216 0.00260 -0.00014 0.00345 161 2PX -0.03265 -0.01708 -0.03882 0.00035 -0.03018 162 2PY -0.00413 -0.00386 -0.00824 -0.00030 -0.00422 163 2PZ -0.02211 -0.01805 -0.03036 0.00159 -0.01989 164 3S 0.01057 0.01899 0.01860 0.01305 0.01221 165 3PX -0.03171 -0.01955 -0.03928 -0.00580 -0.02969 166 3PY -0.00337 -0.00642 -0.01312 -0.00228 -0.00475 167 3PZ -0.02613 -0.00831 -0.02233 0.00878 -0.02176 168 4XX -0.00068 -0.00044 -0.00021 -0.00012 -0.00053 169 4YY 0.00034 0.00028 0.00032 -0.00018 0.00030 170 4ZZ 0.00066 0.00054 0.00046 -0.00004 0.00051 171 4XY -0.00025 0.00178 0.00025 0.00020 -0.00043 172 4XZ -0.00007 -0.00022 -0.00043 -0.00024 -0.00015 173 4YZ 0.00020 0.00067 -0.00026 0.00007 0.00008 174 16 H 1S -0.00406 -0.00398 -0.00455 -0.00078 -0.00269 175 2S -0.00155 -0.00954 -0.00837 -0.00169 -0.00187 176 17 H 1S -0.00082 0.00162 -0.00070 0.00216 0.00107 177 2S -0.00038 0.01042 0.00214 -0.00529 0.00269 178 18 H 1S -0.00478 -0.01335 0.00016 -0.00175 -0.00078 179 2S 0.06462 0.00938 0.02982 -0.02637 0.04876 180 19 H 1S 0.00405 0.00245 -0.00061 -0.00185 0.00295 181 2S -0.00691 0.01127 -0.00769 0.00727 -0.00401 182 20 H 1S 0.00616 -0.00284 0.00001 -0.00404 0.00530 183 2S 0.00133 -0.00271 -0.00716 -0.00309 0.00039 184 21 H 1S -0.00140 0.00235 0.00114 0.00027 -0.00126 185 2S -0.00294 0.00494 0.00491 0.00317 -0.00195 186 22 H 1S -0.00144 0.01641 0.00080 0.00446 -0.00561 187 2S 0.00442 0.01707 0.00079 0.00282 -0.00444 188 23 H 1S -0.00693 -0.00619 -0.00336 0.00131 -0.00539 189 2S -0.02059 -0.01249 -0.01547 0.00145 -0.01641 76 77 78 79 80 76 4XX 0.00104 77 4YY -0.00033 0.00294 78 4ZZ 0.00002 -0.00023 0.00079 79 4XY 0.00037 0.00030 -0.00034 0.00161 80 4XZ -0.00009 0.00005 -0.00011 -0.00008 0.00045 81 4YZ 0.00023 -0.00015 -0.00019 -0.00006 0.00028 82 9 H 1S 0.00638 -0.00047 -0.00215 -0.00191 -0.00194 83 2S 0.00588 -0.00281 -0.00286 0.00179 -0.00098 84 10 C 1S -0.00008 -0.00033 -0.00035 -0.00003 -0.00017 85 2S -0.00055 -0.00005 0.00000 0.00064 -0.00006 86 2PX 0.00230 0.00141 0.00131 -0.00059 0.00018 87 2PY -0.00019 -0.00003 -0.00039 -0.00017 0.00001 88 2PZ 0.00099 0.00070 0.00115 0.00032 -0.00009 89 3S 0.00069 -0.00216 -0.00044 -0.00004 0.00101 90 3PX 0.00147 0.00173 0.00103 -0.00020 -0.00032 91 3PY 0.00013 0.00044 -0.00032 -0.00066 0.00012 92 3PZ 0.00155 0.00006 0.00067 0.00002 0.00034 93 4XX 0.00013 0.00000 -0.00012 -0.00009 0.00002 94 4YY -0.00005 0.00002 0.00001 0.00007 -0.00001 95 4ZZ -0.00002 0.00003 0.00007 0.00009 -0.00003 96 4XY 0.00009 0.00000 -0.00009 -0.00006 0.00001 97 4XZ 0.00000 0.00002 -0.00001 0.00000 -0.00002 98 4YZ 0.00014 0.00005 -0.00008 -0.00010 0.00002 99 11 C 1S 0.00025 0.00041 0.00077 0.00030 -0.00009 100 2S -0.00022 0.00028 -0.00013 -0.00069 0.00043 101 2PX -0.00249 -0.00014 0.00221 0.00263 -0.00077 102 2PY 0.00102 -0.00053 -0.00025 -0.00048 0.00003 103 2PZ -0.00083 0.00077 0.00242 0.00036 -0.00006 104 3S -0.00102 0.00234 0.00015 -0.00188 -0.00061 105 3PX -0.00167 0.00115 0.00190 0.00172 -0.00059 106 3PY -0.00027 0.00012 0.00022 -0.00110 -0.00050 107 3PZ -0.00090 -0.00071 0.00145 0.00119 -0.00008 108 4XX 0.00033 -0.00001 -0.00001 0.00010 0.00002 109 4YY -0.00011 0.00002 -0.00003 0.00001 0.00003 110 4ZZ -0.00007 -0.00005 -0.00002 -0.00005 0.00000 111 4XY -0.00008 0.00002 0.00004 0.00003 -0.00003 112 4XZ 0.00020 -0.00001 -0.00007 -0.00002 -0.00005 113 4YZ 0.00001 0.00004 0.00006 -0.00002 0.00000 114 12 C 1S 0.00046 0.00040 0.00021 0.00008 -0.00030 115 2S -0.00072 -0.00041 0.00056 -0.00060 0.00048 116 2PX 0.00019 0.00023 -0.00142 0.00078 -0.00179 117 2PY 0.00039 -0.00003 -0.00010 0.00045 -0.00033 118 2PZ 0.00000 -0.00064 -0.00159 0.00066 -0.00045 119 3S -0.00045 0.00149 -0.00030 -0.00034 0.00070 120 3PX 0.00034 -0.00081 -0.00048 0.00029 -0.00073 121 3PY 0.00079 -0.00051 -0.00047 0.00084 0.00010 122 3PZ -0.00089 0.00055 -0.00017 -0.00070 -0.00054 123 4XX -0.00003 -0.00002 0.00005 0.00005 0.00003 124 4YY -0.00008 -0.00001 0.00006 0.00001 -0.00002 125 4ZZ 0.00010 0.00000 -0.00010 -0.00010 -0.00001 126 4XY -0.00001 -0.00003 0.00003 -0.00004 0.00007 127 4XZ 0.00016 0.00000 -0.00024 0.00003 -0.00005 128 4YZ 0.00002 0.00004 0.00005 -0.00002 0.00001 129 13 C 1S 0.00039 0.00020 0.00013 -0.00012 0.00004 130 2S -0.00038 -0.00039 0.00007 0.00032 -0.00003 131 2PX -0.00086 0.00015 0.00014 0.00016 -0.00017 132 2PY -0.00007 -0.00010 -0.00042 -0.00007 0.00007 133 2PZ 0.00102 0.00069 -0.00005 -0.00049 0.00004 134 3S -0.00093 -0.00005 0.00064 0.00066 -0.00026 135 3PX -0.00070 0.00042 0.00017 0.00030 -0.00021 136 3PY 0.00017 -0.00011 -0.00045 0.00028 0.00025 137 3PZ 0.00061 0.00010 0.00006 -0.00015 0.00019 138 4XX 0.00007 0.00001 -0.00005 -0.00001 0.00001 139 4YY -0.00005 -0.00003 0.00001 -0.00001 0.00001 140 4ZZ -0.00002 0.00003 0.00004 -0.00001 -0.00001 141 4XY -0.00004 0.00000 0.00004 -0.00002 0.00005 142 4XZ 0.00003 0.00006 0.00004 -0.00002 -0.00001 143 4YZ 0.00003 0.00005 0.00005 -0.00005 0.00001 144 14 C 1S 0.00014 -0.00035 -0.00059 0.00006 0.00001 145 2S -0.00070 0.00001 0.00049 0.00032 -0.00012 146 2PX 0.00054 -0.00039 -0.00162 0.00007 0.00024 147 2PY 0.00032 -0.00001 -0.00047 0.00005 0.00009 148 2PZ -0.00035 -0.00100 -0.00143 0.00023 0.00015 149 3S -0.00027 -0.00009 0.00113 -0.00078 0.00042 150 3PX 0.00061 -0.00059 -0.00155 0.00003 0.00039 151 3PY -0.00014 0.00005 -0.00034 0.00066 -0.00024 152 3PZ -0.00022 -0.00109 -0.00116 0.00012 0.00009 153 4XX 0.00027 0.00006 -0.00011 -0.00012 0.00002 154 4YY -0.00002 -0.00002 -0.00001 0.00005 -0.00001 155 4ZZ -0.00012 -0.00004 0.00003 0.00008 -0.00002 156 4XY 0.00002 -0.00003 -0.00002 -0.00001 0.00000 157 4XZ 0.00009 0.00004 -0.00003 -0.00007 0.00001 158 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00000 159 15 C 1S 0.00009 0.00004 0.00015 -0.00003 -0.00002 160 2S -0.00010 0.00005 -0.00011 0.00009 0.00004 161 2PX 0.00275 0.00045 -0.00128 -0.00141 0.00041 162 2PY 0.00069 0.00012 0.00009 -0.00026 0.00002 163 2PZ 0.00236 0.00073 -0.00097 -0.00123 0.00035 164 3S -0.00049 0.00033 -0.00011 0.00099 -0.00059 165 3PX 0.00242 0.00017 -0.00105 -0.00170 0.00058 166 3PY 0.00064 -0.00018 -0.00029 -0.00061 0.00016 167 3PZ 0.00161 0.00088 -0.00081 -0.00084 0.00001 168 4XX 0.00002 0.00002 0.00007 -0.00003 -0.00001 169 4YY -0.00002 -0.00002 -0.00002 0.00003 0.00000 170 4ZZ -0.00001 -0.00004 -0.00003 0.00003 0.00000 171 4XY -0.00007 -0.00007 -0.00009 0.00002 -0.00001 172 4XZ 0.00002 0.00000 -0.00001 -0.00002 0.00001 173 4YZ -0.00004 -0.00003 -0.00008 -0.00001 0.00001 174 16 H 1S 0.00029 0.00012 0.00003 -0.00020 0.00012 175 2S 0.00063 0.00018 -0.00002 -0.00051 0.00021 176 17 H 1S -0.00077 0.00045 -0.00011 -0.00008 0.00013 177 2S -0.00088 -0.00030 0.00018 0.00009 -0.00014 178 18 H 1S -0.00054 -0.00055 0.00098 -0.00014 0.00117 179 2S 0.00006 -0.00277 0.00099 0.00087 0.00114 180 19 H 1S 0.00050 -0.00015 -0.00026 -0.00004 0.00001 181 2S 0.00018 0.00006 -0.00050 -0.00018 -0.00031 182 20 H 1S -0.00014 0.00004 0.00006 0.00017 0.00000 183 2S 0.00008 -0.00003 -0.00024 -0.00002 0.00006 184 21 H 1S -0.00010 -0.00015 0.00007 0.00012 -0.00005 185 2S -0.00029 0.00000 0.00022 0.00030 -0.00015 186 22 H 1S 0.00021 -0.00032 -0.00157 0.00023 -0.00065 187 2S 0.00130 -0.00042 -0.00217 0.00037 -0.00047 188 23 H 1S 0.00001 0.00039 0.00029 -0.00021 0.00001 189 2S 0.00042 0.00062 0.00048 -0.00079 0.00008 81 82 83 84 85 81 4YZ 0.00151 82 9 H 1S 0.00018 0.22350 83 2S 0.00080 0.17401 0.16576 84 10 C 1S -0.00007 -0.00094 -0.00199 2.05271 85 2S -0.00021 0.00273 0.00548 -0.06213 0.32497 86 2PX 0.00132 -0.00762 -0.01681 -0.00132 -0.00227 87 2PY -0.00016 0.00022 0.00112 0.00053 0.00162 88 2PZ 0.00089 -0.00252 -0.00553 -0.00083 0.00776 89 3S 0.00163 0.01086 0.01789 -0.16066 0.24763 90 3PX 0.00030 -0.00926 -0.01855 -0.00664 0.02275 91 3PY -0.00037 -0.00201 -0.00260 0.00378 -0.01619 92 3PZ 0.00150 -0.00085 -0.00355 0.00495 -0.01463 93 4XX -0.00002 -0.00050 -0.00101 -0.01431 -0.00947 94 4YY 0.00000 0.00037 0.00070 -0.01699 -0.00308 95 4ZZ 0.00006 0.00047 0.00082 -0.01612 -0.00534 96 4XY -0.00002 -0.00021 -0.00047 0.00088 -0.00123 97 4XZ -0.00001 -0.00017 -0.00026 0.00455 -0.00945 98 4YZ -0.00002 -0.00044 -0.00086 -0.00203 0.00342 99 11 C 1S 0.00035 0.00142 0.00191 0.01789 -0.03603 100 2S -0.00059 -0.00087 -0.00083 -0.03385 0.06177 101 2PX 0.00104 0.01077 0.02158 -0.05511 0.11742 102 2PY 0.00015 -0.00153 -0.00370 -0.03913 0.07561 103 2PZ 0.00079 0.00282 0.00567 0.04363 -0.08978 104 3S -0.00342 -0.01831 -0.02964 -0.00917 0.03349 105 3PX 0.00027 0.00439 0.00963 -0.01229 0.03506 106 3PY -0.00176 -0.01005 -0.01782 -0.00985 0.02577 107 3PZ 0.00115 0.00826 0.01473 0.00436 -0.01207 108 4XX 0.00021 0.00012 -0.00027 -0.00196 0.00316 109 4YY -0.00004 0.00009 0.00042 0.00152 -0.00337 110 4ZZ 0.00000 0.00020 0.00041 0.00017 -0.00118 111 4XY -0.00003 0.00012 0.00035 -0.00334 0.00666 112 4XZ 0.00017 -0.00031 -0.00087 0.00414 -0.00765 113 4YZ 0.00002 0.00004 0.00012 0.00299 -0.00600 114 12 C 1S 0.00031 -0.00148 -0.00290 -0.00300 0.00562 115 2S -0.00067 0.00242 0.00563 0.00650 -0.01505 116 2PX 0.00146 -0.00373 -0.00934 0.00840 -0.02187 117 2PY 0.00046 0.00104 0.00523 -0.00130 0.00315 118 2PZ -0.00005 0.00045 -0.00186 -0.01208 0.03133 119 3S -0.00142 0.00556 0.00908 0.00759 -0.01648 120 3PX 0.00148 -0.00050 -0.00122 0.00455 -0.00904 121 3PY 0.00139 0.00113 0.00426 -0.00410 0.00869 122 3PZ -0.00193 -0.00515 -0.01008 -0.00802 0.01865 123 4XX 0.00000 0.00001 0.00015 -0.00114 0.00235 124 4YY -0.00001 0.00012 0.00038 0.00068 -0.00152 125 4ZZ -0.00001 -0.00060 -0.00132 -0.00030 0.00016 126 4XY -0.00006 0.00026 0.00035 -0.00025 0.00073 127 4XZ 0.00007 -0.00048 -0.00118 0.00130 -0.00292 128 4YZ 0.00002 0.00012 0.00027 0.00054 -0.00141 129 13 C 1S -0.00012 -0.00148 -0.00291 -0.00267 0.00503 130 2S 0.00005 0.00243 0.00563 0.00480 -0.00884 131 2PX 0.00007 -0.00373 -0.00933 0.00207 -0.00443 132 2PY -0.00019 -0.00104 -0.00522 -0.00389 0.00856 133 2PZ 0.00002 0.00045 -0.00187 -0.00787 0.01255 134 3S 0.00011 0.00560 0.00917 0.01325 -0.02296 135 3PX -0.00039 -0.00050 -0.00121 0.00105 -0.00171 136 3PY 0.00016 -0.00113 -0.00426 -0.00348 0.00737 137 3PZ 0.00026 -0.00515 -0.01010 -0.00485 0.00736 138 4XX 0.00000 0.00001 0.00014 -0.00029 0.00034 139 4YY -0.00005 0.00012 0.00038 -0.00010 0.00025 140 4ZZ 0.00000 -0.00060 -0.00132 0.00024 -0.00042 141 4XY -0.00005 -0.00026 -0.00035 -0.00007 0.00035 142 4XZ 0.00002 -0.00048 -0.00118 -0.00019 0.00044 143 4YZ -0.00001 -0.00011 -0.00027 0.00019 -0.00081 144 14 C 1S 0.00000 0.00143 0.00191 -0.00340 0.00831 145 2S 0.00005 -0.00087 -0.00083 0.00823 -0.01879 146 2PX -0.00046 0.01077 0.02157 0.00833 -0.02657 147 2PY -0.00022 0.00153 0.00370 -0.01166 0.02673 148 2PZ -0.00047 0.00282 0.00565 -0.00447 0.01371 149 3S 0.00012 -0.01838 -0.02977 0.00597 -0.02040 150 3PX -0.00021 0.00434 0.00954 0.00437 -0.01396 151 3PY 0.00012 0.01008 0.01789 -0.00283 0.01068 152 3PZ -0.00030 0.00829 0.01475 -0.00411 0.00853 153 4XX 0.00002 0.00012 -0.00027 0.00055 -0.00122 154 4YY 0.00000 0.00009 0.00042 -0.00184 0.00439 155 4ZZ 0.00004 0.00020 0.00042 0.00071 -0.00115 156 4XY -0.00001 -0.00012 -0.00035 0.00100 -0.00186 157 4XZ 0.00002 -0.00031 -0.00087 -0.00063 0.00122 158 4YZ -0.00002 -0.00004 -0.00013 -0.00076 0.00146 159 15 C 1S 0.00002 -0.00095 -0.00200 0.01672 -0.03254 160 2S -0.00009 0.00273 0.00547 -0.03254 0.05577 161 2PX -0.00003 -0.00764 -0.01687 -0.00482 0.01034 162 2PY 0.00013 -0.00023 -0.00112 0.07797 -0.16058 163 2PZ -0.00002 -0.00254 -0.00557 -0.00353 0.00077 164 3S -0.00005 0.01094 0.01805 -0.00468 0.03452 165 3PX -0.00005 -0.00934 -0.01869 -0.00094 -0.00533 166 3PY -0.00005 0.00199 0.00255 0.01401 -0.04351 167 3PZ -0.00032 -0.00084 -0.00354 -0.00370 0.00935 168 4XX 0.00003 -0.00050 -0.00101 0.00249 -0.00553 169 4YY -0.00002 0.00037 0.00070 -0.00695 0.01218 170 4ZZ 0.00000 0.00047 0.00082 0.00269 -0.00612 171 4XY -0.00006 0.00021 0.00047 0.00016 0.00020 172 4XZ 0.00000 -0.00017 -0.00027 -0.00058 0.00150 173 4YZ -0.00005 0.00044 0.00086 -0.00019 -0.00008 174 16 H 1S 0.00002 -0.00069 -0.00181 -0.06015 0.11224 175 2S 0.00026 -0.00123 -0.00268 -0.01303 0.02495 176 17 H 1S -0.00054 -0.00049 0.00055 0.01211 -0.02454 177 2S -0.00048 -0.00051 0.00037 0.01362 -0.02472 178 18 H 1S -0.00064 0.00266 0.00703 -0.00759 0.01927 179 2S 0.00220 0.00728 0.01621 -0.01116 0.02903 180 19 H 1S -0.00004 0.00266 0.00702 -0.00059 0.00017 181 2S -0.00058 0.00726 0.01617 -0.00092 -0.00024 182 20 H 1S -0.00008 -0.00050 0.00055 -0.00849 0.01865 183 2S -0.00028 -0.00052 0.00034 -0.01195 0.02528 184 21 H 1S 0.00001 -0.00069 -0.00180 0.01228 -0.02561 185 2S 0.00001 -0.00121 -0.00265 0.01464 -0.02567 186 22 H 1S 0.00028 -0.00241 -0.00705 0.00157 -0.00345 187 2S 0.00097 -0.00500 -0.01207 0.00141 -0.00403 188 23 H 1S 0.00001 -0.00241 -0.00705 -0.00137 0.00184 189 2S -0.00007 -0.00501 -0.01207 -0.00228 0.00336 86 87 88 89 90 86 2PX 0.36895 87 2PY -0.00010 0.41338 88 2PZ -0.03335 -0.00266 0.39021 89 3S 0.01951 0.01126 -0.02945 0.25001 90 3PX 0.18139 -0.01275 0.07516 0.00533 0.11994 91 3PY -0.01324 0.13841 -0.02575 0.00773 -0.02131 92 3PZ 0.05966 -0.00571 0.16785 -0.01274 0.06572 93 4XX -0.00800 -0.00592 -0.00346 -0.00561 -0.00526 94 4YY 0.00425 0.01307 -0.00037 -0.00313 0.00157 95 4ZZ 0.00691 -0.01026 -0.00258 -0.00245 0.00264 96 4XY -0.00498 -0.00027 0.01074 -0.00261 0.00016 97 4XZ -0.00069 0.00920 0.00221 -0.00814 -0.00040 98 4YZ 0.00948 -0.00192 -0.01031 0.00706 0.00159 99 11 C 1S 0.05987 0.03628 -0.04302 0.01165 0.00738 100 2S -0.12158 -0.07549 0.08350 0.01684 -0.03360 101 2PX 0.00738 -0.13538 0.24246 0.04568 0.07543 102 2PY -0.13800 -0.05099 0.06417 0.10489 -0.06149 103 2PZ 0.21163 0.08023 -0.01509 -0.05010 0.08995 104 3S -0.13100 -0.05015 0.09085 -0.02622 -0.02877 105 3PX 0.04986 -0.06236 0.12898 -0.00789 0.06578 106 3PY -0.05364 -0.00548 0.02379 0.01886 -0.01765 107 3PZ 0.09570 0.03271 0.02882 -0.00663 0.05090 108 4XX 0.01090 -0.00514 0.00698 0.00430 0.00751 109 4YY 0.00152 0.01234 -0.00142 -0.00596 0.00072 110 4ZZ -0.00180 -0.00099 -0.01328 0.00226 -0.00471 111 4XY -0.00345 0.00257 0.00807 0.00402 0.00043 112 4XZ 0.00319 0.00662 -0.00046 -0.00597 0.00114 113 4YZ 0.00807 -0.00164 -0.00179 -0.00438 0.00323 114 12 C 1S -0.00514 -0.00156 0.01145 0.00522 -0.00086 115 2S 0.01444 0.00595 -0.02805 -0.00899 -0.00032 116 2PX -0.00069 0.01090 -0.03290 -0.02767 -0.00839 117 2PY -0.00225 0.00421 0.00686 -0.00920 0.00779 118 2PZ -0.04903 -0.00707 0.02309 0.00217 -0.01026 119 3S -0.00173 -0.01090 -0.07809 0.01671 -0.02529 120 3PX -0.00128 0.00744 -0.01499 -0.00631 -0.00641 121 3PY -0.00732 0.00447 0.02094 0.01090 0.00283 122 3PZ -0.04075 0.00835 0.02266 -0.00607 -0.00784 123 4XX 0.00087 -0.00219 0.00526 0.00156 0.00186 124 4YY 0.00309 0.00171 -0.00200 -0.00276 0.00146 125 4ZZ -0.00630 -0.00095 -0.00133 0.00089 -0.00368 126 4XY -0.00134 0.00012 -0.00010 0.00125 -0.00085 127 4XZ -0.00157 0.00304 -0.00927 -0.00203 -0.00285 128 4YZ 0.00385 0.00173 -0.00057 0.00073 0.00129 129 13 C 1S -0.00128 0.00374 0.00578 0.01090 -0.00010 130 2S -0.00214 -0.00680 -0.01509 -0.02106 -0.00216 131 2PX -0.00673 -0.00761 -0.00881 -0.01307 -0.00579 132 2PY -0.02850 -0.01165 0.00379 0.01901 -0.01994 133 2PZ 0.01130 0.02365 0.02040 0.07874 -0.00223 134 3S 0.02357 -0.03011 -0.00949 -0.06109 0.01894 135 3PX -0.00050 -0.00181 -0.00164 -0.00818 -0.00074 136 3PY -0.02763 -0.00896 -0.00192 0.01687 -0.01749 137 3PZ 0.00609 0.02430 0.00451 0.04100 -0.00215 138 4XX 0.00037 -0.00022 0.00077 0.00343 -0.00066 139 4YY -0.00061 0.00192 -0.00177 0.00111 -0.00062 140 4ZZ -0.00010 -0.00197 0.00058 -0.00283 0.00075 141 4XY -0.00023 -0.00100 0.00058 0.00078 -0.00013 142 4XZ 0.00101 0.00088 0.00064 0.00001 0.00164 143 4YZ 0.00128 0.00015 -0.00009 0.00128 -0.00001 144 14 C 1S -0.00083 0.01223 0.00587 -0.00303 0.00672 145 2S 0.00176 -0.03289 -0.01502 -0.01977 -0.00621 146 2PX -0.00636 -0.03170 -0.02712 0.05026 -0.04985 147 2PY -0.00246 0.03370 0.00712 0.09135 -0.00088 148 2PZ -0.02038 0.01506 -0.00548 -0.01047 -0.00959 149 3S 0.03768 -0.02411 -0.04548 -0.00894 0.00718 150 3PX -0.00484 -0.01849 -0.03618 0.03718 -0.03348 151 3PY -0.00146 -0.00566 0.01117 0.02368 0.00139 152 3PZ -0.03957 0.02542 -0.01411 0.01299 -0.03086 153 4XX 0.00655 -0.00245 0.00490 -0.00039 0.00409 154 4YY -0.00164 0.00977 0.00044 0.00672 -0.00057 155 4ZZ -0.00388 -0.00241 -0.00350 -0.00419 -0.00209 156 4XY -0.00105 -0.00570 -0.00147 -0.00341 0.00024 157 4XZ 0.00247 0.00137 0.00179 0.00158 0.00231 158 4YZ -0.00231 0.00453 -0.00110 0.00238 -0.00190 159 15 C 1S -0.00476 -0.07796 -0.00366 -0.00467 -0.00094 160 2S 0.01022 0.16057 0.00105 0.03449 -0.00532 161 2PX 0.11574 0.00864 0.08831 0.00801 0.08530 162 2PY -0.00835 -0.31237 -0.00065 -0.12663 -0.01481 163 2PZ 0.08835 0.00015 0.08701 0.05745 0.03722 164 3S 0.00795 0.12657 0.05763 -0.01750 0.01592 165 3PX 0.08532 0.01493 0.03724 0.01591 0.04727 166 3PY -0.01546 -0.09114 -0.01202 -0.01406 -0.01985 167 3PZ 0.04786 -0.01865 0.07387 0.02529 0.03340 168 4XX -0.00009 -0.00873 -0.00018 -0.00630 0.00087 169 4YY -0.00110 0.00581 0.00052 0.01204 0.00009 170 4ZZ -0.00091 -0.00925 -0.00157 -0.00574 -0.00114 171 4XY -0.01297 0.00144 -0.00017 -0.00227 -0.00623 172 4XZ 0.00060 0.00312 -0.00042 0.00358 0.00029 173 4YZ 0.00005 0.00024 -0.01358 0.00430 -0.00435 174 16 H 1S 0.13269 -0.13056 -0.18760 0.11508 0.03244 175 2S 0.12156 -0.11767 -0.18095 0.05422 0.01791 176 17 H 1S 0.02452 0.03578 -0.01200 -0.06199 0.01711 177 2S 0.04775 0.07147 -0.01043 -0.05921 0.02893 178 18 H 1S -0.00229 -0.01535 0.03244 0.01768 0.00672 179 2S 0.00210 -0.02109 0.07094 0.02298 0.01673 180 19 H 1S -0.00192 0.00229 -0.00059 0.01949 -0.00704 181 2S -0.00529 0.00697 -0.00755 0.02801 -0.01612 182 20 H 1S -0.00149 0.03520 0.00132 0.05610 -0.00091 183 2S -0.01063 0.06877 0.00308 0.06423 -0.00670 184 21 H 1S -0.01874 -0.04296 0.01315 -0.06040 0.00249 185 2S -0.03386 -0.08637 0.03928 -0.06761 0.00572 186 22 H 1S -0.02937 0.00309 -0.02864 -0.01227 -0.01938 187 2S -0.02938 -0.00014 -0.02535 -0.01118 -0.01795 188 23 H 1S 0.00283 -0.00018 0.00655 0.02057 -0.00051 189 2S 0.01501 -0.00380 0.01955 0.01850 0.01191 91 92 93 94 95 91 3PY 0.06235 92 3PZ -0.01393 0.09323 93 4XX 0.00007 -0.00248 0.00092 94 4YY 0.00297 0.00080 -0.00023 0.00114 95 4ZZ -0.00301 0.00046 0.00022 -0.00020 0.00089 96 4XY 0.00037 0.00330 0.00019 0.00000 -0.00032 97 4XZ 0.00260 0.00112 0.00007 0.00048 -0.00026 98 4YZ 0.00073 -0.00212 0.00003 -0.00015 0.00011 99 11 C 1S 0.00605 0.00474 -0.00160 0.00117 -0.00024 100 2S -0.00952 0.00617 0.00277 -0.00342 0.00007 101 2PX -0.09240 0.09979 -0.00837 -0.00217 0.00219 102 2PY 0.00958 0.00565 0.00424 -0.01332 0.00189 103 2PZ 0.03207 0.03879 -0.00520 0.00244 0.01018 104 3S -0.00110 0.00205 0.00394 -0.00285 -0.00162 105 3PX -0.05179 0.06086 -0.00569 0.00026 0.00269 106 3PY 0.00216 -0.00262 0.00159 -0.00408 -0.00056 107 3PZ -0.00023 0.03336 -0.00483 0.00198 0.00448 108 4XX -0.00330 0.00591 -0.00025 -0.00020 0.00012 109 4YY 0.00312 -0.00082 -0.00024 0.00096 -0.00047 110 4ZZ 0.00133 -0.00632 0.00025 -0.00038 0.00030 111 4XY -0.00007 0.00233 -0.00028 0.00009 -0.00028 112 4XZ 0.00283 0.00064 0.00009 0.00031 -0.00010 113 4YZ 0.00034 0.00096 0.00001 0.00002 0.00044 114 12 C 1S -0.00404 0.00805 -0.00047 0.00081 -0.00156 115 2S 0.00850 -0.01521 0.00036 -0.00158 0.00302 116 2PX 0.02939 -0.02847 0.00027 -0.00138 0.00378 117 2PY 0.00651 0.00235 -0.00009 0.00124 -0.00209 118 2PZ -0.03195 -0.00734 -0.00134 0.00398 -0.00733 119 3S 0.02143 -0.03847 0.00277 -0.00436 0.00350 120 3PX 0.01541 -0.01190 0.00006 -0.00070 0.00170 121 3PY 0.00709 0.00932 0.00007 -0.00008 -0.00118 122 3PZ -0.01121 -0.00483 -0.00042 0.00204 -0.00435 123 4XX -0.00297 0.00260 -0.00019 0.00007 -0.00013 124 4YY -0.00003 -0.00033 -0.00015 0.00035 -0.00005 125 4ZZ 0.00189 -0.00192 0.00036 -0.00033 0.00002 126 4XY -0.00104 0.00038 0.00004 -0.00002 -0.00015 127 4XZ 0.00235 -0.00493 0.00027 0.00010 -0.00019 128 4YZ 0.00182 0.00128 -0.00005 0.00011 0.00019 129 13 C 1S 0.00348 0.00343 0.00000 -0.00020 -0.00037 130 2S -0.00597 -0.00990 0.00002 0.00036 0.00057 131 2PX -0.01724 -0.00098 -0.00032 -0.00065 0.00085 132 2PY -0.00712 -0.00333 0.00082 -0.00190 0.00047 133 2PZ 0.02445 0.03400 -0.00066 0.00058 -0.00074 134 3S -0.02943 -0.00439 -0.00152 0.00206 0.00193 135 3PX -0.00911 0.00004 -0.00053 0.00004 0.00043 136 3PY -0.00057 -0.00541 0.00108 -0.00223 0.00055 137 3PZ 0.01697 0.01557 -0.00033 0.00056 -0.00068 138 4XX 0.00108 0.00115 0.00006 0.00000 -0.00005 139 4YY 0.00183 -0.00139 0.00004 -0.00008 0.00000 140 4ZZ -0.00254 0.00032 -0.00006 0.00004 0.00005 141 4XY -0.00123 0.00081 0.00002 -0.00002 -0.00008 142 4XZ -0.00060 0.00082 -0.00009 -0.00005 0.00005 143 4YZ 0.00086 0.00131 0.00003 -0.00008 0.00019 144 14 C 1S 0.00510 -0.00511 0.00018 -0.00096 -0.00025 145 2S -0.01886 -0.00130 -0.00040 0.00213 0.00080 146 2PX 0.02115 0.00970 0.00314 0.00146 -0.00073 147 2PY 0.05079 -0.00100 0.00095 -0.00420 -0.00076 148 2PZ 0.00771 -0.02947 0.00187 -0.00324 -0.00147 149 3S -0.01227 -0.00388 0.00002 0.00134 0.00112 150 3PX 0.01956 -0.00649 0.00305 -0.00080 -0.00046 151 3PY 0.00589 0.00065 -0.00038 -0.00087 0.00001 152 3PZ 0.01854 -0.02247 0.00162 -0.00086 -0.00207 153 4XX -0.00039 0.00388 0.00008 0.00005 -0.00004 154 4YY 0.00498 -0.00061 -0.00015 -0.00003 -0.00027 155 4ZZ -0.00246 -0.00267 0.00001 -0.00001 0.00015 156 4XY -0.00201 -0.00151 0.00021 -0.00031 0.00018 157 4XZ 0.00038 0.00107 -0.00001 -0.00021 -0.00003 158 4YZ 0.00140 -0.00022 -0.00008 0.00023 -0.00018 159 15 C 1S -0.01399 -0.00373 0.00249 -0.00695 0.00269 160 2S 0.04346 0.00944 -0.00552 0.01218 -0.00612 161 2PX 0.01558 0.04782 -0.00012 -0.00107 -0.00092 162 2PY -0.09114 0.01846 0.00872 -0.00580 0.00926 163 2PZ 0.01181 0.07395 -0.00016 0.00048 -0.00152 164 3S 0.01401 0.02529 -0.00631 0.01206 -0.00575 165 3PX 0.01989 0.03344 0.00086 0.00009 -0.00114 166 3PY -0.01363 0.00056 0.00383 -0.00269 0.00260 167 3PZ -0.00060 0.04480 0.00016 -0.00090 -0.00105 168 4XX -0.00383 0.00015 0.00022 -0.00029 0.00036 169 4YY 0.00269 -0.00089 -0.00029 -0.00016 -0.00028 170 4ZZ -0.00259 -0.00106 0.00036 -0.00028 0.00033 171 4XY 0.00083 -0.00341 0.00031 -0.00013 -0.00028 172 4XZ 0.00185 -0.00022 0.00000 -0.00023 -0.00005 173 4YZ 0.00193 -0.00545 0.00020 -0.00009 0.00003 174 16 H 1S -0.03905 -0.05975 -0.00192 -0.00409 0.00552 175 2S -0.02553 -0.05145 0.00070 -0.00364 0.00648 176 17 H 1S 0.00231 -0.00667 -0.00145 0.00807 -0.00274 177 2S 0.00595 -0.00121 -0.00307 0.00889 -0.00330 178 18 H 1S -0.02875 0.01865 -0.00090 0.00034 -0.00156 179 2S -0.03784 0.03875 -0.00253 0.00078 -0.00124 180 19 H 1S 0.01406 0.00041 0.00055 0.00013 -0.00008 181 2S 0.02151 -0.00391 0.00080 0.00005 -0.00012 182 20 H 1S 0.03258 -0.00067 -0.00029 -0.00127 -0.00082 183 2S 0.04801 -0.00208 -0.00007 -0.00118 -0.00193 184 21 H 1S -0.01988 -0.00282 0.00081 0.00187 0.00079 185 2S -0.03822 0.00220 0.00160 -0.00149 0.00191 186 22 H 1S 0.00436 -0.03018 0.00081 -0.00014 -0.00072 187 2S 0.00457 -0.02565 0.00164 -0.00013 -0.00169 188 23 H 1S -0.00489 0.01532 -0.00054 -0.00031 0.00069 189 2S -0.00768 0.02316 -0.00055 -0.00064 0.00071 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00017 0.00067 98 4YZ -0.00042 -0.00028 0.00117 99 11 C 1S -0.00374 0.00329 0.00332 2.05498 100 2S 0.00672 -0.00636 -0.00627 -0.06133 0.32634 101 2PX 0.00235 -0.00295 -0.00858 -0.00315 0.00482 102 2PY -0.00161 -0.00725 0.00160 0.00191 0.00377 103 2PZ -0.00839 -0.00074 0.00096 0.00214 0.00093 104 3S 0.00854 -0.00401 -0.00762 -0.19776 0.29063 105 3PX -0.00002 -0.00054 -0.00549 0.00757 -0.01602 106 3PY -0.00026 -0.00162 0.00012 -0.00757 -0.00823 107 3PZ -0.00455 -0.00042 -0.00163 0.00296 -0.00461 108 4XX -0.00005 -0.00004 0.00034 -0.01132 -0.01297 109 4YY 0.00024 0.00056 -0.00029 -0.01838 0.00158 110 4ZZ -0.00056 -0.00018 0.00043 -0.01398 -0.00730 111 4XY 0.00027 -0.00003 -0.00026 -0.00161 0.00345 112 4XZ 0.00010 0.00045 0.00003 0.00249 -0.00560 113 4YZ -0.00010 -0.00005 0.00013 -0.00081 0.00154 114 12 C 1S 0.00079 0.00073 -0.00027 0.01252 -0.02297 115 2S -0.00173 -0.00157 0.00069 -0.02336 0.03914 116 2PX -0.00102 -0.00130 0.00014 -0.01712 0.03382 117 2PY 0.00249 0.00115 0.00024 0.02344 -0.04856 118 2PZ 0.00401 0.00608 -0.00073 0.06433 -0.13744 119 3S -0.00171 -0.00279 0.00356 0.00257 0.02397 120 3PX -0.00039 -0.00060 0.00016 -0.00271 0.01331 121 3PY 0.00209 0.00025 -0.00023 0.00570 -0.01143 122 3PZ 0.00270 0.00305 -0.00127 0.01310 -0.04404 123 4XX 0.00005 0.00013 -0.00012 0.00196 -0.00450 124 4YY 0.00000 0.00017 -0.00008 0.00081 -0.00224 125 4ZZ 0.00010 -0.00024 0.00004 -0.00457 0.00848 126 4XY 0.00001 0.00004 0.00002 0.00115 -0.00204 127 4XZ 0.00001 0.00023 0.00032 0.00265 -0.00525 128 4YZ -0.00008 -0.00012 -0.00005 -0.00409 0.00766 129 13 C 1S -0.00004 -0.00009 0.00021 -0.00202 0.00420 130 2S 0.00040 0.00017 -0.00066 0.00459 -0.00918 131 2PX -0.00037 -0.00005 -0.00122 0.00180 -0.00338 132 2PY -0.00034 -0.00073 -0.00083 -0.01024 0.02611 133 2PZ -0.00159 0.00000 0.00019 -0.00337 0.01376 134 3S -0.00050 0.00079 -0.00336 -0.00081 -0.01381 135 3PX -0.00021 0.00014 -0.00073 -0.00043 -0.00408 136 3PY -0.00015 -0.00102 -0.00067 -0.00686 0.01928 137 3PZ -0.00145 0.00002 0.00060 0.00015 0.00718 138 4XX 0.00006 -0.00003 0.00020 -0.00043 0.00104 139 4YY 0.00012 -0.00001 0.00000 -0.00056 0.00087 140 4ZZ -0.00026 0.00002 -0.00013 0.00017 -0.00091 141 4XY 0.00008 0.00002 0.00000 0.00034 -0.00060 142 4XZ -0.00014 0.00004 -0.00038 0.00007 -0.00013 143 4YZ -0.00027 -0.00018 0.00006 -0.00151 0.00341 144 14 C 1S 0.00180 0.00009 -0.00116 -0.00468 0.00678 145 2S -0.00376 -0.00017 0.00223 0.00678 -0.01943 146 2PX 0.00179 -0.00174 0.01077 -0.00441 0.01487 147 2PY 0.00591 -0.00001 -0.00219 -0.01024 0.02845 148 2PZ 0.00819 0.00049 0.00079 -0.00218 0.00305 149 3S -0.00564 -0.00037 0.00432 0.02824 -0.03181 150 3PX 0.00236 -0.00134 0.00703 -0.00344 0.01212 151 3PY 0.00276 0.00020 -0.00146 -0.01060 0.00749 152 3PZ 0.00457 0.00042 0.00175 -0.00233 0.00642 153 4XX 0.00039 0.00001 0.00032 -0.00045 -0.00045 154 4YY 0.00013 0.00009 -0.00012 -0.00084 0.00068 155 4ZZ -0.00015 0.00001 -0.00047 -0.00046 0.00014 156 4XY 0.00009 -0.00005 -0.00023 -0.00044 0.00070 157 4XZ 0.00008 0.00004 -0.00001 -0.00005 -0.00038 158 4YZ -0.00029 0.00004 0.00003 -0.00001 0.00005 159 15 C 1S -0.00015 -0.00058 0.00017 -0.00340 0.00823 160 2S -0.00022 0.00150 0.00012 0.00831 -0.01880 161 2PX 0.01297 0.00062 -0.00004 -0.00082 0.00171 162 2PY 0.00147 -0.00312 0.00019 -0.01225 0.03291 163 2PZ 0.00018 -0.00044 0.01359 0.00586 -0.01499 164 3S 0.00224 0.00359 -0.00426 -0.00302 -0.01978 165 3PX 0.00624 0.00029 0.00436 0.00672 -0.00624 166 3PY 0.00084 -0.00186 0.00192 -0.00509 0.01885 167 3PZ 0.00342 -0.00022 0.00546 -0.00511 -0.00130 168 4XX -0.00031 0.00000 -0.00020 0.00018 -0.00040 169 4YY 0.00013 -0.00023 0.00009 -0.00097 0.00214 170 4ZZ 0.00028 -0.00005 -0.00003 -0.00025 0.00079 171 4XY 0.00043 0.00005 -0.00050 -0.00180 0.00376 172 4XZ -0.00005 0.00004 0.00011 0.00008 -0.00016 173 4YZ -0.00050 -0.00011 0.00081 0.00116 -0.00224 174 16 H 1S -0.00785 -0.00829 0.01086 0.01338 -0.02791 175 2S -0.00773 -0.00609 0.01061 0.01888 -0.03229 176 17 H 1S 0.00410 0.00313 -0.00348 -0.05969 0.11295 177 2S 0.00214 0.00474 -0.00261 -0.01311 0.02597 178 18 H 1S 0.00015 0.00073 -0.00083 0.00809 -0.01963 179 2S 0.00045 0.00081 -0.00266 0.01421 -0.02687 180 19 H 1S 0.00000 -0.00035 0.00131 -0.00422 0.01110 181 2S 0.00028 -0.00060 0.00304 -0.00628 0.01442 182 20 H 1S 0.00167 0.00028 -0.00090 -0.00252 0.00795 183 2S 0.00249 0.00048 -0.00055 -0.00361 0.01395 184 21 H 1S 0.00512 0.00003 -0.00716 -0.00753 0.01708 185 2S 0.00529 -0.00048 -0.00783 -0.01234 0.02411 186 22 H 1S 0.00062 0.00133 0.00077 0.00809 -0.02346 187 2S 0.00142 0.00150 0.00146 0.01254 -0.02987 188 23 H 1S -0.00159 -0.00023 -0.00150 -0.00193 0.00809 189 2S -0.00180 -0.00036 -0.00143 -0.00257 0.00828 101 102 103 104 105 101 2PX 0.35439 102 2PY 0.02302 0.41152 103 2PZ -0.03997 0.00391 0.38402 104 3S -0.01217 -0.00350 -0.02805 0.30042 105 3PX 0.19643 -0.01983 0.03221 -0.02125 0.12493 106 3PY 0.00466 0.13003 -0.01762 0.00558 -0.00627 107 3PZ 0.04859 -0.01432 0.17018 -0.02576 0.05278 108 4XX 0.00888 0.00493 -0.00135 -0.01129 0.00518 109 4YY -0.00427 -0.02195 -0.00257 0.00386 -0.00113 110 4ZZ -0.00781 0.01078 0.00472 -0.00678 -0.00449 111 4XY 0.00762 -0.00003 -0.00416 0.00321 0.00320 112 4XZ -0.00452 -0.00528 0.00114 -0.00351 -0.00169 113 4YZ -0.00335 -0.00235 0.01081 0.00062 -0.00006 114 12 C 1S 0.02146 -0.02951 -0.05187 -0.00157 0.00447 115 2S -0.04305 0.05537 0.10801 0.01520 -0.01065 116 2PX 0.00045 0.02747 0.08319 0.03863 0.00009 117 2PY 0.02052 -0.03134 -0.11020 -0.03612 0.00741 118 2PZ 0.10122 -0.12184 -0.23465 -0.11063 0.03887 119 3S -0.09370 0.11170 0.08691 0.00027 -0.04855 120 3PX -0.00006 0.01602 0.03744 0.01156 -0.00166 121 3PY 0.01354 0.00271 -0.05327 -0.00985 0.00131 122 3PZ 0.04357 -0.05761 -0.11721 -0.02322 0.01622 123 4XX 0.00736 -0.00166 -0.00375 -0.00464 0.00411 124 4YY 0.00073 -0.00982 -0.00227 -0.00178 0.00125 125 4ZZ -0.00575 0.00738 0.00104 0.00861 -0.00456 126 4XY -0.00142 0.00104 -0.00361 -0.00249 -0.00118 127 4XZ -0.00784 -0.00344 -0.00573 -0.00332 -0.00506 128 4YZ -0.00392 -0.00344 0.00868 0.00611 -0.00154 129 13 C 1S -0.00310 0.00913 0.00490 0.00385 -0.00368 130 2S 0.00432 -0.01812 -0.01664 -0.00945 0.00481 131 2PX 0.00565 -0.00362 -0.00162 -0.01300 -0.00200 132 2PY -0.00238 0.03525 0.03068 0.02809 -0.00942 133 2PZ -0.00369 0.00755 0.02390 -0.00620 -0.01453 134 3S 0.04775 -0.07648 0.00214 -0.01020 0.04242 135 3PX 0.00899 -0.00860 0.00185 -0.00775 0.00409 136 3PY -0.00925 0.05185 0.01858 0.01838 -0.01155 137 3PZ -0.01329 0.00335 0.01589 -0.00338 -0.01373 138 4XX -0.00159 0.00085 -0.00002 0.00059 -0.00184 139 4YY -0.00257 0.00191 0.00052 0.00051 -0.00137 140 4ZZ 0.00294 -0.00150 0.00092 -0.00049 0.00226 141 4XY -0.00054 -0.00070 -0.00295 -0.00114 -0.00075 142 4XZ 0.00227 -0.00069 0.00231 0.00027 0.00192 143 4YZ -0.00258 0.00453 0.00723 0.00211 -0.00125 144 14 C 1S -0.00446 0.01024 -0.00219 0.02825 -0.00349 145 2S 0.01500 -0.02847 0.00307 -0.03183 0.01222 146 2PX -0.09411 0.02683 -0.03861 -0.02306 -0.08550 147 2PY -0.02693 0.03619 -0.01446 0.03177 -0.02909 148 2PZ -0.03869 0.01458 -0.06997 0.02406 -0.03410 149 3S -0.02293 -0.03188 0.02406 -0.04410 -0.00576 150 3PX -0.08557 0.02902 -0.03404 -0.00584 -0.07057 151 3PY 0.01958 -0.01164 -0.01756 0.00611 0.00676 152 3PZ -0.04464 0.01710 -0.05608 0.01060 -0.04021 153 4XX -0.00092 -0.00052 -0.00105 0.00048 -0.00075 154 4YY -0.00196 0.00122 -0.00054 0.00050 -0.00168 155 4ZZ 0.00232 -0.00074 0.00066 0.00055 0.00205 156 4XY 0.00076 0.00097 -0.00145 0.00202 0.00098 157 4XZ 0.00002 -0.00024 -0.00003 0.00018 -0.00004 158 4YZ -0.00161 0.00042 0.00128 -0.00050 -0.00116 159 15 C 1S 0.00831 0.01168 -0.00445 0.00597 0.00436 160 2S -0.02653 -0.02677 0.01367 -0.02037 -0.01393 161 2PX -0.00642 0.00246 -0.02038 0.03771 -0.00498 162 2PY 0.03167 0.03378 -0.01504 0.02421 0.01849 163 2PZ -0.02710 -0.00708 -0.00553 -0.04543 -0.03624 164 3S 0.05045 -0.09129 -0.01054 -0.00893 0.03728 165 3PX -0.04994 0.00080 -0.00964 0.00721 -0.03361 166 3PY -0.02134 0.05080 -0.00760 0.01228 -0.01965 167 3PZ 0.00963 0.00114 -0.02947 -0.00387 -0.00661 168 4XX 0.00314 -0.00096 0.00188 0.00001 0.00305 169 4YY 0.00148 0.00423 -0.00325 0.00136 -0.00078 170 4ZZ -0.00076 0.00076 -0.00147 0.00111 -0.00047 171 4XY -0.00179 0.00592 -0.00818 0.00563 -0.00236 172 4XZ -0.00173 0.00002 0.00048 -0.00036 -0.00133 173 4YZ -0.01076 -0.00219 -0.00079 -0.00433 -0.00703 174 16 H 1S -0.03269 -0.00426 0.03215 -0.05772 -0.01768 175 2S -0.07740 0.00132 0.06795 -0.05899 -0.03767 176 17 H 1S -0.02932 -0.26414 -0.02289 0.11234 -0.00495 177 2S -0.00919 -0.24492 -0.02222 0.03321 0.01111 178 18 H 1S 0.02500 -0.00181 -0.02345 -0.03205 0.01670 179 2S 0.08203 -0.01214 -0.02896 -0.04471 0.04625 180 19 H 1S -0.01223 0.01108 0.01097 0.01105 -0.00908 181 2S -0.02775 0.02015 0.01343 0.01064 -0.02203 182 20 H 1S -0.01090 0.00925 -0.00291 0.00541 -0.01176 183 2S -0.03440 0.02542 -0.00581 0.01443 -0.02820 184 21 H 1S 0.03029 0.01514 -0.01497 0.04154 0.02561 185 2S 0.06560 0.03050 -0.02982 0.04889 0.04369 186 22 H 1S 0.00303 -0.00512 -0.02614 -0.01620 -0.00410 187 2S -0.00774 -0.01026 -0.05904 -0.01437 -0.01449 188 23 H 1S 0.00892 0.00397 0.02440 -0.00363 0.00075 189 2S 0.01196 0.01242 0.03381 0.00095 0.00615 106 107 108 109 110 106 3PY 0.05320 107 3PZ -0.01516 0.09658 108 4XX 0.00166 0.00076 0.00149 109 4YY -0.00652 -0.00039 -0.00052 0.00186 110 4ZZ 0.00329 -0.00006 0.00007 -0.00073 0.00145 111 4XY 0.00012 -0.00028 0.00000 0.00013 -0.00035 112 4XZ -0.00145 -0.00063 0.00001 0.00039 -0.00006 113 4YZ -0.00164 0.00357 -0.00014 0.00011 0.00004 114 12 C 1S -0.00706 -0.00574 0.00165 0.00169 -0.00512 115 2S 0.01662 0.02431 -0.00383 -0.00347 0.00885 116 2PX 0.00296 0.01554 -0.00731 -0.00096 0.00571 117 2PY -0.01291 -0.05077 0.00064 0.00949 -0.00772 118 2PZ -0.01873 -0.09079 0.00543 0.00366 0.00067 119 3S 0.02855 -0.00065 -0.00364 -0.00685 0.01172 120 3PX -0.00036 0.00756 -0.00317 -0.00064 0.00266 121 3PY -0.00472 -0.02374 0.00081 0.00361 -0.00391 122 3PZ -0.00271 -0.04787 0.00128 0.00257 -0.00033 123 4XX 0.00008 0.00010 0.00055 -0.00029 0.00004 124 4YY -0.00342 -0.00015 -0.00011 0.00084 -0.00055 125 4ZZ 0.00229 -0.00148 -0.00043 -0.00039 0.00029 126 4XY 0.00060 -0.00104 0.00026 -0.00005 -0.00009 127 4XZ -0.00034 -0.00513 -0.00024 0.00016 0.00052 128 4YZ -0.00277 0.00415 -0.00030 0.00031 -0.00033 129 13 C 1S 0.00396 0.00182 0.00030 -0.00148 0.00048 130 2S -0.00899 -0.00700 -0.00104 0.00319 -0.00116 131 2PX -0.00019 0.00413 -0.00015 0.00054 -0.00019 132 2PY 0.01239 0.02230 0.00101 -0.00817 0.00391 133 2PZ -0.02517 0.02493 0.00235 -0.00101 0.00006 134 3S -0.02366 0.01384 -0.00084 0.00540 -0.00337 135 3PX -0.00203 0.00494 -0.00010 0.00059 -0.00022 136 3PY 0.01564 0.00893 0.00038 -0.00566 0.00313 137 3PZ -0.01144 0.01344 0.00078 0.00002 -0.00023 138 4XX -0.00079 -0.00001 0.00012 -0.00023 0.00006 139 4YY 0.00036 -0.00118 -0.00021 0.00009 0.00022 140 4ZZ 0.00066 0.00161 0.00010 -0.00009 -0.00005 141 4XY -0.00018 -0.00084 0.00020 0.00003 -0.00017 142 4XZ -0.00021 0.00236 0.00014 0.00003 -0.00008 143 4YZ 0.00038 0.00342 -0.00004 -0.00020 0.00002 144 14 C 1S 0.01063 -0.00234 -0.00045 -0.00084 -0.00046 145 2S -0.00753 0.00648 -0.00045 0.00068 0.00014 146 2PX -0.01950 -0.04463 -0.00092 -0.00196 0.00232 147 2PY -0.01165 -0.01710 0.00052 -0.00122 0.00074 148 2PZ 0.01768 -0.05611 -0.00106 -0.00053 0.00066 149 3S -0.00618 0.01064 0.00048 0.00050 0.00055 150 3PX -0.00669 -0.04024 -0.00074 -0.00169 0.00204 151 3PY -0.01300 -0.00668 0.00022 0.00039 -0.00018 152 3PZ 0.00676 -0.04211 -0.00188 -0.00020 0.00145 153 4XX -0.00022 -0.00188 0.00045 -0.00016 -0.00017 154 4YY -0.00039 -0.00021 -0.00016 0.00037 -0.00008 155 4ZZ 0.00018 0.00145 -0.00017 -0.00008 0.00018 156 4XY 0.00099 -0.00105 0.00001 -0.00015 0.00005 157 4XZ 0.00026 0.00009 0.00019 0.00005 -0.00012 158 4YZ 0.00007 0.00136 -0.00007 -0.00004 0.00014 159 15 C 1S 0.00284 -0.00411 0.00055 -0.00185 0.00071 160 2S -0.01069 0.00851 -0.00122 0.00439 -0.00116 161 2PX 0.00160 -0.03959 0.00653 -0.00163 -0.00388 162 2PY -0.00561 -0.02549 0.00246 -0.00979 0.00242 163 2PZ -0.01117 -0.01417 0.00489 0.00043 -0.00350 164 3S -0.02368 0.01305 -0.00039 0.00673 -0.00420 165 3PX -0.00132 -0.03093 0.00408 -0.00057 -0.00209 166 3PY 0.00592 -0.01857 0.00039 -0.00499 0.00247 167 3PZ -0.00060 -0.02249 0.00387 -0.00061 -0.00267 168 4XX 0.00037 0.00163 0.00008 -0.00015 0.00001 169 4YY 0.00089 -0.00087 0.00005 -0.00003 -0.00001 170 4ZZ -0.00001 -0.00208 -0.00004 -0.00027 0.00015 171 4XY 0.00276 -0.00456 -0.00039 -0.00013 0.00015 172 4XZ -0.00020 0.00042 0.00001 0.00009 0.00001 173 4YZ -0.00146 -0.00175 -0.00032 0.00012 0.00047 174 16 H 1S -0.01042 0.00729 0.00308 -0.00535 0.00632 175 2S -0.01148 0.01281 0.00158 -0.00516 0.00695 176 17 H 1S -0.08409 -0.00414 -0.00852 0.01671 -0.00993 177 2S -0.07232 0.00209 -0.00500 0.01588 -0.00874 178 18 H 1S 0.00583 0.00224 0.00458 -0.00286 0.00115 179 2S -0.00375 0.01697 0.00610 -0.00198 -0.00221 180 19 H 1S -0.00455 0.00282 -0.00024 -0.00155 0.00123 181 2S -0.00340 -0.00194 -0.00114 -0.00211 0.00239 182 20 H 1S -0.00990 -0.00328 -0.00021 0.00086 -0.00008 183 2S -0.00401 -0.00909 -0.00090 0.00150 -0.00030 184 21 H 1S 0.00662 -0.01359 0.00034 -0.00257 0.00002 185 2S 0.01576 -0.01523 0.00109 -0.00387 -0.00050 186 22 H 1S 0.00735 -0.02955 -0.00245 -0.00242 0.00811 187 2S 0.00681 -0.04307 -0.00104 -0.00165 0.00535 188 23 H 1S -0.00948 0.02494 0.00137 -0.00100 -0.00013 189 2S -0.00183 0.02862 0.00250 -0.00203 -0.00038 111 112 113 114 115 111 4XY 0.00042 112 4XZ -0.00009 0.00069 113 4YZ -0.00027 0.00008 0.00065 114 12 C 1S 0.00133 0.00200 -0.00339 2.05092 115 2S -0.00249 -0.00368 0.00663 -0.05341 0.30682 116 2PX 0.00080 0.00910 0.00319 0.00090 -0.00095 117 2PY -0.00066 0.00272 0.00441 0.00199 -0.00122 118 2PZ 0.00406 0.00360 -0.00853 -0.00338 0.00249 119 3S -0.00382 -0.00373 0.00653 -0.18586 0.27975 120 3PX 0.00043 0.00421 0.00139 0.00226 -0.00386 121 3PY 0.00012 0.00107 0.00184 -0.00043 -0.00254 122 3PZ 0.00240 0.00118 -0.00426 -0.00163 0.00937 123 4XX 0.00017 -0.00027 -0.00039 -0.01787 0.00019 124 4YY -0.00004 0.00019 0.00020 -0.01551 -0.00514 125 4ZZ 0.00001 0.00011 -0.00009 -0.01630 -0.00351 126 4XY -0.00006 -0.00038 -0.00013 -0.00056 0.00106 127 4XZ -0.00012 0.00062 -0.00011 -0.00050 0.00110 128 4YZ -0.00008 -0.00002 0.00031 0.00140 -0.00269 129 13 C 1S 0.00035 -0.00008 -0.00111 0.01015 -0.01940 130 2S -0.00074 0.00026 0.00199 -0.01940 0.03034 131 2PX 0.00001 -0.00081 0.00033 -0.00028 0.00115 132 2PY 0.00174 -0.00099 -0.00725 0.06233 -0.12841 133 2PZ 0.00057 0.00056 -0.00108 0.00373 -0.00778 134 3S -0.00077 0.00033 0.00251 0.00627 0.00956 135 3PX 0.00018 -0.00058 0.00018 -0.00051 0.00150 136 3PY 0.00046 -0.00110 -0.00319 0.01397 -0.04158 137 3PZ 0.00014 0.00060 -0.00055 0.00322 -0.00966 138 4XX 0.00006 0.00005 -0.00021 0.00206 -0.00506 139 4YY -0.00008 -0.00008 0.00034 -0.00683 0.01180 140 4ZZ 0.00001 -0.00003 -0.00021 0.00208 -0.00477 141 4XY -0.00002 -0.00028 -0.00007 0.00001 -0.00002 142 4XZ -0.00002 0.00001 -0.00004 0.00011 -0.00018 143 4YZ -0.00012 -0.00009 0.00018 0.00031 -0.00028 144 14 C 1S 0.00044 -0.00005 0.00001 -0.00202 0.00459 145 2S -0.00070 -0.00038 -0.00004 0.00420 -0.00918 146 2PX -0.00076 0.00001 0.00160 -0.00309 0.00430 147 2PY 0.00097 0.00024 0.00042 -0.00914 0.01815 148 2PZ 0.00146 -0.00002 -0.00128 0.00489 -0.01662 149 3S -0.00203 0.00018 0.00050 0.00384 -0.00944 150 3PX -0.00098 -0.00004 0.00116 -0.00367 0.00478 151 3PY 0.00099 -0.00026 0.00008 -0.00396 0.00900 152 3PZ 0.00104 0.00010 -0.00136 0.00182 -0.00698 153 4XX -0.00001 0.00018 0.00007 0.00030 -0.00104 154 4YY 0.00015 0.00005 0.00004 -0.00149 0.00320 155 4ZZ -0.00005 -0.00012 -0.00014 0.00048 -0.00117 156 4XY -0.00013 -0.00004 0.00005 -0.00034 0.00074 157 4XZ 0.00004 0.00005 0.00000 -0.00008 0.00025 158 4YZ 0.00005 0.00000 -0.00025 0.00110 -0.00198 159 15 C 1S -0.00099 -0.00064 0.00075 -0.00266 0.00479 160 2S 0.00185 0.00123 -0.00144 0.00503 -0.00883 161 2PX 0.00107 0.00246 0.00232 -0.00128 -0.00214 162 2PY -0.00568 -0.00139 0.00451 -0.00376 0.00682 163 2PZ 0.00146 0.00178 0.00112 0.00576 -0.01506 164 3S 0.00341 0.00159 -0.00235 0.01091 -0.02104 165 3PX -0.00024 0.00231 0.00190 -0.00010 -0.00217 166 3PY -0.00201 -0.00038 0.00139 -0.00350 0.00598 167 3PZ 0.00151 0.00107 0.00022 0.00342 -0.00989 168 4XX -0.00021 -0.00001 0.00008 0.00000 0.00002 169 4YY 0.00031 -0.00021 -0.00023 -0.00020 0.00036 170 4ZZ -0.00018 -0.00003 0.00018 -0.00037 0.00057 171 4XY 0.00009 -0.00008 -0.00029 0.00004 -0.00041 172 4XZ 0.00005 0.00004 -0.00004 -0.00009 0.00017 173 4YZ -0.00023 0.00001 0.00003 -0.00021 0.00066 174 16 H 1S -0.00349 -0.00387 0.00210 -0.00710 0.01561 175 2S -0.00519 -0.00177 0.00392 -0.00909 0.02150 176 17 H 1S 0.00154 0.00194 0.00173 0.01166 -0.02374 177 2S 0.00134 0.00309 0.00107 0.01409 -0.02636 178 18 H 1S 0.00002 -0.00706 -0.00220 -0.05306 0.10305 179 2S 0.00148 -0.00574 -0.00328 -0.00470 0.02008 180 19 H 1S 0.00019 0.00082 -0.00098 0.00761 -0.02000 181 2S 0.00041 0.00093 -0.00076 0.00793 -0.01756 182 20 H 1S 0.00059 0.00023 0.00041 -0.00717 0.01458 183 2S 0.00078 0.00062 0.00057 -0.00907 0.01876 184 21 H 1S -0.00085 -0.00030 0.00057 -0.00090 0.00147 185 2S -0.00037 -0.00117 0.00017 -0.00047 -0.00005 186 22 H 1S 0.00105 0.00401 -0.00145 -0.05286 0.10195 187 2S 0.00102 0.00503 -0.00280 -0.00701 0.02105 188 23 H 1S 0.00010 -0.00069 -0.00105 0.00840 -0.02008 189 2S -0.00006 -0.00099 -0.00117 0.01009 -0.02084 116 117 118 119 120 116 2PX 0.41186 117 2PY 0.00500 0.38125 118 2PZ 0.00314 -0.00574 0.38896 119 3S 0.00648 0.00795 -0.02478 0.30206 120 3PX 0.18596 0.00357 -0.00070 0.00137 0.08586 121 3PY -0.00074 0.17353 -0.00967 0.00728 0.00188 122 3PZ -0.00746 -0.00609 0.17987 -0.00698 -0.00655 123 4XX -0.01073 -0.01030 0.01113 -0.00036 -0.00492 124 4YY -0.00057 0.01508 -0.00100 -0.00513 -0.00020 125 4ZZ 0.01055 -0.00819 -0.00581 -0.00015 0.00478 126 4XY -0.01583 -0.00030 -0.00040 0.00118 -0.00725 127 4XZ 0.01491 0.00053 0.01189 0.00236 0.00663 128 4YZ 0.00003 0.00072 -0.01283 -0.00251 0.00016 129 13 C 1S -0.00025 -0.06234 0.00363 0.00627 -0.00051 130 2S 0.00110 0.12842 -0.00757 0.00956 0.00149 131 2PX -0.00075 -0.00190 -0.00493 -0.00441 -0.00513 132 2PY 0.00204 -0.31488 0.00185 -0.12578 0.00288 133 2PZ -0.00492 -0.00238 0.00696 -0.00434 0.00111 134 3S -0.00450 0.12580 -0.00414 -0.03255 -0.00253 135 3PX -0.00516 -0.00282 0.00108 -0.00252 -0.00533 136 3PY 0.00017 -0.14639 -0.01490 -0.03363 0.00181 137 3PZ 0.00076 0.00196 -0.00678 -0.00817 0.00278 138 4XX 0.00024 -0.00708 0.00043 -0.00421 0.00048 139 4YY 0.00036 0.00827 0.00048 0.01297 0.00017 140 4ZZ -0.00063 -0.00813 0.00080 -0.00656 -0.00073 141 4XY -0.01155 -0.00034 -0.00029 0.00016 -0.00535 142 4XZ -0.00065 0.00060 -0.00059 -0.00163 -0.00063 143 4YZ -0.00043 0.00010 -0.01048 -0.00037 -0.00012 144 14 C 1S 0.00179 0.01024 -0.00336 -0.00082 -0.00044 145 2S -0.00335 -0.02612 0.01372 -0.01381 -0.00407 146 2PX 0.00566 0.00233 -0.00368 0.04761 0.00895 147 2PY 0.00360 0.03531 -0.00754 0.07651 0.00860 148 2PZ -0.00157 -0.03068 0.02386 0.00222 0.00186 149 3S -0.01286 -0.02808 -0.00625 -0.01018 -0.00768 150 3PX -0.00202 0.00941 -0.01452 0.04232 0.00405 151 3PY 0.00012 0.01241 0.02511 0.02364 0.00200 152 3PZ 0.00419 -0.02232 0.02495 0.01382 0.00495 153 4XX -0.00016 -0.00102 0.00235 -0.00084 -0.00010 154 4YY 0.00053 0.00819 -0.00100 0.00541 0.00059 155 4ZZ -0.00018 -0.00394 0.00006 -0.00339 -0.00022 156 4XY -0.00001 0.00173 -0.00056 0.00077 -0.00018 157 4XZ -0.00082 0.00099 0.00056 0.00033 -0.00058 158 4YZ -0.00032 -0.00723 0.00107 -0.00249 -0.00017 159 15 C 1S 0.00207 0.00390 -0.00786 0.01324 0.00106 160 2S -0.00443 -0.00856 0.01255 -0.02299 -0.00172 161 2PX -0.00675 0.02847 0.01136 0.02356 -0.00053 162 2PY 0.00764 -0.01156 -0.02369 0.03025 0.00185 163 2PZ -0.00880 -0.00382 0.02035 -0.00941 -0.00169 164 3S -0.01315 -0.01911 0.07869 -0.06110 -0.00822 165 3PX -0.00581 0.01993 -0.00219 0.01894 -0.00077 166 3PY 0.01728 -0.00704 -0.02452 0.02949 0.00913 167 3PZ -0.00098 0.00329 0.03395 -0.00431 0.00001 168 4XX -0.00032 -0.00082 -0.00066 -0.00151 -0.00052 169 4YY -0.00066 0.00190 0.00059 0.00205 0.00004 170 4ZZ 0.00085 -0.00047 -0.00074 0.00194 0.00043 171 4XY 0.00037 -0.00035 0.00159 0.00049 0.00020 172 4XZ -0.00006 0.00073 0.00000 0.00078 0.00014 173 4YZ 0.00122 -0.00083 -0.00020 0.00335 0.00073 174 16 H 1S 0.01139 -0.01103 -0.03376 0.04178 0.00465 175 2S 0.02685 -0.01586 -0.06651 0.05148 0.01223 176 17 H 1S -0.00671 0.03131 0.03242 -0.06426 -0.00615 177 2S -0.01513 0.05912 0.06674 -0.06878 -0.00964 178 18 H 1S -0.24407 -0.09295 0.06729 0.08094 -0.11189 179 2S -0.21325 -0.07592 0.05556 -0.00682 -0.09434 180 19 H 1S 0.02272 -0.02938 -0.00281 -0.01943 0.01472 181 2S 0.04405 -0.05180 -0.00229 -0.00384 0.02326 182 20 H 1S 0.00151 0.03618 -0.00432 0.04599 0.00397 183 2S 0.00484 0.06046 -0.01988 0.05207 0.00610 184 21 H 1S -0.00009 0.00103 -0.00298 0.00355 -0.00129 185 2S -0.00382 0.00097 0.00411 -0.00166 -0.00382 186 22 H 1S 0.18014 -0.08056 0.17923 0.09108 0.07903 187 2S 0.16485 -0.06632 0.15937 0.01903 0.07318 188 23 H 1S -0.01885 -0.02734 -0.01616 -0.03334 -0.00936 189 2S -0.03503 -0.05261 -0.02231 -0.03226 -0.01823 121 122 123 124 125 121 3PY 0.08589 122 3PZ -0.00766 0.09072 123 4XX -0.00456 0.00528 0.00114 124 4YY 0.00601 -0.00085 -0.00033 0.00121 125 4ZZ -0.00318 -0.00239 -0.00017 -0.00033 0.00105 126 4XY 0.00004 0.00023 0.00040 -0.00003 -0.00038 127 4XZ -0.00026 0.00509 -0.00023 -0.00007 0.00033 128 4YZ 0.00093 -0.00611 -0.00042 0.00025 0.00018 129 13 C 1S -0.01398 0.00320 0.00206 -0.00682 0.00208 130 2S 0.04159 -0.00959 -0.00506 0.01180 -0.00477 131 2PX -0.00010 0.00071 0.00023 0.00037 -0.00063 132 2PY -0.14640 -0.00219 0.00708 -0.00827 0.00812 133 2PZ 0.01468 -0.00676 0.00044 0.00044 0.00084 134 3S 0.03365 -0.00814 -0.00420 0.01297 -0.00657 135 3PX -0.00179 0.00274 0.00048 0.00018 -0.00074 136 3PY -0.06475 -0.00910 0.00296 -0.00462 0.00444 137 3PZ 0.00902 -0.00863 -0.00045 0.00071 0.00073 138 4XX -0.00296 -0.00045 0.00013 -0.00014 0.00028 139 4YY 0.00461 0.00073 -0.00014 -0.00006 -0.00018 140 4ZZ -0.00445 0.00071 0.00028 -0.00018 0.00010 141 4XY 0.00020 0.00024 0.00031 -0.00002 -0.00028 142 4XZ 0.00052 -0.00015 0.00004 0.00013 -0.00008 143 4YZ 0.00010 -0.00526 -0.00030 0.00010 0.00016 144 14 C 1S 0.00685 0.00017 -0.00043 -0.00057 0.00018 145 2S -0.01928 0.00714 0.00105 0.00088 -0.00092 146 2PX 0.00920 -0.01323 -0.00160 -0.00258 0.00295 147 2PY 0.05190 -0.00330 -0.00085 -0.00193 0.00151 148 2PZ -0.01856 0.01589 -0.00003 0.00054 0.00091 149 3S -0.01837 -0.00341 0.00059 0.00052 -0.00049 150 3PX 0.01155 -0.01369 -0.00185 -0.00138 0.00227 151 3PY 0.01565 0.01142 0.00079 -0.00036 -0.00067 152 3PZ -0.00895 0.01346 -0.00002 -0.00117 0.00161 153 4XX -0.00038 0.00079 0.00012 -0.00021 0.00010 154 4YY 0.00567 0.00003 -0.00023 0.00009 -0.00009 155 4ZZ -0.00314 -0.00024 0.00006 0.00022 -0.00005 156 4XY 0.00045 -0.00014 -0.00006 0.00008 -0.00001 157 4XZ 0.00110 0.00060 0.00005 -0.00008 -0.00003 158 4YZ -0.00317 0.00055 0.00021 -0.00034 0.00021 159 15 C 1S 0.00348 -0.00485 -0.00029 -0.00010 0.00024 160 2S -0.00738 0.00736 0.00034 0.00024 -0.00041 161 2PX 0.02759 0.00621 0.00036 -0.00060 -0.00010 162 2PY -0.00887 -0.02434 0.00022 -0.00192 0.00197 163 2PZ 0.00192 0.00455 0.00077 -0.00177 0.00059 164 3S -0.01693 0.04096 0.00343 0.00111 -0.00284 165 3PX 0.01747 -0.00206 -0.00067 -0.00062 0.00075 166 3PY -0.00052 -0.01700 -0.00109 -0.00183 0.00254 167 3PZ 0.00539 0.01557 0.00114 -0.00139 0.00033 168 4XX -0.00108 -0.00033 0.00006 0.00004 -0.00006 169 4YY 0.00223 0.00057 0.00000 -0.00008 0.00004 170 4ZZ -0.00055 -0.00069 -0.00005 0.00000 0.00005 171 4XY -0.00016 0.00145 -0.00006 -0.00012 0.00026 172 4XZ 0.00102 0.00003 -0.00003 -0.00001 0.00002 173 4YZ -0.00066 -0.00060 -0.00020 0.00000 0.00013 174 16 H 1S -0.01301 -0.02992 -0.00119 0.00007 -0.00017 175 2S -0.01565 -0.04623 -0.00276 -0.00017 0.00100 176 17 H 1S 0.00752 0.02545 -0.00156 0.00649 -0.00182 177 2S 0.01767 0.03804 -0.00043 0.00718 -0.00456 178 18 H 1S -0.04146 0.03904 0.01149 -0.00485 -0.00664 179 2S -0.03003 0.02557 0.01044 -0.00281 -0.00649 180 19 H 1S -0.01810 -0.00846 -0.00095 0.00174 0.00162 181 2S -0.02463 -0.00583 -0.00070 -0.00150 0.00326 182 20 H 1S 0.03698 -0.00016 -0.00081 -0.00011 -0.00001 183 2S 0.04915 -0.00653 -0.00228 0.00022 0.00045 184 21 H 1S -0.00023 -0.00071 0.00044 -0.00008 0.00018 185 2S -0.00068 0.00420 0.00114 -0.00032 -0.00008 186 22 H 1S -0.04184 0.08297 0.00242 -0.00575 0.00364 187 2S -0.03404 0.07123 0.00130 -0.00434 0.00446 188 23 H 1S -0.01271 -0.01227 0.00039 0.00275 -0.00025 189 2S -0.02121 -0.01143 0.00189 -0.00032 0.00040 126 127 128 129 130 126 4XY 0.00096 127 4XZ -0.00054 0.00130 128 4YZ -0.00004 -0.00042 0.00091 129 13 C 1S -0.00001 0.00011 -0.00033 2.05092 130 2S 0.00001 -0.00018 0.00032 -0.05342 0.30682 131 2PX 0.01155 -0.00062 0.00043 0.00089 -0.00094 132 2PY -0.00033 -0.00060 0.00005 -0.00199 0.00121 133 2PZ 0.00029 -0.00060 0.01048 -0.00339 0.00249 134 3S -0.00016 -0.00163 0.00040 -0.18586 0.27977 135 3PX 0.00535 -0.00063 0.00012 0.00226 -0.00384 136 3PY 0.00021 -0.00052 0.00008 0.00044 0.00252 137 3PZ -0.00025 -0.00016 0.00526 -0.00163 0.00937 138 4XX -0.00031 0.00004 0.00030 -0.01787 0.00020 139 4YY 0.00002 0.00013 -0.00010 -0.01551 -0.00514 140 4ZZ 0.00028 -0.00008 -0.00016 -0.01630 -0.00351 141 4XY 0.00089 -0.00042 0.00003 0.00055 -0.00106 142 4XZ 0.00042 -0.00011 0.00036 -0.00049 0.00110 143 4YZ 0.00003 -0.00036 0.00065 -0.00140 0.00268 144 14 C 1S -0.00034 0.00007 0.00151 0.01252 -0.02336 145 2S 0.00059 -0.00012 -0.00341 -0.02296 0.03913 146 2PX 0.00054 0.00227 0.00256 0.02140 -0.04293 147 2PY -0.00070 0.00068 0.00454 0.02960 -0.05557 148 2PZ 0.00294 0.00233 -0.00723 -0.05183 0.10793 149 3S 0.00113 0.00028 -0.00211 -0.00159 0.01521 150 3PX 0.00075 0.00192 0.00124 0.00447 -0.01063 151 3PY -0.00018 0.00020 0.00039 0.00709 -0.01666 152 3PZ 0.00084 0.00237 -0.00342 -0.00575 0.02430 153 4XX -0.00020 0.00014 0.00004 0.00166 -0.00384 154 4YY -0.00003 0.00003 0.00020 0.00168 -0.00345 155 4ZZ 0.00016 -0.00008 -0.00002 -0.00511 0.00884 156 4XY -0.00002 0.00002 -0.00012 -0.00133 0.00249 157 4XZ 0.00028 0.00001 0.00009 0.00199 -0.00367 158 4YZ -0.00007 0.00004 0.00018 0.00341 -0.00665 159 15 C 1S 0.00007 -0.00019 -0.00020 -0.00300 0.00649 160 2S -0.00036 0.00044 0.00082 0.00562 -0.01506 161 2PX 0.00023 0.00102 -0.00129 -0.00513 0.01443 162 2PY -0.00099 -0.00088 0.00014 0.00154 -0.00588 163 2PZ -0.00059 0.00064 0.00008 0.01145 -0.02806 164 3S -0.00078 0.00001 -0.00127 0.00523 -0.00898 165 3PX 0.00013 0.00164 0.00001 -0.00086 -0.00034 166 3PY -0.00123 0.00060 0.00085 0.00402 -0.00848 167 3PZ -0.00081 0.00083 -0.00131 0.00806 -0.01523 168 4XX -0.00002 -0.00009 -0.00003 -0.00046 0.00036 169 4YY 0.00002 -0.00005 0.00008 0.00081 -0.00158 170 4ZZ 0.00008 0.00005 -0.00019 -0.00156 0.00302 171 4XY 0.00008 0.00014 -0.00027 -0.00080 0.00173 172 4XZ -0.00002 0.00004 0.00018 0.00073 -0.00157 173 4YZ 0.00000 0.00038 0.00006 0.00027 -0.00070 174 16 H 1S -0.00039 0.00149 0.00084 -0.00090 0.00147 175 2S -0.00092 0.00196 0.00199 -0.00047 -0.00004 176 17 H 1S -0.00122 0.00093 0.00479 -0.00717 0.01458 177 2S -0.00059 0.00158 0.00207 -0.00907 0.01876 178 18 H 1S 0.01024 -0.00740 -0.00360 0.00761 -0.01999 179 2S 0.00918 -0.00854 -0.00243 0.00792 -0.01755 180 19 H 1S -0.00762 0.00091 0.00178 -0.05307 0.10305 181 2S -0.00741 0.00197 0.00143 -0.00471 0.02008 182 20 H 1S -0.00029 0.00020 0.00198 0.01166 -0.02373 183 2S -0.00036 0.00043 0.00306 0.01408 -0.02635 184 21 H 1S 0.00020 -0.00062 -0.00110 -0.00710 0.01561 185 2S 0.00069 -0.00148 -0.00254 -0.00908 0.02150 186 22 H 1S -0.00696 0.01312 -0.00751 0.00840 -0.02008 187 2S -0.00699 0.01252 -0.00651 0.01010 -0.02085 188 23 H 1S 0.00568 -0.00207 0.00549 -0.05287 0.10196 189 2S 0.00581 -0.00284 0.00499 -0.00700 0.02105 131 132 133 134 135 131 2PX 0.41189 132 2PY -0.00498 0.38123 133 2PZ 0.00312 0.00574 0.38896 134 3S 0.00646 -0.00791 -0.02479 0.30211 135 3PX 0.18594 -0.00354 -0.00071 0.00138 0.08584 136 3PY 0.00077 0.17352 0.00965 -0.00728 -0.00185 137 3PZ -0.00744 0.00608 0.17988 -0.00701 -0.00654 138 4XX -0.01071 0.01028 0.01118 -0.00035 -0.00491 139 4YY -0.00055 -0.01508 -0.00106 -0.00514 -0.00019 140 4ZZ 0.01050 0.00820 -0.00579 -0.00016 0.00476 141 4XY 0.01580 -0.00028 0.00038 -0.00117 0.00723 142 4XZ 0.01498 -0.00054 0.01184 0.00235 0.00666 143 4YZ -0.00004 0.00065 0.01285 0.00250 -0.00017 144 14 C 1S -0.01703 -0.02354 0.06430 0.00259 -0.00270 145 2S 0.03363 0.04877 -0.13738 0.02396 0.01325 146 2PX 0.00058 -0.02060 0.10092 -0.09349 0.00002 147 2PY -0.02747 -0.03175 0.12228 -0.11191 -0.01603 148 2PZ 0.08280 0.11059 -0.23444 0.08679 0.03725 149 3S 0.03848 0.03628 -0.11066 0.00025 0.01150 150 3PX 0.00014 -0.00744 0.03881 -0.04849 -0.00163 151 3PY -0.00297 -0.01304 0.01893 -0.02852 0.00036 152 3PZ 0.01544 0.05091 -0.09077 -0.00062 0.00752 153 4XX -0.00729 -0.00066 0.00546 -0.00366 -0.00316 154 4YY -0.00095 -0.00951 0.00362 -0.00683 -0.00063 155 4ZZ 0.00569 0.00774 0.00069 0.01172 0.00265 156 4XY -0.00083 -0.00064 -0.00405 0.00382 -0.00044 157 4XZ 0.00912 -0.00272 0.00357 -0.00371 0.00422 158 4YZ -0.00319 0.00436 0.00855 -0.00657 -0.00139 159 15 C 1S 0.00839 0.00132 -0.01207 0.00759 0.00454 160 2S -0.02186 -0.00322 0.03131 -0.01647 -0.00902 161 2PX -0.00069 0.00232 -0.04903 -0.00177 -0.00130 162 2PY -0.01085 0.00421 0.00698 0.01091 -0.00744 163 2PZ -0.03289 -0.00692 0.02306 -0.07812 -0.01494 164 3S -0.02773 0.00914 0.00222 0.01676 -0.00631 165 3PX -0.00832 -0.00778 -0.01028 -0.02535 -0.00639 166 3PY -0.02932 0.00643 0.03196 -0.02145 -0.01539 167 3PZ -0.02852 -0.00237 -0.00726 -0.03854 -0.01190 168 4XX 0.00027 0.00009 -0.00132 0.00276 0.00006 169 4YY -0.00138 -0.00124 0.00396 -0.00434 -0.00070 170 4ZZ 0.00377 0.00210 -0.00733 0.00349 0.00170 171 4XY 0.00102 0.00250 -0.00402 0.00173 0.00039 172 4XZ -0.00129 -0.00116 0.00607 -0.00278 -0.00059 173 4YZ -0.00015 0.00023 0.00076 -0.00357 -0.00017 174 16 H 1S -0.00009 -0.00103 -0.00298 0.00353 -0.00131 175 2S -0.00382 -0.00098 0.00410 -0.00170 -0.00384 176 17 H 1S 0.00152 -0.03618 -0.00437 0.04598 0.00396 177 2S 0.00485 -0.06044 -0.02000 0.05205 0.00611 178 18 H 1S 0.02272 0.02939 -0.00275 -0.01939 0.01474 179 2S 0.04408 0.05181 -0.00216 -0.00376 0.02329 180 19 H 1S -0.24405 0.09273 0.06770 0.08095 -0.11185 181 2S -0.21324 0.07574 0.05593 -0.00678 -0.09431 182 20 H 1S -0.00666 -0.03135 0.03237 -0.06426 -0.00612 183 2S -0.01502 -0.05920 0.06663 -0.06879 -0.00959 184 21 H 1S 0.01135 0.01109 -0.03375 0.04175 0.00460 185 2S 0.02678 0.01599 -0.06648 0.05146 0.01217 186 22 H 1S -0.01885 0.02735 -0.01612 -0.03337 -0.00938 187 2S -0.03500 0.05264 -0.02226 -0.03232 -0.01824 188 23 H 1S 0.18032 0.08036 0.17915 0.09108 0.07910 189 2S 0.16499 0.06613 0.15931 0.01900 0.07323 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00766 0.09075 138 4XX 0.00455 0.00530 0.00113 139 4YY -0.00601 -0.00087 -0.00033 0.00121 140 4ZZ 0.00319 -0.00238 -0.00017 -0.00033 0.00105 141 4XY 0.00005 -0.00023 -0.00040 0.00003 0.00038 142 4XZ 0.00025 0.00507 -0.00023 -0.00007 0.00033 143 4YZ 0.00090 0.00612 0.00042 -0.00025 -0.00018 144 14 C 1S -0.00572 0.01308 0.00197 0.00080 -0.00456 145 2S 0.01151 -0.04401 -0.00451 -0.00221 0.00847 146 2PX -0.01361 0.04342 0.00735 0.00071 -0.00572 147 2PY 0.00252 0.05786 0.00167 0.00983 -0.00739 148 2PZ 0.05349 -0.11711 -0.00376 -0.00222 0.00103 149 3S 0.00991 -0.02317 -0.00465 -0.00176 0.00860 150 3PX -0.00133 0.01621 0.00410 0.00124 -0.00454 151 3PY -0.00478 0.00279 -0.00008 0.00343 -0.00230 152 3PZ 0.02380 -0.04787 0.00009 -0.00013 -0.00148 153 4XX -0.00082 0.00129 0.00055 -0.00011 -0.00043 154 4YY -0.00362 0.00255 -0.00029 0.00085 -0.00040 155 4ZZ 0.00392 -0.00032 0.00004 -0.00055 0.00029 156 4XY 0.00013 -0.00239 -0.00017 0.00004 -0.00001 157 4XZ -0.00107 0.00116 -0.00026 0.00019 0.00010 158 4YZ 0.00181 0.00427 0.00039 -0.00020 0.00009 159 15 C 1S 0.00412 -0.00802 -0.00114 0.00068 -0.00030 160 2S -0.00875 0.01862 0.00235 -0.00152 0.00017 161 2PX 0.00737 -0.04077 0.00085 0.00310 -0.00630 162 2PY 0.00453 -0.00840 0.00218 -0.00171 0.00096 163 2PZ -0.02099 0.02255 0.00525 -0.00200 -0.00132 164 3S -0.01093 -0.00613 0.00156 -0.00276 0.00089 165 3PX -0.00283 -0.00785 0.00185 0.00146 -0.00367 166 3PY 0.00707 0.01124 0.00296 0.00003 -0.00188 167 3PZ -0.00932 -0.00485 0.00260 -0.00033 -0.00192 168 4XX -0.00008 -0.00041 -0.00019 -0.00015 0.00036 169 4YY 0.00008 0.00203 0.00007 0.00035 -0.00033 170 4ZZ 0.00119 -0.00434 -0.00013 -0.00004 0.00002 171 4XY 0.00210 -0.00271 -0.00006 0.00000 -0.00010 172 4XZ -0.00026 0.00304 0.00013 0.00017 -0.00024 173 4YZ -0.00024 0.00128 0.00012 0.00008 -0.00004 174 16 H 1S 0.00022 -0.00069 0.00044 -0.00008 0.00018 175 2S 0.00066 0.00422 0.00114 -0.00033 -0.00007 176 17 H 1S -0.03698 -0.00022 -0.00081 -0.00011 -0.00002 177 2S -0.04914 -0.00663 -0.00228 0.00023 0.00043 178 18 H 1S 0.01813 -0.00845 -0.00095 0.00175 0.00161 179 2S 0.02465 -0.00580 -0.00070 -0.00149 0.00325 180 19 H 1S 0.04135 0.03922 0.01149 -0.00487 -0.00662 181 2S 0.02995 0.02572 0.01043 -0.00283 -0.00646 182 20 H 1S -0.00755 0.02544 -0.00156 0.00650 -0.00183 183 2S -0.01771 0.03800 -0.00043 0.00719 -0.00457 184 21 H 1S 0.01307 -0.02989 -0.00119 0.00008 -0.00017 185 2S 0.01574 -0.04620 -0.00276 -0.00016 0.00099 186 22 H 1S 0.01273 -0.01222 0.00038 0.00276 -0.00026 187 2S 0.02123 -0.01139 0.00188 -0.00031 0.00040 188 23 H 1S 0.04175 0.08294 0.00244 -0.00577 0.00363 189 2S 0.03396 0.07121 0.00132 -0.00435 0.00445 141 142 143 144 145 141 4XY 0.00095 142 4XZ 0.00054 0.00130 143 4YZ -0.00004 0.00042 0.00091 144 14 C 1S -0.00115 0.00264 0.00411 2.05499 145 2S 0.00204 -0.00523 -0.00768 -0.06133 0.32633 146 2PX 0.00144 -0.00786 0.00393 -0.00315 0.00484 147 2PY 0.00102 0.00344 -0.00339 -0.00192 -0.00375 148 2PZ 0.00361 -0.00569 -0.00870 0.00214 0.00093 149 3S 0.00248 -0.00329 -0.00614 -0.19786 0.29076 150 3PX 0.00119 -0.00506 0.00155 0.00758 -0.01606 151 3PY 0.00060 0.00035 -0.00275 0.00759 0.00818 152 3PZ 0.00105 -0.00512 -0.00416 0.00299 -0.00463 153 4XX -0.00026 -0.00024 0.00030 -0.01132 -0.01296 154 4YY 0.00004 0.00016 -0.00031 -0.01838 0.00158 155 4ZZ 0.00009 0.00052 0.00033 -0.01398 -0.00730 156 4XY -0.00006 0.00012 -0.00008 0.00162 -0.00345 157 4XZ 0.00038 0.00062 0.00002 0.00249 -0.00560 158 4YZ -0.00013 0.00011 0.00031 0.00080 -0.00152 159 15 C 1S 0.00024 0.00130 -0.00054 0.01788 -0.03383 160 2S -0.00072 -0.00293 0.00140 -0.03602 0.06174 161 2PX 0.00134 -0.00156 -0.00383 0.05995 -0.12174 162 2PY 0.00013 -0.00303 0.00172 -0.03613 0.07520 163 2PZ 0.00013 -0.00929 0.00056 -0.04300 0.08348 164 3S -0.00124 -0.00204 -0.00074 0.01168 0.01679 165 3PX 0.00086 -0.00284 -0.00128 0.00740 -0.03366 166 3PY -0.00104 -0.00236 0.00183 -0.00604 0.00946 167 3PZ -0.00037 -0.00494 -0.00127 0.00477 0.00609 168 4XX -0.00004 0.00027 0.00005 -0.00161 0.00279 169 4YY 0.00002 0.00010 -0.00011 0.00119 -0.00345 170 4ZZ 0.00015 -0.00019 -0.00019 -0.00025 0.00008 171 4XY 0.00001 -0.00001 -0.00008 0.00373 -0.00670 172 4XZ -0.00004 0.00024 0.00013 0.00330 -0.00638 173 4YZ 0.00002 -0.00032 -0.00005 -0.00331 0.00625 174 16 H 1S -0.00020 -0.00062 0.00110 -0.00753 0.01707 175 2S -0.00068 -0.00148 0.00253 -0.01234 0.02409 176 17 H 1S 0.00030 0.00020 -0.00198 -0.00252 0.00795 177 2S 0.00036 0.00044 -0.00306 -0.00361 0.01394 178 18 H 1S 0.00761 0.00093 -0.00178 -0.00421 0.01108 179 2S 0.00741 0.00200 -0.00143 -0.00628 0.01442 180 19 H 1S -0.01022 -0.00744 0.00361 0.00809 -0.01963 181 2S -0.00915 -0.00857 0.00245 0.01421 -0.02689 182 20 H 1S 0.00120 0.00093 -0.00478 -0.05968 0.11295 183 2S 0.00058 0.00157 -0.00205 -0.01310 0.02596 184 21 H 1S 0.00038 0.00149 -0.00084 0.01338 -0.02790 185 2S 0.00092 0.00197 -0.00199 0.01887 -0.03228 186 22 H 1S -0.00567 -0.00208 -0.00549 -0.00194 0.00810 187 2S -0.00579 -0.00285 -0.00500 -0.00257 0.00829 188 23 H 1S 0.00695 0.01313 0.00749 0.00810 -0.02346 189 2S 0.00698 0.01253 0.00650 0.01255 -0.02989 146 147 148 149 150 146 2PX 0.35438 147 2PY -0.02302 0.41150 148 2PZ -0.04004 -0.00391 0.38398 149 3S -0.01232 0.00350 -0.02810 0.30081 150 3PX 0.19633 0.01982 0.03213 -0.02134 0.12483 151 3PY -0.00468 0.13001 0.01754 -0.00568 0.00622 152 3PZ 0.04846 0.01426 0.17020 -0.02586 0.05265 153 4XX 0.00889 -0.00494 -0.00139 -0.01129 0.00519 154 4YY -0.00431 0.02196 -0.00249 0.00386 -0.00114 155 4ZZ -0.00780 -0.01080 0.00468 -0.00678 -0.00449 156 4XY -0.00761 -0.00006 0.00415 -0.00321 -0.00319 157 4XZ -0.00455 0.00527 0.00117 -0.00351 -0.00170 158 4YZ 0.00335 -0.00224 -0.01082 -0.00059 0.00006 159 15 C 1S -0.05518 0.03898 0.04366 -0.00917 -0.01232 160 2S 0.11755 -0.07530 -0.08984 0.03345 0.03511 161 2PX 0.00683 0.13770 0.21186 -0.13120 0.04966 162 2PY 0.13511 -0.05046 -0.08001 0.04985 0.06227 163 2PZ 0.24272 -0.06390 -0.01523 0.09075 0.12918 164 3S 0.04595 -0.10473 -0.05023 -0.02640 -0.00780 165 3PX 0.07513 0.06141 0.09003 -0.02879 0.06570 166 3PY 0.09231 0.00978 -0.03203 0.00106 0.05176 167 3PZ 0.09996 -0.00559 0.03874 0.00191 0.06100 168 4XX -0.00835 -0.00424 -0.00522 0.00398 -0.00568 169 4YY -0.00222 0.01330 0.00248 -0.00289 0.00024 170 4ZZ 0.00220 -0.00190 0.01017 -0.00161 0.00269 171 4XY -0.00236 -0.00166 0.00837 -0.00853 0.00000 172 4XZ -0.00298 0.00724 -0.00073 -0.00403 -0.00055 173 4YZ 0.00856 0.00164 -0.00097 0.00761 0.00548 174 16 H 1S 0.03033 -0.01508 -0.01498 0.04152 0.02564 175 2S 0.06566 -0.03038 -0.02986 0.04888 0.04374 176 17 H 1S -0.01086 -0.00924 -0.00290 0.00544 -0.01173 177 2S -0.03426 -0.02540 -0.00575 0.01444 -0.02811 178 18 H 1S -0.01222 -0.01110 0.01088 0.01099 -0.00908 179 2S -0.02775 -0.02015 0.01327 0.01058 -0.02206 180 19 H 1S 0.02500 0.00186 -0.02346 -0.03206 0.01667 181 2S 0.08196 0.01222 -0.02902 -0.04478 0.04616 182 20 H 1S -0.02950 0.26417 -0.02239 0.11236 -0.00500 183 2S -0.00935 0.24496 -0.02174 0.03318 0.01109 184 21 H 1S -0.03272 0.00417 0.03215 -0.05771 -0.01771 185 2S -0.07741 -0.00152 0.06794 -0.05898 -0.03770 186 22 H 1S 0.00893 -0.00402 0.02448 -0.00357 0.00076 187 2S 0.01198 -0.01251 0.03392 0.00100 0.00619 188 23 H 1S 0.00300 0.00517 -0.02612 -0.01621 -0.00407 189 2S -0.00777 0.01038 -0.05900 -0.01439 -0.01443 151 152 153 154 155 151 3PY 0.05323 152 3PZ 0.01511 0.09657 153 4XX -0.00167 0.00074 0.00150 154 4YY 0.00653 -0.00037 -0.00052 0.00186 155 4ZZ -0.00330 -0.00006 0.00006 -0.00073 0.00145 156 4XY 0.00011 0.00028 0.00000 -0.00013 0.00035 157 4XZ 0.00145 -0.00062 0.00001 0.00039 -0.00006 158 4YZ -0.00161 -0.00357 0.00014 -0.00011 -0.00004 159 15 C 1S 0.00983 0.00437 -0.00197 0.00154 0.00016 160 2S -0.02568 -0.01210 0.00318 -0.00340 -0.00117 161 2PX 0.05349 0.09572 0.01089 0.00156 -0.00181 162 2PY -0.00531 -0.03263 0.00515 -0.01233 0.00100 163 2PZ -0.02374 0.02869 0.00702 -0.00146 -0.01328 164 3S -0.01875 -0.00660 0.00432 -0.00598 0.00227 165 3PX 0.01754 0.05085 0.00752 0.00073 -0.00472 166 3PY 0.00219 0.00022 0.00330 -0.00312 -0.00133 167 3PZ 0.00261 0.03335 0.00593 -0.00082 -0.00632 168 4XX -0.00159 -0.00484 -0.00025 -0.00024 0.00024 169 4YY 0.00408 0.00199 -0.00020 0.00096 -0.00037 170 4ZZ 0.00056 0.00448 0.00012 -0.00047 0.00030 171 4XY -0.00028 0.00454 0.00005 -0.00024 0.00056 172 4XZ 0.00162 -0.00042 -0.00004 0.00056 -0.00018 173 4YZ 0.00013 0.00162 -0.00034 0.00029 -0.00043 174 16 H 1S -0.00657 -0.01357 0.00034 -0.00257 0.00002 175 2S -0.01570 -0.01524 0.00110 -0.00387 -0.00050 176 17 H 1S 0.00990 -0.00324 -0.00021 0.00086 -0.00008 177 2S 0.00402 -0.00900 -0.00090 0.00150 -0.00030 178 18 H 1S 0.00456 0.00276 -0.00024 -0.00155 0.00123 179 2S 0.00344 -0.00202 -0.00114 -0.00210 0.00239 180 19 H 1S -0.00582 0.00217 0.00457 -0.00287 0.00117 181 2S 0.00375 0.01688 0.00609 -0.00200 -0.00219 182 20 H 1S 0.08411 -0.00398 -0.00852 0.01672 -0.00994 183 2S 0.07233 0.00224 -0.00501 0.01588 -0.00875 184 21 H 1S 0.01039 0.00732 0.00307 -0.00534 0.00631 185 2S 0.01143 0.01286 0.00157 -0.00514 0.00695 186 22 H 1S 0.00939 0.02501 0.00137 -0.00101 -0.00013 187 2S 0.00172 0.02871 0.00250 -0.00204 -0.00037 188 23 H 1S -0.00728 -0.02954 -0.00244 -0.00242 0.00811 189 2S -0.00673 -0.04305 -0.00102 -0.00166 0.00534 156 157 158 159 160 156 4XY 0.00042 157 4XZ 0.00009 0.00069 158 4YZ -0.00027 -0.00008 0.00065 159 15 C 1S 0.00333 0.00415 -0.00298 2.05271 160 2S -0.00664 -0.00767 0.00598 -0.06212 0.32494 161 2PX 0.00346 0.00322 -0.00805 -0.00133 -0.00225 162 2PY 0.00262 -0.00661 -0.00169 -0.00054 -0.00162 163 2PZ -0.00805 -0.00047 0.00180 -0.00083 0.00778 164 3S -0.00401 -0.00599 0.00435 -0.16068 0.24767 165 3PX -0.00041 0.00116 -0.00322 -0.00664 0.02275 166 3PY -0.00005 -0.00283 0.00033 -0.00379 0.01624 167 3PZ -0.00232 0.00064 -0.00095 0.00493 -0.01455 168 4XX 0.00028 0.00010 -0.00001 -0.01431 -0.00947 169 4YY -0.00009 0.00031 -0.00002 -0.01700 -0.00307 170 4ZZ 0.00028 -0.00010 -0.00044 -0.01611 -0.00535 171 4XY 0.00027 -0.00010 -0.00010 -0.00088 0.00123 172 4XZ 0.00003 0.00045 0.00005 0.00454 -0.00944 173 4YZ -0.00026 -0.00003 0.00013 0.00203 -0.00343 174 16 H 1S 0.00086 -0.00030 -0.00058 0.01228 -0.02562 175 2S 0.00038 -0.00117 -0.00018 0.01464 -0.02568 176 17 H 1S -0.00059 0.00022 -0.00041 -0.00849 0.01865 177 2S -0.00079 0.00062 -0.00057 -0.01195 0.02528 178 18 H 1S -0.00018 0.00082 0.00098 -0.00059 0.00017 179 2S -0.00041 0.00093 0.00075 -0.00092 -0.00025 180 19 H 1S -0.00001 -0.00707 0.00219 -0.00760 0.01927 181 2S -0.00146 -0.00575 0.00327 -0.01117 0.02905 182 20 H 1S -0.00155 0.00194 -0.00166 0.01210 -0.02453 183 2S -0.00136 0.00308 -0.00101 0.01361 -0.02471 184 21 H 1S 0.00350 -0.00386 -0.00212 -0.06016 0.11225 185 2S 0.00520 -0.00175 -0.00394 -0.01304 0.02497 186 22 H 1S -0.00010 -0.00069 0.00104 -0.00137 0.00184 187 2S 0.00006 -0.00099 0.00117 -0.00228 0.00336 188 23 H 1S -0.00106 0.00402 0.00143 0.00158 -0.00349 189 2S -0.00102 0.00504 0.00279 0.00142 -0.00406 161 162 163 164 165 161 2PX 0.36898 162 2PY 0.00012 0.41333 163 2PZ -0.03329 0.00267 0.39025 164 3S 0.01951 -0.01119 -0.02948 0.25018 165 3PX 0.18143 0.01271 0.07530 0.00526 0.12006 166 3PY 0.01319 0.13843 0.02582 -0.00771 0.02130 167 3PZ 0.05971 0.00575 0.16798 -0.01272 0.06582 168 4XX -0.00802 0.00593 -0.00342 -0.00562 -0.00525 169 4YY 0.00430 -0.01307 -0.00043 -0.00310 0.00157 170 4ZZ 0.00687 0.01026 -0.00255 -0.00247 0.00263 171 4XY 0.00497 -0.00022 -0.01075 0.00262 -0.00017 172 4XZ -0.00067 -0.00920 0.00216 -0.00814 -0.00040 173 4YZ -0.00949 -0.00200 0.01031 -0.00707 -0.00159 174 16 H 1S -0.01877 0.04292 0.01323 -0.06038 0.00248 175 2S -0.03390 0.08630 0.03946 -0.06760 0.00573 176 17 H 1S -0.00142 -0.03521 0.00129 0.05608 -0.00085 177 2S -0.01048 -0.06880 0.00303 0.06422 -0.00660 178 18 H 1S -0.00194 -0.00229 -0.00063 0.01950 -0.00706 179 2S -0.00538 -0.00699 -0.00768 0.02805 -0.01622 180 19 H 1S -0.00238 0.01530 0.03244 0.01772 0.00664 181 2S 0.00199 0.02101 0.07099 0.02307 0.01663 182 20 H 1S 0.02457 -0.03572 -0.01202 -0.06201 0.01714 183 2S 0.04786 -0.07137 -0.01048 -0.05923 0.02899 184 21 H 1S 0.13257 0.13096 -0.18738 0.11510 0.03238 185 2S 0.12143 0.11804 -0.18079 0.05424 0.01784 186 22 H 1S 0.00286 0.00017 0.00658 0.02054 -0.00049 187 2S 0.01503 0.00379 0.01957 0.01844 0.01194 188 23 H 1S -0.02930 -0.00310 -0.02867 -0.01232 -0.01933 189 2S -0.02922 0.00012 -0.02535 -0.01124 -0.01783 166 167 168 169 170 166 3PY 0.06239 167 3PZ 0.01398 0.09333 168 4XX -0.00006 -0.00247 0.00092 169 4YY -0.00297 0.00079 -0.00023 0.00114 170 4ZZ 0.00301 0.00047 0.00022 -0.00019 0.00089 171 4XY 0.00038 -0.00331 -0.00019 0.00000 0.00032 172 4XZ -0.00261 0.00110 0.00007 0.00048 -0.00026 173 4YZ 0.00071 0.00212 -0.00003 0.00014 -0.00011 174 16 H 1S 0.01991 -0.00276 0.00082 0.00184 0.00080 175 2S 0.03826 0.00232 0.00161 -0.00153 0.00193 176 17 H 1S -0.03258 -0.00071 -0.00029 -0.00127 -0.00082 177 2S -0.04800 -0.00212 -0.00007 -0.00118 -0.00192 178 18 H 1S -0.01410 0.00036 0.00055 0.00013 -0.00009 179 2S -0.02158 -0.00403 0.00080 0.00006 -0.00013 180 19 H 1S 0.02871 0.01869 -0.00089 0.00033 -0.00156 181 2S 0.03778 0.03883 -0.00252 0.00077 -0.00124 182 20 H 1S -0.00228 -0.00668 -0.00145 0.00805 -0.00272 183 2S -0.00590 -0.00120 -0.00308 0.00888 -0.00329 184 21 H 1S 0.03918 -0.05969 -0.00193 -0.00405 0.00549 185 2S 0.02563 -0.05144 0.00068 -0.00360 0.00646 186 22 H 1S 0.00487 0.01533 -0.00054 -0.00031 0.00070 187 2S 0.00768 0.02316 -0.00055 -0.00064 0.00071 188 23 H 1S -0.00435 -0.03019 0.00081 -0.00014 -0.00072 189 2S -0.00455 -0.02563 0.00164 -0.00012 -0.00169 171 172 173 174 175 171 4XY 0.00095 172 4XZ -0.00017 0.00067 173 4YZ -0.00042 0.00028 0.00117 174 16 H 1S -0.00512 0.00001 0.00716 0.21693 175 2S -0.00529 -0.00049 0.00782 0.17899 0.17165 176 17 H 1S -0.00167 0.00027 0.00090 -0.02290 -0.02724 177 2S -0.00248 0.00048 0.00055 -0.02758 -0.03410 178 18 H 1S 0.00000 -0.00035 -0.00131 -0.00882 -0.02288 179 2S -0.00028 -0.00060 -0.00304 -0.02135 -0.03822 180 19 H 1S -0.00016 0.00073 0.00083 0.00342 0.01033 181 2S -0.00046 0.00081 0.00265 0.00712 0.01815 182 20 H 1S -0.00412 0.00312 0.00350 -0.00941 -0.01833 183 2S -0.00216 0.00474 0.00264 -0.02008 -0.02681 184 21 H 1S 0.00786 -0.00826 -0.01088 -0.02222 -0.02568 185 2S 0.00774 -0.00606 -0.01063 -0.02568 -0.03291 186 22 H 1S 0.00159 -0.00023 0.00150 -0.00035 -0.00361 187 2S 0.00181 -0.00036 0.00143 -0.00122 -0.00329 188 23 H 1S -0.00062 0.00133 -0.00076 -0.00063 -0.00023 189 2S -0.00141 0.00151 -0.00146 -0.00022 -0.00045 176 177 178 179 180 176 17 H 1S 0.21713 177 2S 0.17587 0.16496 178 18 H 1S -0.01340 -0.00727 0.21593 179 2S -0.01058 -0.00004 0.16994 0.16630 180 19 H 1S -0.00724 -0.01830 -0.02780 -0.03452 0.21593 181 2S -0.01155 -0.02513 -0.03451 -0.04556 0.16993 182 20 H 1S 0.00159 -0.00152 -0.00723 -0.01152 -0.01340 183 2S -0.00152 -0.00431 -0.01829 -0.02512 -0.00728 184 21 H 1S -0.00941 -0.02008 0.00341 0.00712 -0.00882 185 2S -0.01833 -0.02683 0.01032 0.01814 -0.02287 186 22 H 1S -0.00897 -0.00496 -0.02500 -0.05357 0.01698 187 2S -0.00566 -0.00227 -0.05206 -0.06144 0.03044 188 23 H 1S -0.00529 -0.01307 0.01704 0.03249 -0.02500 189 2S -0.01223 -0.01808 0.03052 0.04135 -0.05204 181 182 183 184 185 181 2S 0.16626 182 20 H 1S -0.01059 0.21714 183 2S -0.00005 0.17586 0.16496 184 21 H 1S -0.02136 -0.02289 -0.02757 0.21693 185 2S -0.03821 -0.02724 -0.03410 0.17898 0.17163 186 22 H 1S 0.03240 -0.00530 -0.01305 -0.00062 -0.00021 187 2S 0.04125 -0.01225 -0.01807 -0.00020 -0.00043 188 23 H 1S -0.05356 -0.00897 -0.00497 -0.00034 -0.00359 189 2S -0.06139 -0.00567 -0.00227 -0.00119 -0.00327 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.17309 0.15894 188 23 H 1S -0.03157 -0.03522 0.21529 189 2S -0.03521 -0.03752 0.17307 0.15892 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.01388 0.33286 3 2PX 0.00000 0.00000 0.34619 4 2PY 0.00000 0.00000 0.00000 0.43072 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37876 6 3S -0.03171 0.22138 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.09509 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07005 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09294 10 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 11 4YY -0.00136 -0.00071 0.00000 0.00000 0.00000 12 4ZZ -0.00124 -0.00292 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 -0.00065 0.00000 -0.00287 0.00000 17 2S -0.00065 0.01384 0.00000 0.04299 -0.00001 18 2PX 0.00000 0.00000 0.01640 0.00000 0.00000 19 2PY -0.00286 0.04296 0.00000 0.10300 0.00002 20 2PZ 0.00000 0.00001 0.00000 -0.00002 0.01211 21 3S 0.00011 0.00956 0.00000 0.03206 -0.00002 22 3PX 0.00000 0.00000 0.02166 0.00000 0.00000 23 3PY -0.00013 0.01034 0.00000 0.01885 0.00001 24 3PZ 0.00000 0.00001 0.00000 -0.00002 0.01874 25 4XX 0.00000 -0.00061 0.00000 -0.00167 0.00000 26 4YY -0.00027 0.00367 0.00000 0.00314 0.00000 27 4ZZ 0.00000 -0.00064 0.00000 -0.00128 0.00000 28 4XY 0.00000 0.00000 0.00205 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 0.00234 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00015 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 36 3S 0.00009 -0.00098 -0.00291 -0.00150 -0.00044 37 3PX 0.00018 -0.00203 -0.00095 -0.00094 -0.00124 38 3PY 0.00001 -0.00026 -0.00174 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00360 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 47 2S -0.00002 0.00104 0.00849 0.00170 0.00516 48 2PX -0.00024 0.01219 0.01592 0.00658 0.01964 49 2PY -0.00005 0.00217 0.00600 -0.00067 0.00300 50 2PZ -0.00011 0.00478 0.01887 0.00317 0.00254 51 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 52 3PX -0.00226 0.02341 0.01031 0.00753 0.02078 53 3PY -0.00071 0.00623 0.00939 -0.00374 0.00480 54 3PZ -0.00096 0.00743 0.01890 0.00398 -0.00207 55 4XX -0.00009 0.00127 -0.00098 0.00103 0.00161 56 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 57 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 58 4XY -0.00008 0.00087 0.00084 0.00020 0.00115 59 4XZ -0.00015 0.00131 0.00071 0.00034 -0.00008 60 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 61 5 H 1S -0.00236 0.03822 0.00578 0.03859 0.05485 62 2S -0.00192 0.02241 0.00245 0.02225 0.03131 63 6 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 64 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00031 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 -0.00002 -0.00001 0.00051 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 69 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 70 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 71 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 72 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 73 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 74 3PY 0.00011 -0.00329 -0.00123 -0.00347 -0.00068 75 3PZ -0.00001 0.00015 -0.00130 -0.00195 -0.00025 76 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 77 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 78 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 79 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 80 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00017 0.00068 0.00002 0.00003 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00003 -0.00037 0.00001 -0.00002 90 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 91 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 92 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 105 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 106 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 107 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 120 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 121 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 122 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 131 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 134 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 135 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 136 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 137 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00038 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00008 0.00003 -0.00002 0.00008 146 2PX 0.00000 0.00013 0.00205 0.00020 0.00112 147 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 148 2PZ 0.00000 0.00005 0.00072 0.00004 0.00022 149 3S 0.00004 0.00014 0.00062 0.00007 0.00129 150 3PX 0.00004 -0.00038 0.00777 0.00086 0.00550 151 3PY -0.00002 0.00039 0.00086 -0.00007 0.00059 152 3PZ -0.00005 0.00064 0.00476 0.00059 0.00007 153 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 154 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 157 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 158 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 161 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 -0.00029 0.00029 0.00000 -0.00001 165 3PX 0.00006 -0.00144 -0.00170 -0.00001 -0.00008 166 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 167 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00001 0.00001 0.00004 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 182 20 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 183 2S 0.00001 -0.00009 -0.00062 -0.00045 -0.00017 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00005 0.00000 0.00007 6 7 8 9 10 6 3S 0.30259 7 3PX 0.00000 0.10752 8 3PY 0.00000 0.00000 0.05312 9 3PZ 0.00000 0.00000 0.00000 0.09319 10 4XX -0.00700 0.00000 0.00000 0.00000 0.00284 11 4YY 0.00000 0.00000 0.00000 0.00000 -0.00027 12 4ZZ -0.00198 0.00000 0.00000 0.00000 -0.00019 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 0.00011 0.00000 -0.00013 0.00000 0.00000 17 2S 0.00956 0.00000 0.01041 -0.00001 -0.00062 18 2PX 0.00000 0.02166 0.00000 0.00000 0.00000 19 2PY 0.03200 0.00000 0.01886 0.00002 -0.00167 20 2PZ 0.00002 0.00000 -0.00001 0.01872 0.00000 21 3S -0.01174 0.00000 -0.00768 -0.00003 -0.00101 22 3PX 0.00000 0.02494 0.00000 0.00000 0.00000 23 3PY -0.00780 0.00000 0.00238 0.00002 -0.00166 24 3PZ 0.00003 0.00000 -0.00001 0.02710 0.00000 25 4XX -0.00101 0.00000 -0.00166 0.00000 0.00004 26 4YY 0.00361 0.00000 0.00143 0.00000 -0.00005 27 4ZZ -0.00207 0.00000 -0.00096 0.00000 0.00000 28 4XY 0.00000 0.00113 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 0.00113 0.00000 31 3 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00089 -0.00168 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00013 -0.00122 0.00005 34 2PY 0.00040 -0.00158 -0.00078 -0.00112 0.00000 35 2PZ -0.00187 -0.00287 -0.00017 0.00021 0.00004 36 3S 0.00150 -0.00489 -0.00287 0.00277 -0.00004 37 3PX -0.00468 -0.00074 -0.00046 -0.00116 -0.00001 38 3PY 0.00071 -0.00142 -0.00035 -0.00109 -0.00017 39 3PZ -0.00045 -0.00619 -0.00134 0.00047 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 O 1S 0.00128 0.00011 -0.00024 0.00040 -0.00006 47 2S -0.01941 -0.00292 0.00272 -0.00507 0.00138 48 2PX 0.00361 0.00059 0.00087 0.00354 -0.00096 49 2PY 0.00273 -0.00034 0.00416 0.00003 0.00096 50 2PZ 0.00548 0.00691 0.00110 -0.00136 0.00397 51 3S -0.06780 -0.00103 0.00116 -0.01269 0.00244 52 3PX 0.00144 -0.00163 0.00035 0.00189 -0.00195 53 3PY 0.00723 -0.00035 0.01064 0.00017 0.00146 54 3PZ 0.01221 0.00729 0.00218 -0.00723 0.00628 55 4XX 0.00210 -0.00128 0.00059 0.00141 -0.00007 56 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 57 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 58 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 59 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 60 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 61 5 H 1S 0.05282 0.00176 0.01255 0.02524 -0.00145 62 2S 0.03770 -0.00039 0.01033 0.02356 -0.00256 63 6 H 1S -0.00418 0.00003 -0.00396 -0.00012 0.00000 64 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 65 7 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 66 2S 0.00239 -0.00042 -0.00054 0.00258 0.00009 67 8 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 68 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 69 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 70 2PY -0.00391 0.00057 -0.00411 0.00089 0.00000 71 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 72 3S 0.01002 0.00118 0.01201 -0.00278 -0.00009 73 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 74 3PY -0.01562 0.00189 -0.00974 0.00219 -0.00010 75 3PZ 0.00201 -0.00340 -0.00486 -0.00290 0.00004 76 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 77 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 78 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 79 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 82 9 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 83 2S -0.00032 0.00313 0.00032 -0.00041 -0.00009 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 86 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 87 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 88 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 89 3S -0.00076 -0.00190 -0.00002 -0.00020 -0.00001 90 3PX -0.00414 -0.00955 0.00281 -0.00096 -0.00001 91 3PY -0.00081 -0.00164 0.00000 -0.00013 -0.00001 92 3PZ -0.00022 -0.00060 0.00017 0.00122 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 100 2S -0.00020 -0.00046 0.00003 -0.00022 0.00000 101 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 102 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 103 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 104 3S -0.00008 0.00010 -0.00080 0.00042 0.00001 105 3PX -0.00064 -0.00161 0.00021 -0.00176 -0.00002 106 3PY -0.00001 0.00158 -0.00060 0.00093 0.00002 107 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 108 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 109 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 110 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 111 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 115 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 116 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 117 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 118 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 119 3S -0.00190 -0.00154 -0.00028 -0.00262 -0.00001 120 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 121 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 122 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 123 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 124 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 129 13 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 130 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 131 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 132 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 133 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 134 3S 0.00071 -0.00065 -0.00007 0.00098 0.00004 135 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 136 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 137 3PZ 0.00096 -0.00202 -0.00009 0.00026 -0.00011 138 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 139 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 140 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 143 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 14 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 145 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 146 2PX 0.00235 0.00813 0.00105 0.00633 0.00012 147 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 148 2PZ -0.00066 0.00514 0.00060 0.00003 0.00006 149 3S 0.00127 0.00342 0.00015 0.00207 0.00056 150 3PX 0.00243 0.01259 0.00213 0.01153 0.00070 151 3PY 0.00173 0.00220 -0.00001 0.00088 0.00021 152 3PZ 0.00107 0.01183 0.00151 -0.00216 0.00049 153 4XX 0.00037 0.00047 0.00013 0.00026 -0.00001 154 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 155 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 156 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 157 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 158 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 160 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 161 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 162 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 163 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 164 3S -0.00023 0.00033 0.00000 0.00006 -0.00004 165 3PX -0.00790 -0.00260 -0.00002 -0.00045 0.00027 166 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 167 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 168 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 169 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 170 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 176 17 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 177 2S 0.00040 0.00008 0.00045 0.00007 0.00000 178 18 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 179 2S 0.00028 0.00011 0.00013 0.00001 0.00000 180 19 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 181 2S -0.00144 -0.00105 -0.00020 -0.00524 -0.00007 182 20 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 183 2S -0.00324 -0.00284 0.00072 -0.00111 -0.00002 184 21 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 185 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00012 0.00003 0.00003 0.00015 0.00000 188 23 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 189 2S 0.00004 0.00100 0.00008 0.00076 0.00000 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00008 0.00166 13 4XY 0.00000 0.00000 0.00146 14 4XZ 0.00000 0.00000 0.00000 0.00147 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 16 2 C 1S -0.00027 0.00000 0.00000 0.00000 0.00000 17 2S 0.00367 -0.00064 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00205 0.00000 0.00000 19 2PY 0.00315 -0.00128 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00234 21 3S 0.00360 -0.00207 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00113 0.00000 0.00000 23 3PY 0.00143 -0.00096 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00113 25 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00005 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00005 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 -0.00018 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00005 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 47 2S -0.00019 0.00007 0.00089 0.00157 0.00055 48 2PX -0.00048 0.00158 0.00038 0.00289 0.00116 49 2PY 0.00017 0.00023 0.00025 0.00115 0.00017 50 2PZ -0.00031 -0.00055 0.00124 0.00027 -0.00003 51 3S -0.00008 -0.00012 0.00095 0.00101 0.00085 52 3PX -0.00143 0.00391 0.00001 0.00088 0.00070 53 3PY -0.00054 0.00045 0.00071 0.00076 0.00045 54 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 55 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 56 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 57 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 58 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 59 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 60 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 61 5 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 62 2S -0.00043 0.00314 0.00010 0.00003 0.00064 63 6 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 64 2S -0.00027 0.00027 0.00001 0.00001 0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 70 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 71 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 72 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 73 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 74 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 75 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 105 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 106 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 107 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 0.00001 0.00000 0.00002 0.00000 135 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00002 0.00001 146 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 147 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 149 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 150 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 151 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 152 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 166 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 0.00011 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.01389 0.33290 18 2PX 0.00000 0.00000 0.34624 19 2PY 0.00000 0.00000 0.00000 0.43068 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37886 21 3S -0.03169 0.22127 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.09508 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07003 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09299 25 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 26 4YY -0.00136 -0.00073 0.00000 0.00000 0.00000 27 4ZZ -0.00124 -0.00291 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 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00062 -0.00016 -0.00003 36 3S 0.00009 -0.00099 -0.00291 -0.00149 -0.00045 37 3PX 0.00018 -0.00204 -0.00095 -0.00093 -0.00124 38 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00361 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 48 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00008 49 2PY 0.00000 -0.00016 -0.00010 -0.00033 -0.00004 50 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00003 51 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 52 3PX 0.00004 -0.00104 0.00070 -0.00110 -0.00130 53 3PY 0.00011 -0.00329 -0.00122 -0.00345 -0.00069 54 3PZ -0.00001 0.00014 -0.00131 -0.00197 -0.00024 55 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 56 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 57 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 58 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 60 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 61 5 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 62 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 63 6 H 1S -0.00236 0.03823 0.00584 0.03848 0.05492 64 2S -0.00192 0.02241 0.00248 0.02219 0.03134 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 67 8 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 68 2S -0.00002 0.00105 0.00849 0.00172 0.00516 69 2PX -0.00025 0.01219 0.01588 0.00664 0.01963 70 2PY -0.00005 0.00219 0.00605 -0.00067 0.00302 71 2PZ -0.00011 0.00478 0.01887 0.00319 0.00253 72 3S 0.00061 -0.00733 0.01468 -0.00372 0.00746 73 3PX -0.00226 0.02342 0.01026 0.00758 0.02074 74 3PY -0.00071 0.00628 0.00945 -0.00376 0.00483 75 3PZ -0.00096 0.00741 0.01888 0.00400 -0.00208 76 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 77 4YY -0.00001 0.00013 0.00062 0.00000 0.00029 78 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 79 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 80 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00009 81 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00017 0.00068 0.00002 0.00003 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 86 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 90 3PX 0.00006 -0.00143 -0.00168 -0.00001 -0.00008 91 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 92 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 101 2PX 0.00000 0.00013 0.00203 0.00020 0.00111 102 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 103 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 104 3S 0.00004 0.00013 0.00060 0.00007 0.00128 105 3PX 0.00004 -0.00038 0.00776 0.00087 0.00548 106 3PY -0.00002 0.00038 0.00085 -0.00007 0.00059 107 3PZ -0.00005 0.00063 0.00474 0.00059 0.00007 108 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 112 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 116 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 119 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 120 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 121 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 122 3PZ 0.00002 -0.00034 -0.00008 0.00000 -0.00037 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 135 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 136 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 137 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00030 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 147 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 150 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00034 151 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 152 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 165 3PX 0.00002 -0.00038 -0.00239 0.00020 -0.00018 166 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 167 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 176 17 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 2S 0.00001 -0.00009 -0.00061 -0.00044 -0.00017 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 179 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00001 0.00001 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 0.00005 0.00000 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 0.00000 21 22 23 24 25 21 3S 0.30219 22 3PX 0.00000 0.10753 23 3PY 0.00000 0.00000 0.05314 24 3PZ 0.00000 0.00000 0.00000 0.09331 25 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 26 4YY -0.00003 0.00000 0.00000 0.00000 -0.00027 27 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00090 -0.00168 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 34 2PY 0.00040 -0.00157 -0.00079 -0.00112 0.00000 35 2PZ -0.00187 -0.00288 -0.00016 0.00021 0.00004 36 3S 0.00149 -0.00488 -0.00286 0.00277 -0.00004 37 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 38 3PY 0.00071 -0.00140 -0.00036 -0.00109 -0.00017 39 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 47 2S 0.00175 -0.00001 0.00148 0.00019 0.00000 48 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 49 2PY -0.00391 0.00058 -0.00410 0.00089 0.00000 50 2PZ 0.00032 -0.00092 -0.00147 -0.00037 0.00000 51 3S 0.01002 0.00118 0.01200 -0.00279 -0.00009 52 3PX -0.00459 -0.00122 0.00131 -0.00173 -0.00002 53 3PY -0.01561 0.00191 -0.00969 0.00219 -0.00010 54 3PZ 0.00200 -0.00341 -0.00489 -0.00288 0.00004 55 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 56 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 57 4ZZ -0.00010 0.00004 -0.00014 -0.00003 0.00000 58 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 61 5 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 62 2S -0.01562 -0.00006 -0.00811 0.00008 0.00023 63 6 H 1S 0.05283 0.00178 0.01250 0.02525 -0.00145 64 2S 0.03772 -0.00038 0.01029 0.02356 -0.00255 65 7 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 66 2S 0.00239 -0.00041 -0.00053 0.00259 0.00009 67 8 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 68 2S -0.01942 -0.00293 0.00273 -0.00508 0.00138 69 2PX 0.00360 0.00058 0.00088 0.00353 -0.00096 70 2PY 0.00275 -0.00034 0.00415 0.00004 0.00097 71 2PZ 0.00548 0.00691 0.00111 -0.00137 0.00397 72 3S -0.06777 -0.00106 0.00117 -0.01271 0.00243 73 3PX 0.00144 -0.00163 0.00035 0.00186 -0.00195 74 3PY 0.00728 -0.00035 0.01063 0.00018 0.00147 75 3PZ 0.01220 0.00728 0.00219 -0.00726 0.00627 76 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 77 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 78 4ZZ 0.00072 0.00113 0.00015 -0.00059 -0.00001 79 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 80 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 81 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 82 9 H 1S 0.00006 0.00029 0.00000 0.00004 0.00000 83 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 84 10 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 85 2S -0.00021 -0.00065 0.00000 -0.00006 0.00000 86 2PX -0.00140 -0.00045 -0.00001 -0.00019 0.00001 87 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 88 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 89 3S -0.00021 0.00036 0.00000 0.00007 -0.00004 90 3PX -0.00783 -0.00255 -0.00002 -0.00044 0.00027 91 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 92 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 93 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 94 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 95 4ZZ 0.00000 -0.00008 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 100 2S -0.00064 -0.00040 -0.00033 0.00025 0.00003 101 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 102 2PY 0.00089 0.00149 0.00025 0.00056 0.00002 103 2PZ -0.00066 0.00511 0.00060 0.00003 0.00006 104 3S 0.00125 0.00340 0.00015 0.00206 0.00056 105 3PX 0.00245 0.01264 0.00214 0.01155 0.00070 106 3PY 0.00171 0.00220 -0.00001 0.00087 0.00021 107 3PZ 0.00106 0.01181 0.00151 -0.00216 0.00048 108 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 109 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 110 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 111 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 112 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 113 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 114 12 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 115 2S -0.00002 -0.00065 -0.00002 -0.00040 0.00000 116 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 117 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 118 2PZ 0.00044 -0.00139 -0.00005 -0.00006 0.00000 119 3S 0.00072 -0.00063 -0.00008 0.00101 0.00004 120 3PX -0.00008 -0.00045 -0.00004 -0.00008 0.00004 121 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 122 3PZ 0.00097 -0.00200 -0.00009 0.00026 -0.00011 123 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 124 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 125 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00009 0.00000 0.00014 0.00000 128 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 130 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 131 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 132 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 133 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 134 3S -0.00190 -0.00155 -0.00027 -0.00264 -0.00001 135 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 136 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 137 3PZ -0.00171 -0.00095 -0.00014 -0.00169 0.00000 138 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 139 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 145 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 146 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 147 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 148 2PZ 0.00013 -0.00026 0.00017 0.00000 0.00000 149 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 150 3PX -0.00065 -0.00162 0.00023 -0.00178 -0.00002 151 3PY -0.00001 0.00160 -0.00060 0.00094 0.00002 152 3PZ 0.00038 -0.00079 -0.00008 -0.00006 -0.00001 153 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 154 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 155 4ZZ -0.00003 -0.00004 0.00001 -0.00002 0.00000 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 161 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 162 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 163 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 164 3S -0.00077 -0.00191 -0.00001 -0.00021 -0.00001 165 3PX -0.00413 -0.00958 0.00283 -0.00097 -0.00001 166 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 167 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 175 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 176 17 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 177 2S -0.00322 -0.00284 0.00071 -0.00110 -0.00002 178 18 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 179 2S -0.00144 -0.00106 -0.00020 -0.00527 -0.00007 180 19 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 181 2S 0.00028 0.00011 0.00013 0.00001 0.00000 182 20 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 183 2S 0.00040 0.00008 0.00046 0.00008 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 187 2S 0.00003 0.00100 0.00008 0.00075 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00012 0.00003 0.00003 0.00015 0.00000 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00008 0.00166 28 4XY 0.00000 0.00000 0.00146 29 4XZ 0.00000 0.00000 0.00000 0.00146 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 O 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 0.00001 0.00000 0.00001 0.00000 0.00001 49 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 50 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 51 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 52 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 53 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 54 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 62 2S -0.00026 0.00027 0.00001 0.00001 0.00022 63 6 H 1S -0.00033 0.00234 0.00042 0.00024 0.00376 64 2S -0.00044 0.00314 0.00010 0.00003 0.00063 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 67 8 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 68 2S -0.00019 0.00007 0.00090 0.00157 0.00056 69 2PX -0.00048 0.00157 0.00038 0.00288 0.00117 70 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 71 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 72 3S -0.00007 -0.00013 0.00096 0.00100 0.00085 73 3PX -0.00142 0.00390 0.00001 0.00088 0.00071 74 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 75 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 76 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 77 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 78 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 79 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 80 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 81 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 91 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00002 0.00001 101 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 104 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 105 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 106 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 107 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00002 0.00001 0.00000 0.00002 0.00000 120 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 122 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 150 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 151 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 152 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 0.00011 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.01427 0.34291 33 2PX 0.00000 0.00000 0.42800 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.42492 36 3S -0.02762 0.21128 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08852 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.08274 40 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 42 4ZZ -0.00140 -0.00031 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 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 47 2S -0.00001 0.00022 0.00238 0.00833 0.00235 48 2PX -0.00005 0.00252 -0.00015 0.00935 0.00232 49 2PY -0.00022 0.01258 0.01064 0.02348 0.01131 50 2PZ -0.00005 0.00248 0.00212 0.01087 -0.00005 51 3S 0.00084 -0.01440 0.00278 0.00789 0.00306 52 3PX -0.00032 0.00325 -0.00392 0.00864 0.00159 53 3PY -0.00300 0.02935 0.01404 0.01977 0.01540 54 3PZ -0.00029 0.00285 0.00122 0.01194 -0.00395 55 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 56 4YY -0.00016 0.00280 0.00181 0.00191 0.00188 57 4ZZ 0.00000 -0.00007 0.00001 -0.00017 -0.00009 58 4XY -0.00006 0.00072 0.00006 0.00037 0.00043 59 4XZ -0.00001 0.00011 0.00003 0.00010 0.00002 60 4YZ -0.00007 0.00087 0.00054 0.00074 0.00003 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00020 0.00020 0.00017 0.00029 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00020 0.00020 0.00017 0.00029 65 7 H 1S -0.00189 0.03298 0.00486 0.00000 0.09574 66 2S -0.00105 0.01599 0.00407 0.00000 0.05687 67 8 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 68 2S -0.00001 0.00022 0.00238 0.00831 0.00237 69 2PX -0.00005 0.00252 -0.00015 0.00934 0.00234 70 2PY -0.00022 0.01255 0.01062 0.02335 0.01135 71 2PZ -0.00005 0.00250 0.00214 0.01091 -0.00003 72 3S 0.00084 -0.01440 0.00278 0.00787 0.00308 73 3PX -0.00032 0.00325 -0.00392 0.00863 0.00161 74 3PY -0.00300 0.02929 0.01403 0.01963 0.01547 75 3PZ -0.00029 0.00289 0.00124 0.01199 -0.00396 76 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 77 4YY -0.00016 0.00279 0.00180 0.00190 0.00188 78 4ZZ 0.00000 -0.00007 0.00002 -0.00017 -0.00009 79 4XY -0.00006 0.00071 0.00006 0.00036 0.00043 80 4XZ -0.00001 0.00011 0.00003 0.00010 0.00001 81 4YZ -0.00007 0.00088 0.00054 0.00075 0.00002 82 9 H 1S -0.00189 0.03334 0.09738 0.00000 0.00387 83 2S -0.00112 0.01681 0.05687 0.00000 0.00316 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00002 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 106 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 120 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 122 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 135 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 137 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00001 0.00002 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 151 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.23348 37 3PX 0.00000 0.06205 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.00000 0.00000 0.00000 0.06494 40 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 41 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 42 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 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 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 47 2S -0.01601 -0.00145 0.00067 -0.00118 -0.00028 48 2PX 0.00166 0.00018 0.00391 0.00262 0.00005 49 2PY 0.01001 0.00432 0.00086 0.00438 0.00007 50 2PZ 0.00123 0.00176 0.00527 0.00256 0.00031 51 3S -0.06227 -0.00434 -0.00313 -0.00502 -0.00147 52 3PX 0.00174 0.00062 0.00457 0.00429 -0.00113 53 3PY 0.02201 0.00669 -0.00008 0.00680 0.00042 54 3PZ -0.00042 0.00232 0.00758 0.00841 0.00137 55 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 56 4YY 0.00290 0.00088 0.00032 0.00092 -0.00001 57 4ZZ 0.00029 0.00000 0.00018 -0.00026 -0.00004 58 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 59 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 60 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 61 5 H 1S 0.00014 0.00015 0.00019 0.00008 0.00000 62 2S 0.00131 0.00123 0.00115 0.00056 0.00001 63 6 H 1S 0.00014 0.00015 0.00018 0.00008 0.00000 64 2S 0.00131 0.00123 0.00115 0.00057 0.00001 65 7 H 1S 0.04348 0.00167 0.00000 0.04187 -0.00142 66 2S 0.03017 0.00183 0.00000 0.02578 -0.00569 67 8 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 68 2S -0.01601 -0.00145 0.00067 -0.00118 -0.00028 69 2PX 0.00166 0.00017 0.00390 0.00263 0.00005 70 2PY 0.00999 0.00431 0.00084 0.00440 0.00007 71 2PZ 0.00124 0.00177 0.00528 0.00253 0.00032 72 3S -0.06226 -0.00434 -0.00311 -0.00504 -0.00146 73 3PX 0.00174 0.00061 0.00455 0.00431 -0.00114 74 3PY 0.02198 0.00668 -0.00009 0.00682 0.00041 75 3PZ -0.00041 0.00233 0.00761 0.00834 0.00138 76 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 77 4YY 0.00289 0.00087 0.00032 0.00093 -0.00001 78 4ZZ 0.00029 0.00001 0.00018 -0.00026 -0.00004 79 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 80 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 81 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 82 9 H 1S 0.03985 0.04871 0.00000 0.00027 0.00896 83 2S 0.02109 0.04009 0.00000 -0.00020 0.00902 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 105 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 106 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 107 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 116 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 117 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 118 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 119 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 120 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 121 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 122 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 131 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 132 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 135 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 136 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 137 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 150 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 151 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 152 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 178 18 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 179 2S -0.00101 0.00046 0.00062 0.00006 0.00004 180 19 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 181 2S -0.00101 0.00046 0.00062 0.00007 0.00004 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00046 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00000 0.00000 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 46 4 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 47 2S 0.00199 -0.00022 0.00093 0.00019 0.00113 48 2PX 0.00137 0.00029 -0.00007 -0.00001 0.00131 49 2PY -0.00047 0.00008 0.00225 0.00099 0.00250 50 2PZ 0.00163 0.00003 0.00135 -0.00001 -0.00012 51 3S 0.00618 -0.00165 0.00069 0.00007 0.00087 52 3PX 0.00173 0.00131 0.00056 0.00004 0.00085 53 3PY -0.00079 0.00021 0.00093 0.00063 0.00103 54 3PZ 0.00233 -0.00138 0.00087 0.00004 0.00060 55 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 56 4YY -0.00005 0.00002 0.00014 0.00015 0.00018 57 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 58 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 59 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 65 7 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 66 2S -0.00314 0.01031 0.00000 0.00010 0.00000 67 8 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 68 2S 0.00198 -0.00022 0.00093 0.00020 0.00114 69 2PX 0.00137 0.00030 -0.00007 -0.00001 0.00132 70 2PY -0.00048 0.00008 0.00224 0.00100 0.00250 71 2PZ 0.00163 0.00002 0.00136 -0.00001 -0.00012 72 3S 0.00616 -0.00165 0.00069 0.00008 0.00088 73 3PX 0.00172 0.00132 0.00056 0.00004 0.00085 74 3PY -0.00080 0.00023 0.00092 0.00064 0.00103 75 3PZ 0.00233 -0.00139 0.00088 0.00003 0.00059 76 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 77 4YY -0.00006 0.00002 0.00014 0.00015 0.00018 78 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 79 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 80 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 82 9 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 83 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 -0.00004 0.00002 0.00001 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 O 1S 2.07557 47 2S -0.04159 0.50358 48 2PX 0.00000 0.00000 0.64786 49 2PY 0.00000 0.00000 0.00000 0.66548 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.71669 51 3S -0.04102 0.45246 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.21176 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.23221 55 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 56 4YY -0.00043 -0.00456 0.00000 0.00000 0.00000 57 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00000 -0.00006 -0.00004 -0.00001 -0.00014 62 2S 0.00016 -0.00225 -0.00058 -0.00012 -0.00326 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00003 0.00010 0.00014 -0.00001 65 7 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 66 2S 0.00005 -0.00073 0.00089 -0.00091 -0.00755 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 73 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 74 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 83 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 0.00001 0.00000 106 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00002 0.00000 0.00001 120 3PX 0.00000 0.00000 -0.00001 -0.00002 0.00002 121 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00001 122 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00009 -0.00006 0.00002 -0.00006 135 3PX 0.00000 -0.00007 -0.00019 0.00004 -0.00031 136 3PY 0.00000 -0.00001 -0.00005 -0.00002 -0.00004 137 3PZ 0.00000 0.00001 0.00028 -0.00002 0.00019 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00004 -0.00039 -0.00002 -0.00005 150 3PX -0.00001 0.00008 -0.00078 0.00002 -0.00005 151 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00001 152 3PZ 0.00000 -0.00002 -0.00008 0.00000 0.00012 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 -0.00001 0.00001 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 0.00014 0.00058 0.00001 0.00128 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00002 0.00000 0.00002 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.75617 52 3PX 0.00000 0.26575 53 3PY 0.00000 0.00000 0.26973 54 3PZ 0.00000 0.00000 0.00000 0.30867 55 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 56 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00308 -0.00017 -0.00010 -0.00289 0.00003 62 2S -0.01369 0.00035 -0.00031 -0.01159 0.00011 63 6 H 1S 0.00001 0.00002 0.00003 0.00000 0.00000 64 2S 0.00029 0.00085 0.00122 -0.00018 0.00000 65 7 H 1S -0.00186 0.00063 -0.00065 -0.00614 -0.00001 66 2S -0.00584 0.00420 -0.00314 -0.03000 -0.00022 67 8 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 68 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 69 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 70 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 72 3S 0.00661 0.00000 -0.00515 -0.00001 -0.00002 73 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 74 3PY -0.00516 0.00000 -0.02517 0.00000 -0.00006 75 3PZ 0.00001 0.00000 0.00000 0.00162 0.00000 76 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 77 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 78 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 83 2S -0.00219 -0.02178 -0.00266 0.00432 0.00072 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00002 0.00004 0.00001 0.00000 0.00000 90 3PX 0.00006 0.00032 0.00002 -0.00004 0.00000 91 3PY 0.00001 0.00005 0.00000 0.00000 0.00000 92 3PZ 0.00000 -0.00003 0.00001 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00007 -0.00007 -0.00007 0.00000 0.00000 105 3PX -0.00005 0.00013 0.00009 0.00000 0.00000 106 3PY -0.00008 -0.00022 -0.00003 -0.00002 0.00000 107 3PZ -0.00001 0.00000 0.00000 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00001 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 119 3S 0.00006 0.00035 -0.00004 0.00015 0.00000 120 3PX -0.00005 -0.00009 -0.00024 0.00012 0.00000 121 3PY -0.00001 -0.00017 -0.00002 -0.00007 0.00000 122 3PZ 0.00012 0.00008 0.00010 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00001 -0.00005 0.00000 -0.00002 0.00000 131 2PX -0.00010 -0.00014 0.00000 -0.00010 0.00000 132 2PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 133 2PZ -0.00004 -0.00005 -0.00001 0.00002 0.00000 134 3S -0.00078 -0.00048 0.00015 -0.00046 -0.00001 135 3PX -0.00100 -0.00116 0.00019 -0.00169 -0.00001 136 3PY -0.00007 -0.00027 -0.00015 -0.00024 -0.00001 137 3PZ -0.00014 0.00167 -0.00013 0.00090 0.00002 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00011 0.00000 -0.00001 0.00000 146 2PX -0.00009 -0.00099 -0.00001 -0.00009 0.00000 147 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 148 2PZ 0.00001 -0.00003 0.00000 0.00005 0.00000 149 3S 0.00004 -0.00342 -0.00013 -0.00044 -0.00002 150 3PX 0.00080 -0.00509 0.00011 -0.00047 0.00010 151 3PY 0.00005 -0.00042 0.00010 -0.00005 0.00000 152 3PZ -0.00007 -0.00053 -0.00002 0.00119 0.00001 153 4XX -0.00001 0.00003 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00008 -0.00002 -0.00003 0.00000 165 3PX 0.00024 0.00030 -0.00003 -0.00005 -0.00001 166 3PY 0.00001 0.00004 0.00001 0.00000 0.00000 167 3PZ -0.00003 0.00002 0.00000 0.00003 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00016 -0.00013 0.00017 -0.00008 0.00000 180 19 H 1S -0.00014 0.00000 0.00000 -0.00002 0.00000 181 2S 0.00092 0.00352 0.00006 0.00671 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00026 0.00011 0.00012 0.00001 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 0.00000 -0.00002 0.00000 56 57 58 59 60 56 4YY 0.00294 57 4ZZ -0.00008 0.00079 58 4XY 0.00000 0.00000 0.00161 59 4XZ 0.00000 0.00000 0.00000 0.00045 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 61 5 H 1S 0.00000 0.00008 0.00001 0.00006 0.00001 62 2S 0.00015 0.00047 0.00002 0.00007 0.00004 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00002 -0.00001 0.00000 0.00000 -0.00001 65 7 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 66 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00029 0.00002 0.00000 0.00000 0.00000 73 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 74 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 83 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00000 0.00001 0.00000 135 3PX 0.00002 0.00001 0.00000 0.00002 -0.00001 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00002 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00003 -0.00005 0.00001 0.00000 0.00000 151 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00008 0.00005 0.00000 0.00004 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21550 62 2S 0.10064 0.12401 63 6 H 1S 0.00000 -0.00015 0.21548 64 2S -0.00015 0.00011 0.10060 0.12393 65 7 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.22401 66 2S -0.00001 -0.00038 -0.00001 -0.00038 0.12137 67 8 O 1S 0.00000 0.00000 0.00000 0.00016 0.00000 68 2S 0.00000 0.00003 -0.00006 -0.00225 -0.00004 69 2PX 0.00000 0.00010 -0.00004 -0.00058 0.00002 70 2PY 0.00000 0.00014 -0.00001 -0.00012 -0.00003 71 2PZ 0.00000 -0.00001 -0.00014 -0.00325 -0.00026 72 3S 0.00001 0.00029 -0.00308 -0.01370 -0.00186 73 3PX 0.00002 0.00085 -0.00017 0.00033 0.00063 74 3PY 0.00003 0.00122 -0.00010 -0.00030 -0.00064 75 3PZ 0.00000 -0.00019 -0.00288 -0.01156 -0.00614 76 4XX 0.00000 0.00000 0.00003 0.00011 -0.00001 77 4YY 0.00000 0.00002 0.00000 0.00014 0.00000 78 4ZZ 0.00000 -0.00001 0.00008 0.00047 0.00009 79 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 80 4XZ 0.00000 0.00000 0.00006 0.00007 0.00001 81 4YZ 0.00000 -0.00001 0.00001 0.00003 0.00003 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00073 83 2S 0.00000 0.00008 0.00000 0.00008 -0.01186 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 -0.00003 0.00000 86 2PX 0.00000 0.00011 -0.00001 -0.00048 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 88 2PZ 0.00000 0.00003 0.00000 -0.00005 0.00000 89 3S 0.00002 0.00017 -0.00008 -0.00017 0.00000 90 3PX 0.00006 0.00120 -0.00081 -0.00194 0.00000 91 3PY 0.00002 0.00023 0.00003 0.00021 0.00000 92 3PZ 0.00000 0.00027 -0.00026 -0.00063 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00004 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 96 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00003 0.00000 100 2S 0.00000 0.00002 -0.00002 -0.00064 0.00000 101 2PX 0.00000 0.00003 -0.00005 -0.00107 0.00000 102 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00003 -0.00004 -0.00122 0.00000 104 3S 0.00000 0.00009 -0.00059 -0.00381 0.00001 105 3PX 0.00004 0.00051 -0.00157 -0.00489 0.00001 106 3PY -0.00001 -0.00013 -0.00001 -0.00003 0.00001 107 3PZ 0.00002 0.00041 -0.00084 -0.00394 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00006 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00002 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00004 0.00000 119 3S 0.00000 0.00014 -0.00001 -0.00003 -0.00008 120 3PX 0.00000 -0.00002 -0.00002 -0.00010 -0.00006 121 3PY 0.00000 0.00008 0.00000 0.00003 0.00000 122 3PZ 0.00000 0.00006 0.00002 0.00049 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00002 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 134 3S -0.00001 -0.00002 0.00000 0.00014 -0.00008 135 3PX -0.00002 -0.00010 0.00000 -0.00002 -0.00006 136 3PY 0.00000 0.00003 0.00000 0.00008 0.00000 137 3PZ 0.00002 0.00049 0.00000 0.00006 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 145 2S -0.00002 -0.00065 0.00000 0.00002 0.00000 146 2PX -0.00005 -0.00108 0.00000 0.00003 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00003 0.00000 148 2PZ -0.00005 -0.00123 0.00000 0.00003 0.00000 149 3S -0.00059 -0.00384 0.00000 0.00009 0.00001 150 3PX -0.00157 -0.00491 0.00004 0.00051 0.00001 151 3PY 0.00000 -0.00002 -0.00001 -0.00013 0.00001 152 3PZ -0.00084 -0.00396 0.00002 0.00041 0.00000 153 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00003 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 161 2PX -0.00001 -0.00049 0.00000 0.00011 0.00000 162 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00005 0.00000 0.00003 0.00000 164 3S -0.00007 -0.00016 0.00002 0.00017 0.00000 165 3PX -0.00081 -0.00194 0.00006 0.00120 0.00000 166 3PY 0.00003 0.00021 0.00002 0.00023 0.00000 167 3PZ -0.00026 -0.00063 0.00000 0.00028 0.00000 168 4XX 0.00000 -0.00004 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 171 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 175 2S 0.00000 0.00002 0.00000 0.00027 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 177 2S 0.00000 -0.00003 -0.00011 -0.00015 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 179 2S 0.00000 -0.00005 0.00003 0.00048 -0.00038 180 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 181 2S 0.00003 0.00048 0.00000 -0.00005 -0.00038 182 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 183 2S -0.00011 -0.00016 0.00000 -0.00003 0.00000 184 21 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 185 2S 0.00000 0.00027 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.19872 67 8 O 1S 0.00005 2.07557 68 2S -0.00073 -0.04159 0.50359 69 2PX 0.00089 0.00000 0.00000 0.64792 70 2PY -0.00090 0.00000 0.00000 0.00000 0.66572 71 2PZ -0.00756 0.00000 0.00000 0.00000 0.00000 72 3S -0.00585 -0.04102 0.45245 0.00000 0.00000 73 3PX 0.00420 0.00000 0.00000 0.20361 0.00000 74 3PY -0.00310 0.00000 0.00000 0.00000 0.21186 75 3PZ -0.03003 0.00000 0.00000 0.00000 0.00000 76 4XX -0.00022 -0.00051 -0.00156 0.00000 0.00000 77 4YY -0.00014 -0.00042 -0.00456 0.00000 0.00000 78 4ZZ 0.00078 -0.00047 -0.00299 0.00000 0.00000 79 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 81 4YZ -0.00016 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.01284 0.00000 -0.00005 -0.00023 -0.00003 83 2S -0.04733 0.00006 -0.00107 -0.00553 -0.00102 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00005 0.00000 0.00000 0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00003 0.00000 0.00000 -0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 104 3S 0.00037 0.00000 0.00004 -0.00039 -0.00002 105 3PX 0.00025 -0.00001 0.00008 -0.00078 0.00002 106 3PY 0.00025 0.00000 0.00001 -0.00007 0.00001 107 3PZ -0.00019 0.00000 -0.00002 -0.00008 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00018 0.00000 0.00000 0.00000 0.00000 117 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00056 0.00000 -0.00009 -0.00006 0.00002 120 3PX 0.00109 0.00000 -0.00007 -0.00019 0.00004 121 3PY -0.00010 0.00000 -0.00001 -0.00004 -0.00002 122 3PZ 0.00006 0.00000 0.00001 0.00028 -0.00002 123 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00018 0.00000 0.00000 0.00000 0.00000 132 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00057 0.00000 0.00000 0.00002 0.00000 135 3PX 0.00109 0.00000 0.00000 -0.00001 -0.00002 136 3PY -0.00010 0.00000 0.00000 -0.00002 0.00000 137 3PZ 0.00006 0.00000 0.00000 0.00000 0.00001 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 149 3S 0.00037 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00025 0.00000 0.00000 0.00001 0.00001 151 3PY 0.00025 0.00000 -0.00001 -0.00001 0.00000 152 3PZ -0.00019 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00005 0.00000 0.00000 0.00001 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00001 0.00000 0.00002 0.00000 0.00002 178 18 H 1S 0.00030 0.00000 0.00000 0.00000 0.00000 179 2S -0.00172 -0.00001 0.00014 0.00058 0.00001 180 19 H 1S 0.00030 0.00000 0.00000 0.00000 0.00000 181 2S -0.00171 0.00000 0.00001 -0.00001 0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00008 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PZ 0.71641 72 3S 0.00000 0.75616 73 3PX 0.00000 0.00000 0.26576 74 3PY 0.00000 0.00000 0.00000 0.26986 75 3PZ 0.23205 0.00000 0.00000 0.00000 0.30839 76 4XX 0.00000 -0.00294 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.01283 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00451 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00003 -0.00164 -0.00522 -0.00040 0.00076 83 2S 0.00091 -0.00219 -0.02178 -0.00267 0.00434 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00008 -0.00002 -0.00003 90 3PX 0.00000 0.00024 0.00030 -0.00003 -0.00005 91 3PY 0.00000 0.00001 0.00004 0.00001 0.00000 92 3PZ 0.00000 -0.00002 0.00002 0.00000 0.00003 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00011 0.00000 -0.00001 101 2PX 0.00000 -0.00009 -0.00099 -0.00001 -0.00009 102 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 103 2PZ 0.00000 0.00001 -0.00003 0.00000 0.00005 104 3S -0.00005 0.00003 -0.00339 -0.00013 -0.00044 105 3PX -0.00006 0.00079 -0.00510 0.00011 -0.00047 106 3PY -0.00001 0.00005 -0.00042 0.00011 -0.00005 107 3PZ 0.00011 -0.00007 -0.00053 -0.00002 0.00118 108 4XX 0.00000 -0.00001 0.00003 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00001 -0.00005 0.00000 -0.00002 116 2PX 0.00000 -0.00010 -0.00014 0.00000 -0.00010 117 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 118 2PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 119 3S -0.00006 -0.00078 -0.00049 0.00015 -0.00046 120 3PX -0.00031 -0.00100 -0.00116 0.00019 -0.00169 121 3PY -0.00004 -0.00007 -0.00026 -0.00015 -0.00024 122 3PZ 0.00019 -0.00013 0.00167 -0.00013 0.00089 123 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 134 3S 0.00001 0.00006 0.00035 -0.00004 0.00016 135 3PX 0.00002 -0.00005 -0.00009 -0.00024 0.00012 136 3PY -0.00001 -0.00001 -0.00017 -0.00002 -0.00007 137 3PZ 0.00000 0.00012 0.00008 0.00010 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00007 -0.00007 -0.00007 -0.00001 150 3PX 0.00000 -0.00005 0.00013 0.00010 0.00000 151 3PY 0.00000 -0.00008 -0.00022 -0.00003 -0.00002 152 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00002 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00002 0.00004 0.00001 0.00000 165 3PX 0.00000 0.00006 0.00032 0.00002 -0.00004 166 3PY 0.00000 0.00001 0.00005 0.00000 0.00000 167 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00026 0.00011 0.00012 0.00001 178 18 H 1S 0.00000 -0.00014 0.00000 0.00000 -0.00002 179 2S 0.00128 0.00093 0.00353 0.00007 0.00671 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 0.00016 -0.00013 0.00017 -0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00004 0.00000 0.00000 -0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 76 77 78 79 80 76 4XX 0.00104 77 4YY -0.00011 0.00294 78 4ZZ 0.00001 -0.00008 0.00079 79 4XY 0.00000 0.00000 0.00000 0.00161 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00045 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00010 0.00000 -0.00001 0.00003 0.00001 83 2S 0.00072 -0.00028 -0.00024 -0.00009 0.00002 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00002 0.00002 0.00000 0.00000 0.00000 105 3PX 0.00010 -0.00003 -0.00005 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00001 0.00000 0.00000 0.00001 120 3PX -0.00001 0.00002 0.00001 0.00000 0.00002 121 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00002 -0.00001 0.00000 0.00000 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00008 0.00005 0.00000 0.00004 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4YZ 0.00151 82 9 H 1S 0.00000 0.22350 83 2S 0.00001 0.11455 0.16576 84 10 C 1S 0.00000 0.00000 0.00000 2.05271 85 2S 0.00000 0.00000 0.00000 -0.01361 0.32497 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 -0.02960 0.20114 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00113 -0.00673 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00219 95 4ZZ 0.00000 0.00000 0.00000 -0.00128 -0.00379 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00058 100 2S 0.00000 0.00000 0.00000 -0.00054 0.01134 101 2PX 0.00000 0.00000 0.00000 -0.00131 0.02019 102 2PY 0.00000 0.00000 0.00000 -0.00068 0.00940 103 2PZ 0.00000 0.00000 0.00000 -0.00092 0.01358 104 3S 0.00000 0.00000 -0.00003 -0.00055 0.01144 105 3PX 0.00000 0.00000 -0.00003 -0.00101 0.01275 106 3PY 0.00000 0.00000 -0.00002 -0.00059 0.00678 107 3PZ 0.00000 0.00000 0.00000 -0.00032 0.00386 108 4XX 0.00000 0.00000 0.00000 -0.00004 0.00057 109 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00019 111 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 112 4XZ 0.00000 0.00000 0.00000 -0.00011 0.00116 113 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00066 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 116 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 119 3S 0.00000 0.00000 0.00002 0.00004 -0.00076 120 3PX -0.00001 0.00000 0.00001 0.00004 -0.00065 121 3PY 0.00001 0.00000 0.00001 0.00000 0.00004 122 3PZ 0.00000 0.00000 0.00002 0.00012 -0.00217 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 134 3S 0.00000 0.00000 0.00002 0.00002 -0.00039 135 3PX 0.00000 0.00000 0.00001 0.00000 -0.00005 136 3PY 0.00000 0.00000 0.00001 0.00001 -0.00022 137 3PZ 0.00000 0.00000 0.00002 0.00002 -0.00032 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 146 2PX 0.00000 0.00000 0.00000 0.00000 -0.00011 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00024 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 149 3S 0.00000 0.00000 -0.00003 0.00004 -0.00122 150 3PX 0.00000 0.00000 -0.00003 0.00004 -0.00090 151 3PY 0.00000 0.00000 -0.00002 0.00006 -0.00155 152 3PZ 0.00000 0.00000 0.00000 0.00003 -0.00048 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00003 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00047 160 2S 0.00000 0.00000 0.00000 -0.00047 0.00970 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00258 0.04008 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.00027 0.01148 165 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 -0.00172 0.02370 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00042 169 4YY 0.00000 0.00000 0.00000 -0.00026 0.00362 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 -0.00198 0.03084 175 2S 0.00000 0.00000 0.00000 -0.00120 0.01190 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 177 2S 0.00000 0.00000 0.00000 0.00019 -0.00267 178 18 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 179 2S 0.00000 0.00001 0.00025 0.00000 0.00015 180 19 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 181 2S 0.00000 0.00001 0.00025 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00013 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00017 185 2S 0.00000 0.00000 0.00000 0.00019 -0.00265 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00001 86 87 88 89 90 86 2PX 0.36895 87 2PY 0.00000 0.41338 88 2PZ 0.00000 0.00000 0.39021 89 3S 0.00000 0.00000 0.00000 0.25001 90 3PX 0.10335 0.00000 0.00000 0.00000 0.11994 91 3PY 0.00000 0.07886 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.09564 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00197 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00154 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00143 -0.00063 -0.00090 0.00070 -0.00061 100 2S 0.02090 0.00939 0.01263 0.00575 0.01222 101 2PX -0.00059 0.01795 0.03909 0.00747 0.00369 102 2PY 0.01830 -0.00035 0.00748 0.01241 0.00806 103 2PZ 0.03412 0.00936 0.00059 0.00721 0.01434 104 3S 0.02142 0.00593 0.01307 -0.01469 0.01145 105 3PX 0.00244 0.00818 0.02057 -0.00314 0.01827 106 3PY 0.00704 -0.00074 0.00274 0.00543 0.00361 107 3PZ 0.01526 0.00377 0.00259 0.00232 0.01265 108 4XX -0.00099 0.00080 0.00132 0.00122 -0.00161 109 4YY -0.00023 -0.00025 -0.00019 -0.00157 -0.00022 110 4ZZ 0.00033 0.00013 -0.00071 0.00062 0.00152 111 4XY 0.00030 -0.00003 0.00117 0.00021 0.00001 112 4XZ 0.00033 0.00096 0.00003 0.00039 -0.00002 113 4YZ 0.00117 -0.00002 0.00009 0.00021 0.00018 114 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 115 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 116 2PX 0.00000 0.00000 -0.00022 -0.00082 0.00015 117 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 118 2PZ -0.00032 0.00000 -0.00022 -0.00011 -0.00079 119 3S 0.00005 0.00002 -0.00378 0.00248 0.00383 120 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 121 3PY 0.00002 0.00013 0.00009 0.00010 -0.00003 122 3PZ -0.00313 0.00004 -0.00217 0.00150 -0.00198 123 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 124 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 125 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 130 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 131 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 132 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 133 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 134 3S -0.00025 -0.00036 -0.00017 -0.00468 -0.00148 135 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 136 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00157 137 3PZ 0.00017 -0.00075 -0.00016 -0.00523 -0.00028 138 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 145 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 146 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 147 2PY -0.00002 -0.00052 -0.00005 -0.00557 -0.00006 148 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 149 3S -0.00102 -0.00147 -0.00108 -0.00157 -0.00090 150 3PX -0.00004 -0.00125 -0.00095 0.00466 -0.00291 151 3PY -0.00010 0.00064 -0.00066 -0.00669 0.00028 152 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 153 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 154 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 155 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 156 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 157 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 158 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 159 15 C 1S 0.00000 -0.00258 0.00000 -0.00027 0.00000 160 2S 0.00000 0.04008 0.00000 0.01147 0.00000 161 2PX 0.01116 0.00000 0.00000 0.00000 0.01910 162 2PY 0.00000 0.09681 0.00000 0.03099 0.00000 163 2PZ 0.00000 0.00000 0.00839 -0.00001 0.00000 164 3S 0.00000 0.03097 0.00001 -0.00963 0.00000 165 3PX 0.01911 0.00000 0.00000 0.00000 0.02602 166 3PY 0.00000 0.01764 0.00000 0.00846 -0.00001 167 3PZ 0.00000 0.00001 0.01654 -0.00001 0.00000 168 4XX 0.00000 -0.00106 0.00000 -0.00148 0.00000 169 4YY 0.00000 0.00223 0.00000 0.00401 0.00000 170 4ZZ 0.00000 -0.00112 0.00000 -0.00135 0.00000 171 4XY 0.00201 0.00000 0.00000 0.00000 0.00097 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00210 0.00000 0.00000 174 16 H 1S 0.02438 0.02398 0.04953 0.04347 0.00829 175 2S 0.01603 0.01551 0.03428 0.03824 0.00518 176 17 H 1S -0.00019 -0.00048 -0.00007 -0.00450 -0.00158 177 2S -0.00255 -0.00652 -0.00039 -0.01535 -0.00581 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 179 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 181 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 182 20 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 183 2S 0.00003 0.00051 0.00001 0.00219 0.00018 184 21 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 185 2S -0.00091 -0.00840 -0.00152 -0.01700 0.00059 186 22 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 187 2S 0.00013 0.00000 -0.00054 -0.00080 0.00059 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 189 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 91 92 93 94 95 91 3PY 0.06235 92 3PZ 0.00000 0.09323 93 4XX 0.00000 0.00000 0.00092 94 4YY 0.00000 0.00000 -0.00008 0.00114 95 4ZZ 0.00000 0.00000 0.00007 -0.00007 0.00089 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00036 0.00034 -0.00003 0.00001 0.00000 100 2S 0.00250 0.00197 0.00050 -0.00046 0.00001 101 2PX 0.01212 0.01591 -0.00076 -0.00033 0.00041 102 2PY 0.00130 0.00065 0.00066 -0.00027 0.00025 103 2PZ 0.00370 0.00349 0.00099 -0.00033 -0.00055 104 3S 0.00032 0.00072 0.00112 -0.00075 -0.00045 105 3PX 0.01059 0.01513 -0.00122 0.00008 0.00087 106 3PY 0.00089 -0.00047 0.00038 -0.00056 -0.00013 107 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 108 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 109 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 110 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 111 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 112 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 113 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 114 12 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 115 2S -0.00004 -0.00177 0.00000 0.00000 0.00001 116 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 117 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 118 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 119 3S -0.00019 -0.00949 0.00010 -0.00012 0.00019 120 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 121 3PY 0.00105 0.00014 0.00000 0.00000 -0.00001 122 3PZ -0.00017 0.00127 0.00004 -0.00015 0.00050 123 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 125 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 128 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 130 2S -0.00018 -0.00043 0.00000 0.00000 0.00000 131 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 132 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 133 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 134 3S -0.00259 -0.00056 -0.00002 0.00003 0.00003 135 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 136 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 137 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 138 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 140 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 141 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 143 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 145 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 146 2PX 0.00142 0.00025 0.00000 0.00001 0.00000 147 2PY -0.00578 0.00006 0.00000 0.00006 0.00000 148 2PZ -0.00046 -0.00044 0.00000 0.00002 0.00000 149 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 150 3PX 0.00393 -0.00051 0.00010 -0.00006 -0.00002 151 3PY -0.00163 -0.00011 0.00004 0.00012 0.00000 152 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 153 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 154 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 155 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 156 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00172 0.00000 0.00000 -0.00026 0.00000 160 2S 0.02368 0.00000 -0.00042 0.00361 -0.00047 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01764 -0.00001 -0.00106 0.00223 -0.00112 163 2PZ 0.00000 0.01656 0.00000 0.00000 0.00000 164 3S 0.00843 0.00001 -0.00148 0.00401 -0.00135 165 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00146 0.00000 -0.00163 0.00113 -0.00110 167 3PZ 0.00000 0.02466 0.00000 0.00000 0.00000 168 4XX -0.00162 0.00000 0.00001 -0.00004 0.00001 169 4YY 0.00113 0.00000 -0.00004 -0.00008 -0.00004 170 4ZZ -0.00110 0.00000 0.00001 -0.00004 0.00002 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00084 0.00000 0.00000 0.00000 174 16 H 1S 0.00998 0.02194 -0.00039 -0.00082 0.00160 175 2S 0.00737 0.02136 0.00026 -0.00135 0.00255 176 17 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 177 2S -0.00204 -0.00017 -0.00025 0.00097 -0.00025 178 18 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 179 2S 0.00048 0.00247 -0.00001 0.00000 -0.00001 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00040 -0.00009 0.00000 0.00000 0.00000 182 20 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 183 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 184 21 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 185 2S -0.01421 -0.00032 0.00011 -0.00017 0.00014 186 22 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 187 2S -0.00011 -0.00405 0.00002 0.00000 -0.00004 188 23 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 189 2S -0.00030 0.00142 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00000 0.00067 98 4YZ 0.00000 0.00000 0.00117 99 11 C 1S -0.00009 -0.00009 -0.00007 2.05498 100 2S 0.00084 0.00096 0.00068 -0.01344 0.32634 101 2PX 0.00020 0.00031 0.00124 0.00000 0.00000 102 2PY -0.00002 0.00105 -0.00001 0.00000 0.00000 103 2PZ 0.00121 -0.00005 0.00005 0.00000 0.00000 104 3S 0.00046 0.00026 0.00036 -0.03644 0.23607 105 3PX 0.00000 -0.00001 0.00030 0.00000 0.00000 106 3PY 0.00002 0.00009 0.00001 0.00000 0.00000 107 3PZ 0.00025 0.00002 0.00004 0.00000 0.00000 108 4XX 0.00000 0.00000 -0.00007 -0.00090 -0.00921 109 4YY 0.00000 -0.00010 0.00000 -0.00145 0.00112 110 4ZZ -0.00010 0.00001 -0.00002 -0.00111 -0.00518 111 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 112 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 115 2S 0.00000 0.00001 0.00000 -0.00020 0.00510 116 2PX 0.00000 0.00001 0.00000 -0.00009 0.00177 117 2PY 0.00000 0.00000 0.00000 -0.00019 0.00370 118 2PZ 0.00000 0.00005 0.00000 -0.00117 0.02399 119 3S 0.00000 0.00008 -0.00001 0.00013 0.00692 120 3PX 0.00000 0.00001 0.00000 -0.00008 0.00180 121 3PY -0.00003 0.00000 -0.00001 -0.00024 0.00224 122 3PZ -0.00001 0.00018 0.00000 -0.00127 0.01981 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00030 124 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 125 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00166 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00007 127 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00039 128 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00082 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 134 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00058 135 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00008 136 3PY 0.00000 -0.00002 0.00001 0.00009 -0.00203 137 3PZ -0.00003 0.00000 -0.00001 0.00000 -0.00047 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00002 0.00000 0.00001 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00005 0.00000 0.00000 147 2PY 0.00006 0.00000 0.00002 0.00000 -0.00007 148 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 149 3S 0.00014 0.00000 0.00009 0.00007 -0.00089 150 3PX 0.00001 0.00000 0.00018 0.00000 0.00000 151 3PY 0.00014 0.00001 0.00006 0.00011 -0.00067 152 3PZ 0.00012 0.00000 0.00002 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 161 2PX 0.00201 0.00000 0.00000 0.00000 -0.00001 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 163 2PZ 0.00000 0.00000 0.00210 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 -0.00002 -0.00118 165 3PX 0.00097 0.00000 0.00000 -0.00006 0.00040 166 3PY 0.00000 0.00000 0.00000 0.00010 -0.00274 167 3PZ 0.00000 0.00000 0.00085 -0.00004 -0.00007 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY -0.00012 0.00000 0.00000 0.00000 0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 -0.00022 0.00000 0.00001 174 16 H 1S 0.00113 0.00172 0.00226 0.00000 -0.00020 175 2S 0.00027 0.00030 0.00052 0.00026 -0.00342 176 17 H 1S 0.00004 -0.00001 0.00002 -0.00196 0.03098 177 2S 0.00009 -0.00008 0.00007 -0.00121 0.01238 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 179 2S 0.00000 0.00000 0.00000 0.00020 -0.00287 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00009 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 0.00000 0.00000 0.00000 0.00002 184 21 H 1S 0.00003 0.00000 0.00005 0.00000 0.00000 185 2S 0.00012 0.00000 0.00026 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 187 2S 0.00000 -0.00001 -0.00001 0.00018 -0.00332 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00006 101 102 103 104 105 101 2PX 0.35439 102 2PY 0.00000 0.41152 103 2PZ 0.00000 0.00000 0.38402 104 3S 0.00000 0.00000 0.00000 0.30042 105 3PX 0.11192 0.00000 0.00000 0.00000 0.12493 106 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09696 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00012 -0.00023 -0.00095 -0.00008 -0.00013 115 2S 0.00226 0.00422 0.01885 0.00439 0.00144 116 2PX 0.00002 0.00094 0.00651 0.00233 0.00001 117 2PY 0.00070 -0.00062 0.01253 0.00316 0.00032 118 2PZ 0.00793 0.01385 0.04488 0.02221 0.00380 119 3S 0.00566 0.00979 0.01745 0.00013 0.00759 120 3PX -0.00001 0.00068 0.00366 0.00181 -0.00075 121 3PY 0.00058 0.00036 0.00757 0.00224 0.00009 122 3PZ 0.00426 0.00819 0.01551 0.01208 0.00264 123 4XX 0.00003 -0.00007 -0.00038 -0.00096 -0.00026 124 4YY -0.00003 -0.00005 -0.00029 -0.00038 -0.00014 125 4ZZ 0.00058 0.00107 0.00023 0.00238 0.00065 126 4XY 0.00004 0.00001 0.00021 0.00004 0.00005 127 4XZ 0.00047 0.00020 0.00058 0.00013 0.00053 128 4YZ 0.00023 0.00006 0.00129 0.00035 0.00005 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S 0.00000 -0.00008 -0.00005 -0.00040 -0.00010 131 2PX 0.00000 -0.00001 0.00000 -0.00011 -0.00004 132 2PY 0.00000 -0.00027 -0.00017 -0.00123 -0.00020 133 2PZ 0.00000 -0.00004 -0.00006 0.00017 -0.00019 134 3S -0.00039 -0.00335 0.00006 -0.00142 -0.00184 135 3PX 0.00020 -0.00018 0.00002 -0.00034 0.00051 136 3PY -0.00020 -0.00449 -0.00131 -0.00425 -0.00084 137 3PZ -0.00018 -0.00024 -0.00028 0.00049 -0.00062 138 4XX 0.00000 0.00000 0.00000 0.00001 0.00001 139 4YY 0.00000 0.00001 0.00000 0.00002 0.00003 140 4ZZ 0.00000 -0.00001 0.00000 -0.00002 -0.00004 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 142 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 143 4YZ 0.00000 0.00003 0.00002 0.00005 0.00002 144 14 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 145 2S 0.00000 -0.00007 0.00000 -0.00089 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00148 147 2PY 0.00000 -0.00020 0.00000 -0.00117 0.00000 148 2PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 149 3S 0.00000 -0.00117 0.00000 -0.00468 0.00000 150 3PX -0.00148 0.00000 0.00000 0.00000 -0.00749 151 3PY 0.00000 0.00120 0.00000 -0.00137 0.00000 152 3PZ 0.00000 0.00000 -0.00097 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 154 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00011 -0.00024 -0.00005 -0.00122 -0.00089 161 2PX 0.00001 -0.00002 -0.00006 -0.00102 -0.00004 162 2PY -0.00025 -0.00053 -0.00010 -0.00148 -0.00124 163 2PZ -0.00008 -0.00005 0.00000 -0.00108 -0.00095 164 3S 0.00136 -0.00557 0.00025 -0.00157 0.00466 165 3PX -0.00041 -0.00005 -0.00025 -0.00090 -0.00294 166 3PY 0.00143 -0.00580 -0.00045 -0.00347 0.00395 167 3PZ 0.00025 0.00007 -0.00044 -0.00043 -0.00052 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00010 169 4YY 0.00001 0.00006 0.00002 0.00009 -0.00006 170 4ZZ 0.00000 0.00000 0.00000 0.00005 -0.00002 171 4XY 0.00000 0.00006 0.00004 0.00014 0.00001 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00005 0.00002 0.00000 0.00009 0.00018 174 16 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 175 2S -0.00577 0.00001 -0.00551 -0.01509 -0.01064 176 17 H 1S 0.00105 0.09691 0.00071 0.04240 0.00025 177 2S 0.00024 0.06456 0.00050 0.02341 -0.00063 178 18 H 1S -0.00026 0.00000 -0.00029 -0.00230 -0.00206 179 2S -0.00585 -0.00011 -0.00246 -0.01152 -0.01244 180 19 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 181 2S 0.00011 0.00014 0.00006 0.00041 0.00088 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00006 0.00000 0.00020 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 185 2S 0.00023 0.00019 0.00011 0.00169 0.00167 186 22 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 187 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 188 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 189 2S 0.00001 0.00010 0.00023 0.00004 0.00006 106 107 108 109 110 106 3PY 0.05320 107 3PZ 0.00000 0.09658 108 4XX 0.00000 0.00000 0.00149 109 4YY 0.00000 0.00000 -0.00017 0.00186 110 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00030 -0.00056 0.00000 0.00001 -0.00008 115 2S 0.00326 0.01094 -0.00025 -0.00028 0.00173 116 2PX 0.00013 0.00152 0.00003 -0.00004 0.00057 117 2PY -0.00169 0.00721 -0.00003 -0.00005 0.00112 118 2PZ 0.00266 0.01201 -0.00056 -0.00047 -0.00015 119 3S 0.00648 -0.00034 -0.00076 -0.00148 0.00324 120 3PX -0.00003 0.00123 -0.00020 -0.00007 0.00038 121 3PY -0.00188 0.00560 -0.00013 -0.00035 0.00081 122 3PZ 0.00064 0.00191 -0.00046 -0.00095 0.00011 123 4XX 0.00001 0.00004 0.00002 -0.00001 0.00000 124 4YY -0.00033 -0.00006 0.00000 0.00002 -0.00008 125 4ZZ 0.00047 -0.00049 -0.00005 -0.00006 0.00007 126 4XY 0.00002 0.00003 0.00000 0.00000 0.00001 127 4XZ 0.00001 0.00015 0.00000 -0.00001 -0.00007 128 4YZ 0.00023 0.00018 -0.00002 0.00000 -0.00007 129 13 C 1S 0.00005 0.00002 0.00000 0.00000 0.00000 130 2S -0.00095 -0.00046 0.00000 0.00001 0.00000 131 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 132 2PY -0.00107 -0.00158 0.00000 0.00005 -0.00001 133 2PZ 0.00178 -0.00044 0.00000 0.00000 0.00000 134 3S -0.00547 0.00200 -0.00002 0.00026 -0.00011 135 3PX -0.00015 0.00022 0.00000 0.00001 0.00000 136 3PY -0.00384 -0.00215 -0.00003 0.00058 -0.00029 137 3PZ 0.00275 -0.00015 -0.00003 0.00000 0.00001 138 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00004 -0.00010 0.00000 0.00000 0.00000 140 4ZZ 0.00006 0.00006 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 143 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 144 14 C 1S 0.00011 0.00000 0.00000 0.00000 0.00000 145 2S -0.00067 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00120 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00097 0.00000 0.00000 0.00000 149 3S -0.00139 0.00000 0.00001 0.00002 0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00481 0.00000 -0.00001 -0.00005 0.00001 152 3PZ 0.00000 -0.00447 0.00000 0.00000 0.00000 153 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 154 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 159 15 C 1S 0.00006 0.00003 0.00000 0.00000 0.00000 160 2S -0.00155 -0.00048 0.00000 0.00003 0.00000 161 2PX -0.00011 -0.00103 -0.00001 0.00001 0.00001 162 2PY 0.00064 -0.00151 -0.00001 0.00014 -0.00001 163 2PZ -0.00066 -0.00021 0.00001 0.00000 0.00000 164 3S -0.00670 -0.00143 -0.00002 0.00046 -0.00017 165 3PX 0.00026 -0.00241 -0.00013 0.00005 0.00010 166 3PY -0.00165 -0.00328 -0.00004 0.00070 -0.00027 167 3PZ -0.00011 -0.00242 0.00017 -0.00004 -0.00007 168 4XX 0.00004 -0.00007 0.00000 0.00000 0.00000 169 4YY 0.00012 0.00006 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 171 4XY 0.00014 0.00012 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00006 0.00002 0.00000 0.00000 0.00000 174 16 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 175 2S -0.00027 -0.00393 0.00015 -0.00035 0.00070 176 17 H 1S 0.04296 0.00018 -0.00103 0.00754 -0.00119 177 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 178 18 H 1S 0.00009 0.00033 0.00003 0.00000 0.00001 179 2S -0.00013 0.00543 0.00057 -0.00014 -0.00023 180 19 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 181 2S -0.00025 -0.00009 0.00000 -0.00001 0.00001 182 20 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 183 2S -0.00016 0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 185 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 186 22 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 187 2S 0.00030 -0.01807 -0.00008 -0.00012 0.00070 188 23 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 189 2S -0.00015 0.00192 0.00001 -0.00002 0.00000 111 112 113 114 115 111 4XY 0.00042 112 4XZ 0.00000 0.00069 113 4YZ 0.00000 0.00000 0.00065 114 12 C 1S 0.00000 -0.00002 -0.00004 2.05092 115 2S 0.00008 0.00027 0.00071 -0.01170 0.30682 116 2PX 0.00002 0.00055 0.00018 0.00000 0.00000 117 2PY 0.00000 0.00016 0.00007 0.00000 0.00000 118 2PZ 0.00023 0.00037 0.00126 0.00000 0.00000 119 3S 0.00007 0.00015 0.00037 -0.03425 0.22723 120 3PX 0.00002 0.00045 0.00004 0.00000 0.00000 121 3PY 0.00000 0.00003 0.00015 0.00000 0.00000 122 3PZ 0.00007 0.00003 0.00018 0.00000 0.00000 123 4XX 0.00000 0.00000 -0.00003 -0.00141 0.00014 124 4YY 0.00000 -0.00001 0.00000 -0.00123 -0.00365 125 4ZZ 0.00000 -0.00001 -0.00002 -0.00129 -0.00250 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00001 -0.00005 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 130 2S 0.00000 0.00000 0.00001 -0.00013 0.00349 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00005 -0.00105 0.02291 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00006 0.00028 0.00260 135 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 136 3PY 0.00001 -0.00001 0.00017 -0.00147 0.02051 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 139 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 140 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 149 3S 0.00000 0.00000 0.00000 0.00002 -0.00040 150 3PX -0.00002 0.00000 0.00000 0.00001 -0.00009 151 3PY 0.00000 0.00000 0.00000 0.00005 -0.00095 152 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00046 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00001 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 162 2PY 0.00006 -0.00001 0.00004 0.00000 0.00000 163 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 164 3S 0.00008 -0.00002 0.00005 0.00001 -0.00036 165 3PX 0.00000 -0.00001 0.00005 0.00000 0.00006 166 3PY 0.00010 -0.00001 0.00006 0.00001 -0.00018 167 3PZ 0.00004 0.00001 0.00000 0.00001 -0.00042 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00005 0.00000 0.00000 0.00000 175 2S -0.00002 0.00009 -0.00002 0.00000 0.00008 176 17 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00013 177 2S 0.00002 0.00000 0.00001 0.00016 -0.00247 178 18 H 1S 0.00000 0.00008 0.00000 -0.00170 0.02784 179 2S -0.00001 0.00030 -0.00002 -0.00043 0.00951 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 181 2S 0.00000 0.00000 0.00000 0.00009 -0.00166 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00006 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00002 0.00000 -0.00166 0.02733 187 2S 0.00000 0.00008 -0.00003 -0.00064 0.00994 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S 0.00000 0.00000 -0.00001 0.00013 -0.00208 116 117 118 119 120 116 2PX 0.41186 117 2PY 0.00000 0.38125 118 2PZ 0.00000 0.00000 0.38896 119 3S 0.00000 0.00000 0.00000 0.30206 120 3PX 0.10595 0.00000 0.00000 0.00000 0.08586 121 3PY 0.00000 0.09887 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 130 2S 0.00000 0.02291 0.00000 0.00260 0.00000 131 2PX -0.00005 0.00000 0.00000 0.00000 -0.00093 132 2PY 0.00000 0.07729 0.00000 0.02762 0.00000 133 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 134 3S 0.00000 0.02763 0.00000 -0.01566 0.00000 135 3PX -0.00094 0.00000 0.00000 0.00000 -0.00257 136 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 137 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 138 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 139 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 140 4ZZ 0.00000 -0.00064 0.00000 -0.00123 0.00000 141 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00011 -0.00004 -0.00058 -0.00008 146 2PX 0.00000 0.00000 0.00000 -0.00039 0.00020 147 2PY -0.00001 -0.00027 -0.00004 -0.00336 -0.00018 148 2PZ 0.00000 -0.00017 -0.00006 0.00006 0.00002 149 3S -0.00011 -0.00123 0.00017 -0.00142 -0.00033 150 3PX -0.00005 -0.00020 -0.00019 -0.00183 0.00051 151 3PY 0.00000 -0.00108 0.00177 -0.00547 -0.00014 152 3PZ 0.00006 -0.00158 -0.00044 0.00200 0.00022 153 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 154 4YY 0.00000 0.00005 0.00000 0.00026 0.00001 155 4ZZ 0.00000 -0.00001 0.00000 -0.00011 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 158 4YZ 0.00000 0.00005 0.00000 0.00006 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 160 2S 0.00000 0.00000 -0.00001 -0.00039 -0.00005 161 2PX 0.00000 -0.00002 0.00001 -0.00025 0.00000 162 2PY 0.00000 0.00001 -0.00002 -0.00037 -0.00004 163 2PZ -0.00001 0.00000 -0.00002 -0.00016 -0.00005 164 3S -0.00014 -0.00023 -0.00137 -0.00468 -0.00064 165 3PX 0.00004 -0.00038 -0.00006 -0.00148 0.00000 166 3PY -0.00033 0.00008 -0.00076 -0.00260 -0.00082 167 3PZ -0.00003 0.00010 -0.00116 -0.00055 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00002 -0.00001 169 4YY 0.00000 0.00000 0.00000 0.00003 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00001 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 173 4YZ 0.00000 0.00000 0.00000 -0.00004 -0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 175 2S 0.00009 0.00001 0.00033 0.00142 0.00048 176 17 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 177 2S -0.00020 -0.00445 -0.00432 -0.01622 -0.00051 178 18 H 1S 0.07933 0.01257 0.00669 0.03034 0.05116 179 2S 0.05033 0.00745 0.00401 -0.00479 0.04891 180 19 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 181 2S -0.00196 -0.00463 -0.00003 -0.00091 -0.00407 182 20 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 183 2S 0.00000 0.00029 0.00004 0.00130 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 186 22 H 1S 0.04263 0.00969 0.04457 0.03402 0.02644 187 2S 0.02848 0.00582 0.02894 0.01333 0.02781 188 23 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00055 189 2S -0.00121 -0.00487 -0.00081 -0.00792 -0.00243 121 122 123 124 125 121 3PY 0.08589 122 3PZ 0.00000 0.09072 123 4XX 0.00000 0.00000 0.00114 124 4YY 0.00000 0.00000 -0.00011 0.00121 125 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 130 2S 0.02052 0.00000 -0.00023 0.00250 -0.00022 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 133 2PZ 0.00000 -0.00123 0.00000 0.00000 0.00000 134 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.01442 0.00001 -0.00111 0.00189 -0.00167 137 3PZ -0.00001 -0.00415 0.00000 0.00000 0.00000 138 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 140 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 144 14 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 145 2S -0.00203 -0.00047 0.00000 0.00000 0.00000 146 2PX -0.00019 -0.00017 0.00000 0.00000 0.00000 147 2PY -0.00451 -0.00023 0.00000 0.00001 -0.00001 148 2PZ -0.00131 -0.00028 0.00000 0.00000 0.00000 149 3S -0.00425 0.00049 0.00001 0.00002 -0.00002 150 3PX -0.00083 -0.00061 0.00001 0.00003 -0.00004 151 3PY -0.00386 0.00274 -0.00005 0.00004 0.00006 152 3PZ -0.00215 -0.00014 0.00000 -0.00010 0.00006 153 4XX -0.00003 -0.00003 0.00000 0.00000 0.00000 154 4YY 0.00058 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00029 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00017 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00002 0.00000 0.00000 0.00000 160 2S -0.00022 -0.00032 0.00000 0.00000 0.00000 161 2PX -0.00053 0.00017 0.00000 0.00000 0.00000 162 2PY 0.00010 -0.00076 0.00000 0.00000 0.00000 163 2PZ 0.00006 -0.00016 0.00000 0.00000 0.00000 164 3S -0.00149 -0.00522 0.00004 0.00001 -0.00005 165 3PX -0.00158 -0.00027 0.00001 0.00001 -0.00002 166 3PY 0.00001 -0.00250 0.00003 0.00003 -0.00009 167 3PZ 0.00079 -0.00210 0.00004 -0.00005 0.00001 168 4XX -0.00003 0.00001 0.00000 0.00000 0.00000 169 4YY 0.00004 -0.00002 0.00000 0.00000 0.00000 170 4ZZ -0.00002 0.00003 0.00000 0.00000 0.00000 171 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 172 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00001 -0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 175 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 176 17 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 177 2S -0.00526 -0.00974 -0.00003 0.00065 -0.00038 178 18 H 1S 0.00789 0.00546 0.00438 -0.00078 -0.00093 179 2S 0.00648 0.00406 0.00431 -0.00101 -0.00231 180 19 H 1S -0.00277 -0.00020 0.00000 0.00002 0.00000 181 2S -0.00869 -0.00032 -0.00005 -0.00016 0.00020 182 20 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 183 2S 0.00301 0.00018 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 186 22 H 1S 0.00711 0.02917 0.00062 -0.00087 0.00099 187 2S 0.00657 0.02844 0.00050 -0.00155 0.00172 188 23 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 189 2S -0.00759 -0.00160 0.00013 -0.00003 0.00003 126 127 128 129 130 126 4XY 0.00096 127 4XZ 0.00000 0.00130 128 4YZ 0.00000 0.00000 0.00091 129 13 C 1S 0.00000 0.00000 0.00000 2.05092 130 2S 0.00000 0.00000 0.00000 -0.01170 0.30682 131 2PX 0.00114 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00104 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03425 0.22725 135 3PX 0.00074 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00072 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 139 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 140 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 141 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 145 2S 0.00000 0.00000 0.00001 -0.00019 0.00510 146 2PX 0.00000 0.00000 0.00000 -0.00012 0.00224 147 2PY 0.00000 0.00000 0.00003 -0.00024 0.00425 148 2PZ 0.00000 0.00000 0.00002 -0.00094 0.01883 149 3S 0.00001 0.00000 0.00005 -0.00008 0.00439 150 3PX 0.00002 -0.00002 0.00002 -0.00013 0.00143 151 3PY 0.00000 0.00000 0.00002 -0.00030 0.00328 152 3PZ 0.00001 -0.00001 0.00006 -0.00056 0.01093 153 4XX 0.00000 0.00000 0.00000 0.00000 -0.00025 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 155 4ZZ 0.00000 0.00000 0.00000 -0.00008 0.00172 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00008 157 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00027 158 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00072 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 161 2PX 0.00000 0.00000 0.00000 0.00000 -0.00005 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00015 164 3S -0.00001 0.00000 0.00001 0.00002 -0.00042 165 3PX 0.00000 0.00001 0.00000 0.00001 0.00002 166 3PY 0.00001 0.00001 0.00001 0.00000 -0.00003 167 3PZ -0.00001 -0.00002 0.00003 0.00012 -0.00177 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 177 2S 0.00001 -0.00001 0.00010 0.00000 0.00006 178 18 H 1S 0.00196 0.00104 0.00021 0.00000 -0.00011 179 2S 0.00042 0.00029 0.00003 0.00009 -0.00166 180 19 H 1S 0.00005 0.00000 0.00000 -0.00170 0.02785 181 2S 0.00028 -0.00001 0.00002 -0.00043 0.00951 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 183 2S 0.00000 0.00000 -0.00001 0.00016 -0.00247 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00008 186 22 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00013 187 2S 0.00021 0.00078 0.00021 0.00013 -0.00208 188 23 H 1S 0.00003 0.00000 0.00003 -0.00166 0.02734 189 2S 0.00017 -0.00003 0.00015 -0.00064 0.00994 131 132 133 134 135 131 2PX 0.41189 132 2PY 0.00000 0.38123 133 2PZ 0.00000 0.00000 0.38896 134 3S 0.00000 0.00000 0.00000 0.30211 135 3PX 0.10594 0.00000 0.00000 0.00000 0.08584 136 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00324 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00009 -0.00019 -0.00117 0.00013 -0.00008 145 2S 0.00176 0.00373 0.02396 0.00691 0.00178 146 2PX 0.00003 0.00070 0.00787 0.00562 0.00000 147 2PY 0.00094 -0.00061 0.01395 0.00985 0.00068 148 2PZ 0.00645 0.01262 0.04478 0.01742 0.00363 149 3S 0.00231 0.00319 0.02221 0.00013 0.00179 150 3PX 0.00002 0.00032 0.00378 0.00755 -0.00074 151 3PY 0.00013 -0.00170 0.00270 0.00650 -0.00003 152 3PZ 0.00150 0.00726 0.01199 -0.00032 0.00122 153 4XX 0.00003 -0.00003 -0.00056 -0.00076 -0.00020 154 4YY -0.00004 -0.00005 -0.00046 -0.00147 -0.00007 155 4ZZ 0.00057 0.00113 -0.00015 0.00324 0.00038 156 4XY 0.00002 0.00000 0.00023 0.00007 0.00002 157 4XZ 0.00055 0.00016 0.00036 0.00015 0.00045 158 4YZ 0.00018 0.00007 0.00127 0.00038 0.00004 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00007 0.00000 -0.00017 -0.00076 -0.00064 161 2PX 0.00000 0.00000 -0.00033 0.00005 0.00002 162 2PY 0.00000 0.00000 0.00000 0.00002 -0.00002 163 2PZ -0.00022 0.00000 -0.00022 -0.00379 -0.00115 164 3S -0.00083 -0.00002 -0.00011 0.00249 -0.00096 165 3PX 0.00015 -0.00002 -0.00079 0.00384 0.00004 166 3PY -0.00008 0.00019 -0.00014 -0.00018 -0.00013 167 3PZ -0.00219 0.00001 0.00070 -0.00951 -0.00300 168 4XX 0.00000 0.00000 0.00001 0.00010 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00012 -0.00003 170 4ZZ 0.00002 0.00000 0.00006 0.00018 0.00015 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00005 0.00008 0.00001 173 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 176 17 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 177 2S 0.00000 0.00029 0.00004 0.00130 0.00003 178 18 H 1S -0.00012 -0.00032 0.00000 -0.00121 -0.00112 179 2S -0.00196 -0.00464 -0.00003 -0.00089 -0.00407 180 19 H 1S 0.07932 0.01251 0.00677 0.03034 0.05113 181 2S 0.05032 0.00742 0.00406 -0.00476 0.04889 182 20 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 183 2S -0.00020 -0.00447 -0.00431 -0.01623 -0.00051 184 21 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 185 2S 0.00009 0.00001 0.00033 0.00142 0.00047 186 22 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 187 2S -0.00121 -0.00487 -0.00080 -0.00794 -0.00243 188 23 H 1S 0.04272 0.00964 0.04453 0.03402 0.02650 189 2S 0.02854 0.00579 0.02891 0.01331 0.02786 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00000 0.09075 138 4XX 0.00000 0.00000 0.00113 139 4YY 0.00000 0.00000 -0.00011 0.00121 140 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00024 -0.00127 0.00000 0.00000 -0.00007 145 2S 0.00227 0.01979 -0.00030 -0.00018 0.00165 146 2PX 0.00058 0.00423 0.00003 -0.00003 0.00057 147 2PY 0.00033 0.00825 -0.00008 -0.00006 0.00108 148 2PZ 0.00763 0.01547 -0.00039 -0.00029 0.00022 149 3S 0.00226 0.01205 -0.00097 -0.00038 0.00238 150 3PX 0.00009 0.00262 -0.00026 -0.00014 0.00065 151 3PY -0.00190 0.00066 0.00001 -0.00034 0.00048 152 3PZ 0.00564 0.00189 0.00003 -0.00005 -0.00049 153 4XX -0.00013 -0.00046 0.00002 0.00000 -0.00005 154 4YY -0.00036 -0.00094 -0.00001 0.00002 -0.00006 155 4ZZ 0.00082 0.00011 0.00000 -0.00008 0.00007 156 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 157 4XZ 0.00003 0.00003 0.00000 -0.00001 -0.00001 158 4YZ 0.00015 0.00018 -0.00003 0.00000 -0.00002 159 15 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 160 2S 0.00003 -0.00216 0.00000 0.00000 0.00000 161 2PX 0.00002 -0.00313 0.00000 0.00000 0.00004 162 2PY 0.00013 0.00004 0.00000 0.00000 0.00000 163 2PZ 0.00009 -0.00216 0.00002 0.00000 -0.00001 164 3S 0.00009 0.00151 0.00006 -0.00007 0.00005 165 3PX -0.00002 -0.00198 -0.00008 -0.00007 0.00033 166 3PY 0.00105 -0.00016 0.00001 0.00000 -0.00001 167 3PZ 0.00013 0.00127 0.00026 -0.00002 -0.00022 168 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00015 0.00000 0.00000 0.00000 170 4ZZ -0.00001 0.00050 0.00000 0.00000 0.00000 171 4XY -0.00003 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00018 0.00000 0.00000 0.00000 173 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 176 17 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 177 2S 0.00301 0.00018 0.00000 0.00000 0.00000 178 18 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 179 2S -0.00870 -0.00031 -0.00005 -0.00015 0.00020 180 19 H 1S 0.00785 0.00552 0.00438 -0.00079 -0.00093 181 2S 0.00644 0.00410 0.00431 -0.00102 -0.00230 182 20 H 1S -0.00098 -0.00282 0.00000 0.00004 -0.00001 183 2S -0.00528 -0.00971 -0.00003 0.00065 -0.00038 184 21 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 185 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 186 22 H 1S -0.00203 -0.00076 0.00000 0.00003 0.00000 187 2S -0.00760 -0.00159 0.00013 -0.00003 0.00003 188 23 H 1S 0.00708 0.02915 0.00063 -0.00087 0.00098 189 2S 0.00654 0.02842 0.00050 -0.00155 0.00172 141 142 143 144 145 141 4XY 0.00095 142 4XZ 0.00000 0.00130 143 4YZ 0.00000 0.00000 0.00091 144 14 C 1S 0.00000 -0.00002 -0.00005 2.05499 145 2S 0.00007 0.00038 0.00083 -0.01343 0.32633 146 2PX 0.00004 0.00047 0.00023 0.00000 0.00000 147 2PY 0.00000 0.00020 0.00005 0.00000 0.00000 148 2PZ 0.00021 0.00058 0.00129 0.00000 0.00000 149 3S 0.00004 0.00013 0.00035 -0.03646 0.23617 150 3PX 0.00006 0.00054 0.00005 0.00000 0.00000 151 3PY 0.00001 0.00001 0.00023 0.00000 0.00000 152 3PZ 0.00003 0.00015 0.00018 0.00000 0.00000 153 4XX 0.00000 0.00000 -0.00002 -0.00090 -0.00921 154 4YY 0.00000 -0.00001 0.00000 -0.00145 0.00112 155 4ZZ 0.00001 -0.00007 -0.00007 -0.00111 -0.00519 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00002 -0.00005 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00054 160 2S 0.00000 0.00001 0.00000 -0.00058 0.01133 161 2PX 0.00000 -0.00001 0.00000 -0.00143 0.02095 162 2PY 0.00000 0.00000 0.00000 -0.00062 0.00932 163 2PZ 0.00000 0.00008 0.00000 -0.00090 0.01263 164 3S 0.00000 0.00006 0.00000 0.00070 0.00573 165 3PX 0.00000 -0.00006 0.00000 -0.00061 0.01225 166 3PY -0.00002 0.00001 -0.00005 -0.00036 0.00248 167 3PZ 0.00000 0.00029 0.00000 0.00035 0.00195 168 4XX 0.00000 0.00000 0.00000 -0.00003 0.00051 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00046 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 172 4XZ 0.00000 0.00000 0.00000 -0.00009 0.00097 173 4YZ 0.00000 0.00000 0.00000 -0.00007 0.00068 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00013 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 178 18 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 179 2S 0.00028 -0.00001 0.00002 0.00000 0.00009 180 19 H 1S 0.00195 0.00105 0.00021 0.00000 -0.00015 181 2S 0.00042 0.00029 0.00003 0.00020 -0.00288 182 20 H 1S 0.00000 0.00000 0.00004 -0.00196 0.03098 183 2S 0.00001 -0.00001 0.00010 -0.00121 0.01237 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 185 2S 0.00000 -0.00001 0.00000 0.00026 -0.00341 186 22 H 1S 0.00003 0.00000 0.00003 0.00000 0.00000 187 2S 0.00017 -0.00003 0.00015 0.00000 0.00006 188 23 H 1S 0.00086 0.00338 0.00098 0.00000 -0.00019 189 2S 0.00021 0.00078 0.00021 0.00018 -0.00333 146 147 148 149 150 146 2PX 0.35438 147 2PY 0.00000 0.41150 148 2PZ 0.00000 0.00000 0.38398 149 3S 0.00000 0.00000 0.00000 0.30081 150 3PX 0.11186 0.00000 0.00000 0.00000 0.12483 151 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00132 -0.00067 -0.00092 -0.00055 -0.00102 160 2S 0.02023 0.00933 0.01359 0.01142 0.01278 161 2PX -0.00055 0.01821 0.03422 0.02148 0.00240 162 2PY 0.01787 -0.00038 0.00930 0.00588 0.00815 163 2PZ 0.03921 0.00743 0.00060 0.01306 0.02064 164 3S 0.00752 0.01234 0.00723 -0.01479 -0.00311 165 3PX 0.00364 0.00804 0.01439 0.01147 0.01819 166 3PY 0.01208 0.00133 0.00368 0.00030 0.01056 167 3PZ 0.01597 0.00064 0.00348 0.00067 0.01520 168 4XX -0.00076 0.00066 0.00099 0.00113 -0.00122 169 4YY -0.00034 -0.00027 -0.00033 -0.00076 0.00007 170 4ZZ 0.00041 0.00025 -0.00055 -0.00044 0.00087 171 4XY 0.00020 -0.00002 0.00121 0.00045 0.00000 172 4XZ 0.00031 0.00104 -0.00005 0.00026 -0.00001 173 4YZ 0.00123 -0.00001 0.00005 0.00036 0.00030 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 175 2S 0.00023 0.00019 0.00011 0.00169 0.00167 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00006 0.00000 0.00020 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 179 2S 0.00011 0.00015 0.00006 0.00041 0.00088 180 19 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00205 181 2S -0.00584 -0.00012 -0.00246 -0.01154 -0.01240 182 20 H 1S 0.00106 0.09693 0.00068 0.04241 0.00025 183 2S 0.00024 0.06457 0.00047 0.02339 -0.00063 184 21 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 185 2S -0.00577 0.00001 -0.00550 -0.01508 -0.01065 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00010 0.00023 0.00004 0.00006 188 23 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 189 2S -0.00013 -0.00013 -0.00665 -0.00381 -0.00091 151 152 153 154 155 151 3PY 0.05323 152 3PZ 0.00000 0.09657 153 4XX 0.00000 0.00000 0.00150 154 4YY 0.00000 0.00000 -0.00017 0.00186 155 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00058 -0.00032 -0.00004 0.00002 0.00000 160 2S 0.00673 0.00387 0.00058 -0.00045 -0.00019 161 2PX 0.00700 0.01530 -0.00099 -0.00024 0.00034 162 2PY -0.00072 0.00375 0.00080 -0.00025 0.00013 163 2PZ 0.00273 0.00258 0.00134 -0.00020 -0.00071 164 3S 0.00538 0.00231 0.00123 -0.00158 0.00062 165 3PX 0.00358 0.01267 -0.00161 -0.00023 0.00152 166 3PY 0.00090 -0.00004 0.00080 -0.00043 -0.00031 167 3PZ -0.00047 0.01138 0.00174 -0.00022 -0.00113 168 4XX 0.00038 0.00142 -0.00002 -0.00004 0.00005 169 4YY -0.00056 -0.00054 -0.00003 0.00004 -0.00005 170 4ZZ -0.00013 -0.00080 0.00002 -0.00006 0.00002 171 4XY 0.00002 0.00025 0.00000 0.00000 -0.00010 172 4XZ 0.00009 0.00002 0.00000 -0.00010 0.00001 173 4YZ 0.00001 0.00004 -0.00007 0.00000 -0.00002 174 16 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 175 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 176 17 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 177 2S -0.00016 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 179 2S -0.00026 -0.00010 0.00000 -0.00001 0.00001 180 19 H 1S 0.00010 0.00032 0.00003 0.00000 0.00001 181 2S -0.00013 0.00540 0.00057 -0.00014 -0.00023 182 20 H 1S 0.04297 0.00017 -0.00103 0.00754 -0.00119 183 2S 0.04179 -0.00011 -0.00176 0.00685 -0.00308 184 21 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 185 2S -0.00026 -0.00394 0.00015 -0.00035 0.00070 186 22 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 187 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 188 23 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 189 2S 0.00030 -0.01805 -0.00007 -0.00012 0.00070 156 157 158 159 160 156 4XY 0.00042 157 4XZ 0.00000 0.00069 158 4YZ 0.00000 0.00000 0.00065 159 15 C 1S -0.00008 -0.00012 -0.00006 2.05271 160 2S 0.00082 0.00116 0.00065 -0.01361 0.32494 161 2PX 0.00030 0.00034 0.00116 0.00000 0.00000 162 2PY -0.00003 0.00095 -0.00001 0.00000 0.00000 163 2PZ 0.00116 0.00003 0.00009 0.00000 0.00000 164 3S 0.00021 0.00039 0.00020 -0.02961 0.20118 165 3PX 0.00001 -0.00002 0.00018 0.00000 0.00000 166 3PY 0.00000 0.00016 -0.00002 0.00000 0.00000 167 3PZ 0.00013 0.00002 0.00003 0.00000 0.00000 168 4XX -0.00003 -0.00001 0.00000 -0.00113 -0.00672 169 4YY 0.00000 -0.00005 0.00000 -0.00134 -0.00218 170 4ZZ -0.00005 0.00001 -0.00002 -0.00127 -0.00380 171 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00003 0.00000 0.00000 0.00000 173 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00017 175 2S 0.00000 0.00000 0.00000 0.00019 -0.00265 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00013 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00008 0.00000 0.00000 0.00000 181 2S -0.00001 0.00030 -0.00002 0.00000 0.00015 182 20 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00019 183 2S 0.00002 0.00000 0.00001 0.00019 -0.00267 184 21 H 1S 0.00000 0.00005 0.00000 -0.00198 0.03084 185 2S -0.00002 0.00009 -0.00002 -0.00120 0.01191 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00001 0.00000 0.00001 188 23 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 -0.00003 0.00000 -0.00006 161 162 163 164 165 161 2PX 0.36898 162 2PY 0.00000 0.41333 163 2PZ 0.00000 0.00000 0.39025 164 3S 0.00000 0.00000 0.00000 0.25018 165 3PX 0.10337 0.00000 0.00000 0.00000 0.12006 166 3PY 0.00000 0.07887 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.09571 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00195 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 175 2S -0.00091 -0.00839 -0.00153 -0.01699 0.00059 176 17 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 177 2S 0.00003 0.00051 0.00001 0.00219 0.00017 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 179 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 181 2S -0.00001 0.00002 0.00041 0.00079 -0.00099 182 20 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00159 183 2S -0.00256 -0.00650 -0.00039 -0.01535 -0.00583 184 21 H 1S 0.02434 0.02413 0.04942 0.04348 0.00827 185 2S 0.01599 0.01561 0.03421 0.03825 0.00515 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 187 2S -0.00002 -0.00001 0.00010 0.00051 -0.00015 188 23 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 189 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 166 167 168 169 170 166 3PY 0.06239 167 3PZ 0.00000 0.09333 168 4XX 0.00000 0.00000 0.00092 169 4YY 0.00000 0.00000 -0.00008 0.00114 170 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00334 0.00018 0.00000 0.00002 0.00000 175 2S -0.01421 -0.00034 0.00011 -0.00017 0.00014 176 17 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 177 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 178 18 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 179 2S 0.00040 -0.00010 0.00000 0.00000 0.00000 180 19 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 181 2S 0.00047 0.00248 -0.00001 0.00000 -0.00001 182 20 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 183 2S -0.00202 -0.00017 -0.00026 0.00097 -0.00025 184 21 H 1S 0.01004 0.02189 -0.00039 -0.00082 0.00159 185 2S 0.00742 0.02133 0.00025 -0.00134 0.00254 186 22 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 187 2S -0.00030 0.00142 0.00000 0.00000 0.00000 188 23 H 1S -0.00002 -0.00097 0.00000 0.00000 0.00000 189 2S -0.00011 -0.00406 0.00002 0.00000 -0.00004 171 172 173 174 175 171 4XY 0.00095 172 4XZ 0.00000 0.00067 173 4YZ 0.00000 0.00000 0.00117 174 16 H 1S 0.00003 0.00000 0.00005 0.21693 175 2S 0.00012 0.00000 0.00026 0.11783 0.17165 176 17 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00104 177 2S -0.00001 0.00000 0.00000 -0.00105 -0.00590 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00019 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00000 183 2S 0.00009 -0.00008 0.00008 0.00000 -0.00014 184 21 H 1S 0.00114 0.00171 0.00226 -0.00001 -0.00093 185 2S 0.00027 0.00030 0.00053 -0.00093 -0.00553 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00001 0.00000 0.00000 176 177 178 179 180 176 17 H 1S 0.21713 177 2S 0.11577 0.16496 178 18 H 1S -0.00001 -0.00027 0.21593 179 2S -0.00039 -0.00001 0.11187 0.16630 180 19 H 1S 0.00000 0.00000 -0.00003 -0.00165 0.21593 181 2S 0.00000 -0.00015 -0.00165 -0.00907 0.11186 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 0.00000 0.00000 -0.00015 -0.00027 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00014 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 -0.00015 -0.00052 -0.00841 0.00000 187 2S -0.00017 -0.00034 -0.00818 -0.02547 0.00038 188 23 H 1S 0.00000 0.00000 0.00000 0.00041 -0.00052 189 2S 0.00000 -0.00011 0.00039 0.00361 -0.00817 181 182 183 184 185 181 2S 0.16626 182 20 H 1S -0.00039 0.21714 183 2S -0.00001 0.11577 0.16496 184 21 H 1S 0.00000 -0.00001 -0.00105 0.21693 185 2S -0.00019 -0.00104 -0.00589 0.11782 0.17163 186 22 H 1S 0.00041 0.00000 0.00000 0.00000 0.00000 187 2S 0.00361 0.00000 -0.00011 0.00000 0.00000 188 23 H 1S -0.00841 0.00000 -0.00015 0.00000 0.00000 189 2S -0.02545 -0.00017 -0.00034 0.00000 -0.00005 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.11394 0.15894 188 23 H 1S -0.00005 -0.00202 0.21529 189 2S -0.00202 -0.00836 0.11393 0.15892 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.70392 3 2PX 0.59315 4 2PY 0.75713 5 2PZ 0.65423 6 3S 0.49512 7 3PX 0.25387 8 3PY 0.17405 9 3PZ 0.26756 10 4XX -0.00742 11 4YY 0.00528 12 4ZZ -0.00003 13 4XY 0.01111 14 4XZ 0.01091 15 4YZ 0.01425 16 2 C 1S 1.99219 17 2S 0.70396 18 2PX 0.59320 19 2PY 0.75705 20 2PZ 0.65435 21 3S 0.49484 22 3PX 0.25387 23 3PY 0.17393 24 3PZ 0.26765 25 4XX -0.00743 26 4YY 0.00525 27 4ZZ -0.00002 28 4XY 0.01113 29 4XZ 0.01090 30 4YZ 0.01425 31 3 C 1S 1.99193 32 2S 0.70992 33 2PX 0.72996 34 2PY 0.53058 35 2PZ 0.72498 36 3S 0.45533 37 3PX 0.24759 38 3PY 0.09849 39 3PZ 0.23706 40 4XX 0.01406 41 4YY 0.00335 42 4ZZ 0.01373 43 4XY 0.01769 44 4XZ 0.00681 45 4YZ 0.01936 46 4 O 1S 1.99234 47 2S 0.89931 48 2PX 0.93691 49 2PY 0.96342 50 2PZ 1.01255 51 3S 1.00627 52 3PX 0.52120 53 3PY 0.55952 54 3PZ 0.56898 55 4XX 0.00129 56 4YY -0.00121 57 4ZZ -0.00485 58 4XY 0.00765 59 4XZ 0.00372 60 4YZ 0.00695 61 5 H 1S 0.52971 62 2S 0.30215 63 6 H 1S 0.52970 64 2S 0.30211 65 7 H 1S 0.54161 66 2S 0.31782 67 8 O 1S 1.99234 68 2S 0.89932 69 2PX 0.93698 70 2PY 0.96369 71 2PZ 1.01223 72 3S 1.00624 73 3PX 0.52120 74 3PY 0.55969 75 3PZ 0.56865 76 4XX 0.00128 77 4YY -0.00123 78 4ZZ -0.00483 79 4XY 0.00766 80 4XZ 0.00371 81 4YZ 0.00696 82 9 H 1S 0.54013 83 2S 0.30935 84 10 C 1S 1.99191 85 2S 0.70503 86 2PX 0.64890 87 2PY 0.74800 88 2PZ 0.68315 89 3S 0.50001 90 3PX 0.32207 91 3PY 0.20196 92 3PZ 0.30107 93 4XX -0.01177 94 4YY 0.00154 95 4ZZ -0.00526 96 4XY 0.00869 97 4XZ 0.00540 98 4YZ 0.00997 99 11 C 1S 1.99262 100 2S 0.70385 101 2PX 0.61232 102 2PY 0.72539 103 2PZ 0.68250 104 3S 0.59606 105 3PX 0.32780 106 3PY 0.24306 107 3PZ 0.25794 108 4XX -0.01516 109 4YY 0.01157 110 4ZZ -0.00535 111 4XY 0.00395 112 4XZ 0.00661 113 4YZ 0.00631 114 12 C 1S 1.99220 115 2S 0.68131 116 2PX 0.72497 117 2PY 0.68462 118 2PZ 0.69615 119 3S 0.58935 120 3PX 0.33284 121 3PY 0.27014 122 3PZ 0.28725 123 4XX 0.00504 124 4YY -0.00216 125 4ZZ -0.00062 126 4XY 0.00717 127 4XZ 0.00968 128 4YZ 0.00761 129 13 C 1S 1.99220 130 2S 0.68132 131 2PX 0.72501 132 2PY 0.68458 133 2PZ 0.69613 134 3S 0.58933 135 3PX 0.33283 136 3PY 0.27006 137 3PZ 0.28728 138 4XX 0.00505 139 4YY -0.00217 140 4ZZ -0.00062 141 4XY 0.00716 142 4XZ 0.00969 143 4YZ 0.00762 144 14 C 1S 1.99262 145 2S 0.70382 146 2PX 0.61237 147 2PY 0.72531 148 2PZ 0.68242 149 3S 0.59633 150 3PX 0.32758 151 3PY 0.24315 152 3PZ 0.25793 153 4XX -0.01514 154 4YY 0.01156 155 4ZZ -0.00535 156 4XY 0.00395 157 4XZ 0.00662 158 4YZ 0.00631 159 15 C 1S 1.99191 160 2S 0.70499 161 2PX 0.64897 162 2PY 0.74791 163 2PZ 0.68318 164 3S 0.50004 165 3PX 0.32191 166 3PY 0.20210 167 3PZ 0.30108 168 4XX -0.01176 169 4YY 0.00155 170 4ZZ -0.00529 171 4XY 0.00869 172 4XZ 0.00540 173 4YZ 0.00997 174 16 H 1S 0.53307 175 2S 0.35110 176 17 H 1S 0.53358 177 2S 0.34362 178 18 H 1S 0.53198 179 2S 0.32147 180 19 H 1S 0.53199 181 2S 0.32148 182 20 H 1S 0.53359 183 2S 0.34359 184 21 H 1S 0.53307 185 2S 0.35111 186 22 H 1S 0.52952 187 2S 0.32410 188 23 H 1S 0.52953 189 2S 0.32408 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.923847 0.490226 -0.058184 0.230575 0.381030 -0.042184 2 C 0.490226 4.923577 -0.058167 -0.039169 -0.042174 0.381023 3 C -0.058184 -0.058167 4.669037 0.255712 0.005646 0.005651 4 O 0.230575 -0.039169 0.255712 8.190681 -0.036740 0.002501 5 H 0.381030 -0.042174 0.005646 -0.036740 0.540794 -0.000191 6 H -0.042184 0.381023 0.005651 0.002501 -0.000191 0.540620 7 H 0.004880 0.004893 0.360635 -0.050925 -0.000394 -0.000393 8 O -0.039174 0.230710 0.255599 -0.042482 0.002500 -0.036727 9 H 0.003986 0.003978 0.366209 -0.035488 0.000082 0.000081 10 C -0.022806 -0.016784 -0.000126 0.000473 0.002103 -0.004212 11 C -0.006314 0.109524 0.000262 -0.000387 0.001042 -0.018576 12 C -0.014395 -0.004074 -0.000447 0.000317 0.000285 0.000456 13 C -0.004167 -0.014442 -0.000443 -0.004490 0.000466 0.000286 14 C 0.109795 -0.006332 0.000260 -0.010808 -0.018687 0.001040 15 C -0.017012 -0.022865 -0.000127 0.000583 -0.004218 0.002111 16 H -0.000073 0.000633 0.000000 0.000001 0.000020 0.000297 17 H 0.001095 -0.008884 -0.000038 -0.000011 -0.000033 -0.000376 18 H 0.000553 -0.010527 -0.000292 0.000124 -0.000050 0.000522 19 H -0.010483 0.000554 -0.000290 0.013060 0.000522 -0.000050 20 H -0.008922 0.001104 -0.000038 0.000524 -0.000384 -0.000034 21 H 0.000629 -0.000075 0.000000 -0.000014 0.000299 0.000020 22 H 0.000341 0.002061 -0.000014 -0.000028 0.000003 -0.000059 23 H 0.002067 0.000341 -0.000014 0.000029 -0.000059 0.000003 7 8 9 10 11 12 1 C 0.004880 -0.039174 0.003986 -0.022806 -0.006314 -0.014395 2 C 0.004893 0.230710 0.003978 -0.016784 0.109524 -0.004074 3 C 0.360635 0.255599 0.366209 -0.000126 0.000262 -0.000447 4 O -0.050925 -0.042482 -0.035488 0.000473 -0.000387 0.000317 5 H -0.000394 0.002500 0.000082 0.002103 0.001042 0.000285 6 H -0.000393 -0.036727 0.000081 -0.004212 -0.018576 0.000456 7 H 0.665469 -0.050922 -0.072757 -0.000061 0.000712 0.000525 8 O -0.050922 8.190457 -0.035477 0.000576 -0.010785 -0.004502 9 H -0.072757 -0.035477 0.618362 0.000006 -0.000074 0.000065 10 C -0.000061 0.000576 0.000006 4.905883 0.553605 -0.023534 11 C 0.000712 -0.010785 -0.000074 0.553605 4.999118 0.374518 12 C 0.000525 -0.004502 0.000065 -0.023534 0.374518 5.060540 13 C 0.000519 0.000324 0.000065 -0.031234 -0.033031 0.333673 14 C 0.000715 -0.000390 -0.000074 -0.043919 -0.022709 -0.033017 15 C -0.000062 0.000475 0.000006 0.509929 -0.043974 -0.031227 16 H 0.000000 -0.000014 0.000000 0.367122 -0.052125 0.005699 17 H 0.000009 0.000523 0.000000 -0.042415 0.361918 -0.051205 18 H -0.001805 0.013092 0.000259 0.003488 -0.033808 0.352734 19 H -0.001797 0.000123 0.000258 0.001072 0.001393 -0.027678 20 H 0.000009 -0.000011 0.000000 0.007381 0.000138 0.005215 21 H 0.000000 0.000001 0.000000 -0.051737 0.006076 -0.000155 22 H 0.000088 0.000029 -0.000002 -0.005854 -0.039442 0.375833 23 H 0.000088 -0.000028 -0.000002 0.001692 0.002377 -0.034051 13 14 15 16 17 18 1 C -0.004167 0.109795 -0.017012 -0.000073 0.001095 0.000553 2 C -0.014442 -0.006332 -0.022865 0.000633 -0.008884 -0.010527 3 C -0.000443 0.000260 -0.000127 0.000000 -0.000038 -0.000292 4 O -0.004490 -0.010808 0.000583 0.000001 -0.000011 0.000124 5 H 0.000466 -0.018687 -0.004218 0.000020 -0.000033 -0.000050 6 H 0.000286 0.001040 0.002111 0.000297 -0.000376 0.000522 7 H 0.000519 0.000715 -0.000062 0.000000 0.000009 -0.001805 8 O 0.000324 -0.000390 0.000475 -0.000014 0.000523 0.013092 9 H 0.000065 -0.000074 0.000006 0.000000 0.000000 0.000259 10 C -0.031234 -0.043919 0.509929 0.367122 -0.042415 0.003488 11 C -0.033031 -0.022709 -0.043974 -0.052125 0.361918 -0.033808 12 C 0.333673 -0.033017 -0.031227 0.005699 -0.051205 0.352734 13 C 5.060598 0.374441 -0.023505 -0.000156 0.005215 -0.027667 14 C 0.374441 4.999425 0.553225 0.006078 0.000136 0.001384 15 C -0.023505 0.553225 4.906605 -0.051765 0.007378 0.001075 16 H -0.000156 0.006078 -0.051765 0.624234 -0.007996 -0.000199 17 H 0.005215 0.000136 0.007378 -0.007996 0.613631 -0.000665 18 H -0.027667 0.001384 0.001075 -0.000199 -0.000665 0.605961 19 H 0.352763 -0.033814 0.003498 0.000017 -0.000156 -0.012409 20 H -0.051193 0.361909 -0.042418 -0.000145 -0.000004 -0.000156 21 H 0.005697 -0.052129 0.367140 -0.007408 -0.000145 0.000017 22 H -0.034071 0.002390 0.001684 -0.000050 -0.000656 -0.042584 23 H 0.375813 -0.039431 -0.005874 -0.000001 -0.000112 0.004407 19 20 21 22 23 1 C -0.010483 -0.008922 0.000629 0.000341 0.002067 2 C 0.000554 0.001104 -0.000075 0.002061 0.000341 3 C -0.000290 -0.000038 0.000000 -0.000014 -0.000014 4 O 0.013060 0.000524 -0.000014 -0.000028 0.000029 5 H 0.000522 -0.000384 0.000299 0.000003 -0.000059 6 H -0.000050 -0.000034 0.000020 -0.000059 0.000003 7 H -0.001797 0.000009 0.000000 0.000088 0.000088 8 O 0.000123 -0.000011 0.000001 0.000029 -0.000028 9 H 0.000258 0.000000 0.000000 -0.000002 -0.000002 10 C 0.001072 0.007381 -0.051737 -0.005854 0.001692 11 C 0.001393 0.000138 0.006076 -0.039442 0.002377 12 C -0.027678 0.005215 -0.000155 0.375833 -0.034051 13 C 0.352763 -0.051193 0.005697 -0.034071 0.375813 14 C -0.033814 0.361909 -0.052129 0.002390 -0.039431 15 C 0.003498 -0.042418 0.367140 0.001684 -0.005874 16 H 0.000017 -0.000145 -0.007408 -0.000050 -0.000001 17 H -0.000156 -0.000004 -0.000145 -0.000656 -0.000112 18 H -0.012409 -0.000156 0.000017 -0.042584 0.004407 19 H 0.605914 -0.000667 -0.000199 0.004403 -0.042557 20 H -0.000667 0.613637 -0.007993 -0.000112 -0.000657 21 H -0.000199 -0.007993 0.624205 -0.000001 -0.000050 22 H 0.004403 -0.000112 -0.000001 0.602113 -0.012448 23 H -0.042557 -0.000657 -0.000050 -0.012448 0.602082 Mulliken charges: 1 1 C 0.074690 2 C 0.074868 3 C 0.199169 4 O -0.474040 5 H 0.168138 6 H 0.168189 7 H 0.140574 8 O -0.473896 9 H 0.150517 10 C -0.110649 11 C -0.149457 12 C -0.285576 13 C -0.285461 14 C -0.149488 15 C -0.110664 16 H 0.115831 17 H 0.122791 18 H 0.146546 19 H 0.146522 20 H 0.122818 21 H 0.115820 22 H 0.146373 23 H 0.146384 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.242829 2 C 0.243057 3 C 0.490259 4 O -0.474040 8 O -0.473896 10 C 0.005182 11 C -0.026666 12 C 0.007344 13 C 0.007445 14 C -0.026670 15 C 0.005156 APT charges: 1 1 C -0.405485 2 C -0.404893 3 C -0.600513 4 O -0.299832 5 H 0.522976 6 H 0.522812 7 H 0.335387 8 O -0.299489 9 H 0.656820 10 C -0.405469 11 C -0.690827 12 C -0.855636 13 C -0.855523 14 C -0.691186 15 C -0.405398 16 H 0.579664 17 H 0.476034 18 H 0.329248 19 H 0.329379 20 H 0.476045 21 H 0.579663 22 H 0.553141 23 H 0.553080 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.117491 2 C 0.117919 3 C 0.391694 4 O -0.299832 8 O -0.299489 10 C 0.174195 11 C -0.214793 12 C 0.026754 13 C 0.026935 14 C -0.215140 15 C 0.174265 Electronic spatial extent (au): = 1462.9159 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2916 Y= -0.0010 Z= -0.2506 Tot= 0.3845 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0606 YY= -66.2577 ZZ= -61.0978 XY= 0.0030 XZ= -2.5911 YZ= -0.0041 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5886 YY= -1.7857 ZZ= 3.3742 XY= 0.0030 XZ= -2.5911 YZ= -0.0041 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3383 YYY= 0.0094 ZZZ= -4.5875 XYY= 4.5856 XXY= -0.0147 XXZ= 2.3229 XZZ= -4.2934 YZZ= -0.0052 YYZ= -4.6296 XYZ= 0.0105 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.4022 YYYY= -454.0226 ZZZZ= -400.8083 XXXY= 0.0348 XXXZ= -25.2341 YYYX= -0.0023 YYYZ= -0.0030 ZZZX= 1.4152 ZZZY= 0.0215 XXYY= -270.3173 XXZZ= -230.4646 YYZZ= -137.0174 XXYZ= -0.0215 YYXZ= -2.4747 ZZXY= -0.0057 N-N= 6.505283742371D+02 E-N=-2.466025366429D+03 KE= 4.958566875183D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176876 29.026248 2 O -19.176788 29.026255 3 O -10.292298 15.888379 4 O -10.238598 15.880971 5 O -10.238016 15.892083 6 O -10.186446 15.888533 7 O -10.186400 15.885981 8 O -10.180368 15.882765 9 O -10.180191 15.889177 10 O -10.169362 15.876100 11 O -10.168859 15.885777 12 O -1.107165 2.296515 13 O -1.013194 2.785725 14 O -0.829083 1.400526 15 O -0.765909 1.721694 16 O -0.733692 1.473748 17 O -0.728676 1.513930 18 O -0.643759 1.895223 19 O -0.614529 1.756574 20 O -0.603985 1.457174 21 O -0.584674 1.408520 22 O -0.532371 1.336107 23 O -0.511526 1.178854 24 O -0.494177 0.996014 25 O -0.470195 1.352498 26 O -0.446715 1.573900 27 O -0.443552 1.142296 28 O -0.441058 1.574400 29 O -0.405579 1.357449 30 O -0.397902 1.212971 31 O -0.389632 1.719244 32 O -0.384145 1.292247 33 O -0.373274 1.574717 34 O -0.355256 2.367285 35 O -0.348812 1.413604 36 O -0.328582 1.796788 37 O -0.319426 1.469971 38 O -0.317077 1.391316 39 O -0.286256 1.368491 40 O -0.198002 1.279589 41 O -0.185595 1.798704 42 V -0.006984 1.479556 43 V 0.010187 1.673677 44 V 0.083776 0.939935 45 V 0.112321 0.984357 46 V 0.119129 1.770351 47 V 0.122480 1.842202 48 V 0.123163 1.000637 49 V 0.135171 1.073494 50 V 0.144248 1.535404 51 V 0.145258 1.041250 52 V 0.163938 1.653291 53 V 0.171447 1.388498 54 V 0.177645 1.367708 55 V 0.192701 1.270983 56 V 0.197763 2.353144 57 V 0.203003 1.219662 58 V 0.228841 1.314961 59 V 0.236117 1.143496 60 V 0.242707 1.412178 61 V 0.249120 1.439821 62 V 0.304393 1.683465 63 V 0.313626 1.479590 64 V 0.326620 1.752148 65 V 0.370134 2.525747 66 V 0.432160 1.929597 67 V 0.473977 1.814285 68 V 0.477967 1.842628 69 V 0.491398 1.615929 70 V 0.508288 2.036152 71 V 0.523166 2.095755 72 V 0.546524 2.522257 73 V 0.547876 1.756282 74 V 0.548670 2.108277 75 V 0.568900 2.371422 76 V 0.579349 2.171820 77 V 0.607436 2.323769 78 V 0.613358 1.950969 79 V 0.618231 1.942519 80 V 0.636312 2.358939 81 V 0.663094 2.521650 82 V 0.678634 2.531991 83 V 0.712837 2.399551 84 V 0.722932 2.418552 85 V 0.740946 2.512553 86 V 0.751907 2.579648 87 V 0.775355 2.174129 88 V 0.795758 2.393658 89 V 0.798768 2.614784 90 V 0.810676 2.533431 91 V 0.828476 2.500820 92 V 0.842042 2.285574 93 V 0.854433 2.766093 94 V 0.864512 2.706369 95 V 0.880610 2.597158 96 V 0.884457 2.489987 97 V 0.885201 2.710005 98 V 0.887091 2.868267 99 V 0.898058 2.577311 100 V 0.913816 2.700636 101 V 0.937171 2.656061 102 V 0.940291 2.589334 103 V 0.951222 2.714878 104 V 1.007941 2.256273 105 V 1.014401 2.335780 106 V 1.022975 2.836228 107 V 1.027212 2.465467 108 V 1.092062 3.076148 109 V 1.099188 2.654788 110 V 1.114150 2.822938 111 V 1.149196 2.615993 112 V 1.151826 2.999902 113 V 1.189416 2.470835 114 V 1.204056 2.548065 115 V 1.251290 2.394811 116 V 1.264415 2.522655 117 V 1.367265 2.620232 118 V 1.370426 2.851713 119 V 1.398330 2.557530 120 V 1.427126 2.655614 121 V 1.432157 2.569742 122 V 1.438581 2.643516 123 V 1.475732 2.604507 124 V 1.492050 2.727399 125 V 1.526430 2.731791 126 V 1.585294 2.729152 127 V 1.639977 2.848190 128 V 1.661068 2.867774 129 V 1.720429 2.847768 130 V 1.723418 2.955959 131 V 1.758449 2.890024 132 V 1.770892 3.084061 133 V 1.794195 3.089677 134 V 1.860003 3.080329 135 V 1.877764 3.223116 136 V 1.885334 3.369045 137 V 1.908417 3.243831 138 V 1.935591 3.247677 139 V 1.958248 3.419665 140 V 1.976509 3.549560 141 V 1.978366 3.699903 142 V 1.981027 3.550921 143 V 2.000549 3.502640 144 V 2.019375 3.666153 145 V 2.041555 3.521432 146 V 2.088883 3.490907 147 V 2.120239 3.689720 148 V 2.140797 3.517705 149 V 2.160268 3.640894 150 V 2.230078 3.505884 151 V 2.254873 3.549582 152 V 2.262045 3.557658 153 V 2.279834 3.600125 154 V 2.291951 3.680090 155 V 2.309560 3.817509 156 V 2.318536 3.601928 157 V 2.371177 3.779119 158 V 2.401507 3.844960 159 V 2.434366 3.875153 160 V 2.448093 3.771404 161 V 2.451442 3.854185 162 V 2.484073 3.927506 163 V 2.522288 3.909423 164 V 2.545395 4.007159 165 V 2.598894 4.362564 166 V 2.627397 4.427836 167 V 2.645172 4.262160 168 V 2.675697 4.223217 169 V 2.692956 4.304570 170 V 2.694420 4.368996 171 V 2.736155 4.291628 172 V 2.765950 4.303109 173 V 2.803869 4.577578 174 V 2.866858 4.485898 175 V 2.879925 4.651863 176 V 2.944564 4.768111 177 V 3.105785 4.916606 178 V 3.131184 4.838721 179 V 4.006251 10.862558 180 V 4.105734 10.794544 181 V 4.127668 10.147715 182 V 4.252015 10.394815 183 V 4.268096 10.250029 184 V 4.362047 10.479282 185 V 4.370186 10.258825 186 V 4.448555 10.340479 187 V 4.489353 10.367765 188 V 4.649641 10.705337 189 V 4.874498 11.552494 Total kinetic energy from orbitals= 4.958566875183D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 204.013 0.061 180.116 -8.215 0.013 127.239 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 -0.000051272 0.000000784 -0.000015776 2 6 0.000057185 -0.000008640 0.000016895 3 6 0.000000752 0.000003409 -0.000001108 4 8 0.000009836 0.000000629 0.000003910 5 1 0.000013985 0.000000492 0.000010130 6 1 -0.000013047 -0.000000199 -0.000011811 7 1 0.000004408 -0.000000095 0.000002770 8 8 -0.000013098 0.000002885 -0.000002819 9 1 -0.000000119 0.000003970 -0.000000414 10 6 0.000030435 0.000006096 -0.000006907 11 6 -0.000039973 -0.000009056 -0.000008619 12 6 0.000002259 0.000002412 0.000015993 13 6 -0.000001277 0.000003343 -0.000007977 14 6 0.000032969 -0.000009855 0.000009876 15 6 -0.000028030 0.000002716 0.000007677 16 1 0.000001070 0.000001155 0.000000897 17 1 0.000011151 -0.000001908 0.000005026 18 1 0.000002709 -0.000000337 -0.000008748 19 1 -0.000006989 0.000001744 -0.000001710 20 1 -0.000009413 -0.000001836 -0.000006824 21 1 -0.000001690 0.000000848 -0.000001715 22 1 -0.000001772 0.000001106 -0.000000771 23 1 -0.000000080 0.000000337 0.000002026 ------------------------------------------------------------------- Cartesian Forces: Max 0.000057185 RMS 0.000013813 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000018641 RMS 0.000003711 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 --- -0.03190 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12444 0.12618 0.15482 0.16307 Eigenvalues --- 0.18372 0.18746 0.23373 0.24268 0.26918 Eigenvalues --- 0.27588 0.29673 0.30157 0.30787 0.32285 Eigenvalues --- 0.32447 0.32888 0.34622 0.35303 0.35333 Eigenvalues --- 0.35475 0.35567 0.36577 0.38193 0.38371 Eigenvalues --- 0.41331 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R4 R7 D5 D1 D11 1 0.56596 0.56478 -0.16962 0.16957 0.14505 D23 D6 D7 R1 D95 1 -0.14488 -0.11842 0.11835 -0.11436 -0.11061 RFO step: Lambda0=3.077064263D-10 Lambda=-1.47440471D-07. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00035724 RMS(Int)= 0.00000018 Iteration 2 RMS(Cart)= 0.00000016 RMS(Int)= 0.00000011 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.62524 0.00000 0.00000 0.00001 0.00001 2.62525 R2 2.63243 -0.00001 0.00000 -0.00023 -0.00023 2.63221 R3 2.03580 0.00000 0.00000 -0.00005 -0.00005 2.03575 R4 4.37363 0.00000 0.00000 0.00220 0.00220 4.37583 R5 2.03569 0.00001 0.00000 0.00005 0.00005 2.03574 R6 2.63196 0.00001 0.00000 0.00024 0.00024 2.63220 R7 4.37807 -0.00001 0.00000 -0.00212 -0.00212 4.37596 R8 2.69172 0.00000 0.00000 0.00007 0.00007 2.69179 R9 2.07616 0.00000 0.00000 0.00002 0.00002 2.07618 R10 2.69188 0.00000 0.00000 -0.00008 -0.00008 2.69180 R11 2.07493 0.00000 0.00000 -0.00002 -0.00002 2.07491 R12 4.44268 0.00000 0.00000 -0.00152 -0.00152 4.44116 R13 4.44289 -0.00001 0.00000 -0.00174 -0.00174 4.44115 R14 2.62017 0.00002 0.00000 0.00013 0.00013 2.62029 R15 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R16 2.05660 0.00000 0.00000 -0.00001 -0.00001 2.05659 R17 2.86306 0.00001 0.00000 0.00010 0.00010 2.86316 R18 2.05804 0.00000 0.00000 0.00001 0.00001 2.05804 R19 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R20 2.07031 0.00000 0.00000 -0.00003 -0.00003 2.07028 R21 2.07662 0.00000 0.00000 -0.00002 -0.00002 2.07660 R22 2.86326 -0.00001 0.00000 -0.00009 -0.00009 2.86317 R23 2.07026 0.00000 0.00000 0.00002 0.00002 2.07028 R24 2.07658 0.00000 0.00000 0.00002 0.00002 2.07660 R25 2.62044 -0.00002 0.00000 -0.00014 -0.00014 2.62030 R26 2.05805 0.00000 0.00000 -0.00001 -0.00001 2.05804 R27 2.05657 0.00000 0.00000 0.00001 0.00001 2.05659 A1 1.90205 0.00001 0.00000 0.00022 0.00022 1.90228 A2 2.21815 0.00000 0.00000 0.00038 0.00038 2.21853 A3 1.86479 0.00000 0.00000 -0.00049 -0.00049 1.86431 A4 1.99429 0.00000 0.00000 0.00022 0.00022 1.99452 A5 1.86566 0.00000 0.00000 -0.00009 -0.00009 1.86557 A6 1.54487 0.00000 0.00000 -0.00073 -0.00073 1.54415 A7 2.21890 0.00000 0.00000 -0.00036 -0.00036 2.21854 A8 1.90253 -0.00001 0.00000 -0.00025 -0.00025 1.90228 A9 1.86380 0.00000 0.00000 0.00048 0.00048 1.86428 A10 1.99477 0.00000 0.00000 -0.00025 -0.00025 1.99452 A11 1.54340 0.00000 0.00000 0.00073 0.00073 1.54413 A12 1.86542 0.00000 0.00000 0.00016 0.00016 1.86558 A13 1.91796 0.00000 0.00000 -0.00007 -0.00007 1.91789 A14 1.87434 0.00000 0.00000 -0.00002 -0.00002 1.87432 A15 1.91621 0.00000 0.00000 -0.00006 -0.00006 1.91615 A16 1.91781 0.00000 0.00000 0.00007 0.00007 1.91788 A17 1.92090 0.00000 0.00000 0.00002 0.00002 1.92092 A18 1.91609 0.00000 0.00000 0.00006 0.00006 1.91615 A19 1.86552 0.00000 0.00000 -0.00008 -0.00008 1.86544 A20 1.82348 0.00000 0.00000 0.00050 0.00050 1.82398 A21 1.82371 0.00000 0.00000 0.00028 0.00028 1.82399 A22 1.05508 0.00000 0.00000 0.00045 0.00045 1.05553 A23 1.86543 0.00000 0.00000 0.00001 0.00001 1.86544 A24 2.06757 -0.00001 0.00000 -0.00016 -0.00016 2.06741 A25 2.09931 0.00001 0.00000 0.00007 0.00007 2.09938 A26 2.09051 0.00000 0.00000 0.00002 0.00002 2.09053 A27 1.72689 0.00000 0.00000 0.00043 0.00043 1.72733 A28 1.63532 0.00000 0.00000 0.00045 0.00045 1.63577 A29 1.73922 0.00000 0.00000 0.00002 0.00002 1.73924 A30 2.09900 0.00000 0.00000 -0.00021 -0.00021 2.09878 A31 2.08090 0.00000 0.00000 -0.00009 -0.00009 2.08082 A32 2.01654 0.00000 0.00000 -0.00010 -0.00010 2.01644 A33 1.96749 0.00000 0.00000 0.00003 0.00003 1.96752 A34 1.91104 0.00000 0.00000 -0.00005 -0.00005 1.91099 A35 1.87953 0.00000 0.00000 -0.00007 -0.00007 1.87947 A36 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A37 1.90727 0.00000 0.00000 0.00002 0.00002 1.90728 A38 1.84421 0.00000 0.00000 0.00007 0.00007 1.84427 A39 1.96755 0.00000 0.00000 -0.00003 -0.00003 1.96752 A40 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A41 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A42 1.91105 0.00000 0.00000 -0.00005 -0.00005 1.91100 A43 1.87936 0.00000 0.00000 0.00011 0.00011 1.87947 A44 1.84432 0.00000 0.00000 -0.00004 -0.00004 1.84427 A45 1.63630 0.00000 0.00000 -0.00050 -0.00050 1.63580 A46 1.72778 0.00000 0.00000 -0.00044 -0.00044 1.72735 A47 1.73926 0.00000 0.00000 -0.00003 -0.00003 1.73923 A48 2.09852 0.00000 0.00000 0.00025 0.00025 2.09877 A49 2.01632 0.00000 0.00000 0.00011 0.00011 2.01644 A50 2.08074 0.00000 0.00000 0.00007 0.00007 2.08081 A51 2.06725 0.00001 0.00000 0.00016 0.00016 2.06741 A52 2.09056 0.00000 0.00000 -0.00003 -0.00003 2.09054 A53 2.09946 0.00000 0.00000 -0.00007 -0.00007 2.09938 A54 2.15598 0.00000 0.00000 -0.00030 -0.00030 2.15568 A55 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 D1 2.50857 0.00000 0.00000 -0.00091 -0.00091 2.50766 D2 -0.00061 0.00001 0.00000 0.00060 0.00060 -0.00001 D3 -2.01005 0.00000 0.00000 0.00029 0.00029 -2.00976 D4 0.00240 -0.00001 0.00000 -0.00237 -0.00237 0.00003 D5 -2.50678 0.00000 0.00000 -0.00085 -0.00085 -2.50763 D6 1.76696 -0.00001 0.00000 -0.00116 -0.00116 1.76580 D7 -1.76461 -0.00001 0.00000 -0.00117 -0.00117 -1.76577 D8 2.00940 0.00000 0.00000 0.00035 0.00035 2.00975 D9 -0.00005 0.00000 0.00000 0.00004 0.00004 -0.00001 D10 0.09904 -0.00001 0.00000 -0.00011 -0.00011 0.09893 D11 2.69458 0.00000 0.00000 0.00120 0.00120 2.69578 D12 -1.91041 0.00000 0.00000 0.00040 0.00040 -1.91001 D13 -1.13258 0.00000 0.00000 -0.00016 -0.00016 -1.13273 D14 0.98661 0.00000 0.00000 -0.00009 -0.00009 0.98653 D15 3.11392 0.00000 0.00000 -0.00016 -0.00016 3.11377 D16 0.90173 0.00000 0.00000 -0.00018 -0.00018 0.90155 D17 3.02092 0.00000 0.00000 -0.00011 -0.00011 3.02081 D18 -1.13495 0.00000 0.00000 -0.00018 -0.00018 -1.13513 D19 2.90791 0.00000 0.00000 -0.00019 -0.00019 2.90772 D20 -1.25608 0.00000 0.00000 -0.00012 -0.00012 -1.25621 D21 0.87123 0.00000 0.00000 -0.00019 -0.00019 0.87103 D22 -0.09807 -0.00001 0.00000 -0.00086 -0.00086 -0.09892 D23 -2.69630 0.00000 0.00000 0.00049 0.00049 -2.69581 D24 1.91033 0.00000 0.00000 -0.00033 -0.00033 1.91000 D25 -0.98642 0.00000 0.00000 -0.00009 -0.00009 -0.98651 D26 1.13288 0.00000 0.00000 -0.00013 -0.00013 1.13275 D27 -3.11362 0.00000 0.00000 -0.00013 -0.00013 -3.11375 D28 1.25633 0.00000 0.00000 -0.00011 -0.00011 1.25622 D29 -2.90755 0.00000 0.00000 -0.00015 -0.00015 -2.90770 D30 -0.87087 0.00000 0.00000 -0.00015 -0.00015 -0.87102 D31 -3.02068 0.00000 0.00000 -0.00012 -0.00012 -3.02079 D32 -0.90137 0.00000 0.00000 -0.00016 -0.00016 -0.90154 D33 1.13531 0.00000 0.00000 -0.00016 -0.00016 1.13515 D34 1.92757 0.00000 0.00000 -0.00038 -0.00038 1.92720 D35 -0.15798 0.00000 0.00000 -0.00041 -0.00041 -0.15839 D36 -2.24048 0.00000 0.00000 -0.00044 -0.00044 -2.24092 D37 -1.57615 0.00000 0.00000 -0.00031 -0.00031 -1.57646 D38 -0.48260 0.00000 0.00000 0.00028 0.00028 -0.48232 D39 0.48265 0.00000 0.00000 -0.00033 -0.00033 0.48232 D40 1.57620 0.00000 0.00000 0.00026 0.00026 1.57646 D41 2.59472 0.00000 0.00000 -0.00020 -0.00020 2.59452 D42 -2.59491 0.00000 0.00000 0.00039 0.00039 -2.59452 D43 0.15761 0.00000 0.00000 0.00078 0.00078 0.15839 D44 -1.92804 0.00000 0.00000 0.00084 0.00084 -1.92720 D45 2.24018 0.00000 0.00000 0.00073 0.00073 2.24092 D46 1.26775 0.00000 0.00000 0.00004 0.00004 1.26779 D47 -0.45432 0.00000 0.00000 -0.00009 -0.00009 -0.45442 D48 -1.26664 0.00000 0.00000 -0.00111 -0.00111 -1.26775 D49 0.45504 0.00000 0.00000 -0.00060 -0.00060 0.45444 D50 1.13872 0.00000 0.00000 0.00010 0.00010 1.13882 D51 -0.60027 0.00000 0.00000 -0.00064 -0.00064 -0.60091 D52 2.99592 0.00000 0.00000 0.00037 0.00037 2.99629 D53 -1.76037 0.00000 0.00000 0.00043 0.00043 -1.75994 D54 2.78383 0.00000 0.00000 -0.00032 -0.00032 2.78351 D55 0.09683 0.00000 0.00000 0.00070 0.00070 0.09752 D56 -0.00060 0.00001 0.00000 0.00059 0.00059 -0.00001 D57 -2.90035 0.00000 0.00000 0.00032 0.00032 -2.90003 D58 2.89974 0.00000 0.00000 0.00028 0.00028 2.90002 D59 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D60 -1.22236 0.00000 0.00000 0.00017 0.00017 -1.22219 D61 0.95848 0.00000 0.00000 0.00016 0.00016 0.95863 D62 2.95563 0.00000 0.00000 0.00017 0.00017 2.95581 D63 0.56827 0.00000 0.00000 0.00091 0.00091 0.56918 D64 2.74911 0.00000 0.00000 0.00090 0.00090 2.75001 D65 -1.53692 0.00000 0.00000 0.00092 0.00092 -1.53600 D66 -3.01194 0.00000 0.00000 -0.00007 -0.00007 -3.01201 D67 -0.83110 0.00000 0.00000 -0.00008 -0.00008 -0.83118 D68 1.16605 0.00000 0.00000 -0.00006 -0.00006 1.16599 D69 0.00104 0.00000 0.00000 -0.00101 -0.00101 0.00003 D70 2.16110 0.00000 0.00000 -0.00108 -0.00108 2.16002 D71 -2.08803 0.00000 0.00000 -0.00112 -0.00112 -2.08915 D72 -2.15899 0.00000 0.00000 -0.00097 -0.00097 -2.15996 D73 0.00107 0.00000 0.00000 -0.00104 -0.00104 0.00003 D74 2.03513 0.00000 0.00000 -0.00108 -0.00108 2.03405 D75 2.09028 0.00000 0.00000 -0.00106 -0.00106 2.08922 D76 -2.03284 0.00000 0.00000 -0.00113 -0.00113 -2.03398 D77 0.00121 0.00000 0.00000 -0.00117 -0.00117 0.00004 D78 -1.77176 0.00000 0.00000 0.00049 0.00049 -1.77127 D79 0.41979 0.00000 0.00000 0.00050 0.00050 0.42029 D80 2.49165 0.00000 0.00000 0.00056 0.00056 2.49221 D81 1.22198 0.00000 0.00000 0.00020 0.00020 1.22218 D82 -0.57021 0.00000 0.00000 0.00097 0.00097 -0.56924 D83 3.01207 0.00000 0.00000 -0.00007 -0.00007 3.01200 D84 -0.95886 0.00000 0.00000 0.00022 0.00022 -0.95865 D85 -2.75105 0.00000 0.00000 0.00099 0.00099 -2.75006 D86 0.83122 0.00000 0.00000 -0.00005 -0.00005 0.83117 D87 -2.95606 0.00000 0.00000 0.00024 0.00024 -2.95582 D88 1.53494 0.00000 0.00000 0.00101 0.00101 1.53595 D89 -1.16598 0.00000 0.00000 -0.00003 -0.00003 -1.16601 D90 -0.42142 0.00000 0.00000 0.00107 0.00107 -0.42034 D91 1.77020 0.00000 0.00000 0.00101 0.00101 1.77121 D92 -2.49336 0.00000 0.00000 0.00109 0.00109 -2.49226 D93 -1.13893 0.00000 0.00000 0.00009 0.00009 -1.13884 D94 1.75954 0.00000 0.00000 0.00037 0.00037 1.75991 D95 0.60165 0.00000 0.00000 -0.00071 -0.00071 0.60094 D96 -2.78306 0.00000 0.00000 -0.00043 -0.00043 -2.78349 D97 -2.99668 0.00000 0.00000 0.00038 0.00038 -2.99630 D98 -0.09821 0.00000 0.00000 0.00066 0.00066 -0.09755 Item Value Threshold Converged? Maximum Force 0.000019 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.001538 0.001800 YES RMS Displacement 0.000357 0.001200 YES Predicted change in Energy=-7.356638D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3892 -DE/DX = 0.0 ! ! R2 R(1,4) 1.393 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0773 -DE/DX = 0.0 ! ! R4 R(1,14) 2.3144 -DE/DX = 0.0 ! ! R5 R(2,6) 1.0772 -DE/DX = 0.0 ! ! R6 R(2,8) 1.3928 -DE/DX = 0.0 ! ! R7 R(2,11) 2.3168 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4244 -DE/DX = 0.0 ! ! R9 R(3,7) 1.0987 -DE/DX = 0.0 ! ! R10 R(3,8) 1.4245 -DE/DX = 0.0 ! ! R11 R(3,9) 1.098 -DE/DX = 0.0 ! ! R12 R(7,18) 2.351 -DE/DX = 0.0 ! ! R13 R(7,19) 2.3511 -DE/DX = 0.0 ! ! R14 R(10,11) 1.3865 -DE/DX = 0.0 ! ! R15 R(10,15) 1.4078 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0883 -DE/DX = 0.0 ! ! R17 R(11,12) 1.5151 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0891 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5582 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0956 -DE/DX = 0.0 ! ! R21 R(12,22) 1.0989 -DE/DX = 0.0 ! ! R22 R(13,14) 1.5152 -DE/DX = 0.0 ! ! R23 R(13,19) 1.0955 -DE/DX = 0.0 ! ! R24 R(13,23) 1.0989 -DE/DX = 0.0 ! ! R25 R(14,15) 1.3867 -DE/DX = 0.0 ! ! R26 R(14,20) 1.0891 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0883 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9795 -DE/DX = 0.0 ! ! A2 A(2,1,5) 127.0905 -DE/DX = 0.0 ! ! A3 A(2,1,14) 106.8448 -DE/DX = 0.0 ! ! A4 A(4,1,5) 114.2647 -DE/DX = 0.0 ! ! A5 A(4,1,14) 106.8945 -DE/DX = 0.0 ! ! A6 A(5,1,14) 88.5146 -DE/DX = 0.0 ! ! A7 A(1,2,6) 127.1335 -DE/DX = 0.0 ! ! A8 A(1,2,8) 109.0069 -DE/DX = 0.0 ! ! A9 A(1,2,11) 106.788 -DE/DX = 0.0 ! ! A10 A(6,2,8) 114.2919 -DE/DX = 0.0 ! ! A11 A(6,2,11) 88.4303 -DE/DX = 0.0 ! ! A12 A(8,2,11) 106.8806 -DE/DX = 0.0 ! ! A13 A(4,3,7) 109.8911 -DE/DX = 0.0 ! ! A14 A(4,3,8) 107.3917 -DE/DX = 0.0 ! ! A15 A(4,3,9) 109.7908 -DE/DX = 0.0 ! ! A16 A(7,3,8) 109.8825 -DE/DX = 0.0 ! ! A17 A(7,3,9) 110.0593 -DE/DX = 0.0 ! ! A18 A(8,3,9) 109.784 -DE/DX = 0.0 ! ! A19 A(1,4,3) 106.8864 -DE/DX = 0.0 ! ! A20 A(3,7,18) 104.4776 -DE/DX = 0.0 ! ! A21 A(3,7,19) 104.4911 -DE/DX = 0.0 ! ! A22 A(18,7,19) 60.4519 -DE/DX = 0.0 ! ! A23 A(2,8,3) 106.8814 -DE/DX = 0.0 ! ! A24 A(11,10,15) 118.4632 -DE/DX = 0.0 ! ! A25 A(11,10,16) 120.2817 -DE/DX = 0.0 ! ! A26 A(15,10,16) 119.7777 -DE/DX = 0.0 ! ! A27 A(2,11,10) 98.9437 -DE/DX = 0.0 ! ! A28 A(2,11,12) 93.6968 -DE/DX = 0.0 ! ! A29 A(2,11,17) 99.65 -DE/DX = 0.0 ! ! A30 A(10,11,12) 120.2636 -DE/DX = 0.0 ! ! A31 A(10,11,17) 119.227 -DE/DX = 0.0 ! ! A32 A(12,11,17) 115.5393 -DE/DX = 0.0 ! ! A33 A(11,12,13) 112.7287 -DE/DX = 0.0 ! ! A34 A(11,12,18) 109.4946 -DE/DX = 0.0 ! ! A35 A(11,12,22) 107.6894 -DE/DX = 0.0 ! ! A36 A(13,12,18) 111.6652 -DE/DX = 0.0 ! ! A37 A(13,12,22) 109.2783 -DE/DX = 0.0 ! ! A38 A(18,12,22) 105.6652 -DE/DX = 0.0 ! ! A39 A(12,13,14) 112.7322 -DE/DX = 0.0 ! ! A40 A(12,13,19) 111.6633 -DE/DX = 0.0 ! ! A41 A(12,13,23) 109.2799 -DE/DX = 0.0 ! ! A42 A(14,13,19) 109.4952 -DE/DX = 0.0 ! ! A43 A(14,13,23) 107.6791 -DE/DX = 0.0 ! ! A44 A(19,13,23) 105.6715 -DE/DX = 0.0 ! ! A45 A(1,14,13) 93.7532 -DE/DX = 0.0 ! ! A46 A(1,14,15) 98.9948 -DE/DX = 0.0 ! ! A47 A(1,14,20) 99.6523 -DE/DX = 0.0 ! ! A48 A(13,14,15) 120.2363 -DE/DX = 0.0 ! ! A49 A(13,14,20) 115.5269 -DE/DX = 0.0 ! ! A50 A(15,14,20) 119.2178 -DE/DX = 0.0 ! ! A51 A(10,15,14) 118.4444 -DE/DX = 0.0 ! ! A52 A(10,15,21) 119.7804 -DE/DX = 0.0 ! ! A53 A(14,15,21) 120.2901 -DE/DX = 0.0 ! ! A54 A(7,18,12) 123.5285 -DE/DX = 0.0 ! ! A55 A(7,19,13) 123.5112 -DE/DX = 0.0 ! ! D1 D(4,1,2,6) 143.7305 -DE/DX = 0.0 ! ! D2 D(4,1,2,8) -0.035 -DE/DX = 0.0 ! ! D3 D(4,1,2,11) -115.1677 -DE/DX = 0.0 ! ! D4 D(5,1,2,6) 0.1375 -DE/DX = 0.0 ! ! D5 D(5,1,2,8) -143.628 -DE/DX = 0.0 ! ! D6 D(5,1,2,11) 101.2393 -DE/DX = 0.0 ! ! D7 D(14,1,2,6) -101.1044 -DE/DX = 0.0 ! ! D8 D(14,1,2,8) 115.13 -DE/DX = 0.0 ! ! D9 D(14,1,2,11) -0.0026 -DE/DX = 0.0 ! ! D10 D(2,1,4,3) 5.6747 -DE/DX = 0.0 ! ! D11 D(5,1,4,3) 154.3883 -DE/DX = 0.0 ! ! D12 D(14,1,4,3) -109.4582 -DE/DX = 0.0 ! ! D13 D(2,1,14,13) -64.8919 -DE/DX = 0.0 ! ! D14 D(2,1,14,15) 56.5288 -DE/DX = 0.0 ! ! D15 D(2,1,14,20) 178.4145 -DE/DX = 0.0 ! ! D16 D(4,1,14,13) 51.6656 -DE/DX = 0.0 ! ! D17 D(4,1,14,15) 173.0862 -DE/DX = 0.0 ! ! D18 D(4,1,14,20) -65.028 -DE/DX = 0.0 ! ! D19 D(5,1,14,13) 166.6112 -DE/DX = 0.0 ! ! D20 D(5,1,14,15) -71.9682 -DE/DX = 0.0 ! ! D21 D(5,1,14,20) 49.9176 -DE/DX = 0.0 ! ! D22 D(1,2,8,3) -5.6188 -DE/DX = 0.0 ! ! D23 D(6,2,8,3) -154.4868 -DE/DX = 0.0 ! ! D24 D(11,2,8,3) 109.454 -DE/DX = 0.0 ! ! D25 D(1,2,11,10) -56.5178 -DE/DX = 0.0 ! ! D26 D(1,2,11,12) 64.9094 -DE/DX = 0.0 ! ! D27 D(1,2,11,17) -178.3972 -DE/DX = 0.0 ! ! D28 D(6,2,11,10) 71.9824 -DE/DX = 0.0 ! ! D29 D(6,2,11,12) -166.5904 -DE/DX = 0.0 ! ! D30 D(6,2,11,17) -49.8971 -DE/DX = 0.0 ! ! D31 D(8,2,11,10) -173.0721 -DE/DX = 0.0 ! ! D32 D(8,2,11,12) -51.6449 -DE/DX = 0.0 ! ! D33 D(8,2,11,17) 65.0484 -DE/DX = 0.0 ! ! D34 D(7,3,4,1) 110.4419 -DE/DX = 0.0 ! ! D35 D(8,3,4,1) -9.0516 -DE/DX = 0.0 ! ! D36 D(9,3,4,1) -128.3702 -DE/DX = 0.0 ! ! D37 D(4,3,7,18) -90.3069 -DE/DX = 0.0 ! ! D38 D(4,3,7,19) -27.6509 -DE/DX = 0.0 ! ! D39 D(8,3,7,18) 27.6538 -DE/DX = 0.0 ! ! D40 D(8,3,7,19) 90.3098 -DE/DX = 0.0 ! ! D41 D(9,3,7,18) 148.6665 -DE/DX = 0.0 ! ! D42 D(9,3,7,19) -148.6775 -DE/DX = 0.0 ! ! D43 D(4,3,8,2) 9.0302 -DE/DX = 0.0 ! ! D44 D(7,3,8,2) -110.4688 -DE/DX = 0.0 ! ! D45 D(9,3,8,2) 128.3531 -DE/DX = 0.0 ! ! D46 D(3,7,18,12) 72.6368 -DE/DX = 0.0 ! ! D47 D(19,7,18,12) -26.0308 -DE/DX = 0.0 ! ! D48 D(3,7,19,13) -72.5729 -DE/DX = 0.0 ! ! D49 D(18,7,19,13) 26.0719 -DE/DX = 0.0 ! ! D50 D(15,10,11,2) 65.2439 -DE/DX = 0.0 ! ! D51 D(15,10,11,12) -34.3928 -DE/DX = 0.0 ! ! D52 D(15,10,11,17) 171.6533 -DE/DX = 0.0 ! ! D53 D(16,10,11,2) -100.8617 -DE/DX = 0.0 ! ! D54 D(16,10,11,12) 159.5017 -DE/DX = 0.0 ! ! D55 D(16,10,11,17) 5.5477 -DE/DX = 0.0 ! ! D56 D(11,10,15,14) -0.0344 -DE/DX = 0.0 ! ! D57 D(11,10,15,21) -166.1778 -DE/DX = 0.0 ! ! D58 D(16,10,15,14) 166.143 -DE/DX = 0.0 ! ! D59 D(16,10,15,21) -0.0003 -DE/DX = 0.0 ! ! D60 D(2,11,12,13) -70.0361 -DE/DX = 0.0 ! ! D61 D(2,11,12,18) 54.9168 -DE/DX = 0.0 ! ! D62 D(2,11,12,22) 169.3454 -DE/DX = 0.0 ! ! D63 D(10,11,12,13) 32.5597 -DE/DX = 0.0 ! ! D64 D(10,11,12,18) 157.5125 -DE/DX = 0.0 ! ! D65 D(10,11,12,22) -88.0589 -DE/DX = 0.0 ! ! D66 D(17,11,12,13) -172.5714 -DE/DX = 0.0 ! ! D67 D(17,11,12,18) -47.6186 -DE/DX = 0.0 ! ! D68 D(17,11,12,22) 66.81 -DE/DX = 0.0 ! ! D69 D(11,12,13,14) 0.0597 -DE/DX = 0.0 ! ! D70 D(11,12,13,19) 123.8221 -DE/DX = 0.0 ! ! D71 D(11,12,13,23) -119.6353 -DE/DX = 0.0 ! ! D72 D(18,12,13,14) -123.7008 -DE/DX = 0.0 ! ! D73 D(18,12,13,19) 0.0616 -DE/DX = 0.0 ! ! D74 D(18,12,13,23) 116.6042 -DE/DX = 0.0 ! ! D75 D(22,12,13,14) 119.7642 -DE/DX = 0.0 ! ! D76 D(22,12,13,19) -116.4734 -DE/DX = 0.0 ! ! D77 D(22,12,13,23) 0.0693 -DE/DX = 0.0 ! ! D78 D(11,12,18,7) -101.5144 -DE/DX = 0.0 ! ! D79 D(13,12,18,7) 24.0523 -DE/DX = 0.0 ! ! D80 D(22,12,18,7) 142.761 -DE/DX = 0.0 ! ! D81 D(12,13,14,1) 70.0144 -DE/DX = 0.0 ! ! D82 D(12,13,14,15) -32.6704 -DE/DX = 0.0 ! ! D83 D(12,13,14,20) 172.5786 -DE/DX = 0.0 ! ! D84 D(19,13,14,1) -54.9389 -DE/DX = 0.0 ! ! D85 D(19,13,14,15) -157.6237 -DE/DX = 0.0 ! ! D86 D(19,13,14,20) 47.6253 -DE/DX = 0.0 ! ! D87 D(23,13,14,1) -169.3697 -DE/DX = 0.0 ! ! D88 D(23,13,14,15) 87.9454 -DE/DX = 0.0 ! ! D89 D(23,13,14,20) -66.8055 -DE/DX = 0.0 ! ! D90 D(12,13,19,7) -24.1453 -DE/DX = 0.0 ! ! D91 D(14,13,19,7) 101.4249 -DE/DX = 0.0 ! ! D92 D(23,13,19,7) -142.8589 -DE/DX = 0.0 ! ! D93 D(1,14,15,10) -65.256 -DE/DX = 0.0 ! ! D94 D(1,14,15,21) 100.8144 -DE/DX = 0.0 ! ! D95 D(13,14,15,10) 34.472 -DE/DX = 0.0 ! ! D96 D(13,14,15,21) -159.4575 -DE/DX = 0.0 ! ! D97 D(20,14,15,10) -171.6974 -DE/DX = 0.0 ! ! D98 D(20,14,15,21) -5.6269 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.389217 0.000000 3 C 2.263219 2.263010 0.000000 4 O 1.393024 2.264778 1.424398 0.000000 5 H 1.077298 2.212606 3.208847 2.081952 0.000000 6 H 2.212960 1.077241 3.209123 3.241905 2.689213 7 H 2.942536 2.942456 1.098658 2.073846 3.937611 8 O 2.264957 1.392771 1.424481 2.295870 3.241520 9 H 3.065524 3.065148 1.098005 2.072105 3.850109 10 C 3.200135 2.879013 4.710016 4.374042 3.489478 11 C 3.025984 2.316776 3.864206 3.930306 3.706047 12 C 3.205873 2.848774 3.438558 3.617328 4.061582 13 C 2.848056 3.206026 3.438335 3.083215 3.507872 14 C 2.314428 3.024885 3.862662 3.028363 2.527427 15 C 2.878016 3.200341 4.709692 3.987169 2.896380 16 H 3.956571 3.492973 5.547801 5.234017 4.092291 17 H 3.766945 2.720187 4.286031 4.623799 4.480601 18 H 3.327909 2.790720 2.832941 3.423695 4.335832 19 H 2.791083 3.328663 2.833248 2.507975 3.527012 20 H 2.718071 3.765937 4.284379 3.184624 2.630592 21 H 3.491853 3.956556 5.547296 4.655759 3.170335 22 H 4.284946 3.897708 4.434865 4.672125 5.091785 23 H 3.896700 4.284983 4.435050 4.072471 4.447441 6 7 8 9 10 6 H 0.000000 7 H 3.937551 0.000000 8 O 2.081996 2.073812 0.000000 9 H 3.850558 1.800054 2.072093 0.000000 10 C 2.896084 4.901495 3.987615 5.723719 0.000000 11 C 2.528076 3.925101 3.030052 4.879988 1.386533 12 C 3.507258 3.093962 3.083428 4.506981 2.517003 13 C 4.060803 3.093836 3.617102 4.506792 2.920206 14 C 3.704358 3.923953 3.928865 4.878412 2.400883 15 C 3.488749 4.901285 4.373830 5.723374 1.407756 16 H 3.170329 5.837151 4.656402 6.499768 1.088306 17 H 2.631132 4.368383 3.186467 5.195342 2.140827 18 H 3.525543 2.350966 2.507343 3.809480 3.382288 19 H 4.335997 2.351074 3.424023 3.809818 3.843659 20 H 4.479317 4.367115 4.622409 5.193624 3.386152 21 H 4.091561 5.836815 5.233646 6.499213 2.165184 22 H 4.447249 3.937338 4.072595 5.474942 2.989379 23 H 5.090660 3.937886 4.672152 5.475216 3.484751 11 12 13 14 15 11 C 0.000000 12 C 1.515066 0.000000 13 C 2.558823 1.558178 0.000000 14 C 2.729050 2.558961 1.515172 0.000000 15 C 2.400994 2.920518 2.516875 1.386675 0.000000 16 H 2.151438 3.490485 4.007480 3.379468 2.165166 17 H 1.089066 2.214548 3.538715 3.811688 3.386226 18 H 2.145582 1.095561 2.211022 3.325895 3.843458 19 H 3.326477 2.210979 1.095536 2.145663 3.382534 20 H 3.811816 3.538758 2.214504 1.089075 2.140864 21 H 3.379563 4.007782 3.490389 2.151644 1.088292 22 H 2.124803 1.098899 2.183148 3.278807 3.486056 23 H 3.277814 2.183154 1.098878 2.124747 2.988240 16 17 18 19 20 16 H 0.000000 17 H 2.468790 0.000000 18 H 4.285342 2.487471 0.000000 19 H 4.925203 4.214648 2.367059 0.000000 20 H 4.273623 4.889385 4.214076 2.487419 0.000000 21 H 2.488777 4.273645 4.924949 4.285607 2.468965 22 H 3.845279 2.574280 1.748709 2.908899 4.218468 23 H 4.523200 4.217813 2.909683 1.748745 2.574018 21 22 23 21 H 0.000000 22 H 4.524591 0.000000 23 H 3.844120 2.283818 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 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100698 1.0127064 0.9486475 1|1| IMPERIAL COLLEGE-CHWS-149|FTS|RB3LYP|6-31G(d)|C9H12O2|JS5515|08-F eb-2018|0||# opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity int egral=grid=ultrafine pop=full gfprint||Title Card Required||0,1|C,-0.7 58363,0.695426,-0.970141|C,-0.758699,-0.69379,-0.971668|C,-2.404332,-0 .000651,0.418535|O,-1.816008,1.147872,-0.184523|H,-0.506839,1.345961,- 1.791184|H,-0.505675,-1.343251,-1.793025|H,-2.200616,-0.001718,1.49814 1|O,-1.815718,-1.147997,-0.186672|H,-3.487676,-0.000683,0.239702|C,2.1 0991,-0.702752,-0.727296|C,1.19503,-1.364572,0.077354|C,0.792641,-0.78 0357,1.416085|C,0.792311,0.77782,1.417335|C,1.193076,1.364477,0.079065 |C,2.109284,0.705003,-0.726246|H,2.649751,-1.242425,-1.503011|H,1.0898 78,-2.44467,-0.014277|H,-0.180794,-1.185264,1.71396|H,-0.180964,1.1817 93,1.716902|H,1.087389,2.444713,-0.010399|H,2.648627,1.246351,-1.50112 1|H,1.507591,-1.143617,2.167395|H,1.507995,1.140201,2.168341||Version= EM64W-G09RevD.01|State=1-A|HF=-500.4886689|RMSD=8.146e-009|RMSF=1.381e -005|Dipole=-0.1147092,-0.0003778,-0.0986047|Polar=0.,0.,0.,0.,0.,0.|Q uadrupole=-1.1810564,-1.3275988,2.5086551,0.0022191,-1.9264502,-0.0030 717|PG=C01 [X(C9H12O2)]||@ WE LOSE BECAUSE WE WIN GAMBLERS, RECOLLECTING WHICH, TOSS THEIR DICE AGAIN.... EMILY DICKINSON BOLTS OF MELODY NO. 533 Job cpu time: 0 days 0 hours 10 minutes 30.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 14:09:26 2018. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/5=1,10=4,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas1.cc.ic.ac.uk\js5515\Desktop\3rdyearcomplab\Tutorial\Cope Rearrangement\EXOJMOL.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-0.758363,0.695426,-0.970141 C,0,-0.758699,-0.69379,-0.971668 C,0,-2.404332,-0.000651,0.418535 O,0,-1.816008,1.147872,-0.184523 H,0,-0.506839,1.345961,-1.791184 H,0,-0.505675,-1.343251,-1.793025 H,0,-2.200616,-0.001718,1.498141 O,0,-1.815718,-1.147997,-0.186672 H,0,-3.487676,-0.000683,0.239702 C,0,2.10991,-0.702752,-0.727296 C,0,1.19503,-1.364572,0.077354 C,0,0.792641,-0.780357,1.416085 C,0,0.792311,0.77782,1.417335 C,0,1.193076,1.364477,0.079065 C,0,2.109284,0.705003,-0.726246 H,0,2.649751,-1.242425,-1.503011 H,0,1.089878,-2.44467,-0.014277 H,0,-0.180794,-1.185264,1.71396 H,0,-0.180964,1.181793,1.716902 H,0,1.087389,2.444713,-0.010399 H,0,2.648627,1.246351,-1.501121 H,0,1.507591,-1.143617,2.167395 H,0,1.507995,1.140201,2.168341 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3892 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.393 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0773 calculate D2E/DX2 analytically ! ! R4 R(1,14) 2.3144 calculate D2E/DX2 analytically ! ! R5 R(2,6) 1.0772 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.3928 calculate D2E/DX2 analytically ! ! R7 R(2,11) 2.3168 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4244 calculate D2E/DX2 analytically ! ! R9 R(3,7) 1.0987 calculate D2E/DX2 analytically ! ! R10 R(3,8) 1.4245 calculate D2E/DX2 analytically ! ! R11 R(3,9) 1.098 calculate D2E/DX2 analytically ! ! R12 R(7,18) 2.351 calculate D2E/DX2 analytically ! ! R13 R(7,19) 2.3511 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.3865 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.4078 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.5151 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0891 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5582 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0956 calculate D2E/DX2 analytically ! ! R21 R(12,22) 1.0989 calculate D2E/DX2 analytically ! ! R22 R(13,14) 1.5152 calculate D2E/DX2 analytically ! ! R23 R(13,19) 1.0955 calculate D2E/DX2 analytically ! ! R24 R(13,23) 1.0989 calculate D2E/DX2 analytically ! ! R25 R(14,15) 1.3867 calculate D2E/DX2 analytically ! ! R26 R(14,20) 1.0891 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0883 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9795 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 127.0905 calculate D2E/DX2 analytically ! ! A3 A(2,1,14) 106.8448 calculate D2E/DX2 analytically ! ! A4 A(4,1,5) 114.2647 calculate D2E/DX2 analytically ! ! A5 A(4,1,14) 106.8945 calculate D2E/DX2 analytically ! ! A6 A(5,1,14) 88.5146 calculate D2E/DX2 analytically ! ! A7 A(1,2,6) 127.1335 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 109.0069 calculate D2E/DX2 analytically ! ! A9 A(1,2,11) 106.788 calculate D2E/DX2 analytically ! ! A10 A(6,2,8) 114.2919 calculate D2E/DX2 analytically ! ! A11 A(6,2,11) 88.4303 calculate D2E/DX2 analytically ! ! A12 A(8,2,11) 106.8806 calculate D2E/DX2 analytically ! ! A13 A(4,3,7) 109.8911 calculate D2E/DX2 analytically ! ! A14 A(4,3,8) 107.3917 calculate D2E/DX2 analytically ! ! A15 A(4,3,9) 109.7908 calculate D2E/DX2 analytically ! ! A16 A(7,3,8) 109.8825 calculate D2E/DX2 analytically ! ! A17 A(7,3,9) 110.0593 calculate D2E/DX2 analytically ! ! A18 A(8,3,9) 109.784 calculate D2E/DX2 analytically ! ! A19 A(1,4,3) 106.8864 calculate D2E/DX2 analytically ! ! A20 A(3,7,18) 104.4776 calculate D2E/DX2 analytically ! ! A21 A(3,7,19) 104.4911 calculate D2E/DX2 analytically ! ! A22 A(18,7,19) 60.4519 calculate D2E/DX2 analytically ! ! A23 A(2,8,3) 106.8814 calculate D2E/DX2 analytically ! ! A24 A(11,10,15) 118.4632 calculate D2E/DX2 analytically ! ! A25 A(11,10,16) 120.2817 calculate D2E/DX2 analytically ! ! A26 A(15,10,16) 119.7777 calculate D2E/DX2 analytically ! ! A27 A(2,11,10) 98.9437 calculate D2E/DX2 analytically ! ! A28 A(2,11,12) 93.6968 calculate D2E/DX2 analytically ! ! A29 A(2,11,17) 99.65 calculate D2E/DX2 analytically ! ! A30 A(10,11,12) 120.2636 calculate D2E/DX2 analytically ! ! A31 A(10,11,17) 119.227 calculate D2E/DX2 analytically ! ! A32 A(12,11,17) 115.5393 calculate D2E/DX2 analytically ! ! A33 A(11,12,13) 112.7287 calculate D2E/DX2 analytically ! ! A34 A(11,12,18) 109.4946 calculate D2E/DX2 analytically ! ! A35 A(11,12,22) 107.6894 calculate D2E/DX2 analytically ! ! A36 A(13,12,18) 111.6652 calculate D2E/DX2 analytically ! ! A37 A(13,12,22) 109.2783 calculate D2E/DX2 analytically ! ! A38 A(18,12,22) 105.6652 calculate D2E/DX2 analytically ! ! A39 A(12,13,14) 112.7322 calculate D2E/DX2 analytically ! ! A40 A(12,13,19) 111.6633 calculate D2E/DX2 analytically ! ! A41 A(12,13,23) 109.2799 calculate D2E/DX2 analytically ! ! A42 A(14,13,19) 109.4952 calculate D2E/DX2 analytically ! ! A43 A(14,13,23) 107.6791 calculate D2E/DX2 analytically ! ! A44 A(19,13,23) 105.6715 calculate D2E/DX2 analytically ! ! A45 A(1,14,13) 93.7532 calculate D2E/DX2 analytically ! ! A46 A(1,14,15) 98.9948 calculate D2E/DX2 analytically ! ! A47 A(1,14,20) 99.6523 calculate D2E/DX2 analytically ! ! A48 A(13,14,15) 120.2363 calculate D2E/DX2 analytically ! ! A49 A(13,14,20) 115.5269 calculate D2E/DX2 analytically ! ! A50 A(15,14,20) 119.2178 calculate D2E/DX2 analytically ! ! A51 A(10,15,14) 118.4444 calculate D2E/DX2 analytically ! ! A52 A(10,15,21) 119.7804 calculate D2E/DX2 analytically ! ! A53 A(14,15,21) 120.2901 calculate D2E/DX2 analytically ! ! A54 A(7,18,12) 123.5285 calculate D2E/DX2 analytically ! ! A55 A(7,19,13) 123.5112 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,6) 143.7305 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,8) -0.035 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,11) -115.1677 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,6) 0.1375 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,8) -143.628 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,11) 101.2393 calculate D2E/DX2 analytically ! ! D7 D(14,1,2,6) -101.1044 calculate D2E/DX2 analytically ! ! D8 D(14,1,2,8) 115.13 calculate D2E/DX2 analytically ! ! D9 D(14,1,2,11) -0.0026 calculate D2E/DX2 analytically ! ! D10 D(2,1,4,3) 5.6747 calculate D2E/DX2 analytically ! ! D11 D(5,1,4,3) 154.3883 calculate D2E/DX2 analytically ! ! D12 D(14,1,4,3) -109.4582 calculate D2E/DX2 analytically ! ! D13 D(2,1,14,13) -64.8919 calculate D2E/DX2 analytically ! ! D14 D(2,1,14,15) 56.5288 calculate D2E/DX2 analytically ! ! D15 D(2,1,14,20) 178.4145 calculate D2E/DX2 analytically ! ! D16 D(4,1,14,13) 51.6656 calculate D2E/DX2 analytically ! ! D17 D(4,1,14,15) 173.0862 calculate D2E/DX2 analytically ! ! D18 D(4,1,14,20) -65.028 calculate D2E/DX2 analytically ! ! D19 D(5,1,14,13) 166.6112 calculate D2E/DX2 analytically ! ! D20 D(5,1,14,15) -71.9682 calculate D2E/DX2 analytically ! ! D21 D(5,1,14,20) 49.9176 calculate D2E/DX2 analytically ! ! D22 D(1,2,8,3) -5.6188 calculate D2E/DX2 analytically ! ! D23 D(6,2,8,3) -154.4868 calculate D2E/DX2 analytically ! ! D24 D(11,2,8,3) 109.454 calculate D2E/DX2 analytically ! ! D25 D(1,2,11,10) -56.5178 calculate D2E/DX2 analytically ! ! D26 D(1,2,11,12) 64.9094 calculate D2E/DX2 analytically ! ! D27 D(1,2,11,17) -178.3972 calculate D2E/DX2 analytically ! ! D28 D(6,2,11,10) 71.9824 calculate D2E/DX2 analytically ! ! D29 D(6,2,11,12) -166.5904 calculate D2E/DX2 analytically ! ! D30 D(6,2,11,17) -49.8971 calculate D2E/DX2 analytically ! ! D31 D(8,2,11,10) -173.0721 calculate D2E/DX2 analytically ! ! D32 D(8,2,11,12) -51.6449 calculate D2E/DX2 analytically ! ! D33 D(8,2,11,17) 65.0484 calculate D2E/DX2 analytically ! ! D34 D(7,3,4,1) 110.4419 calculate D2E/DX2 analytically ! ! D35 D(8,3,4,1) -9.0516 calculate D2E/DX2 analytically ! ! D36 D(9,3,4,1) -128.3702 calculate D2E/DX2 analytically ! ! D37 D(4,3,7,18) -90.3069 calculate D2E/DX2 analytically ! ! D38 D(4,3,7,19) -27.6509 calculate D2E/DX2 analytically ! ! D39 D(8,3,7,18) 27.6538 calculate D2E/DX2 analytically ! ! D40 D(8,3,7,19) 90.3098 calculate D2E/DX2 analytically ! ! D41 D(9,3,7,18) 148.6665 calculate D2E/DX2 analytically ! ! D42 D(9,3,7,19) -148.6775 calculate D2E/DX2 analytically ! ! D43 D(4,3,8,2) 9.0302 calculate D2E/DX2 analytically ! ! D44 D(7,3,8,2) -110.4688 calculate D2E/DX2 analytically ! ! D45 D(9,3,8,2) 128.3531 calculate D2E/DX2 analytically ! ! D46 D(3,7,18,12) 72.6368 calculate D2E/DX2 analytically ! ! D47 D(19,7,18,12) -26.0308 calculate D2E/DX2 analytically ! ! D48 D(3,7,19,13) -72.5729 calculate D2E/DX2 analytically ! ! D49 D(18,7,19,13) 26.0719 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,2) 65.2439 calculate D2E/DX2 analytically ! ! D51 D(15,10,11,12) -34.3928 calculate D2E/DX2 analytically ! ! D52 D(15,10,11,17) 171.6533 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,2) -100.8617 calculate D2E/DX2 analytically ! ! D54 D(16,10,11,12) 159.5017 calculate D2E/DX2 analytically ! ! D55 D(16,10,11,17) 5.5477 calculate D2E/DX2 analytically ! ! D56 D(11,10,15,14) -0.0344 calculate D2E/DX2 analytically ! ! D57 D(11,10,15,21) -166.1778 calculate D2E/DX2 analytically ! ! D58 D(16,10,15,14) 166.143 calculate D2E/DX2 analytically ! ! D59 D(16,10,15,21) -0.0003 calculate D2E/DX2 analytically ! ! D60 D(2,11,12,13) -70.0361 calculate D2E/DX2 analytically ! ! D61 D(2,11,12,18) 54.9168 calculate D2E/DX2 analytically ! ! D62 D(2,11,12,22) 169.3454 calculate D2E/DX2 analytically ! ! D63 D(10,11,12,13) 32.5597 calculate D2E/DX2 analytically ! ! D64 D(10,11,12,18) 157.5125 calculate D2E/DX2 analytically ! ! D65 D(10,11,12,22) -88.0589 calculate D2E/DX2 analytically ! ! D66 D(17,11,12,13) -172.5714 calculate D2E/DX2 analytically ! ! D67 D(17,11,12,18) -47.6186 calculate D2E/DX2 analytically ! ! D68 D(17,11,12,22) 66.81 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,14) 0.0597 calculate D2E/DX2 analytically ! ! D70 D(11,12,13,19) 123.8221 calculate D2E/DX2 analytically ! ! D71 D(11,12,13,23) -119.6353 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,14) -123.7008 calculate D2E/DX2 analytically ! ! D73 D(18,12,13,19) 0.0616 calculate D2E/DX2 analytically ! ! D74 D(18,12,13,23) 116.6042 calculate D2E/DX2 analytically ! ! D75 D(22,12,13,14) 119.7642 calculate D2E/DX2 analytically ! ! D76 D(22,12,13,19) -116.4734 calculate D2E/DX2 analytically ! ! D77 D(22,12,13,23) 0.0693 calculate D2E/DX2 analytically ! ! D78 D(11,12,18,7) -101.5144 calculate D2E/DX2 analytically ! ! D79 D(13,12,18,7) 24.0523 calculate D2E/DX2 analytically ! ! D80 D(22,12,18,7) 142.761 calculate D2E/DX2 analytically ! ! D81 D(12,13,14,1) 70.0144 calculate D2E/DX2 analytically ! ! D82 D(12,13,14,15) -32.6704 calculate D2E/DX2 analytically ! ! D83 D(12,13,14,20) 172.5786 calculate D2E/DX2 analytically ! ! D84 D(19,13,14,1) -54.9389 calculate D2E/DX2 analytically ! ! D85 D(19,13,14,15) -157.6237 calculate D2E/DX2 analytically ! ! D86 D(19,13,14,20) 47.6253 calculate D2E/DX2 analytically ! ! D87 D(23,13,14,1) -169.3697 calculate D2E/DX2 analytically ! ! D88 D(23,13,14,15) 87.9454 calculate D2E/DX2 analytically ! ! D89 D(23,13,14,20) -66.8055 calculate D2E/DX2 analytically ! ! D90 D(12,13,19,7) -24.1453 calculate D2E/DX2 analytically ! ! D91 D(14,13,19,7) 101.4249 calculate D2E/DX2 analytically ! ! D92 D(23,13,19,7) -142.8589 calculate D2E/DX2 analytically ! ! D93 D(1,14,15,10) -65.256 calculate D2E/DX2 analytically ! ! D94 D(1,14,15,21) 100.8144 calculate D2E/DX2 analytically ! ! D95 D(13,14,15,10) 34.472 calculate D2E/DX2 analytically ! ! D96 D(13,14,15,21) -159.4575 calculate D2E/DX2 analytically ! ! D97 D(20,14,15,10) -171.6974 calculate D2E/DX2 analytically ! ! D98 D(20,14,15,21) -5.6269 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 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.389217 0.000000 3 C 2.263219 2.263010 0.000000 4 O 1.393024 2.264778 1.424398 0.000000 5 H 1.077298 2.212606 3.208847 2.081952 0.000000 6 H 2.212960 1.077241 3.209123 3.241905 2.689213 7 H 2.942536 2.942456 1.098658 2.073846 3.937611 8 O 2.264957 1.392771 1.424481 2.295870 3.241520 9 H 3.065524 3.065148 1.098005 2.072105 3.850109 10 C 3.200135 2.879013 4.710016 4.374042 3.489478 11 C 3.025984 2.316776 3.864206 3.930306 3.706047 12 C 3.205873 2.848774 3.438558 3.617328 4.061582 13 C 2.848056 3.206026 3.438335 3.083215 3.507872 14 C 2.314428 3.024885 3.862662 3.028363 2.527427 15 C 2.878016 3.200341 4.709692 3.987169 2.896380 16 H 3.956571 3.492973 5.547801 5.234017 4.092291 17 H 3.766945 2.720187 4.286031 4.623799 4.480601 18 H 3.327909 2.790720 2.832941 3.423695 4.335832 19 H 2.791083 3.328663 2.833248 2.507975 3.527012 20 H 2.718071 3.765937 4.284379 3.184624 2.630592 21 H 3.491853 3.956556 5.547296 4.655759 3.170335 22 H 4.284946 3.897708 4.434865 4.672125 5.091785 23 H 3.896700 4.284983 4.435050 4.072471 4.447441 6 7 8 9 10 6 H 0.000000 7 H 3.937551 0.000000 8 O 2.081996 2.073812 0.000000 9 H 3.850558 1.800054 2.072093 0.000000 10 C 2.896084 4.901495 3.987615 5.723719 0.000000 11 C 2.528076 3.925101 3.030052 4.879988 1.386533 12 C 3.507258 3.093962 3.083428 4.506981 2.517003 13 C 4.060803 3.093836 3.617102 4.506792 2.920206 14 C 3.704358 3.923953 3.928865 4.878412 2.400883 15 C 3.488749 4.901285 4.373830 5.723374 1.407756 16 H 3.170329 5.837151 4.656402 6.499768 1.088306 17 H 2.631132 4.368383 3.186467 5.195342 2.140827 18 H 3.525543 2.350966 2.507343 3.809480 3.382288 19 H 4.335997 2.351074 3.424023 3.809818 3.843659 20 H 4.479317 4.367115 4.622409 5.193624 3.386152 21 H 4.091561 5.836815 5.233646 6.499213 2.165184 22 H 4.447249 3.937338 4.072595 5.474942 2.989379 23 H 5.090660 3.937886 4.672152 5.475216 3.484751 11 12 13 14 15 11 C 0.000000 12 C 1.515066 0.000000 13 C 2.558823 1.558178 0.000000 14 C 2.729050 2.558961 1.515172 0.000000 15 C 2.400994 2.920518 2.516875 1.386675 0.000000 16 H 2.151438 3.490485 4.007480 3.379468 2.165166 17 H 1.089066 2.214548 3.538715 3.811688 3.386226 18 H 2.145582 1.095561 2.211022 3.325895 3.843458 19 H 3.326477 2.210979 1.095536 2.145663 3.382534 20 H 3.811816 3.538758 2.214504 1.089075 2.140864 21 H 3.379563 4.007782 3.490389 2.151644 1.088292 22 H 2.124803 1.098899 2.183148 3.278807 3.486056 23 H 3.277814 2.183154 1.098878 2.124747 2.988240 16 17 18 19 20 16 H 0.000000 17 H 2.468790 0.000000 18 H 4.285342 2.487471 0.000000 19 H 4.925203 4.214648 2.367059 0.000000 20 H 4.273623 4.889385 4.214076 2.487419 0.000000 21 H 2.488777 4.273645 4.924949 4.285607 2.468965 22 H 3.845279 2.574280 1.748709 2.908899 4.218468 23 H 4.523200 4.217813 2.909683 1.748745 2.574018 21 22 23 21 H 0.000000 22 H 4.524591 0.000000 23 H 3.844120 2.283818 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 -0.758363 0.695426 -0.970141 2 6 0 -0.758699 -0.693790 -0.971668 3 6 0 -2.404332 -0.000651 0.418535 4 8 0 -1.816008 1.147872 -0.184523 5 1 0 -0.506839 1.345961 -1.791184 6 1 0 -0.505675 -1.343251 -1.793025 7 1 0 -2.200616 -0.001718 1.498141 8 8 0 -1.815718 -1.147997 -0.186672 9 1 0 -3.487676 -0.000683 0.239702 10 6 0 2.109910 -0.702752 -0.727296 11 6 0 1.195030 -1.364572 0.077354 12 6 0 0.792641 -0.780357 1.416085 13 6 0 0.792311 0.777820 1.417335 14 6 0 1.193076 1.364477 0.079065 15 6 0 2.109284 0.705003 -0.726246 16 1 0 2.649751 -1.242425 -1.503011 17 1 0 1.089878 -2.444670 -0.014277 18 1 0 -0.180794 -1.185264 1.713960 19 1 0 -0.180964 1.181793 1.716902 20 1 0 1.087389 2.444713 -0.010399 21 1 0 2.648627 1.246351 -1.501121 22 1 0 1.507591 -1.143617 2.167395 23 1 0 1.507995 1.140201 2.168341 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100698 1.0127064 0.9486475 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.433098645619 1.314164225518 -1.833300846375 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 -1.433098645619 1.314164225518 -1.833300846375 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 -1.433098645619 1.314164225518 -1.833300846375 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.433098645619 1.314164225518 -1.833300846375 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.433733383872 -1.311073553956 -1.836186458180 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 -1.433733383872 -1.311073553956 -1.836186458180 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 -1.433733383872 -1.311073553956 -1.836186458180 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.433733383872 -1.311073553956 -1.836186458180 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -4.543529173753 -0.001230920373 0.790916480936 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -4.543529173753 -0.001230920373 0.790916480936 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -4.543529173753 -0.001230920373 0.790916480936 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -4.543529173753 -0.001230920373 0.790916480936 0.8000000000D+00 0.1000000000D+01 Atom O4 Shell 13 S 6 bf 46 - 46 -3.431758109740 2.169163095766 -0.348697981309 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 O4 Shell 14 SP 3 bf 47 - 50 -3.431758109740 2.169163095766 -0.348697981309 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 O4 Shell 15 SP 1 bf 51 - 54 -3.431758109740 2.169163095766 -0.348697981309 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O4 Shell 16 D 1 bf 55 - 60 -3.431758109740 2.169163095766 -0.348697981309 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 -0.957787267982 2.543497253346 -3.384847259698 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 -0.957787267982 2.543497253346 -3.384847259698 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 -0.955587220776 -2.538376939747 -3.388326245508 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 -0.955587220776 -2.538376939747 -3.388326245508 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 -4.158561724705 -0.003247227402 2.831076152357 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 -4.158561724705 -0.003247227402 2.831076152357 0.1612777588D+00 0.1000000000D+01 Atom O8 Shell 23 S 6 bf 67 - 67 -3.431209742557 -2.169400551172 -0.352759002769 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 O8 Shell 24 SP 3 bf 68 - 71 -3.431209742557 -2.169400551172 -0.352759002769 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 O8 Shell 25 SP 1 bf 72 - 75 -3.431209742557 -2.169400551172 -0.352759002769 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O8 Shell 26 D 1 bf 76 - 81 -3.431209742557 -2.169400551172 -0.352759002769 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 -6.590752641453 -0.001291555160 0.452971087414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 -6.590752641453 -0.001291555160 0.452971087414 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 3.987152009812 -1.328008846489 -1.374390303634 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C10 Shell 30 SP 3 bf 85 - 88 3.987152009812 -1.328008846489 -1.374390303634 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C10 Shell 31 SP 1 bf 89 - 92 3.987152009812 -1.328008846489 -1.374390303634 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 3.987152009812 -1.328008846489 -1.374390303634 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 2.258279465272 -2.578667533874 0.146177829192 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 C11 Shell 34 SP 3 bf 100 - 103 2.258279465272 -2.578667533874 0.146177829192 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 C11 Shell 35 SP 1 bf 104 - 107 2.258279465272 -2.578667533874 0.146177829192 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 2.258279465272 -2.578667533874 0.146177829192 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 1.497874368188 -1.474661241898 2.676012784796 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C12 Shell 38 SP 3 bf 115 - 118 1.497874368188 -1.474661241898 2.676012784796 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C12 Shell 39 SP 1 bf 119 - 122 1.497874368188 -1.474661241898 2.676012784796 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 1.497874368188 -1.474661241898 2.676012784796 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 1.497250523328 1.469866554614 2.678374942463 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 42 SP 3 bf 130 - 133 1.497250523328 1.469866554614 2.678374942463 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 43 SP 1 bf 134 - 137 1.497250523328 1.469866554614 2.678374942463 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 1.497250523328 1.469866554614 2.678374942463 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 2.254586528407 2.578487679057 0.149411150606 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C14 Shell 46 SP 3 bf 145 - 148 2.254586528407 2.578487679057 0.149411150606 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C14 Shell 47 SP 1 bf 149 - 152 2.254586528407 2.578487679057 0.149411150606 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 2.254586528407 2.578487679057 0.149411150606 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 3.985968828726 1.332262565617 -1.372406091195 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 50 SP 3 bf 160 - 163 3.985968828726 1.332262565617 -1.372406091195 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 51 SP 1 bf 164 - 167 3.985968828726 1.332262565617 -1.372406091195 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 3.985968828726 1.332262565617 -1.372406091195 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 5.007303736589 -2.347842936303 -2.840279210805 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 54 S 1 bf 175 - 175 5.007303736589 -2.347842936303 -2.840279210805 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 2.059571146007 -4.619756966426 -0.026979666090 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 56 S 1 bf 177 - 177 2.059571146007 -4.619756966426 -0.026979666090 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 -0.341651128849 -2.239824728144 3.238914956630 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 -0.341651128849 -2.239824728144 3.238914956630 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 -0.341972739643 2.233264742760 3.244474530913 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 -0.341972739643 2.233264742760 3.244474530913 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 2.054866879519 4.619837861985 -0.019651308147 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 2.054866879519 4.619837861985 -0.019651308147 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 5.005179308689 2.355262109626 -2.836707628414 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 5.005179308689 2.355262109626 -2.836707628414 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 2.848934121735 -2.161123048995 4.095782925695 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 2.848934121735 -2.161123048995 4.095782925695 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 2.849697226308 2.154667508421 4.097570606617 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 2.849697226308 2.154667508421 4.097570606617 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 650.5283742371 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: "\\icnas1.cc.ic.ac.uk\js5515\Desktop\3rdyearcomplab\Tutorial\Cope Rearrangement\EXOJMOL.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668922 A.U. after 1 cycles NFock= 1 Conv=0.39D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.78D+02 8.75D+00. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 2.96D+01 1.04D+00. 69 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 2.55D-01 9.84D-02. 69 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 6.80D-04 4.84D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.04D-06 1.29D-04. 49 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.07D-10 3.72D-06. 6 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 7.46D-13 1.23D-07. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 6.22D-16 3.06D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 402 with 72 vectors. Isotropic polarizability for W= 0.000000 101.29 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38415 -0.37327 -0.35526 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 Alpha occ. eigenvalues -- -0.18559 Alpha virt. eigenvalues -- -0.00698 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12248 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17145 0.17765 0.19270 0.19776 Alpha virt. eigenvalues -- 0.20300 0.22884 0.23612 0.24271 0.24912 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50829 0.52317 Alpha virt. eigenvalues -- 0.54652 0.54788 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60744 0.61336 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71284 0.72293 0.74095 0.75191 Alpha virt. eigenvalues -- 0.77536 0.79576 0.79877 0.81068 0.82848 Alpha virt. eigenvalues -- 0.84204 0.85443 0.86451 0.88061 0.88446 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91382 0.93717 Alpha virt. eigenvalues -- 0.94029 0.95122 1.00794 1.01440 1.02297 Alpha virt. eigenvalues -- 1.02721 1.09206 1.09919 1.11415 1.14920 Alpha virt. eigenvalues -- 1.15183 1.18942 1.20406 1.25129 1.26441 Alpha virt. eigenvalues -- 1.36726 1.37043 1.39833 1.42713 1.43216 Alpha virt. eigenvalues -- 1.43858 1.47573 1.49205 1.52643 1.58529 Alpha virt. eigenvalues -- 1.63998 1.66107 1.72043 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79420 1.86000 1.87776 1.88533 Alpha virt. eigenvalues -- 1.90842 1.93559 1.95825 1.97651 1.97837 Alpha virt. eigenvalues -- 1.98103 2.00055 2.01937 2.04156 2.08888 Alpha virt. eigenvalues -- 2.12024 2.14080 2.16027 2.23008 2.25487 Alpha virt. eigenvalues -- 2.26205 2.27983 2.29195 2.30956 2.31854 Alpha virt. eigenvalues -- 2.37118 2.40151 2.43437 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52229 2.54539 2.59889 2.62740 Alpha virt. eigenvalues -- 2.64517 2.67570 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76595 2.80387 2.86686 2.87993 2.94456 Alpha virt. eigenvalues -- 3.10579 3.13118 4.00625 4.10573 4.12767 Alpha virt. eigenvalues -- 4.25201 4.26810 4.36205 4.37019 4.44856 Alpha virt. eigenvalues -- 4.48935 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00001 0.00001 -0.00012 0.69478 0.70954 2 2S 0.00005 0.00031 -0.00038 0.03423 0.03596 3 2PX 0.00005 -0.00026 -0.00006 -0.00040 -0.00036 4 2PY 0.00002 0.00015 0.00014 0.00024 -0.00010 5 2PZ -0.00004 0.00020 0.00002 0.00060 0.00067 6 3S 0.00032 -0.00224 0.00089 -0.00697 -0.01907 7 3PX -0.00042 0.00102 -0.00066 -0.00005 0.00024 8 3PY -0.00004 -0.00064 -0.00057 -0.00052 0.00480 9 3PZ 0.00045 -0.00086 0.00080 -0.00078 -0.00265 10 4XX -0.00004 0.00012 0.00007 -0.00633 -0.00618 11 4YY -0.00011 0.00010 -0.00003 -0.00639 -0.00596 12 4ZZ -0.00004 0.00005 -0.00003 -0.00628 -0.00611 13 4XY -0.00002 -0.00008 0.00004 -0.00009 0.00002 14 4XZ 0.00002 -0.00007 -0.00018 -0.00019 -0.00019 15 4YZ 0.00003 0.00007 0.00000 -0.00007 -0.00001 16 2 C 1S 0.00001 -0.00001 -0.00012 0.70921 -0.69512 17 2S 0.00030 0.00007 -0.00038 0.03496 -0.03525 18 2PX -0.00026 0.00004 -0.00006 -0.00041 0.00036 19 2PY -0.00015 -0.00002 -0.00014 -0.00024 -0.00010 20 2PZ 0.00021 -0.00003 0.00002 0.00061 -0.00066 21 3S -0.00225 0.00022 0.00089 -0.00734 0.01891 22 3PX 0.00104 -0.00037 -0.00066 -0.00005 -0.00024 23 3PY 0.00064 0.00007 0.00057 0.00043 0.00481 24 3PZ -0.00088 0.00041 0.00081 -0.00083 0.00264 25 4XX 0.00012 -0.00003 0.00007 -0.00645 0.00605 26 4YY 0.00010 -0.00011 -0.00003 -0.00651 0.00583 27 4ZZ 0.00006 -0.00003 -0.00003 -0.00641 0.00598 28 4XY 0.00008 0.00002 -0.00004 0.00009 0.00002 29 4XZ -0.00007 0.00001 -0.00018 -0.00019 0.00019 30 4YZ -0.00007 -0.00003 0.00000 0.00007 -0.00001 31 3 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 32 2S 0.00024 0.00025 0.04864 -0.00058 -0.00001 33 2PX 0.00011 0.00012 0.00077 0.00008 0.00000 34 2PY -0.00030 0.00029 0.00000 0.00000 -0.00008 35 2PZ -0.00014 -0.00015 -0.00067 -0.00010 0.00000 36 3S -0.00197 -0.00207 -0.01350 0.00274 0.00003 37 3PX -0.00029 -0.00031 -0.00060 0.00136 0.00001 38 3PY 0.00082 -0.00079 0.00000 0.00000 -0.00025 39 3PZ 0.00040 0.00042 -0.00001 -0.00099 -0.00001 40 4XX 0.00006 0.00006 -0.00875 0.00007 0.00000 41 4YY 0.00027 0.00028 -0.00875 0.00003 0.00000 42 4ZZ 0.00007 0.00007 -0.00878 0.00002 0.00000 43 4XY -0.00010 0.00009 0.00000 0.00000 0.00002 44 4XZ -0.00007 -0.00007 -0.00006 -0.00025 0.00000 45 4YZ 0.00012 -0.00011 0.00000 0.00000 -0.00003 46 4 O 1S -0.02243 0.99245 -0.00007 -0.00003 -0.00014 47 2S -0.00052 0.02573 0.00001 0.00009 -0.00035 48 2PX -0.00001 0.00026 0.00009 -0.00008 -0.00006 49 2PY 0.00004 -0.00088 0.00000 -0.00004 0.00003 50 2PZ 0.00002 -0.00010 -0.00006 0.00006 0.00002 51 3S -0.00049 0.01319 0.00114 -0.00003 0.00352 52 3PX -0.00012 0.00035 -0.00053 0.00028 0.00045 53 3PY -0.00009 -0.00038 0.00039 0.00073 -0.00031 54 3PZ 0.00001 -0.00015 0.00039 -0.00014 0.00007 55 4XX 0.00021 -0.00822 -0.00010 -0.00015 -0.00039 56 4YY 0.00015 -0.00830 -0.00050 -0.00003 -0.00038 57 4ZZ 0.00021 -0.00822 -0.00002 -0.00008 -0.00034 58 4XY 0.00001 -0.00001 -0.00016 0.00009 0.00017 59 4XZ 0.00002 0.00004 0.00020 0.00031 0.00038 60 4YZ 0.00000 0.00002 0.00020 -0.00004 -0.00013 61 5 H 1S 0.00005 0.00011 0.00006 -0.00026 -0.00012 62 2S 0.00011 0.00004 0.00039 0.00139 0.00072 63 6 H 1S 0.00010 0.00005 0.00006 -0.00026 0.00012 64 2S 0.00003 0.00012 0.00039 0.00140 -0.00069 65 7 H 1S 0.00008 0.00008 -0.00007 -0.00013 0.00000 66 2S 0.00012 0.00012 0.00276 -0.00005 0.00000 67 8 O 1S 0.99245 0.02244 -0.00007 -0.00004 0.00014 68 2S 0.02573 0.00065 0.00001 0.00009 0.00035 69 2PX 0.00026 0.00000 0.00009 -0.00008 0.00006 70 2PY 0.00088 0.00000 0.00000 0.00004 0.00004 71 2PZ -0.00010 0.00002 -0.00006 0.00006 -0.00002 72 3S 0.01320 0.00011 0.00114 0.00004 -0.00351 73 3PX 0.00036 -0.00010 -0.00053 0.00028 -0.00045 74 3PY 0.00038 0.00010 -0.00039 -0.00072 -0.00032 75 3PZ -0.00015 0.00000 0.00039 -0.00014 -0.00008 76 4XX -0.00822 -0.00016 -0.00010 -0.00016 0.00038 77 4YY -0.00830 -0.00023 -0.00050 -0.00004 0.00038 78 4ZZ -0.00822 -0.00017 -0.00002 -0.00008 0.00034 79 4XY 0.00001 -0.00001 0.00016 -0.00010 0.00017 80 4XZ 0.00004 0.00002 0.00020 0.00032 -0.00037 81 4YZ -0.00002 0.00000 -0.00020 0.00005 -0.00013 82 9 H 1S 0.00012 0.00013 -0.00018 -0.00007 0.00000 83 2S 0.00009 0.00010 0.00240 0.00015 0.00000 84 10 C 1S 0.00002 0.00000 -0.00002 -0.00009 0.00004 85 2S 0.00011 -0.00002 -0.00007 -0.00010 0.00006 86 2PX -0.00001 0.00000 0.00002 0.00007 -0.00005 87 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 88 2PZ -0.00002 -0.00001 0.00001 0.00003 0.00001 89 3S -0.00111 0.00037 0.00019 0.00039 0.00111 90 3PX 0.00043 -0.00016 -0.00024 0.00003 -0.00054 91 3PY -0.00010 0.00025 0.00025 -0.00018 0.00035 92 3PZ -0.00024 0.00015 0.00019 -0.00007 0.00056 93 4XX 0.00001 0.00000 -0.00001 -0.00007 0.00003 94 4YY 0.00002 0.00000 -0.00003 -0.00006 0.00005 95 4ZZ 0.00004 0.00000 -0.00003 -0.00007 0.00004 96 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 97 4XZ 0.00002 0.00000 -0.00002 0.00000 0.00001 98 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 99 11 C 1S -0.00002 0.00001 0.00004 -0.00011 0.00022 100 2S -0.00015 0.00003 0.00012 -0.00042 0.00084 101 2PX -0.00002 -0.00002 -0.00003 0.00010 -0.00008 102 2PY 0.00000 0.00000 0.00006 -0.00009 0.00015 103 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 104 3S 0.00108 -0.00038 -0.00079 0.00152 -0.00367 105 3PX 0.00008 0.00010 0.00019 -0.00091 0.00075 106 3PY 0.00044 -0.00022 -0.00067 0.00038 -0.00136 107 3PZ -0.00015 -0.00018 -0.00037 0.00000 0.00002 108 4XX 0.00003 0.00000 0.00004 -0.00005 0.00013 109 4YY -0.00002 0.00000 0.00004 -0.00020 0.00028 110 4ZZ -0.00001 0.00001 0.00003 -0.00013 0.00020 111 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 112 4XZ -0.00001 0.00001 0.00003 0.00009 -0.00011 113 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 114 12 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 115 2S -0.00002 -0.00006 -0.00005 -0.00012 0.00029 116 2PX -0.00002 0.00002 0.00006 0.00013 -0.00015 117 2PY 0.00000 -0.00001 -0.00004 -0.00004 -0.00001 118 2PZ -0.00003 0.00000 0.00000 0.00021 -0.00027 119 3S -0.00004 0.00049 0.00051 -0.00023 -0.00029 120 3PX -0.00011 -0.00005 -0.00001 -0.00055 0.00140 121 3PY -0.00019 0.00007 -0.00001 0.00020 -0.00084 122 3PZ 0.00039 -0.00025 -0.00041 -0.00027 0.00056 123 4XX 0.00002 -0.00002 -0.00003 -0.00006 0.00011 124 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 125 4ZZ -0.00002 -0.00002 0.00002 -0.00011 0.00016 126 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 127 4XZ 0.00003 -0.00001 -0.00003 -0.00001 0.00003 128 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00003 129 13 C 1S -0.00001 0.00000 -0.00002 -0.00010 -0.00014 130 2S -0.00006 -0.00002 -0.00005 -0.00012 -0.00029 131 2PX 0.00002 -0.00002 0.00006 0.00013 0.00015 132 2PY 0.00001 0.00000 0.00004 0.00004 -0.00001 133 2PZ 0.00000 -0.00003 0.00000 0.00020 0.00028 134 3S 0.00050 -0.00001 0.00051 -0.00024 0.00028 135 3PX -0.00005 -0.00011 -0.00002 -0.00053 -0.00141 136 3PY -0.00008 0.00018 0.00001 -0.00018 -0.00084 137 3PZ -0.00027 0.00037 -0.00042 -0.00026 -0.00057 138 4XX -0.00002 0.00002 -0.00003 -0.00006 -0.00011 139 4YY -0.00001 -0.00001 -0.00002 -0.00010 -0.00010 140 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00017 141 4XY 0.00000 0.00000 -0.00002 -0.00002 0.00005 142 4XZ -0.00001 0.00003 -0.00003 -0.00001 -0.00003 143 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 144 14 C 1S 0.00001 -0.00002 0.00004 -0.00010 -0.00023 145 2S 0.00004 -0.00015 0.00012 -0.00040 -0.00085 146 2PX -0.00002 -0.00002 -0.00003 0.00010 0.00008 147 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 148 2PZ 0.00001 0.00001 0.00003 -0.00002 -0.00010 149 3S -0.00043 0.00106 -0.00080 0.00145 0.00370 150 3PX 0.00010 0.00008 0.00019 -0.00090 -0.00077 151 3PY 0.00024 -0.00043 0.00067 -0.00035 -0.00137 152 3PZ -0.00017 -0.00016 -0.00037 0.00000 -0.00002 153 4XX 0.00000 0.00003 0.00004 -0.00005 -0.00013 154 4YY 0.00000 -0.00002 0.00004 -0.00019 -0.00028 155 4ZZ 0.00001 -0.00001 0.00003 -0.00012 -0.00020 156 4XY -0.00001 -0.00002 -0.00002 0.00007 0.00010 157 4XZ 0.00001 -0.00001 0.00003 0.00009 0.00012 158 4YZ 0.00001 0.00000 0.00002 0.00003 0.00005 159 15 C 1S 0.00000 0.00002 -0.00002 -0.00008 -0.00004 160 2S -0.00003 0.00011 -0.00007 -0.00010 -0.00006 161 2PX 0.00000 -0.00001 0.00002 0.00007 0.00005 162 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 163 2PZ -0.00001 -0.00002 0.00001 0.00003 -0.00001 164 3S 0.00042 -0.00109 0.00019 0.00042 -0.00109 165 3PX -0.00018 0.00043 -0.00024 0.00001 0.00054 166 3PY -0.00025 0.00009 -0.00025 0.00017 0.00036 167 3PZ 0.00016 -0.00024 0.00019 -0.00006 -0.00056 168 4XX 0.00000 0.00001 -0.00001 -0.00006 -0.00003 169 4YY 0.00000 0.00002 -0.00003 -0.00006 -0.00005 170 4ZZ 0.00000 0.00004 -0.00003 -0.00007 -0.00004 171 4XY 0.00001 0.00000 0.00001 -0.00002 -0.00001 172 4XZ 0.00000 0.00002 -0.00002 0.00000 -0.00001 173 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00006 174 16 H 1S 0.00002 0.00001 0.00003 0.00001 0.00002 175 2S -0.00006 0.00008 0.00012 -0.00020 0.00028 176 17 H 1S -0.00001 0.00000 -0.00002 -0.00006 0.00005 177 2S 0.00009 -0.00005 -0.00025 -0.00007 -0.00001 178 18 H 1S 0.00009 -0.00003 -0.00007 -0.00005 0.00018 179 2S -0.00045 -0.00002 0.00011 -0.00027 0.00023 180 19 H 1S -0.00004 0.00009 -0.00007 -0.00004 -0.00018 181 2S 0.00000 -0.00045 0.00010 -0.00027 -0.00023 182 20 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 183 2S -0.00005 0.00009 -0.00025 -0.00007 0.00000 184 21 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 185 2S 0.00008 -0.00006 0.00012 -0.00020 -0.00028 186 22 H 1S -0.00003 0.00000 0.00001 0.00005 -0.00013 187 2S -0.00011 0.00006 0.00012 0.00050 -0.00082 188 23 H 1S 0.00000 -0.00003 0.00001 0.00005 0.00013 189 2S 0.00006 -0.00011 0.00012 0.00048 0.00083 6 7 8 9 10 O O O O O Eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 1 1 C 1S -0.00022 0.00001 0.00002 -0.00002 0.00002 2 2S -0.00139 0.00017 -0.00013 -0.00039 -0.00005 3 2PX -0.00022 0.00002 -0.00004 -0.00004 -0.00014 4 2PY -0.00005 0.00008 0.00016 -0.00001 0.00000 5 2PZ -0.00007 0.00001 -0.00015 -0.00021 -0.00001 6 3S 0.00917 -0.00271 0.00020 0.00368 -0.00011 7 3PX 0.00105 -0.00003 -0.00032 -0.00112 0.00074 8 3PY -0.00139 0.00153 -0.00047 -0.00202 -0.00016 9 3PZ 0.00305 -0.00108 0.00078 0.00243 -0.00034 10 4XX -0.00005 0.00000 -0.00012 -0.00012 -0.00014 11 4YY -0.00030 -0.00001 -0.00008 -0.00005 -0.00006 12 4ZZ -0.00029 -0.00001 -0.00008 -0.00012 -0.00013 13 4XY -0.00001 0.00008 -0.00002 -0.00005 0.00006 14 4XZ 0.00006 0.00004 -0.00005 -0.00010 0.00008 15 4YZ 0.00000 0.00007 0.00006 -0.00004 -0.00006 16 2 C 1S 0.00011 -0.00019 0.00002 0.00002 0.00002 17 2S 0.00079 -0.00116 -0.00014 0.00039 -0.00004 18 2PX 0.00012 -0.00019 -0.00004 0.00004 -0.00015 19 2PY -0.00010 0.00001 -0.00016 -0.00001 0.00001 20 2PZ 0.00004 -0.00006 -0.00016 0.00021 0.00000 21 3S -0.00661 0.00690 0.00028 -0.00367 -0.00017 22 3PX -0.00051 0.00091 -0.00035 0.00111 0.00086 23 3PY -0.00199 0.00053 0.00051 -0.00200 0.00015 24 3PZ -0.00236 0.00222 0.00083 -0.00241 -0.00043 25 4XX 0.00003 -0.00005 -0.00012 0.00011 -0.00015 26 4YY 0.00013 -0.00027 -0.00008 0.00005 -0.00007 27 4ZZ 0.00012 -0.00026 -0.00009 0.00012 -0.00013 28 4XY -0.00008 -0.00003 0.00002 -0.00005 -0.00005 29 4XZ 0.00001 0.00007 -0.00005 0.00009 0.00008 30 4YZ -0.00006 -0.00003 -0.00005 -0.00004 0.00006 31 3 C 1S 0.00001 0.00002 0.00000 0.00000 -0.00001 32 2S 0.00009 0.00015 -0.00003 0.00000 -0.00008 33 2PX 0.00005 0.00009 -0.00002 0.00000 0.00000 34 2PY 0.00010 -0.00006 0.00000 0.00002 0.00000 35 2PZ 0.00003 0.00005 -0.00010 0.00000 0.00003 36 3S -0.00045 -0.00074 0.00104 0.00001 0.00030 37 3PX -0.00034 -0.00055 0.00041 0.00001 0.00000 38 3PY -0.00021 0.00013 0.00000 -0.00026 0.00000 39 3PZ -0.00010 -0.00016 0.00032 0.00000 -0.00006 40 4XX 0.00003 0.00006 -0.00007 0.00000 -0.00002 41 4YY 0.00001 0.00001 0.00003 0.00000 0.00001 42 4ZZ 0.00003 0.00005 -0.00001 0.00000 -0.00004 43 4XY 0.00004 -0.00002 0.00000 -0.00003 0.00000 44 4XZ 0.00001 0.00002 -0.00001 0.00000 0.00000 45 4YZ 0.00004 -0.00002 0.00000 0.00002 0.00000 46 4 O 1S 0.00010 -0.00003 0.00006 0.00003 -0.00004 47 2S 0.00050 -0.00015 0.00028 0.00016 -0.00018 48 2PX 0.00008 -0.00001 0.00001 -0.00002 0.00000 49 2PY -0.00002 0.00001 -0.00002 0.00003 0.00001 50 2PZ 0.00000 -0.00003 0.00002 0.00000 0.00003 51 3S -0.00302 0.00097 -0.00148 -0.00147 0.00096 52 3PX -0.00136 0.00027 -0.00022 -0.00053 0.00027 53 3PY 0.00036 -0.00033 0.00044 0.00020 -0.00015 54 3PZ 0.00032 0.00011 -0.00015 0.00022 -0.00030 55 4XX 0.00011 -0.00004 0.00016 -0.00001 -0.00008 56 4YY 0.00032 -0.00008 0.00011 0.00007 -0.00011 57 4ZZ 0.00037 -0.00007 0.00018 0.00006 -0.00009 58 4XY 0.00006 -0.00003 0.00004 0.00004 -0.00004 59 4XZ 0.00002 0.00001 0.00000 -0.00002 -0.00005 60 4YZ 0.00001 0.00001 0.00001 -0.00004 0.00004 61 5 H 1S -0.00026 -0.00001 0.00008 0.00014 -0.00010 62 2S 0.00019 -0.00044 0.00056 0.00119 -0.00006 63 6 H 1S 0.00011 -0.00024 0.00008 -0.00014 -0.00012 64 2S -0.00048 -0.00003 0.00059 -0.00117 -0.00008 65 7 H 1S 0.00005 0.00008 -0.00004 0.00000 0.00001 66 2S 0.00016 0.00027 -0.00076 -0.00001 -0.00006 67 8 O 1S -0.00007 0.00008 0.00006 -0.00002 -0.00004 68 2S -0.00036 0.00038 0.00028 -0.00016 -0.00020 69 2PX -0.00004 0.00007 0.00001 0.00002 0.00000 70 2PY -0.00002 0.00001 0.00002 0.00003 -0.00001 71 2PZ -0.00003 -0.00001 0.00002 0.00001 0.00003 72 3S 0.00224 -0.00224 -0.00151 0.00144 0.00109 73 3PX 0.00087 -0.00109 -0.00024 0.00052 0.00031 74 3PY 0.00046 -0.00017 -0.00044 0.00019 0.00016 75 3PZ -0.00005 0.00034 -0.00014 -0.00022 -0.00033 76 4XX -0.00009 0.00008 0.00016 0.00001 -0.00008 77 4YY -0.00022 0.00025 0.00011 -0.00007 -0.00012 78 4ZZ -0.00024 0.00030 0.00019 -0.00006 -0.00010 79 4XY 0.00005 -0.00004 -0.00004 0.00004 0.00004 80 4XZ -0.00001 0.00002 0.00000 0.00002 -0.00006 81 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 82 9 H 1S -0.00001 -0.00002 -0.00002 0.00000 -0.00001 83 2S -0.00013 -0.00022 0.00013 0.00000 -0.00005 84 10 C 1S -0.00377 0.01650 -0.00069 0.00056 0.72646 85 2S 0.00003 0.00021 -0.00022 0.00022 0.03610 86 2PX 0.00007 0.00011 0.00005 -0.00008 -0.00025 87 2PY -0.00009 0.00013 -0.00007 -0.00004 -0.00013 88 2PZ 0.00003 -0.00020 -0.00011 0.00007 -0.00001 89 3S -0.00748 0.00836 0.00052 -0.00041 -0.00823 90 3PX 0.00282 -0.00310 -0.00035 0.00050 0.00101 91 3PY -0.00113 0.00019 -0.00003 0.00006 0.00055 92 3PZ -0.00311 0.00318 0.00033 -0.00030 -0.00048 93 4XX 0.00007 -0.00031 -0.00008 0.00004 -0.00694 94 4YY 0.00015 -0.00034 -0.00002 0.00003 -0.00698 95 4ZZ 0.00007 -0.00036 -0.00004 0.00003 -0.00687 96 4XY 0.00002 -0.00016 0.00007 -0.00002 0.00001 97 4XZ -0.00002 0.00004 -0.00005 0.00004 -0.00011 98 4YZ -0.00003 0.00012 0.00000 -0.00005 0.00001 99 11 C 1S -0.23496 0.96466 -0.01420 0.01372 -0.01281 100 2S -0.01291 0.04899 -0.00084 0.00072 -0.00086 101 2PX 0.00021 -0.00026 0.00001 0.00004 -0.00019 102 2PY -0.00039 0.00037 -0.00005 -0.00002 -0.00009 103 2PZ -0.00004 0.00002 -0.00011 -0.00009 0.00010 104 3S 0.01234 -0.02218 0.00290 -0.00388 0.00267 105 3PX 0.00042 -0.00003 -0.00062 0.00047 0.00096 106 3PY 0.00511 -0.00442 0.00039 -0.00096 0.00067 107 3PZ 0.00032 -0.00026 0.00170 -0.00176 -0.00085 108 4XX 0.00176 -0.00857 -0.00001 -0.00007 -0.00002 109 4YY 0.00177 -0.00835 0.00008 -0.00004 0.00009 110 4ZZ 0.00184 -0.00854 -0.00013 0.00010 0.00000 111 4XY 0.00001 0.00010 0.00003 -0.00006 -0.00003 112 4XZ -0.00005 -0.00016 0.00004 -0.00002 0.00008 113 4YZ 0.00001 -0.00005 -0.00006 0.00003 0.00002 114 12 C 1S -0.00451 0.01901 0.70965 -0.69447 0.00038 115 2S -0.00003 0.00061 0.03569 -0.03564 -0.00015 116 2PX 0.00007 -0.00009 -0.00001 0.00002 -0.00011 117 2PY -0.00006 0.00004 -0.00002 -0.00003 -0.00004 118 2PZ 0.00022 -0.00007 -0.00015 0.00019 0.00004 119 3S -0.00500 0.00629 -0.01090 0.01961 0.00033 120 3PX -0.00162 0.00144 0.00002 0.00000 0.00038 121 3PY -0.00053 -0.00015 0.00117 0.00269 -0.00001 122 3PZ 0.00192 -0.00266 0.00088 -0.00191 -0.00019 123 4XX 0.00001 -0.00028 -0.00634 0.00594 -0.00007 124 4YY 0.00005 -0.00032 -0.00670 0.00590 -0.00005 125 4ZZ -0.00001 -0.00038 -0.00643 0.00604 0.00000 126 4XY -0.00002 0.00005 0.00000 0.00000 0.00000 127 4XZ -0.00003 0.00009 0.00003 -0.00004 -0.00004 128 4YZ 0.00005 -0.00022 -0.00005 -0.00005 0.00002 129 13 C 1S 0.01881 0.00469 0.69422 0.70990 0.00036 130 2S 0.00055 0.00025 0.03490 0.03641 -0.00014 131 2PX -0.00011 0.00002 -0.00001 -0.00002 -0.00010 132 2PY -0.00007 0.00003 0.00003 -0.00003 0.00004 133 2PZ -0.00016 0.00016 -0.00014 -0.00020 0.00004 134 3S 0.00789 -0.00155 -0.01046 -0.01984 0.00036 135 3PX 0.00202 -0.00078 0.00002 0.00000 0.00036 136 3PY -0.00010 0.00054 -0.00124 0.00266 0.00002 137 3PZ -0.00325 0.00048 0.00083 0.00193 -0.00019 138 4XX -0.00025 -0.00012 -0.00621 -0.00608 -0.00007 139 4YY -0.00031 -0.00010 -0.00657 -0.00605 -0.00005 140 4ZZ -0.00033 -0.00018 -0.00630 -0.00618 0.00000 141 4XY -0.00006 0.00000 0.00001 0.00000 0.00001 142 4XZ 0.00009 0.00001 0.00003 0.00004 -0.00003 143 4YZ 0.00022 0.00006 0.00006 -0.00005 -0.00002 144 14 C 1S 0.96477 0.23454 -0.01378 -0.01392 -0.01188 145 2S 0.04945 0.01105 -0.00082 -0.00073 -0.00080 146 2PX -0.00032 0.00007 0.00001 -0.00004 -0.00018 147 2PY -0.00051 0.00018 0.00005 -0.00002 0.00009 148 2PZ 0.00004 -0.00003 -0.00012 0.00008 0.00010 149 3S -0.02539 0.00077 0.00281 0.00394 0.00234 150 3PX -0.00023 0.00036 -0.00060 -0.00048 0.00089 151 3PY 0.00627 -0.00250 -0.00037 -0.00097 -0.00054 152 3PZ -0.00037 0.00017 0.00165 0.00179 -0.00081 153 4XX -0.00842 -0.00237 -0.00001 0.00007 -0.00001 154 4YY -0.00823 -0.00226 0.00008 0.00004 0.00010 155 4ZZ -0.00842 -0.00229 -0.00013 -0.00010 0.00000 156 4XY -0.00008 -0.00006 -0.00003 -0.00007 0.00003 157 4XZ -0.00012 -0.00011 0.00004 0.00002 0.00007 158 4YZ 0.00005 0.00001 0.00006 0.00003 -0.00001 159 15 C 1S 0.01629 0.00421 -0.00067 -0.00057 0.67623 160 2S 0.00017 0.00012 -0.00022 -0.00022 0.03356 161 2PX 0.00006 0.00011 0.00005 0.00008 -0.00023 162 2PY -0.00016 0.00002 0.00007 -0.00004 0.00015 163 2PZ -0.00019 -0.00007 -0.00010 -0.00007 -0.00002 164 3S 0.01086 -0.00280 0.00052 0.00042 -0.00701 165 3PX -0.00405 0.00108 -0.00034 -0.00051 0.00083 166 3PY -0.00070 0.00092 0.00002 0.00006 -0.00079 167 3PZ 0.00425 -0.00130 0.00032 0.00031 -0.00035 168 4XX -0.00031 -0.00008 -0.00007 -0.00004 -0.00648 169 4YY -0.00037 -0.00002 -0.00002 -0.00003 -0.00654 170 4ZZ -0.00035 -0.00010 -0.00004 -0.00003 -0.00642 171 4XY 0.00015 0.00006 -0.00007 -0.00002 0.00000 172 4XZ 0.00005 0.00001 -0.00005 -0.00004 -0.00010 173 4YZ -0.00012 -0.00003 0.00000 -0.00005 -0.00001 174 16 H 1S -0.00009 -0.00003 0.00001 -0.00001 -0.00032 175 2S -0.00081 0.00085 0.00026 -0.00024 0.00137 176 17 H 1S 0.00012 -0.00021 -0.00011 0.00006 -0.00004 177 2S 0.00067 0.00157 -0.00002 0.00006 0.00009 178 18 H 1S 0.00006 -0.00015 -0.00010 -0.00031 0.00001 179 2S -0.00046 0.00040 0.00222 -0.00209 0.00032 180 19 H 1S -0.00016 -0.00002 -0.00010 0.00031 0.00001 181 2S 0.00056 -0.00022 0.00218 0.00214 0.00029 182 20 H 1S -0.00024 0.00001 -0.00011 -0.00006 -0.00004 183 2S 0.00109 0.00131 -0.00002 -0.00006 0.00008 184 21 H 1S 0.00002 -0.00009 0.00001 0.00001 -0.00030 185 2S 0.00113 -0.00033 0.00026 0.00024 0.00132 186 22 H 1S 0.00027 -0.00031 -0.00009 -0.00020 -0.00005 187 2S 0.00019 0.00005 0.00180 -0.00175 -0.00014 188 23 H 1S -0.00040 0.00010 -0.00009 0.00020 -0.00005 189 2S -0.00004 0.00019 0.00176 0.00179 -0.00013 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 1 1 C 1S 0.00001 -0.05618 -0.04410 -0.02572 -0.12240 2 2S 0.00003 0.10419 0.08668 0.05209 0.24579 3 2PX -0.00008 -0.05976 -0.06055 0.01488 -0.02209 4 2PY -0.00003 -0.00919 0.04353 -0.01418 -0.06650 5 2PZ 0.00003 0.04376 0.04458 0.00149 -0.01001 6 3S -0.00085 0.03497 -0.00909 0.03219 0.17213 7 3PX 0.00162 0.00364 0.01821 0.00320 0.00225 8 3PY 0.00011 0.00019 0.01694 -0.00195 -0.01027 9 3PZ -0.00140 -0.00405 -0.02567 -0.00106 -0.00591 10 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 11 4YY -0.00005 -0.00146 -0.00862 0.00137 0.00603 12 4ZZ -0.00006 -0.00073 0.00181 -0.00082 -0.00696 13 4XY -0.00002 -0.00224 -0.00612 -0.00011 -0.00064 14 4XZ 0.00008 -0.01130 -0.01155 0.00055 -0.00474 15 4YZ -0.00005 0.00084 0.00357 -0.00099 -0.00230 16 2 C 1S -0.00001 -0.05625 0.04406 -0.02570 -0.12240 17 2S -0.00003 0.10433 -0.08660 0.05205 0.24580 18 2PX 0.00007 -0.05983 0.06050 0.01487 -0.02200 19 2PY -0.00003 0.00904 0.04369 0.01420 0.06650 20 2PZ -0.00003 0.04389 -0.04451 0.00152 -0.00982 21 3S 0.00084 0.03493 0.00910 0.03215 0.17209 22 3PX -0.00156 0.00368 -0.01822 0.00320 0.00226 23 3PY 0.00011 -0.00023 0.01690 0.00196 0.01028 24 3PZ 0.00137 -0.00412 0.02571 -0.00107 -0.00590 25 4XX 0.00011 0.00382 -0.00643 -0.00140 -0.00970 26 4YY 0.00005 -0.00147 0.00861 0.00138 0.00604 27 4ZZ 0.00005 -0.00073 -0.00180 -0.00082 -0.00696 28 4XY -0.00002 0.00228 -0.00614 0.00011 0.00065 29 4XZ -0.00007 -0.01132 0.01154 0.00055 -0.00475 30 4YZ -0.00005 -0.00085 0.00360 0.00100 0.00233 31 3 C 1S 0.00000 -0.08320 -0.00007 0.01835 0.11738 32 2S 0.00000 0.16015 0.00013 -0.03864 -0.24499 33 2PX 0.00000 0.06130 0.00003 -0.00171 0.01011 34 2PY -0.00002 0.00002 0.12748 -0.00002 0.00003 35 2PZ 0.00000 -0.05990 0.00007 0.00671 -0.00419 36 3S 0.00001 0.02856 0.00005 -0.02225 -0.17824 37 3PX 0.00000 -0.00867 -0.00001 0.00494 0.00892 38 3PY 0.00011 -0.00001 0.00620 0.00000 0.00002 39 3PZ 0.00000 0.01226 0.00002 -0.00136 -0.00931 40 4XX 0.00000 -0.00115 -0.00001 0.00107 0.00504 41 4YY 0.00000 0.00726 0.00004 -0.00129 -0.00324 42 4ZZ 0.00000 -0.00225 -0.00003 0.00059 0.00459 43 4XY 0.00000 0.00000 0.01756 0.00000 0.00001 44 4XZ 0.00000 -0.00959 0.00001 0.00019 -0.00357 45 4YZ -0.00001 0.00002 -0.01777 0.00000 -0.00001 46 4 O 1S -0.00006 -0.13117 -0.15249 0.00884 0.01418 47 2S -0.00030 0.28394 0.33493 -0.02050 -0.03358 48 2PX -0.00002 0.02238 0.03038 0.02009 0.12266 49 2PY 0.00000 -0.08685 -0.06087 0.00856 0.03571 50 2PZ 0.00003 -0.00841 -0.01430 -0.01173 -0.10836 51 3S 0.00187 0.28814 0.35814 -0.02276 -0.03737 52 3PX 0.00053 0.00922 0.02342 0.00987 0.05543 53 3PY -0.00020 -0.05295 -0.03674 0.00480 0.01559 54 3PZ -0.00041 -0.00219 -0.01102 -0.00501 -0.04933 55 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 56 4YY -0.00019 0.00722 -0.00049 -0.00136 -0.00584 57 4ZZ -0.00016 -0.00460 -0.00388 0.00018 0.00103 58 4XY -0.00004 -0.00044 -0.00197 -0.00195 -0.01122 59 4XZ -0.00005 -0.00716 -0.00772 -0.00022 -0.00389 60 4YZ 0.00003 -0.00190 -0.00020 0.00132 0.01022 61 5 H 1S -0.00024 0.01251 0.01448 0.01509 0.06814 62 2S -0.00031 -0.00344 -0.00846 0.00254 0.01259 63 6 H 1S 0.00023 0.01252 -0.01446 0.01509 0.06812 64 2S 0.00031 -0.00347 0.00849 0.00255 0.01258 65 7 H 1S 0.00000 0.02534 0.00002 -0.00826 -0.07517 66 2S 0.00000 -0.00229 -0.00001 0.00196 -0.01513 67 8 O 1S 0.00006 -0.13133 0.15235 0.00882 0.01420 68 2S 0.00029 0.28429 -0.33465 -0.02048 -0.03361 69 2PX 0.00002 0.02242 -0.03038 0.02008 0.12269 70 2PY 0.00000 0.08694 -0.06080 -0.00852 -0.03548 71 2PZ -0.00003 -0.00830 0.01424 -0.01175 -0.10847 72 3S -0.00180 0.28852 -0.35784 -0.02271 -0.03741 73 3PX -0.00051 0.00923 -0.02340 0.00988 0.05545 74 3PY -0.00019 0.05301 -0.03670 -0.00478 -0.01549 75 3PZ 0.00039 -0.00211 0.01097 -0.00502 -0.04938 76 4XX 0.00011 -0.00171 0.00000 0.00129 0.00396 77 4YY 0.00018 0.00722 0.00050 -0.00136 -0.00581 78 4ZZ 0.00016 -0.00460 0.00386 0.00017 0.00100 79 4XY -0.00004 0.00045 -0.00198 0.00195 0.01123 80 4XZ 0.00004 -0.00716 0.00771 -0.00022 -0.00387 81 4YZ 0.00003 0.00192 -0.00020 -0.00133 -0.01024 82 9 H 1S 0.00000 0.02455 0.00002 -0.01042 -0.07732 83 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 84 10 C 1S -0.67653 -0.00034 -0.00003 -0.09539 0.01858 85 2S -0.03431 0.00232 -0.00270 0.18222 -0.03484 86 2PX 0.00025 -0.00108 0.00074 -0.03994 0.00121 87 2PY -0.00029 0.00042 0.00050 0.02992 -0.00672 88 2PZ -0.00005 0.00015 -0.00009 0.03311 -0.00786 89 3S 0.01670 -0.00444 0.02195 0.11191 -0.03011 90 3PX -0.00236 0.00291 -0.00854 -0.00065 0.00200 91 3PY 0.00340 -0.00017 0.01025 0.00184 -0.00012 92 3PZ 0.00170 -0.00115 0.00565 -0.00173 -0.00221 93 4XX 0.00622 0.00025 -0.00018 -0.00441 0.00179 94 4YY 0.00586 0.00030 -0.00009 0.00298 -0.00056 95 4ZZ 0.00613 0.00041 -0.00045 -0.00337 0.00066 96 4XY -0.00012 -0.00008 -0.00026 0.00028 -0.00023 97 4XZ 0.00014 0.00007 -0.00015 -0.00711 0.00167 98 4YZ 0.00004 0.00004 0.00006 0.00046 -0.00014 99 11 C 1S 0.01163 -0.00187 0.00246 -0.09139 0.01330 100 2S 0.00071 0.00224 -0.00017 0.17063 -0.02642 101 2PX 0.00008 -0.00154 0.00108 0.02428 -0.01433 102 2PY 0.00010 0.00063 0.00058 0.04656 -0.00802 103 2PZ -0.00002 -0.00023 0.00070 0.00319 -0.01050 104 3S -0.00437 0.00685 -0.02162 0.13182 -0.01344 105 3PX -0.00089 -0.00008 0.00423 0.00048 -0.00160 106 3PY -0.00159 0.00219 -0.01159 0.01390 0.00133 107 3PZ 0.00058 -0.00033 -0.00365 0.00079 -0.00606 108 4XX 0.00009 0.00010 0.00016 -0.00551 0.00154 109 4YY 0.00006 -0.00028 0.00082 0.00087 -0.00027 110 4ZZ 0.00002 -0.00022 0.00068 -0.00067 -0.00068 111 4XY 0.00005 -0.00001 0.00005 0.00343 -0.00112 112 4XZ -0.00015 -0.00007 0.00012 -0.00599 0.00192 113 4YZ -0.00006 -0.00001 -0.00009 0.00073 -0.00091 114 12 C 1S -0.00025 -0.00166 0.00115 -0.08157 0.02469 115 2S 0.00013 0.00239 -0.00197 0.15285 -0.04716 116 2PX 0.00007 -0.00108 0.00111 0.01409 -0.00547 117 2PY -0.00003 -0.00017 0.00083 0.01823 -0.00659 118 2PZ -0.00008 -0.00087 0.00018 -0.03440 0.00016 119 3S 0.00019 -0.00019 0.00794 0.11366 -0.03492 120 3PX -0.00034 -0.00161 0.00280 0.00241 -0.00123 121 3PY -0.00006 0.00162 -0.00170 0.00282 -0.00326 122 3PZ 0.00004 -0.00105 -0.00241 -0.00209 0.00026 123 4XX 0.00005 0.00007 -0.00018 -0.00223 0.00040 124 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 125 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 126 4XY -0.00004 0.00001 0.00000 -0.00006 -0.00006 127 4XZ 0.00002 0.00030 -0.00037 -0.00194 0.00065 128 4YZ 0.00001 0.00008 -0.00004 0.00015 0.00011 129 13 C 1S 0.00028 -0.00166 -0.00115 -0.08158 0.02462 130 2S -0.00014 0.00239 0.00198 0.15286 -0.04704 131 2PX -0.00008 -0.00108 -0.00111 0.01408 -0.00546 132 2PY -0.00003 0.00017 0.00083 -0.01816 0.00665 133 2PZ 0.00009 -0.00087 -0.00018 -0.03443 0.00012 134 3S -0.00016 -0.00019 -0.00795 0.11363 -0.03485 135 3PX 0.00036 -0.00160 -0.00279 0.00242 -0.00123 136 3PY -0.00006 -0.00161 -0.00171 -0.00281 0.00329 137 3PZ -0.00005 -0.00105 0.00241 -0.00208 0.00027 138 4XX -0.00005 0.00007 0.00018 -0.00224 0.00040 139 4YY -0.00004 -0.00016 -0.00028 0.00150 -0.00058 140 4ZZ -0.00001 -0.00021 -0.00035 0.00108 0.00073 141 4XY -0.00004 -0.00001 0.00000 0.00006 0.00006 142 4XZ -0.00002 0.00030 0.00037 -0.00194 0.00065 143 4YZ 0.00001 -0.00008 -0.00004 -0.00015 -0.00012 144 14 C 1S -0.01245 -0.00188 -0.00247 -0.09140 0.01315 145 2S -0.00077 0.00225 0.00018 0.17062 -0.02613 146 2PX -0.00010 -0.00155 -0.00110 0.02436 -0.01436 147 2PY 0.00010 -0.00063 0.00058 -0.04652 0.00800 148 2PZ 0.00002 -0.00023 -0.00071 0.00315 -0.01051 149 3S 0.00454 0.00686 0.02166 0.13191 -0.01316 150 3PX 0.00096 -0.00007 -0.00423 0.00051 -0.00160 151 3PY -0.00163 -0.00220 -0.01161 -0.01395 -0.00134 152 3PZ -0.00064 -0.00035 0.00364 0.00077 -0.00607 153 4XX -0.00010 0.00010 -0.00015 -0.00550 0.00153 154 4YY -0.00005 -0.00028 -0.00082 0.00086 -0.00028 155 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 156 4XY 0.00005 0.00001 0.00005 -0.00343 0.00111 157 4XZ 0.00016 -0.00007 -0.00012 -0.00599 0.00192 158 4YZ -0.00006 0.00001 -0.00009 -0.00074 0.00092 159 15 C 1S 0.72675 -0.00034 0.00002 -0.09538 0.01851 160 2S 0.03680 0.00232 0.00271 0.18220 -0.03470 161 2PX -0.00027 -0.00108 -0.00075 -0.03993 0.00115 162 2PY -0.00028 -0.00042 0.00050 -0.03003 0.00681 163 2PZ 0.00005 0.00015 0.00009 0.03305 -0.00781 164 3S -0.01724 -0.00444 -0.02195 0.11184 -0.03009 165 3PX 0.00243 0.00292 0.00854 -0.00062 0.00203 166 3PY 0.00335 0.00016 0.01027 -0.00183 0.00015 167 3PZ -0.00173 -0.00115 -0.00563 -0.00175 -0.00223 168 4XX -0.00670 0.00025 0.00018 -0.00440 0.00179 169 4YY -0.00635 0.00030 0.00009 0.00298 -0.00056 170 4ZZ -0.00661 0.00041 0.00045 -0.00337 0.00067 171 4XY -0.00012 0.00008 -0.00026 -0.00028 0.00023 172 4XZ -0.00014 0.00007 0.00015 -0.00711 0.00166 173 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00015 174 16 H 1S 0.00024 0.00012 0.00004 0.03708 -0.00832 175 2S -0.00070 -0.00043 0.00320 0.00181 -0.00145 176 17 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00459 177 2S -0.00012 0.00104 -0.00364 0.00635 0.00023 178 18 H 1S -0.00002 0.00209 -0.00253 0.03705 -0.01331 179 2S -0.00031 0.00186 -0.00187 0.00200 -0.00618 180 19 H 1S 0.00002 0.00209 0.00254 0.03706 -0.01327 181 2S 0.00034 0.00186 0.00188 0.00201 -0.00617 182 20 H 1S 0.00001 0.00044 0.00093 0.03737 -0.00450 183 2S 0.00013 0.00104 0.00364 0.00636 0.00025 184 21 H 1S -0.00026 0.00012 -0.00004 0.03707 -0.00828 185 2S 0.00080 -0.00043 -0.00320 0.00180 -0.00145 186 22 H 1S 0.00005 0.00050 -0.00061 0.03921 -0.01539 187 2S 0.00006 0.00121 -0.00136 0.00321 -0.00367 188 23 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01536 189 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 1 1 C 1S -0.00474 -0.01201 -0.07250 0.09534 0.02250 2 2S 0.00927 0.02311 0.14747 -0.19661 -0.04500 3 2PX -0.00303 0.01232 0.08522 0.03113 0.01201 4 2PY -0.00304 0.01519 -0.15574 -0.13088 -0.03057 5 2PZ 0.00727 0.00046 -0.08079 0.01968 -0.00238 6 3S 0.00867 0.02688 0.12878 -0.18860 -0.05483 7 3PX -0.00050 0.00447 0.02245 -0.00186 0.00809 8 3PY 0.00013 -0.00037 -0.02893 -0.02722 -0.00267 9 3PZ 0.00264 0.00237 -0.01971 0.01215 -0.00728 10 4XX -0.00120 -0.00036 -0.01420 0.00287 0.00136 11 4YY 0.00015 -0.00103 0.00715 0.00733 0.00180 12 4ZZ 0.00048 -0.00010 -0.00464 -0.00004 -0.00050 13 4XY -0.00019 0.00103 0.00808 0.00479 0.00178 14 4XZ 0.00033 0.00044 0.00622 0.00762 0.00190 15 4YZ -0.00006 -0.00039 -0.00770 0.00424 0.00014 16 2 C 1S -0.00474 0.01213 -0.07233 -0.09549 -0.02249 17 2S 0.00925 -0.02335 0.14712 0.19693 0.04499 18 2PX -0.00303 -0.01221 0.08538 -0.03085 -0.01194 19 2PY 0.00303 0.01513 0.15614 -0.13069 -0.03064 20 2PZ 0.00727 -0.00041 -0.08045 -0.02006 0.00230 21 3S 0.00865 -0.02702 0.12841 0.18885 0.05483 22 3PX -0.00050 -0.00445 0.02248 0.00194 -0.00807 23 3PY -0.00015 -0.00039 0.02900 -0.02715 -0.00270 24 3PZ 0.00263 -0.00236 -0.01966 -0.01224 0.00726 25 4XX -0.00120 0.00037 -0.01418 -0.00291 -0.00136 26 4YY 0.00015 0.00102 0.00714 -0.00732 -0.00179 27 4ZZ 0.00048 0.00011 -0.00462 0.00003 0.00049 28 4XY 0.00019 0.00103 -0.00810 0.00478 0.00178 29 4XZ 0.00033 -0.00043 0.00621 -0.00762 -0.00190 30 4YZ 0.00006 -0.00039 0.00774 0.00423 0.00014 31 3 C 1S 0.00912 -0.00009 -0.12225 -0.00014 -0.00001 32 2S -0.01980 0.00018 0.25807 0.00029 0.00002 33 2PX 0.00441 -0.00002 -0.06484 -0.00013 -0.00003 34 2PY -0.00001 -0.01881 -0.00032 0.21591 0.06310 35 2PZ 0.00606 0.00000 0.06775 0.00029 0.00007 36 3S -0.01503 0.00015 0.24382 0.00029 0.00002 37 3PX 0.00668 -0.00001 -0.02134 -0.00004 -0.00001 38 3PY 0.00000 -0.00189 -0.00010 0.05678 0.01520 39 3PZ -0.00182 0.00001 0.02826 0.00009 0.00002 40 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 41 4YY -0.00042 0.00000 -0.01362 0.00001 0.00001 42 4ZZ 0.00029 0.00000 0.00147 -0.00002 -0.00001 43 4XY 0.00000 -0.00129 -0.00002 0.01288 0.00324 44 4XZ 0.00007 0.00000 0.00553 0.00002 0.00000 45 4YZ 0.00000 0.00186 0.00000 -0.01405 -0.00447 46 4 O 1S 0.00234 0.00716 0.07110 -0.02540 -0.00811 47 2S -0.00547 -0.01658 -0.16581 0.05862 0.01850 48 2PX 0.01378 0.01540 -0.07300 -0.18536 -0.05830 49 2PY 0.00429 0.00675 -0.08876 -0.05681 -0.01763 50 2PZ -0.00317 -0.00667 0.06623 0.16875 0.04080 51 3S -0.00823 -0.02077 -0.22105 0.08017 0.03083 52 3PX 0.00676 0.00710 -0.02843 -0.08562 -0.02718 53 3PY 0.00336 0.00376 -0.04834 -0.02437 -0.00915 54 3PZ -0.00012 -0.00247 0.02618 0.07953 0.01595 55 4XX 0.00056 0.00102 -0.00022 -0.00599 -0.00168 56 4YY -0.00086 -0.00045 0.01010 0.00338 0.00116 57 4ZZ 0.00012 0.00029 0.00085 -0.00284 -0.00068 58 4XY -0.00114 -0.00052 0.00146 0.00716 0.00216 59 4XZ 0.00032 -0.00003 -0.00110 0.00507 0.00057 60 4YZ 0.00038 0.00034 -0.00255 -0.00695 -0.00167 61 5 H 1S -0.00058 0.01416 0.05369 -0.11558 -0.02282 62 2S -0.00151 0.00613 0.01640 -0.04769 -0.01075 63 6 H 1S -0.00059 -0.01424 0.05351 0.11576 0.02285 64 2S -0.00152 -0.00616 0.01632 0.04777 0.01077 65 7 H 1S -0.00191 0.00006 0.11587 0.00013 0.00001 66 2S 0.00653 0.00001 0.03556 0.00005 0.00000 67 8 O 1S 0.00234 -0.00715 0.07102 0.02556 0.00811 68 2S -0.00546 0.01657 -0.16566 -0.05899 -0.01850 69 2PX 0.01377 -0.01558 -0.07338 0.18527 0.05828 70 2PY -0.00428 0.00678 0.08875 -0.05629 -0.01756 71 2PZ -0.00318 0.00685 0.06677 -0.16882 -0.04084 72 3S -0.00821 0.02074 -0.22079 -0.08071 -0.03084 73 3PX 0.00676 -0.00719 -0.02858 0.08559 0.02717 74 3PY -0.00336 0.00378 0.04836 -0.02413 -0.00914 75 3PZ -0.00012 0.00256 0.02643 -0.07958 -0.01597 76 4XX 0.00056 -0.00102 -0.00023 0.00599 0.00168 77 4YY -0.00086 0.00046 0.01009 -0.00334 -0.00115 78 4ZZ 0.00012 -0.00029 0.00085 0.00283 0.00068 79 4XY 0.00114 -0.00053 -0.00147 0.00717 0.00216 80 4XZ 0.00033 0.00003 -0.00109 -0.00506 -0.00057 81 4YZ -0.00038 0.00036 0.00259 -0.00696 -0.00168 82 9 H 1S -0.00771 0.00007 0.11585 0.00014 0.00001 83 2S 0.00021 0.00002 0.03819 0.00005 0.00001 84 10 C 1S 0.10574 0.06438 0.01274 -0.00729 0.08062 85 2S -0.20545 -0.12801 -0.02553 0.01534 -0.16370 86 2PX 0.00709 0.04452 -0.01059 -0.00453 0.02121 87 2PY -0.05181 0.07816 -0.00822 -0.00955 0.10427 88 2PZ 0.01095 -0.03739 -0.00021 -0.00676 0.00049 89 3S -0.15238 -0.07282 -0.02499 0.00483 -0.12766 90 3PX -0.00250 -0.00658 -0.00271 0.00316 -0.00807 91 3PY -0.00492 0.02228 -0.00068 -0.00243 0.03749 92 3PZ 0.00883 0.01009 -0.00273 -0.00498 0.01709 93 4XX 0.00670 -0.00004 0.00186 0.00029 0.00146 94 4YY -0.00489 0.00641 -0.00089 -0.00069 0.00748 95 4ZZ 0.00601 -0.00096 0.00004 -0.00053 0.00056 96 4XY 0.00085 -0.00409 -0.00012 0.00033 -0.00110 97 4XZ 0.00472 0.00712 0.00106 -0.00002 0.00613 98 4YZ -0.00177 0.00270 -0.00031 0.00080 -0.00191 99 11 C 1S 0.00749 0.12444 -0.00051 0.00488 0.02268 100 2S -0.01423 -0.24080 0.00023 -0.01134 -0.04698 101 2PX -0.05830 -0.02704 -0.01391 -0.00120 -0.09493 102 2PY -0.01160 -0.00555 0.00030 -0.00298 -0.00541 103 2PZ 0.09023 -0.00673 -0.00705 -0.04276 0.13783 104 3S -0.01437 -0.21040 0.00801 -0.00053 -0.04363 105 3PX -0.00997 -0.00284 0.00009 -0.00201 -0.02376 106 3PY -0.00628 -0.00250 0.00510 0.00316 0.00095 107 3PZ 0.01542 0.00011 -0.00377 -0.01691 0.03505 108 4XX -0.00217 0.00701 -0.00029 0.00204 -0.00228 109 4YY -0.00063 0.00073 0.00012 -0.00009 -0.00082 110 4ZZ 0.00532 0.00138 -0.00010 -0.00213 0.00682 111 4XY -0.00504 -0.00334 -0.00124 0.00048 -0.00397 112 4XZ 0.00163 0.00666 0.00099 0.00147 0.00266 113 4YZ 0.00739 -0.00133 -0.00059 -0.00148 0.00523 114 12 C 1S -0.11129 0.06715 0.00644 0.03429 -0.09320 115 2S 0.21416 -0.13016 -0.01224 -0.06888 0.18934 116 2PX -0.00845 -0.01554 -0.00761 -0.00347 -0.01267 117 2PY 0.03641 0.06524 -0.00108 0.03481 -0.09508 118 2PZ 0.01726 0.04152 -0.00619 -0.00542 0.01997 119 3S 0.18755 -0.10785 -0.01216 -0.06564 0.17958 120 3PX -0.00518 -0.00525 -0.00450 0.00039 -0.00931 121 3PY 0.00547 0.01783 0.00000 0.00862 -0.03890 122 3PZ 0.00639 0.00271 -0.00014 -0.00276 0.01634 123 4XX -0.00074 -0.00076 0.00011 -0.00151 0.00477 124 4YY 0.00375 0.00741 -0.00015 0.00368 -0.01016 125 4ZZ -0.00473 -0.00513 0.00047 -0.00010 -0.00049 126 4XY 0.00066 0.00118 -0.00021 0.00017 0.00150 127 4XZ 0.00196 0.00236 0.00017 -0.00002 0.00247 128 4YZ -0.00142 -0.00344 -0.00009 0.00087 -0.00255 129 13 C 1S -0.11132 -0.06707 0.00653 -0.03434 0.09317 130 2S 0.21423 0.13002 -0.01241 0.06898 -0.18929 131 2PX -0.00842 0.01547 -0.00763 0.00343 0.01269 132 2PY -0.03641 0.06535 0.00099 0.03471 -0.09507 133 2PZ 0.01718 -0.04143 -0.00618 0.00557 -0.02008 134 3S 0.18759 0.10771 -0.01237 0.06574 -0.17954 135 3PX -0.00518 0.00524 -0.00450 -0.00041 0.00931 136 3PY -0.00547 0.01784 -0.00002 0.00859 -0.03888 137 3PZ 0.00638 -0.00268 -0.00014 0.00281 -0.01639 138 4XX -0.00074 0.00076 0.00011 0.00151 -0.00477 139 4YY 0.00374 -0.00740 -0.00014 -0.00368 0.01016 140 4ZZ -0.00473 0.00512 0.00047 0.00010 0.00048 141 4XY -0.00067 0.00119 0.00021 0.00017 0.00149 142 4XZ 0.00195 -0.00236 0.00017 0.00002 -0.00246 143 4YZ 0.00144 -0.00347 0.00009 0.00087 -0.00254 144 14 C 1S 0.00739 -0.12445 -0.00047 -0.00476 -0.02260 145 2S -0.01404 0.24081 0.00014 0.01109 0.04683 146 2PX -0.05826 0.02716 -0.01395 0.00127 0.09490 147 2PY 0.01139 -0.00552 -0.00033 -0.00316 -0.00515 148 2PZ 0.09022 0.00671 -0.00716 0.04278 -0.13780 149 3S -0.01418 0.21046 0.00800 0.00031 0.04351 150 3PX -0.00996 0.00286 0.00010 0.00203 0.02376 151 3PY 0.00623 -0.00250 -0.00513 0.00309 0.00101 152 3PZ 0.01543 -0.00011 -0.00382 0.01692 -0.03504 153 4XX -0.00219 -0.00700 -0.00029 -0.00204 0.00230 154 4YY -0.00060 -0.00073 0.00012 0.00009 0.00080 155 4ZZ 0.00530 -0.00139 -0.00010 0.00214 -0.00681 156 4XY 0.00503 -0.00333 0.00124 0.00048 -0.00396 157 4XZ 0.00164 -0.00666 0.00100 -0.00147 -0.00269 158 4YZ -0.00739 -0.00133 0.00059 -0.00148 0.00524 159 15 C 1S 0.10567 -0.06447 0.01275 0.00724 -0.08070 160 2S -0.20530 0.12817 -0.02555 -0.01523 0.16385 161 2PX 0.00702 -0.04464 -0.01060 0.00460 -0.02127 162 2PY 0.05190 0.07797 0.00820 -0.00968 0.10404 163 2PZ 0.01107 0.03747 -0.00022 0.00669 -0.00046 164 3S -0.15233 0.07294 -0.02509 -0.00473 0.12780 165 3PX -0.00247 0.00657 -0.00267 -0.00315 0.00805 166 3PY 0.00494 0.02229 0.00068 -0.00247 0.03748 167 3PZ 0.00881 -0.01007 -0.00276 0.00495 -0.01707 168 4XX 0.00670 0.00004 0.00186 -0.00029 -0.00146 169 4YY -0.00490 -0.00642 -0.00089 0.00069 -0.00747 170 4ZZ 0.00601 0.00096 0.00004 0.00053 -0.00057 171 4XY -0.00085 -0.00407 0.00012 0.00034 -0.00108 172 4XZ 0.00471 -0.00714 0.00107 0.00002 -0.00613 173 4YZ 0.00176 0.00268 0.00031 0.00080 -0.00193 174 16 H 1S -0.06125 -0.03834 -0.01005 0.00877 -0.08120 175 2S -0.01269 -0.00261 -0.00389 0.00345 -0.02733 176 17 H 1S -0.00153 -0.07838 0.00122 -0.00014 -0.01619 177 2S -0.00163 -0.01907 0.00016 0.00327 -0.00474 178 18 H 1S 0.07056 -0.04277 -0.00103 -0.03075 0.09335 179 2S 0.01290 -0.00873 -0.00180 -0.01473 0.03179 180 19 H 1S 0.07059 0.04273 -0.00110 0.03080 -0.09334 181 2S 0.01291 0.00874 -0.00182 0.01474 -0.03178 182 20 H 1S -0.00146 0.07839 0.00119 0.00000 0.01610 183 2S -0.00161 0.01907 0.00015 -0.00333 0.00471 184 21 H 1S -0.06120 0.03839 -0.01006 -0.00873 0.08127 185 2S -0.01269 0.00262 -0.00390 -0.00343 0.02735 186 22 H 1S 0.06841 -0.04376 -0.00803 -0.03302 0.08669 187 2S 0.01612 -0.00724 -0.00283 -0.01300 0.03161 188 23 H 1S 0.06843 0.04372 -0.00811 0.03307 -0.08666 189 2S 0.01613 0.00723 -0.00286 0.01302 -0.03159 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 1 1 C 1S 0.00942 0.01090 -0.00409 -0.00036 0.00588 2 2S -0.02093 -0.02187 0.00865 0.00110 -0.01076 3 2PX 0.02362 -0.04628 0.05098 0.03419 -0.05261 4 2PY 0.04745 -0.19549 0.06010 0.03869 -0.01153 5 2PZ 0.00378 0.15356 0.06757 0.01092 0.03781 6 3S -0.00975 -0.04440 0.01537 0.00644 -0.01816 7 3PX 0.00748 -0.00761 0.02765 0.01430 -0.01824 8 3PY 0.01393 -0.06109 0.01977 0.01139 -0.00886 9 3PZ 0.00439 0.05084 0.03239 0.00448 0.00575 10 4XX 0.00153 0.00174 -0.00691 -0.00150 0.00273 11 4YY -0.00086 -0.00131 -0.00001 -0.00014 -0.00111 12 4ZZ 0.00115 -0.00282 0.00727 0.00239 -0.00124 13 4XY -0.00091 0.00671 -0.00442 -0.00441 -0.00558 14 4XZ 0.00111 -0.00279 -0.00206 0.00092 -0.00327 15 4YZ 0.00074 -0.00165 0.00110 0.00030 0.00424 16 2 C 1S 0.00932 0.01086 -0.00407 -0.00035 -0.00590 17 2S -0.02071 -0.02179 0.00863 0.00106 0.01081 18 2PX 0.02348 -0.04645 0.05107 0.03430 0.05263 19 2PY -0.04762 0.19520 -0.06028 -0.03875 -0.01146 20 2PZ 0.00364 0.15399 0.06736 0.01074 -0.03799 21 3S -0.00954 -0.04429 0.01524 0.00641 0.01818 22 3PX 0.00745 -0.00764 0.02767 0.01435 0.01824 23 3PY -0.01396 0.06103 -0.01987 -0.01143 -0.00885 24 3PZ 0.00435 0.05095 0.03228 0.00443 -0.00582 25 4XX 0.00152 0.00174 -0.00692 -0.00151 -0.00274 26 4YY -0.00087 -0.00135 -0.00001 -0.00013 0.00110 27 4ZZ 0.00115 -0.00279 0.00728 0.00239 0.00126 28 4XY 0.00092 -0.00668 0.00442 0.00440 -0.00559 29 4XZ 0.00109 -0.00280 -0.00204 0.00094 0.00324 30 4YZ -0.00074 0.00165 -0.00111 -0.00030 0.00424 31 3 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00001 32 2S 0.00285 -0.02344 0.00836 -0.00202 -0.00002 33 2PX -0.01561 0.22011 0.14683 0.00042 0.00021 34 2PY 0.00016 0.00017 -0.00028 -0.00016 -0.07079 35 2PZ 0.00731 -0.07969 0.30144 0.09947 0.00018 36 3S 0.00473 -0.04138 0.02723 0.00853 -0.00001 37 3PX -0.00844 0.08450 0.07297 0.00354 0.00007 38 3PY 0.00004 0.00006 -0.00011 -0.00007 -0.02804 39 3PZ 0.00408 -0.01923 0.11946 0.04301 0.00008 40 4XX -0.00055 0.00015 -0.00212 -0.00084 -0.00001 41 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 42 4ZZ -0.00099 0.00009 0.00615 0.00098 0.00001 43 4XY 0.00001 0.00001 -0.00001 -0.00001 -0.00227 44 4XZ 0.00164 -0.01454 0.00685 0.00449 0.00000 45 4YZ -0.00001 0.00000 -0.00002 0.00000 0.00290 46 4 O 1S -0.00788 0.02952 -0.00278 -0.01110 -0.00416 47 2S 0.01896 -0.06740 0.00643 0.02495 0.00883 48 2PX -0.00477 0.05341 0.16041 0.03341 0.06337 49 2PY 0.02731 -0.19861 0.08001 0.06934 0.01160 50 2PZ 0.00869 0.05723 0.12580 0.03151 -0.05838 51 3S 0.02414 -0.09920 0.00698 0.04172 0.02147 52 3PX -0.00466 0.03578 0.08923 0.01748 0.03358 53 3PY 0.01584 -0.11637 0.04803 0.04074 0.00394 54 3PZ 0.00542 0.02712 0.07615 0.01900 -0.02968 55 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 56 4YY -0.00198 0.01675 -0.00724 -0.00595 -0.00110 57 4ZZ 0.00065 -0.00841 0.00323 0.00173 -0.00073 58 4XY 0.00205 -0.01180 -0.00815 -0.00047 -0.00281 59 4XZ -0.00006 0.00510 0.00054 -0.00080 0.00001 60 4YZ -0.00150 0.00146 -0.01120 -0.00382 0.00234 61 5 H 1S 0.00738 -0.12875 0.00459 0.00971 -0.03697 62 2S 0.00576 -0.07793 0.00769 0.00246 -0.02720 63 6 H 1S 0.00754 -0.12877 0.00471 0.00980 0.03709 64 2S 0.00584 -0.07793 0.00775 0.00250 0.02730 65 7 H 1S 0.00036 -0.03001 0.17195 0.04819 0.00014 66 2S -0.00426 -0.02517 0.10560 0.02521 0.00009 67 8 O 1S -0.00786 0.02953 -0.00278 -0.01110 0.00412 68 2S 0.01891 -0.06742 0.00643 0.02494 -0.00875 69 2PX -0.00448 0.05357 0.16045 0.03331 -0.06324 70 2PY -0.02742 0.19860 -0.08025 -0.06943 0.01133 71 2PZ 0.00835 0.05748 0.12572 0.03152 0.05863 72 3S 0.02407 -0.09922 0.00702 0.04170 -0.02129 73 3PX -0.00453 0.03586 0.08928 0.01743 -0.03349 74 3PY -0.01589 0.11638 -0.04817 -0.04079 0.00380 75 3PZ 0.00525 0.02728 0.07610 0.01900 0.02981 76 4XX 0.00144 -0.00629 0.00441 0.00253 0.00039 77 4YY -0.00199 0.01677 -0.00728 -0.00597 0.00108 78 4ZZ 0.00066 -0.00842 0.00326 0.00174 0.00075 79 4XY -0.00204 0.01179 0.00815 0.00046 -0.00280 80 4XZ -0.00007 0.00512 0.00055 -0.00080 -0.00002 81 4YZ 0.00148 -0.00141 0.01118 0.00381 0.00236 82 9 H 1S 0.00689 -0.10831 -0.09039 -0.00871 -0.00014 83 2S 0.00243 -0.06407 -0.05006 -0.00281 -0.00010 84 10 C 1S 0.05702 0.00372 -0.00461 0.00523 0.06954 85 2S -0.11524 -0.00608 0.00989 -0.00984 -0.14349 86 2PX -0.08930 -0.01931 0.02769 -0.11650 -0.06290 87 2PY -0.13470 -0.00268 -0.00742 0.12235 0.08200 88 2PZ 0.08841 0.03280 -0.05980 0.14417 0.07094 89 3S -0.10504 -0.01672 0.01742 -0.01922 -0.15377 90 3PX -0.02722 -0.00293 0.00622 -0.03704 -0.02735 91 3PY -0.02908 0.00142 -0.00402 0.03497 0.03354 92 3PZ 0.02889 0.00952 -0.01939 0.04672 0.03181 93 4XX 0.00702 0.00040 0.00076 0.00090 0.00319 94 4YY -0.00384 -0.00038 0.00100 -0.00205 0.00906 95 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00281 96 4XY 0.00456 0.00015 -0.00021 -0.00210 0.00785 97 4XZ -0.00045 -0.00054 0.00003 0.00131 0.00556 98 4YZ -0.00466 -0.00026 0.00027 0.00046 -0.00925 99 11 C 1S -0.10219 -0.01243 0.00596 0.00758 -0.06160 100 2S 0.20671 0.02606 -0.01136 -0.01798 0.12767 101 2PX -0.00356 0.00924 -0.04257 0.01422 -0.07378 102 2PY -0.07520 0.01892 -0.04305 0.19961 -0.11932 103 2PZ -0.00529 0.00865 -0.02152 0.01138 0.01959 104 3S 0.19334 0.02640 -0.01504 -0.01838 0.14635 105 3PX -0.00839 0.00954 -0.01709 -0.00488 -0.03064 106 3PY -0.03145 0.00910 -0.02106 0.08100 -0.04708 107 3PZ -0.00421 0.00264 -0.00590 0.01026 0.00075 108 4XX -0.00818 -0.00096 0.00300 0.00020 -0.00863 109 4YY 0.00403 0.00063 0.00064 -0.00238 0.01114 110 4ZZ -0.00854 -0.00206 0.00006 -0.00181 -0.00991 111 4XY 0.00040 0.00000 -0.00187 0.00216 -0.00005 112 4XZ 0.00002 -0.00128 -0.00078 0.00153 0.00499 113 4YZ 0.00152 -0.00002 -0.00103 -0.00081 0.00211 114 12 C 1S 0.04250 0.00808 0.00679 0.00556 0.04545 115 2S -0.08557 -0.01802 -0.01488 -0.01011 -0.09135 116 2PX 0.02399 0.00212 -0.09662 0.03187 0.00788 117 2PY -0.07736 -0.00182 -0.02342 0.08428 0.03417 118 2PZ -0.10183 -0.03755 0.00530 -0.10161 -0.10447 119 3S -0.08405 -0.01119 -0.01987 -0.02785 -0.12232 120 3PX 0.00903 -0.00468 -0.04044 0.01505 0.00733 121 3PY -0.02416 -0.00041 -0.00272 0.03839 0.00866 122 3PZ -0.03483 -0.01451 -0.00658 -0.04009 -0.04433 123 4XX -0.00234 -0.00082 0.00329 -0.00497 -0.00641 124 4YY -0.00229 -0.00097 -0.00078 -0.00095 0.00753 125 4ZZ 0.00761 0.00105 -0.00189 0.00213 0.00295 126 4XY -0.00165 -0.00026 0.00069 0.00075 -0.00127 127 4XZ -0.00379 -0.00097 -0.00062 -0.00323 -0.00274 128 4YZ 0.00493 0.00010 0.00095 -0.00328 0.00988 129 13 C 1S 0.04255 0.00808 0.00684 0.00558 -0.04543 130 2S -0.08568 -0.01802 -0.01499 -0.01015 0.09132 131 2PX 0.02390 0.00212 -0.09664 0.03191 -0.00757 132 2PY 0.07748 0.00188 0.02332 -0.08411 0.03411 133 2PZ -0.10173 -0.03756 0.00527 -0.10175 0.10457 134 3S -0.08421 -0.01122 -0.01996 -0.02786 0.12225 135 3PX 0.00900 -0.00468 -0.04047 0.01510 -0.00719 136 3PY 0.02422 0.00043 0.00271 -0.03832 0.00861 137 3PZ -0.03479 -0.01450 -0.00663 -0.04016 0.04434 138 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00642 139 4YY -0.00227 -0.00097 -0.00077 -0.00096 -0.00756 140 4ZZ 0.00760 0.00105 -0.00188 0.00214 -0.00293 141 4XY 0.00165 0.00026 -0.00068 -0.00075 -0.00125 142 4XZ -0.00377 -0.00097 -0.00063 -0.00322 0.00273 143 4YZ -0.00496 -0.00011 -0.00096 0.00327 0.00987 144 14 C 1S -0.10222 -0.01243 0.00589 0.00757 0.06160 145 2S 0.20676 0.02605 -0.01121 -0.01797 -0.12766 146 2PX -0.00353 0.00933 -0.04277 0.01438 0.07395 147 2PY 0.07523 -0.01899 0.04310 -0.19956 -0.11914 148 2PZ -0.00519 0.00863 -0.02140 0.01104 -0.01974 149 3S 0.19347 0.02645 -0.01500 -0.01835 -0.14639 150 3PX -0.00838 0.00960 -0.01715 -0.00482 0.03071 151 3PY 0.03141 -0.00915 0.02113 -0.08104 -0.04699 152 3PZ -0.00416 0.00262 -0.00585 0.01012 -0.00079 153 4XX -0.00818 -0.00096 0.00299 0.00021 0.00863 154 4YY 0.00404 0.00063 0.00065 -0.00239 -0.01114 155 4ZZ -0.00855 -0.00206 0.00006 -0.00181 0.00992 156 4XY -0.00041 0.00000 0.00187 -0.00217 -0.00004 157 4XZ 0.00002 -0.00128 -0.00077 0.00152 -0.00499 158 4YZ -0.00149 0.00002 0.00103 0.00080 0.00206 159 15 C 1S 0.05698 0.00368 -0.00453 0.00526 -0.06954 160 2S -0.11515 -0.00599 0.00972 -0.00990 0.14349 161 2PX -0.08945 -0.01931 0.02765 -0.11638 0.06285 162 2PY 0.13452 0.00266 0.00743 -0.12270 0.08222 163 2PZ 0.08859 0.03279 -0.05972 0.14395 -0.07080 164 3S -0.10506 -0.01671 0.01733 -0.01931 0.15382 165 3PX -0.02721 -0.00289 0.00616 -0.03700 0.02731 166 3PY 0.02906 -0.00141 0.00397 -0.03507 0.03363 167 3PZ 0.02888 0.00947 -0.01933 0.04666 -0.03172 168 4XX 0.00703 0.00040 0.00076 0.00090 -0.00321 169 4YY -0.00387 -0.00038 0.00101 -0.00204 -0.00902 170 4ZZ 0.00295 0.00007 -0.00049 -0.00342 0.00279 171 4XY -0.00455 -0.00014 0.00020 0.00210 0.00786 172 4XZ -0.00047 -0.00055 0.00003 0.00132 -0.00554 173 4YZ 0.00465 0.00026 -0.00026 -0.00046 -0.00927 174 16 H 1S -0.06456 -0.01844 0.03460 -0.12049 -0.13842 175 2S -0.02740 -0.01177 0.02241 -0.08522 -0.08664 176 17 H 1S 0.11677 -0.00019 0.02006 -0.11153 0.13181 177 2S 0.05091 -0.00379 0.01347 -0.06814 0.08346 178 18 H 1S -0.04243 -0.01137 0.05540 -0.04760 -0.06780 179 2S -0.01760 -0.01371 0.05152 -0.02203 -0.03710 180 19 H 1S -0.04250 -0.01140 0.05532 -0.04768 0.06773 181 2S -0.01763 -0.01371 0.05145 -0.02207 0.03710 182 20 H 1S 0.11680 -0.00023 0.02014 -0.11149 -0.13175 183 2S 0.05093 -0.00381 0.01351 -0.06809 -0.08342 184 21 H 1S -0.06451 -0.01839 0.03447 -0.12051 0.13843 185 2S -0.02740 -0.01176 0.02235 -0.08523 0.08666 186 22 H 1S -0.04639 -0.01879 -0.03232 -0.04631 -0.08449 187 2S -0.02135 -0.00974 -0.01508 -0.03115 -0.05210 188 23 H 1S -0.04642 -0.01878 -0.03244 -0.04628 0.08458 189 2S -0.02137 -0.00973 -0.01514 -0.03113 0.05218 26 27 28 29 30 O O O O O Eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.04340 -0.00823 0.00341 -0.00434 0.00573 2 2S 0.08689 0.02243 -0.01036 0.00811 -0.00810 3 2PX 0.13242 -0.09511 0.13169 0.02801 0.01130 4 2PY 0.07278 0.02160 -0.00052 -0.01143 -0.00231 5 2PZ -0.20012 0.03144 -0.16467 -0.02598 0.02533 6 3S 0.13920 0.00777 -0.01201 0.01694 -0.04809 7 3PX 0.03523 -0.03435 0.04741 0.00533 0.00367 8 3PY 0.00538 0.00615 -0.00324 0.00031 0.01927 9 3PZ -0.05286 0.00423 -0.06073 -0.00700 0.01609 10 4XX -0.01108 -0.00022 -0.00663 -0.00396 -0.00159 11 4YY 0.00184 -0.00046 0.00231 0.00138 0.00148 12 4ZZ 0.00415 -0.00124 0.00651 0.00176 0.00187 13 4XY 0.01343 -0.00076 0.00455 0.00022 0.00123 14 4XZ 0.00593 -0.00540 0.00277 0.00139 -0.00026 15 4YZ -0.02182 0.00218 -0.00461 -0.00012 0.00319 16 2 C 1S 0.04328 -0.00873 0.00374 -0.00429 -0.00570 17 2S -0.08656 0.02344 -0.01101 0.00802 0.00803 18 2PX -0.13464 -0.09362 0.13079 0.02795 -0.01151 19 2PY 0.07205 -0.02244 0.00136 0.01154 -0.00297 20 2PZ 0.20164 0.02927 -0.16308 -0.02579 -0.02567 21 3S -0.13901 0.00935 -0.01308 0.01672 0.04796 22 3PX -0.03600 -0.03395 0.04714 0.00533 -0.00379 23 3PY 0.00515 -0.00616 0.00336 -0.00035 0.01910 24 3PZ 0.05327 0.00365 -0.06029 -0.00698 -0.01618 25 4XX 0.01110 -0.00035 -0.00654 -0.00394 0.00161 26 4YY -0.00180 -0.00044 0.00229 0.00138 -0.00151 27 4ZZ -0.00425 -0.00119 0.00648 0.00175 -0.00183 28 4XY 0.01351 0.00062 -0.00446 -0.00022 0.00120 29 4XZ -0.00596 -0.00533 0.00271 0.00138 0.00024 30 4YZ -0.02189 -0.00195 0.00443 0.00010 0.00321 31 3 C 1S -0.00020 -0.01984 0.02043 -0.00013 -0.00005 32 2S 0.00043 0.04353 -0.04013 0.00101 0.00012 33 2PX -0.00106 0.00890 0.29898 0.03912 0.00032 34 2PY 0.19147 -0.00128 0.00091 0.00011 -0.00995 35 2PZ 0.00173 0.19833 -0.06934 0.01121 -0.00009 36 3S 0.00054 0.05138 -0.05413 0.00647 0.00014 37 3PX -0.00044 -0.00566 0.10989 0.00773 0.00014 38 3PY 0.08923 -0.00059 0.00039 0.00003 0.00178 39 3PZ 0.00070 0.08657 -0.01962 0.01499 -0.00004 40 4XX 0.00010 0.00313 -0.02269 -0.00375 -0.00001 41 4YY -0.00019 -0.01636 0.02992 0.00468 -0.00001 42 4ZZ 0.00009 0.01230 -0.00794 -0.00148 0.00002 43 4XY 0.00391 -0.00002 0.00001 0.00000 0.00211 44 4XZ 0.00004 0.00182 -0.00457 0.00025 -0.00001 45 4YZ -0.00850 0.00002 0.00000 0.00000 0.00433 46 4 O 1S 0.01696 0.01254 -0.02325 -0.00417 0.00052 47 2S -0.03689 -0.02804 0.05143 0.00892 -0.00296 48 2PX -0.20066 0.12976 -0.15476 -0.02103 0.04587 49 2PY -0.02964 -0.00041 -0.02291 0.01377 0.02070 50 2PZ 0.12060 -0.05312 0.18994 0.04672 0.05289 51 3S -0.08806 -0.04886 0.10425 0.01770 0.00096 52 3PX -0.10832 0.07226 -0.08116 -0.01170 0.03277 53 3PY -0.00790 -0.00881 -0.00870 0.00954 0.01257 54 3PZ 0.05817 -0.03001 0.10581 0.03040 0.03683 55 4XX -0.00005 0.00066 -0.00831 -0.00066 0.00100 56 4YY 0.00227 0.00027 0.00211 -0.00070 -0.00153 57 4ZZ 0.00540 0.00298 -0.00038 -0.00005 -0.00121 58 4XY 0.00853 -0.00648 0.00497 0.00084 -0.00145 59 4XZ -0.00202 -0.00353 0.00343 0.00036 0.00144 60 4YZ -0.00507 0.00046 -0.00950 -0.00241 -0.00199 61 5 H 1S 0.18940 -0.01098 0.09027 0.01451 -0.01368 62 2S 0.14789 -0.01190 0.07336 0.00779 -0.00315 63 6 H 1S -0.19014 -0.00895 0.08883 0.01434 0.01403 64 2S -0.14854 -0.01030 0.07221 0.00763 0.00347 65 7 H 1S 0.00099 0.12923 -0.03839 0.00244 0.00005 66 2S 0.00065 0.07776 -0.03203 -0.01649 0.00003 67 8 O 1S -0.01664 0.01275 -0.02341 -0.00420 -0.00040 68 2S 0.03619 -0.02848 0.05176 0.00898 0.00272 69 2PX 0.20330 0.12755 -0.15309 -0.02083 -0.04585 70 2PY -0.02965 0.00099 0.02208 -0.01399 0.02146 71 2PZ -0.12270 -0.05183 0.18922 0.04663 -0.05302 72 3S 0.08668 -0.04993 0.10508 0.01788 -0.00152 73 3PX 0.10974 0.07107 -0.08024 -0.01158 -0.03274 74 3PY -0.00782 0.00904 0.00832 -0.00967 0.01304 75 3PZ -0.05931 -0.02937 0.10548 0.03035 -0.03693 76 4XX 0.00012 0.00066 -0.00830 -0.00066 -0.00101 77 4YY -0.00227 0.00030 0.00205 -0.00072 0.00159 78 4ZZ -0.00537 0.00304 -0.00040 -0.00006 0.00122 79 4XY 0.00864 0.00640 -0.00491 -0.00083 -0.00145 80 4XZ 0.00197 -0.00354 0.00344 0.00036 -0.00144 81 4YZ -0.00514 -0.00041 0.00947 0.00241 -0.00199 82 9 H 1S 0.00071 0.00144 -0.19583 -0.02667 -0.00013 83 2S 0.00047 -0.00860 -0.14789 -0.02502 -0.00013 84 10 C 1S 0.01119 -0.00130 0.00259 0.00503 -0.00674 85 2S -0.02092 0.00239 -0.00791 -0.01051 0.01764 86 2PX -0.01408 0.00944 -0.03104 0.15433 -0.12077 87 2PY 0.01078 -0.05737 -0.03606 0.19653 0.01481 88 2PZ 0.03558 0.05785 0.01680 -0.07682 0.16405 89 3S -0.03568 0.00549 0.00328 -0.01427 0.02549 90 3PX 0.00025 0.00840 -0.01598 0.06150 -0.01622 91 3PY -0.00473 -0.01738 -0.01234 0.07225 0.03694 92 3PZ 0.01241 0.02809 0.00606 -0.02506 0.03671 93 4XX -0.00011 -0.00217 0.00088 -0.00437 0.00155 94 4YY 0.00215 -0.00039 -0.00116 0.00309 -0.00774 95 4ZZ 0.00008 0.00265 -0.00010 0.00260 0.00083 96 4XY 0.00199 0.00171 0.00027 -0.00084 0.00671 97 4XZ 0.00022 -0.00064 0.00069 0.00131 -0.00155 98 4YZ -0.00367 -0.00010 -0.00048 0.00075 -0.01098 99 11 C 1S -0.02374 0.00076 0.00389 -0.00058 -0.02738 100 2S 0.04997 0.00063 -0.00763 0.00097 0.06305 101 2PX 0.01253 0.10544 0.03937 -0.12518 0.10075 102 2PY -0.02925 -0.01595 0.00080 -0.03561 0.25438 103 2PZ 0.02251 -0.00112 -0.04120 0.23686 0.03149 104 3S 0.05780 -0.01211 -0.01675 0.01210 0.09505 105 3PX 0.00334 0.04405 0.01132 -0.03651 0.04759 106 3PY -0.00944 -0.01964 -0.00853 -0.00723 0.07516 107 3PZ 0.02117 0.00490 -0.01298 0.08432 0.01015 108 4XX -0.00268 0.00006 -0.00022 -0.00440 0.00056 109 4YY 0.00332 -0.00146 -0.00080 0.00260 -0.01168 110 4ZZ -0.00431 0.00115 0.00157 0.00350 0.00278 111 4XY 0.00060 0.00365 0.00091 -0.00122 0.00320 112 4XZ -0.00066 0.00388 0.00244 0.00453 0.00024 113 4YZ 0.00095 0.00052 -0.00121 0.00457 -0.00082 114 12 C 1S 0.01413 0.00505 0.00046 0.00003 -0.00886 115 2S -0.03016 -0.01118 -0.00057 0.00168 0.01675 116 2PX 0.01891 0.22935 0.07276 0.12349 0.12741 117 2PY 0.01120 -0.01045 0.01418 -0.14003 0.01440 118 2PZ -0.04216 0.10590 0.07130 -0.15630 -0.07861 119 3S -0.04066 -0.01674 -0.00849 0.00238 0.05387 120 3PX -0.00185 0.10348 0.03532 0.05634 0.06029 121 3PY 0.00922 0.00075 0.01010 -0.06573 0.03119 122 3PZ -0.02041 0.04049 0.02580 -0.07072 -0.02688 123 4XX -0.00244 -0.00087 0.00016 -0.00463 -0.00345 124 4YY 0.00211 -0.00104 0.00009 -0.00205 -0.00505 125 4ZZ 0.00063 0.00332 0.00083 0.00507 0.00687 126 4XY -0.00151 -0.00302 -0.00088 -0.00124 -0.00779 127 4XZ -0.00131 0.00828 0.00353 0.00199 -0.00169 128 4YZ 0.00352 -0.00015 -0.00056 0.00272 0.00141 129 13 C 1S -0.01408 0.00527 0.00039 0.00002 0.00884 130 2S 0.03005 -0.01164 -0.00040 0.00170 -0.01669 131 2PX -0.01704 0.22961 0.07271 0.12348 -0.12746 132 2PY 0.01119 0.01023 -0.01419 0.14031 0.01412 133 2PZ 0.04287 0.10526 0.07150 -0.15610 0.07821 134 3S 0.04056 -0.01739 -0.00825 0.00245 -0.05372 135 3PX 0.00268 0.10347 0.03535 0.05633 -0.06031 136 3PY 0.00918 -0.00086 -0.01004 0.06583 0.03110 137 3PZ 0.02068 0.04018 0.02591 -0.07061 0.02675 138 4XX 0.00244 -0.00088 0.00018 -0.00463 0.00344 139 4YY -0.00213 -0.00100 0.00008 -0.00205 0.00505 140 4ZZ -0.00059 0.00331 0.00082 0.00507 -0.00687 141 4XY -0.00148 0.00303 0.00087 0.00124 -0.00780 142 4XZ 0.00136 0.00828 0.00354 0.00201 0.00164 143 4YZ 0.00352 0.00009 0.00058 -0.00273 0.00143 144 14 C 1S 0.02373 0.00047 0.00401 -0.00061 0.02735 145 2S -0.04991 0.00125 -0.00788 0.00103 -0.06299 146 2PX -0.01165 0.10551 0.03924 -0.12506 -0.10124 147 2PY -0.02915 0.01671 -0.00077 0.03487 0.25429 148 2PZ -0.02246 -0.00094 -0.04142 0.23682 -0.03063 149 3S -0.05785 -0.01139 -0.01706 0.01224 -0.09496 150 3PX -0.00294 0.04406 0.01129 -0.03645 -0.04775 151 3PY -0.00927 0.01988 0.00855 0.00698 0.07514 152 3PZ -0.02113 0.00513 -0.01315 0.08431 -0.00994 153 4XX 0.00268 0.00003 -0.00021 -0.00441 -0.00057 154 4YY -0.00333 -0.00141 -0.00082 0.00260 0.01170 155 4ZZ 0.00431 0.00108 0.00160 0.00349 -0.00279 156 4XY 0.00057 -0.00366 -0.00091 0.00119 0.00320 157 4XZ 0.00069 0.00388 0.00245 0.00456 -0.00024 158 4YZ 0.00092 -0.00053 0.00122 -0.00456 -0.00080 159 15 C 1S -0.01122 -0.00112 0.00258 0.00506 0.00674 160 2S 0.02101 0.00205 -0.00790 -0.01057 -0.01764 161 2PX 0.01426 0.00916 -0.03106 0.15431 0.12118 162 2PY 0.01120 0.05712 0.03600 -0.19631 0.01501 163 2PZ -0.03497 0.05836 0.01667 -0.07675 -0.16407 164 3S 0.03570 0.00493 0.00339 -0.01441 -0.02555 165 3PX -0.00009 0.00835 -0.01604 0.06155 0.01636 166 3PY -0.00462 0.01739 0.01223 -0.07220 0.03690 167 3PZ -0.01212 0.02827 0.00601 -0.02510 -0.03665 168 4XX 0.00008 -0.00217 0.00089 -0.00438 -0.00158 169 4YY -0.00214 -0.00036 -0.00117 0.00309 0.00778 170 4ZZ -0.00007 0.00265 -0.00011 0.00260 -0.00084 171 4XY 0.00197 -0.00175 -0.00026 0.00081 0.00670 172 4XZ -0.00022 -0.00064 0.00069 0.00131 0.00157 173 4YZ -0.00368 0.00014 0.00046 -0.00072 -0.01096 174 16 H 1S -0.03403 -0.00309 -0.00884 0.01623 -0.11245 175 2S -0.02852 -0.00126 -0.00543 0.01605 -0.10973 176 17 H 1S 0.03818 0.00172 -0.00451 0.02010 -0.13988 177 2S 0.02415 -0.00296 -0.00591 0.01921 -0.14218 178 18 H 1S -0.03210 -0.09937 -0.02825 -0.06363 -0.08255 179 2S -0.02320 -0.06356 -0.00950 -0.04913 -0.07455 180 19 H 1S 0.03129 -0.09976 -0.02806 -0.06374 0.08252 181 2S 0.02265 -0.06382 -0.00939 -0.04923 0.07449 182 20 H 1S -0.03819 0.00241 -0.00465 0.01999 0.13987 183 2S -0.02419 -0.00248 -0.00599 0.01909 0.14214 184 21 H 1S 0.03399 -0.00358 -0.00874 0.01594 0.11255 185 2S 0.02850 -0.00165 -0.00532 0.01578 0.10985 186 22 H 1S -0.02533 0.12795 0.05385 0.01212 0.02390 187 2S -0.01169 0.10037 0.04353 0.00916 0.01479 188 23 H 1S 0.02626 0.12761 0.05401 0.01227 -0.02421 189 2S 0.01241 0.10021 0.04359 0.00927 -0.01508 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38415 -0.37327 -0.35526 -0.34881 1 1 C 1S 0.01693 0.00694 0.01727 0.03094 -0.00018 2 2S -0.03776 -0.01691 -0.03513 -0.07034 0.00330 3 2PX -0.11957 -0.02819 -0.05561 0.07472 -0.12374 4 2PY 0.23123 0.11830 -0.00857 0.00386 -0.18235 5 2PZ -0.09942 -0.03286 -0.08246 -0.04445 -0.12789 6 3S -0.05899 -0.02342 -0.07135 -0.10615 0.00132 7 3PX -0.05942 -0.01765 -0.05559 -0.00834 -0.08675 8 3PY 0.05981 0.02882 0.01924 0.05227 -0.05854 9 3PZ -0.04600 -0.00576 -0.03757 0.01270 -0.08085 10 4XX 0.01016 0.00359 0.00610 -0.00544 0.00037 11 4YY -0.00909 -0.00439 0.00396 0.01150 0.00545 12 4ZZ 0.00694 0.00473 -0.00790 -0.00272 -0.00895 13 4XY 0.00673 0.00169 -0.00605 -0.00332 0.00188 14 4XZ -0.00730 -0.00268 0.00250 0.00899 0.00649 15 4YZ -0.00409 -0.00263 -0.00410 0.00352 0.00623 16 2 C 1S 0.01686 0.00693 -0.01728 -0.03096 -0.00038 17 2S -0.03761 -0.01687 0.03515 0.07038 0.00374 18 2PX -0.11954 -0.02812 0.05561 -0.07393 -0.12412 19 2PY -0.23103 -0.11823 -0.00814 0.00325 0.18262 20 2PZ -0.09972 -0.03293 0.08243 0.04501 -0.12748 21 3S -0.05873 -0.02338 0.07139 0.10616 0.00188 22 3PX -0.05941 -0.01759 0.05557 0.00886 -0.08671 23 3PY -0.05959 -0.02879 0.01931 0.05213 0.05873 24 3PZ -0.04601 -0.00576 0.03759 -0.01228 -0.08095 25 4XX 0.01016 0.00358 -0.00614 0.00542 0.00042 26 4YY -0.00910 -0.00439 -0.00393 -0.01153 0.00542 27 4ZZ 0.00694 0.00474 0.00788 0.00277 -0.00899 28 4XY -0.00676 -0.00171 -0.00604 -0.00328 -0.00188 29 4XZ -0.00734 -0.00270 -0.00250 -0.00901 0.00646 30 4YZ 0.00405 0.00260 -0.00414 0.00351 -0.00617 31 3 C 1S -0.03130 -0.01592 0.00004 -0.00001 0.02086 32 2S 0.07641 0.03963 -0.00010 0.00002 -0.05254 33 2PX 0.15452 0.07157 -0.00019 -0.00015 0.06510 34 2PY -0.00016 -0.00007 -0.06905 -0.17976 -0.00051 35 2PZ -0.01799 0.00016 -0.00005 -0.00047 0.17946 36 3S 0.08257 0.04561 -0.00012 0.00006 -0.06789 37 3PX 0.06704 0.03034 -0.00009 -0.00003 0.00657 38 3PY -0.00002 -0.00002 -0.02100 -0.00551 -0.00005 39 3PZ -0.02674 0.00027 -0.00001 -0.00008 0.04819 40 4XX -0.00402 -0.00156 0.00001 0.00003 -0.01843 41 4YY -0.01126 -0.00388 0.00002 -0.00002 0.00293 42 4ZZ 0.01304 0.00460 -0.00002 -0.00001 0.01775 43 4XY -0.00001 -0.00001 -0.01650 -0.01812 -0.00003 44 4XZ -0.00786 -0.00305 -0.00001 -0.00002 0.00389 45 4YZ -0.00002 -0.00001 -0.00763 0.01714 0.00004 46 4 O 1S 0.03748 0.01423 -0.01760 -0.03613 -0.01848 47 2S -0.07457 -0.02602 0.03965 0.07274 0.03609 48 2PX 0.04365 0.02383 -0.17532 -0.06738 -0.13842 49 2PY -0.20853 -0.08324 0.09729 0.41169 0.10697 50 2PZ -0.11716 -0.03199 -0.20943 0.03400 -0.09738 51 3S -0.17848 -0.07422 0.06348 0.13353 0.08473 52 3PX 0.02997 0.01441 -0.12781 -0.04953 -0.09585 53 3PY -0.12820 -0.05025 0.06196 0.27482 0.06983 54 3PZ -0.07721 -0.02177 -0.13945 0.02426 -0.05993 55 4XX -0.00403 -0.00041 -0.00513 0.00062 -0.01003 56 4YY 0.01540 0.00640 -0.00350 -0.02028 -0.00703 57 4ZZ 0.00533 0.00242 0.00346 0.00179 0.00748 58 4XY -0.00010 0.00004 0.00860 0.00813 0.00211 59 4XZ -0.00067 -0.00041 -0.00242 0.00200 -0.00134 60 4YZ 0.00250 -0.00080 0.00771 -0.00319 0.00636 61 5 H 1S 0.10334 0.05196 0.00686 -0.00521 -0.04074 62 2S 0.09581 0.05555 0.01345 0.00968 -0.05579 63 6 H 1S 0.10330 0.05192 -0.00698 0.00530 -0.04084 64 2S 0.09584 0.05550 -0.01360 -0.00953 -0.05601 65 7 H 1S 0.05621 0.02390 -0.00005 -0.00025 0.12005 66 2S 0.05454 0.01111 -0.00003 -0.00030 0.15193 67 8 O 1S 0.03756 0.01426 0.01753 0.03613 -0.01833 68 2S -0.07471 -0.02610 -0.03951 -0.07273 0.03578 69 2PX 0.04365 0.02405 0.17531 0.06761 -0.13874 70 2PY 0.20933 0.08352 0.09655 0.41191 -0.10510 71 2PZ -0.11665 -0.03155 0.20978 -0.03266 -0.09839 72 3S -0.17882 -0.07437 -0.06314 -0.13346 0.08422 73 3PX 0.02998 0.01458 0.12779 0.04969 -0.09605 74 3PY 0.12870 0.05043 0.06149 0.27497 -0.06857 75 3PZ -0.07687 -0.02147 0.13971 -0.02340 -0.06063 76 4XX -0.00403 -0.00040 0.00513 -0.00059 -0.01005 77 4YY 0.01544 0.00641 0.00345 0.02030 -0.00693 78 4ZZ 0.00532 0.00242 -0.00344 -0.00184 0.00747 79 4XY 0.00010 -0.00002 0.00860 0.00813 -0.00210 80 4XZ -0.00067 -0.00041 0.00243 -0.00198 -0.00135 81 4YZ -0.00248 0.00082 0.00772 -0.00312 -0.00644 82 9 H 1S -0.05865 -0.02633 0.00008 0.00017 -0.10327 83 2S -0.06678 -0.02973 0.00008 0.00017 -0.09891 84 10 C 1S -0.00998 0.01764 -0.01085 0.00564 -0.00509 85 2S 0.02441 -0.04018 0.02199 -0.00838 0.01104 86 2PX -0.02164 0.07903 -0.05001 0.02577 0.06484 87 2PY 0.11426 -0.19118 0.00063 0.00067 -0.08217 88 2PZ 0.06193 -0.09365 0.01760 -0.01639 0.08531 89 3S 0.01827 -0.06650 0.07774 -0.05449 0.01043 90 3PX -0.00344 0.03128 -0.03148 0.02522 0.04003 91 3PY 0.03852 -0.05037 0.01262 -0.00296 -0.03214 92 3PZ 0.02355 -0.02982 0.01982 -0.01912 0.04531 93 4XX -0.00311 0.00315 0.00320 -0.00085 -0.00326 94 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 95 4ZZ -0.00360 0.00916 -0.00062 0.00078 0.00378 96 4XY 0.00092 -0.00115 0.00198 -0.00124 0.00182 97 4XZ 0.00265 -0.00609 -0.00204 0.00114 -0.00289 98 4YZ -0.00074 0.00278 0.00017 0.00078 0.00156 99 11 C 1S -0.00335 -0.00253 -0.00621 0.00443 -0.00776 100 2S 0.00573 0.00649 0.01851 -0.01277 0.01949 101 2PX 0.00229 -0.01316 -0.05232 0.01293 0.09589 102 2PY -0.01316 0.05022 0.13675 -0.05868 0.02120 103 2PZ 0.01540 0.03910 -0.03070 0.01244 0.06721 104 3S 0.01600 0.01071 -0.01232 0.01655 0.01467 105 3PX 0.00148 0.01043 -0.05377 0.02935 0.05670 106 3PY -0.00482 0.00964 0.01680 -0.00958 0.00985 107 3PZ 0.00693 -0.01472 -0.01452 0.00016 0.04220 108 4XX -0.00094 0.00035 0.00515 -0.00166 0.00137 109 4YY 0.00198 -0.00348 -0.00663 0.00266 -0.00410 110 4ZZ -0.00151 0.00078 0.00025 0.00011 -0.00218 111 4XY 0.00434 -0.00588 -0.00127 0.00024 0.00136 112 4XZ -0.00133 -0.00139 -0.00402 0.00236 -0.00623 113 4YZ -0.00222 0.01021 -0.00124 0.00048 0.00249 114 12 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00273 115 2S -0.00755 0.04515 -0.00038 -0.00386 0.00795 116 2PX -0.08141 0.04495 -0.15613 0.08163 -0.08054 117 2PY -0.07395 0.21907 0.01024 -0.00242 -0.04208 118 2PZ 0.00718 -0.16411 -0.09247 0.04280 -0.06545 119 3S -0.00382 0.08484 0.04617 0.00041 -0.00094 120 3PX -0.03287 0.01853 -0.06147 0.02249 -0.03266 121 3PY -0.03473 0.09040 0.04173 -0.01339 -0.01871 122 3PZ 0.01613 -0.08308 -0.06034 0.02688 -0.02480 123 4XX 0.00435 -0.01048 0.00124 -0.00089 0.00330 124 4YY -0.00170 0.00682 -0.00237 0.00079 -0.00059 125 4ZZ -0.00111 -0.00221 -0.00012 0.00015 -0.00286 126 4XY 0.00074 -0.00051 0.01122 -0.00585 0.00004 127 4XZ -0.00446 -0.00228 -0.00668 0.00434 -0.00976 128 4YZ 0.00023 0.00024 0.00379 -0.00185 0.00001 129 13 C 1S 0.00304 -0.02069 0.00250 -0.00129 -0.00271 130 2S -0.00754 0.04517 0.00033 0.00384 0.00791 131 2PX -0.08102 0.04554 0.15593 -0.08121 -0.08083 132 2PY 0.07387 -0.21880 0.01067 -0.00271 0.04213 133 2PZ 0.00721 -0.16446 0.09244 -0.04249 -0.06578 134 3S -0.00358 0.08488 -0.04626 -0.00040 -0.00109 135 3PX -0.03262 0.01877 0.06139 -0.02232 -0.03265 136 3PY 0.03459 -0.09029 0.04187 -0.01349 0.01863 137 3PZ 0.01603 -0.08321 0.06038 -0.02679 -0.02507 138 4XX 0.00434 -0.01049 -0.00121 0.00086 0.00329 139 4YY -0.00171 0.00682 0.00235 -0.00078 -0.00059 140 4ZZ -0.00109 -0.00218 0.00011 -0.00013 -0.00285 141 4XY -0.00071 0.00054 0.01121 -0.00584 -0.00004 142 4XZ -0.00448 -0.00225 0.00668 -0.00430 -0.00979 143 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00003 144 14 C 1S -0.00342 -0.00258 0.00624 -0.00440 -0.00780 145 2S 0.00590 0.00661 -0.01856 0.01271 0.01959 146 2PX 0.00271 -0.01284 0.05244 -0.01335 0.09607 147 2PY 0.01263 -0.05057 0.13681 -0.05858 -0.02145 148 2PZ 0.01557 0.03911 0.03095 -0.01278 0.06742 149 3S 0.01612 0.01091 0.01217 -0.01659 0.01463 150 3PX 0.00169 0.01059 0.05387 -0.02964 0.05664 151 3PY 0.00478 -0.00968 0.01686 -0.00962 -0.00987 152 3PZ 0.00691 -0.01469 0.01459 -0.00033 0.04231 153 4XX -0.00094 0.00034 -0.00514 0.00164 0.00136 154 4YY 0.00195 -0.00345 0.00662 -0.00264 -0.00411 155 4ZZ -0.00150 0.00075 -0.00027 -0.00009 -0.00218 156 4XY -0.00436 0.00588 -0.00129 0.00026 -0.00134 157 4XZ -0.00133 -0.00136 0.00401 -0.00233 -0.00625 158 4YZ 0.00223 -0.01023 -0.00121 0.00048 -0.00250 159 15 C 1S -0.00999 0.01763 0.01081 -0.00560 -0.00513 160 2S 0.02443 -0.04015 -0.02192 0.00830 0.01110 161 2PX -0.02182 0.07869 0.05005 -0.02605 0.06463 162 2PY -0.11440 0.19137 0.00076 0.00024 0.08211 163 2PZ 0.06223 -0.09305 -0.01733 0.01593 0.08561 164 3S 0.01840 -0.06649 -0.07763 0.05444 0.01072 165 3PX -0.00346 0.03122 0.03151 -0.02542 0.03989 166 3PY -0.03873 0.05040 0.01273 -0.00315 0.03212 167 3PZ 0.02366 -0.02967 -0.01967 0.01886 0.04550 168 4XX -0.00311 0.00315 -0.00322 0.00087 -0.00326 169 4YY 0.00325 -0.00571 0.00485 -0.00224 -0.00107 170 4ZZ -0.00360 0.00915 0.00062 -0.00080 0.00377 171 4XY -0.00095 0.00115 0.00196 -0.00122 -0.00182 172 4XZ 0.00264 -0.00609 0.00205 -0.00113 -0.00291 173 4YZ 0.00079 -0.00279 0.00018 0.00079 -0.00156 174 16 H 1S -0.06097 0.11479 -0.01203 0.01064 0.01683 175 2S -0.05765 0.11970 -0.00976 0.00873 0.01669 176 17 H 1S 0.01401 -0.03201 -0.07864 0.03237 -0.02004 177 2S 0.01028 -0.03582 -0.08718 0.02910 -0.02216 178 18 H 1S 0.06100 -0.08532 0.08492 -0.04668 0.05425 179 2S 0.04171 -0.08589 0.09788 -0.06880 0.05654 180 19 H 1S 0.06075 -0.08571 -0.08461 0.04633 0.05432 181 2S 0.04157 -0.08625 -0.09754 0.06844 0.05686 182 20 H 1S 0.01373 -0.03215 0.07866 -0.03227 -0.02014 183 2S 0.00994 -0.03598 0.08720 -0.02895 -0.02225 184 21 H 1S -0.06128 0.11459 0.01197 -0.01069 0.01675 185 2S -0.05793 0.11950 0.00969 -0.00879 0.01661 186 22 H 1S -0.02010 -0.07989 -0.11102 0.05662 -0.05806 187 2S -0.02537 -0.07549 -0.09571 0.05376 -0.06169 188 23 H 1S -0.02000 -0.07957 0.11104 -0.05638 -0.05841 189 2S -0.02528 -0.07521 0.09573 -0.05350 -0.06198 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 1 1 C 1S -0.00396 -0.00534 0.00347 -0.01310 -0.00033 2 2S 0.01442 0.00848 -0.00543 0.03296 0.00339 3 2PX 0.06828 0.04164 -0.04080 0.03639 -0.07715 4 2PY 0.02119 0.01558 -0.07047 0.02280 0.01286 5 2PZ 0.03294 0.00489 -0.01760 -0.00902 -0.10282 6 3S -0.03882 0.03302 -0.01014 0.03765 0.00078 7 3PX 0.06165 0.01591 -0.02915 0.01484 -0.08164 8 3PY 0.04193 0.00392 -0.02059 0.01825 -0.01861 9 3PZ 0.00489 0.02492 -0.01765 0.00816 -0.07167 10 4XX -0.01179 -0.00672 0.00324 -0.01370 -0.00976 11 4YY 0.00248 0.00148 0.00236 0.00226 0.00212 12 4ZZ 0.00723 0.00412 -0.00537 0.00947 0.00523 13 4XY 0.00318 0.00174 0.00108 0.00084 -0.00507 14 4XZ -0.00162 0.00017 0.00258 -0.00410 -0.00508 15 4YZ 0.00351 0.00071 0.00252 -0.00146 -0.00731 16 2 C 1S 0.00395 0.00530 0.00343 -0.01308 0.00060 17 2S -0.01441 -0.00842 -0.00535 0.03295 -0.00384 18 2PX -0.06824 -0.04133 -0.04072 0.03641 0.07348 19 2PY 0.02143 0.01520 0.07047 -0.02273 0.01419 20 2PZ -0.03278 -0.00475 -0.01746 -0.00901 0.09995 21 3S 0.03889 -0.03289 -0.01001 0.03744 -0.00279 22 3PX -0.06154 -0.01569 -0.02903 0.01481 0.07940 23 3PY 0.04197 0.00386 0.02064 -0.01831 -0.01746 24 3PZ -0.00477 -0.02478 -0.01759 0.00800 0.06956 25 4XX 0.01181 0.00669 0.00323 -0.01366 0.00958 26 4YY -0.00250 -0.00149 0.00236 0.00225 -0.00208 27 4ZZ -0.00725 -0.00408 -0.00537 0.00946 -0.00506 28 4XY 0.00319 0.00175 -0.00107 -0.00084 -0.00526 29 4XZ 0.00162 -0.00018 0.00258 -0.00409 0.00501 30 4YZ 0.00352 0.00073 -0.00250 0.00144 -0.00751 31 3 C 1S 0.00001 -0.00002 0.00483 -0.00072 0.00007 32 2S -0.00003 0.00004 -0.01384 0.00373 -0.00016 33 2PX 0.00005 -0.00006 0.03285 -0.07146 -0.00070 34 2PY -0.01500 0.00165 -0.00005 0.00011 0.00728 35 2PZ 0.00010 -0.00021 0.08195 -0.11325 -0.00029 36 3S -0.00002 0.00006 -0.01436 0.00065 -0.00034 37 3PX 0.00002 0.00000 0.00508 -0.00275 -0.00012 38 3PY 0.01074 0.00629 -0.00004 0.00004 0.01238 39 3PZ 0.00006 -0.00004 0.02067 -0.01323 0.00051 40 4XX -0.00001 0.00002 -0.00861 0.01578 0.00017 41 4YY -0.00002 0.00000 -0.00006 0.00385 0.00001 42 4ZZ 0.00003 -0.00002 0.00936 -0.02004 -0.00018 43 4XY 0.00912 0.00345 -0.00001 0.00002 0.00582 44 4XZ 0.00001 0.00000 0.00053 0.00059 0.00000 45 4YZ 0.01719 0.00727 -0.00003 0.00005 0.00599 46 4 O 1S -0.00440 -0.00150 -0.00621 0.00387 0.00227 47 2S 0.00432 0.00459 0.01234 -0.00699 -0.00178 48 2PX 0.17402 0.06330 -0.06128 0.10738 0.07353 49 2PY 0.09797 0.05425 0.03243 -0.00048 0.00173 50 2PZ 0.24705 0.11995 -0.06075 0.16879 0.07663 51 3S 0.03614 -0.00568 0.02746 -0.02273 -0.02542 52 3PX 0.13304 0.04313 -0.04371 0.07761 0.06192 53 3PY 0.06133 0.03925 0.02182 0.00018 0.00655 54 3PZ 0.16752 0.08439 -0.04214 0.12583 0.06777 55 4XX 0.00450 0.00314 -0.00401 0.00662 -0.00118 56 4YY -0.00624 -0.00195 -0.00166 0.00057 0.00068 57 4ZZ -0.00322 -0.00024 0.00221 -0.00374 0.00432 58 4XY -0.00615 -0.00148 0.00085 -0.00286 -0.00251 59 4XZ 0.00109 0.00037 -0.00081 0.00132 -0.00043 60 4YZ -0.01006 -0.00529 0.00312 -0.00634 -0.00291 61 5 H 1S 0.01301 0.01738 -0.03249 0.04370 0.06525 62 2S 0.00234 0.01925 -0.03081 0.03407 0.07048 63 6 H 1S -0.01321 -0.01720 -0.03246 0.04361 -0.06491 64 2S -0.00251 -0.01905 -0.03075 0.03388 -0.06951 65 7 H 1S 0.00006 -0.00017 0.05915 -0.10843 -0.00085 66 2S 0.00006 -0.00022 0.07279 -0.14170 -0.00155 67 8 O 1S 0.00438 0.00154 -0.00621 0.00386 -0.00237 68 2S -0.00427 -0.00466 0.01233 -0.00699 0.00188 69 2PX -0.17430 -0.06309 -0.06101 0.10701 -0.07010 70 2PY 0.09826 0.05460 -0.03251 0.00039 0.00137 71 2PZ -0.24697 -0.11943 -0.06044 0.16819 -0.07259 72 3S -0.03598 0.00553 0.02750 -0.02260 0.02654 73 3PX -0.13322 -0.04299 -0.04349 0.07736 -0.05909 74 3PY 0.06152 0.03948 -0.02188 -0.00022 0.00644 75 3PZ -0.16749 -0.08403 -0.04193 0.12539 -0.06450 76 4XX -0.00451 -0.00312 -0.00400 0.00661 0.00113 77 4YY 0.00626 0.00198 -0.00166 0.00056 -0.00074 78 4ZZ 0.00320 0.00021 0.00220 -0.00374 -0.00436 79 4XY -0.00616 -0.00148 -0.00084 0.00285 -0.00238 80 4XZ -0.00109 -0.00036 -0.00081 0.00131 0.00042 81 4YZ -0.01006 -0.00527 -0.00311 0.00633 -0.00284 82 9 H 1S -0.00007 0.00010 -0.04717 0.08542 0.00086 83 2S -0.00006 0.00011 -0.05044 0.11073 0.00136 84 10 C 1S -0.00475 -0.00272 -0.00197 -0.01118 0.00588 85 2S 0.00544 0.01587 0.00794 0.02342 -0.01956 86 2PX 0.04959 -0.14850 -0.00130 0.19364 -0.12106 87 2PY 0.00478 -0.01705 0.21059 0.00886 0.02898 88 2PZ -0.05550 0.12134 -0.02462 0.20507 -0.15206 89 3S 0.04963 -0.07021 -0.00330 0.05538 0.04911 90 3PX 0.00336 -0.02658 0.00304 0.12762 -0.12198 91 3PY 0.02043 -0.04065 0.07787 -0.00533 0.07363 92 3PZ -0.00518 0.00322 -0.02224 0.13569 -0.09206 93 4XX 0.00024 0.00151 -0.00351 -0.00666 0.01016 94 4YY -0.00208 0.00042 0.00856 0.00363 -0.00345 95 4ZZ 0.00242 -0.00733 -0.00766 0.00067 -0.00533 96 4XY -0.00501 0.01190 0.00294 0.00787 0.00664 97 4XZ -0.00311 0.00451 0.00651 0.00105 -0.00073 98 4YZ 0.00529 -0.00991 -0.00311 0.00357 0.01170 99 11 C 1S -0.01042 -0.00116 0.00074 0.01246 -0.01316 100 2S 0.02693 -0.00317 -0.00768 -0.02320 0.02820 101 2PX -0.08886 0.10029 -0.06170 0.12504 -0.25620 102 2PY 0.05331 -0.02302 -0.18180 -0.07747 0.08078 103 2PZ 0.10143 -0.23177 -0.05644 0.04057 -0.15969 104 3S 0.02191 0.05067 0.02046 -0.06272 0.04090 105 3PX -0.04284 0.04285 -0.02745 0.07272 -0.19388 106 3PY 0.01127 0.02989 -0.04893 -0.05947 0.02245 107 3PZ 0.03848 -0.09627 -0.02327 0.03575 -0.14666 108 4XX -0.00064 0.00142 -0.00776 0.01106 -0.00733 109 4YY -0.00224 0.00266 0.02072 0.00379 -0.00181 110 4ZZ 0.00156 -0.00578 -0.00930 -0.01077 0.00818 111 4XY -0.00277 0.00456 0.00176 0.00378 -0.00203 112 4XZ -0.00614 -0.00380 0.00470 0.00194 0.00289 113 4YZ 0.00325 -0.00689 0.00269 0.00449 -0.00139 114 12 C 1S -0.01000 0.00304 -0.00648 0.00204 -0.00762 115 2S 0.02399 -0.00989 0.01907 -0.00729 0.00957 116 2PX -0.14175 -0.16967 0.00730 -0.05510 0.07897 117 2PY -0.01337 0.00978 0.27373 0.09266 0.01330 118 2PZ -0.17306 0.18133 0.03503 0.01715 0.03477 119 3S 0.05249 -0.02789 0.00786 -0.01562 0.09940 120 3PX -0.07491 -0.08643 0.00309 -0.01740 0.04024 121 3PY -0.01199 -0.00248 0.13289 0.06106 0.01258 122 3PZ -0.06061 0.11410 0.03315 -0.01008 0.01859 123 4XX -0.00130 0.00941 -0.00759 0.00247 -0.00623 124 4YY -0.00038 -0.00084 0.01218 0.00278 -0.00396 125 4ZZ -0.00065 -0.00559 -0.00678 -0.00718 0.00913 126 4XY 0.00983 0.01125 -0.00067 -0.00032 -0.00313 127 4XZ -0.00980 -0.00249 0.00308 -0.00570 0.01272 128 4YZ 0.01005 -0.01133 0.00381 0.00206 -0.00325 129 13 C 1S 0.00999 -0.00301 -0.00650 0.00205 0.00742 130 2S -0.02395 0.00980 0.01914 -0.00735 -0.00909 131 2PX 0.14200 0.16969 0.00778 -0.05491 -0.07881 132 2PY -0.01402 0.01098 -0.27371 -0.09276 0.01312 133 2PZ 0.17319 -0.18142 0.03376 0.01729 -0.03549 134 3S -0.05245 0.02785 0.00799 -0.01553 -0.09872 135 3PX 0.07500 0.08641 0.00330 -0.01724 -0.04001 136 3PY -0.01225 -0.00184 -0.13289 -0.06116 0.01252 137 3PZ 0.06070 -0.11423 0.03254 -0.01019 -0.01916 138 4XX 0.00130 -0.00940 -0.00761 0.00246 0.00616 139 4YY 0.00038 0.00084 0.01219 0.00278 0.00401 140 4ZZ 0.00066 0.00559 -0.00679 -0.00717 -0.00916 141 4XY 0.00981 0.01124 0.00067 0.00034 -0.00311 142 4XZ 0.00984 0.00255 0.00308 -0.00569 -0.01280 143 4YZ 0.01005 -0.01132 -0.00383 -0.00202 -0.00326 144 14 C 1S 0.01045 0.00120 0.00070 0.01250 0.01316 145 2S -0.02700 0.00310 -0.00761 -0.02323 -0.02798 146 2PX 0.08831 -0.10025 -0.06225 0.12499 0.25664 147 2PY 0.05385 -0.02395 0.18183 0.07740 0.08085 148 2PZ -0.10188 0.23184 -0.05518 0.04033 0.16023 149 3S -0.02203 -0.05086 0.02052 -0.06306 -0.04194 150 3PX 0.04254 -0.04290 -0.02764 0.07265 0.19400 151 3PY 0.01143 0.02954 0.04901 0.05959 0.02299 152 3PZ -0.03871 0.09635 -0.02279 0.03563 0.14737 153 4XX 0.00064 -0.00141 -0.00778 0.01108 0.00713 154 4YY 0.00227 -0.00269 0.02072 0.00379 0.00187 155 4ZZ -0.00156 0.00579 -0.00930 -0.01078 -0.00808 156 4XY -0.00278 0.00455 -0.00178 -0.00378 -0.00204 157 4XZ 0.00615 0.00382 0.00469 0.00194 -0.00297 158 4YZ 0.00327 -0.00689 -0.00265 -0.00445 -0.00137 159 15 C 1S 0.00477 0.00273 -0.00195 -0.01122 -0.00593 160 2S -0.00548 -0.01589 0.00788 0.02352 0.01976 161 2PX -0.05009 0.14865 -0.00047 0.19328 0.11828 162 2PY 0.00417 -0.01628 -0.21060 -0.00894 0.02855 163 2PZ 0.05499 -0.12127 -0.02537 0.20524 0.15020 164 3S -0.04964 0.07021 -0.00317 0.05566 -0.04865 165 3PX -0.00367 0.02667 0.00331 0.12740 0.11968 166 3PY 0.02026 -0.04047 -0.07796 0.00520 0.07355 167 3PZ 0.00492 -0.00323 -0.02240 0.13578 0.09078 168 4XX -0.00021 -0.00153 -0.00352 -0.00664 -0.01021 169 4YY 0.00207 -0.00039 0.00855 0.00362 0.00346 170 4ZZ -0.00243 0.00732 -0.00762 0.00065 0.00540 171 4XY -0.00501 0.01191 -0.00291 -0.00791 0.00670 172 4XZ 0.00311 -0.00450 0.00648 0.00104 0.00070 173 4YZ 0.00531 -0.00994 0.00311 -0.00355 0.01178 174 16 H 1S 0.05617 -0.12065 -0.06952 -0.02882 0.02582 175 2S 0.06629 -0.15105 -0.08140 -0.03221 0.05060 176 17 H 1S -0.02680 0.02542 0.15226 0.03725 -0.02175 177 2S -0.04149 0.03552 0.16884 0.04314 -0.05180 178 18 H 1S 0.06152 0.13920 -0.06434 0.01834 -0.06726 179 2S 0.01786 0.12497 -0.06718 0.04699 -0.11819 180 19 H 1S -0.06162 -0.13916 -0.06468 0.01828 0.06717 181 2S -0.01799 -0.12494 -0.06762 0.04703 0.11844 182 20 H 1S 0.02706 -0.02581 0.15222 0.03718 0.02202 183 2S 0.04179 -0.03591 0.16874 0.04302 0.05207 184 21 H 1S -0.05630 0.12082 -0.06905 -0.02900 -0.02586 185 2S -0.06645 0.15124 -0.08083 -0.03241 -0.05063 186 22 H 1S -0.14060 0.00359 -0.03750 -0.04884 0.08641 187 2S -0.14960 -0.00205 -0.04284 -0.04245 0.10142 188 23 H 1S 0.14069 -0.00323 -0.03772 -0.04866 -0.08672 189 2S 0.14969 0.00245 -0.04305 -0.04218 -0.10219 41 42 43 44 45 O V V V V Eigenvalues -- -0.18559 -0.00698 0.01019 0.08378 0.11232 1 1 C 1S -0.01568 -0.01134 -0.05227 0.01391 -0.00955 2 2S 0.02654 0.03711 0.11204 -0.04165 0.00079 3 2PX 0.21938 0.15683 0.23837 -0.01564 0.06802 4 2PY 0.08627 0.03319 0.07446 -0.03087 0.05601 5 2PZ 0.17624 0.09742 0.21038 0.03477 -0.11985 6 3S 0.11610 -0.00440 0.27522 -0.14111 0.29374 7 3PX 0.14267 0.20087 0.31651 -0.07910 0.14900 8 3PY 0.07590 0.00623 0.23626 -0.04991 0.12569 9 3PZ 0.13537 0.07908 0.11761 0.10453 -0.27828 10 4XX 0.00828 -0.00551 -0.00427 0.00188 0.00358 11 4YY -0.00088 0.00101 -0.00408 -0.00078 -0.00562 12 4ZZ -0.01022 -0.00180 -0.00641 0.00346 -0.00125 13 4XY -0.01167 -0.01377 0.01133 0.00153 -0.00285 14 4XZ 0.00276 -0.01147 0.00568 0.00155 -0.00415 15 4YZ -0.01264 -0.01073 0.00810 -0.00259 0.01276 16 2 C 1S -0.01555 -0.01199 0.05198 0.01388 -0.00966 17 2S 0.02621 0.03857 -0.11127 -0.04164 0.00113 18 2PX 0.22060 0.16054 -0.23620 -0.01560 0.06720 19 2PY -0.08637 -0.03447 0.07417 0.03080 -0.05615 20 2PZ 0.17793 0.10072 -0.20915 0.03482 -0.11981 21 3S 0.11560 -0.00127 -0.27446 -0.14060 0.29370 22 3PX 0.14405 0.20526 -0.31364 -0.07928 0.14828 23 3PY -0.07635 -0.00929 0.23628 0.04988 -0.12700 24 3PZ 0.13672 0.08093 -0.11650 0.10461 -0.27861 25 4XX 0.00848 -0.00552 0.00417 0.00188 0.00358 26 4YY -0.00095 0.00093 0.00405 -0.00080 -0.00555 27 4ZZ -0.01026 -0.00186 0.00642 0.00347 -0.00131 28 4XY 0.01157 0.01360 0.01154 -0.00153 0.00289 29 4XZ 0.00286 -0.01135 -0.00582 0.00154 -0.00409 30 4YZ 0.01251 0.01059 0.00822 0.00258 -0.01278 31 3 C 1S -0.00840 0.00000 0.00001 0.05870 0.04877 32 2S 0.02051 0.00330 0.00002 -0.10857 -0.07175 33 2PX 0.07240 0.00107 -0.00002 0.05305 0.05283 34 2PY 0.00005 -0.00039 0.06588 0.00021 -0.00075 35 2PZ 0.02598 -0.02193 -0.00015 -0.19214 -0.16873 36 3S 0.04374 -0.02249 -0.00030 -0.80841 -0.80831 37 3PX 0.01173 0.01857 0.00013 0.17787 0.14553 38 3PY 0.00018 -0.00070 0.11953 0.00058 -0.00186 39 3PZ -0.05634 -0.04081 -0.00022 -0.48232 -0.43507 40 4XX -0.01839 -0.00012 0.00001 0.01075 0.00339 41 4YY -0.00229 -0.00337 -0.00001 0.00118 -0.00217 42 4ZZ 0.01982 0.00331 0.00001 0.00492 0.00639 43 4XY 0.00004 0.00010 -0.01363 -0.00001 0.00005 44 4XZ 0.00044 0.00052 0.00000 0.00824 0.00557 45 4YZ 0.00002 0.00005 -0.00627 0.00000 -0.00006 46 4 O 1S 0.00601 -0.00585 0.01753 0.01155 -0.00925 47 2S -0.00551 0.00853 -0.04324 -0.03194 0.01021 48 2PX -0.18522 -0.01513 -0.12507 -0.01591 0.06012 49 2PY -0.02644 -0.01484 0.01591 0.01249 -0.02742 50 2PZ -0.21651 -0.08004 -0.08242 0.00357 -0.00474 51 3S -0.06543 0.07447 -0.11149 -0.11299 0.12327 52 3PX -0.15567 -0.00434 -0.10850 -0.03679 0.06983 53 3PY -0.01168 -0.02614 0.00814 0.07042 -0.05184 54 3PZ -0.17739 -0.09713 -0.09588 0.04667 0.02255 55 4XX 0.00409 0.00177 0.01485 -0.00272 -0.00467 56 4YY 0.00348 -0.00088 -0.00164 -0.00301 -0.00385 57 4ZZ 0.00108 -0.00587 -0.00727 -0.00046 -0.00329 58 4XY 0.00703 -0.00055 0.00326 0.00058 0.00353 59 4XZ 0.00027 -0.00119 -0.00157 0.01157 0.00509 60 4YZ 0.00292 -0.00123 0.00245 0.00326 0.00295 61 5 H 1S -0.00933 0.02462 -0.06317 0.00918 -0.03347 62 2S -0.03967 0.06222 -0.35354 0.28058 -0.60335 63 6 H 1S -0.01037 0.02367 0.06331 0.00915 -0.03371 64 2S -0.04072 0.05746 0.35392 0.28051 -0.60501 65 7 H 1S 0.08856 0.01615 0.00009 0.02913 0.04102 66 2S 0.16268 0.08581 0.00070 0.84971 0.84376 67 8 O 1S 0.00596 -0.00563 -0.01761 0.01155 -0.00889 68 2S -0.00546 0.00795 0.04335 -0.03191 0.00963 69 2PX -0.18638 -0.01714 0.12498 -0.01593 0.06035 70 2PY 0.02682 0.01480 0.01600 -0.01249 0.02696 71 2PZ -0.21767 -0.08141 0.08152 0.00351 -0.00499 72 3S -0.06501 0.07318 0.11263 -0.11305 0.11932 73 3PX -0.15670 -0.00607 0.10861 -0.03686 0.07027 74 3PY 0.01207 0.02627 0.00837 -0.07050 0.05078 75 3PZ -0.17844 -0.09865 0.09470 0.04655 0.02208 76 4XX 0.00412 0.00198 -0.01483 -0.00271 -0.00453 77 4YY 0.00348 -0.00091 0.00162 -0.00299 -0.00380 78 4ZZ 0.00100 -0.00599 0.00721 -0.00046 -0.00315 79 4XY -0.00707 0.00050 0.00326 -0.00060 -0.00354 80 4XZ 0.00027 -0.00121 0.00156 0.01157 0.00503 81 4YZ -0.00295 0.00121 0.00246 -0.00326 -0.00296 82 9 H 1S -0.09040 -0.00387 0.00000 0.03350 0.02902 83 2S -0.14839 -0.00365 0.00006 0.46160 0.43009 84 10 C 1S 0.00200 -0.00463 0.00657 0.02285 -0.02048 85 2S -0.01005 0.00473 -0.01370 -0.05095 0.02323 86 2PX 0.15235 -0.11914 -0.20430 -0.04002 0.07632 87 2PY -0.02304 0.03529 0.00609 0.03599 -0.05703 88 2PZ 0.11109 -0.10209 -0.15847 0.02650 -0.09760 89 3S -0.02395 0.03335 0.00436 -0.24376 0.42103 90 3PX 0.12781 -0.17085 -0.30162 -0.08837 0.15541 91 3PY -0.00637 0.02109 0.06013 0.06185 -0.11735 92 3PZ 0.08322 -0.14889 -0.17153 0.09401 -0.19309 93 4XX 0.00261 -0.01610 -0.00003 -0.00056 0.00123 94 4YY -0.00192 0.00378 0.00177 -0.00388 -0.00096 95 4ZZ -0.00273 0.00939 0.00085 0.00529 -0.00297 96 4XY 0.00503 -0.00838 0.01068 -0.00492 0.00731 97 4XZ 0.00084 0.00541 -0.00094 -0.00230 0.00122 98 4YZ 0.00569 -0.01380 0.00894 0.00595 -0.00807 99 11 C 1S 0.00459 0.02869 -0.00858 0.02362 -0.04190 100 2S -0.02193 -0.05192 0.04344 -0.04898 0.06233 101 2PX -0.03930 0.29309 -0.00559 0.00137 -0.03396 102 2PY 0.00710 -0.09330 0.01608 0.07474 -0.08526 103 2PZ -0.02700 0.18161 -0.01030 0.00276 -0.01104 104 3S 0.04352 -0.21235 -0.08756 -0.26231 0.59819 105 3PX -0.01704 0.37290 0.00166 -0.00382 -0.12853 106 3PY 0.03929 -0.10292 -0.02789 0.16936 -0.23963 107 3PZ -0.04599 0.21559 -0.03550 0.04913 0.06905 108 4XX 0.01118 -0.00006 -0.01991 -0.00063 -0.00326 109 4YY -0.00296 0.00191 0.00423 0.00823 -0.00911 110 4ZZ -0.00563 0.00736 0.01359 -0.00330 0.00292 111 4XY -0.00116 -0.00501 0.00000 0.00250 -0.00054 112 4XZ 0.00524 0.00390 -0.00874 0.00656 0.00082 113 4YZ 0.00006 -0.00468 0.00022 0.00385 0.00171 114 12 C 1S 0.01149 -0.01401 -0.01553 0.05242 0.00924 115 2S -0.02694 0.02537 0.03250 -0.07735 -0.00302 116 2PX -0.00676 0.01011 0.02065 0.09422 0.10187 117 2PY -0.00750 0.01813 -0.02705 0.05160 0.02541 118 2PZ 0.04322 -0.02584 -0.05427 -0.08088 0.00531 119 3S -0.03811 0.12905 0.14474 -0.73848 -0.26555 120 3PX -0.01301 0.01185 0.05410 0.18146 0.21131 121 3PY -0.00252 -0.01316 -0.04797 0.19730 0.15854 122 3PZ 0.03384 -0.01938 -0.04204 -0.16062 0.07315 123 4XX 0.00177 0.00654 -0.00238 0.01073 0.00045 124 4YY -0.00258 0.00564 0.00085 -0.00367 -0.00068 125 4ZZ 0.00276 -0.01497 0.00064 0.00226 -0.00185 126 4XY -0.00042 -0.00585 -0.00105 0.00322 0.00055 127 4XZ 0.00404 -0.01387 -0.00256 -0.00026 -0.00081 128 4YZ -0.00102 0.00202 0.00228 -0.00682 0.00837 129 13 C 1S 0.01164 -0.01421 0.01532 0.05242 0.00914 130 2S -0.02713 0.02581 -0.03211 -0.07737 -0.00297 131 2PX -0.00806 0.01045 -0.02035 0.09417 0.10176 132 2PY 0.00762 -0.01767 -0.02746 -0.05147 -0.02517 133 2PZ 0.04283 -0.02673 0.05399 -0.08105 0.00519 134 3S -0.04016 0.13079 -0.14289 -0.73824 -0.26379 135 3PX -0.01371 0.01261 -0.05363 0.18147 0.21119 136 3PY 0.00271 0.01388 -0.04796 -0.19719 -0.15815 137 3PZ 0.03364 -0.02032 0.04190 -0.16150 0.07231 138 4XX 0.00189 0.00646 0.00249 0.01073 0.00045 139 4YY -0.00252 0.00567 -0.00077 -0.00370 -0.00065 140 4ZZ 0.00259 -0.01493 -0.00087 0.00229 -0.00190 141 4XY 0.00037 0.00589 -0.00097 -0.00322 -0.00054 142 4XZ 0.00382 -0.01389 0.00232 -0.00026 -0.00083 143 4YZ 0.00097 -0.00203 0.00224 0.00681 -0.00837 144 14 C 1S 0.00485 0.02867 0.00902 0.02361 -0.04187 145 2S -0.02250 -0.05143 -0.04420 -0.04889 0.06228 146 2PX -0.03482 0.29260 0.00983 0.00123 -0.03358 147 2PY -0.00567 0.09296 0.01747 -0.07479 0.08545 148 2PZ -0.02428 0.18147 0.01306 0.00250 -0.01060 149 3S 0.04298 -0.21459 0.08420 -0.26277 0.59775 150 3PX -0.01332 0.37254 0.00418 -0.00411 -0.12764 151 3PY -0.03909 0.10329 -0.02623 -0.16916 0.24008 152 3PZ -0.04348 0.21513 0.03909 0.04857 0.06950 153 4XX 0.01134 -0.00031 0.01995 -0.00061 -0.00327 154 4YY -0.00293 0.00198 -0.00423 0.00824 -0.00911 155 4ZZ -0.00578 0.00756 -0.01347 -0.00333 0.00294 156 4XY 0.00114 0.00500 0.00009 -0.00253 0.00057 157 4XZ 0.00522 0.00379 0.00883 0.00655 0.00085 158 4YZ -0.00006 0.00467 0.00032 -0.00383 -0.00171 159 15 C 1S 0.00189 -0.00456 -0.00667 0.02283 -0.02043 160 2S -0.00964 0.00457 0.01382 -0.05093 0.02310 161 2PX 0.15460 -0.12171 0.20255 -0.03982 0.07612 162 2PY 0.02355 -0.03533 0.00562 -0.03603 0.05723 163 2PZ 0.11397 -0.10415 0.15706 0.02658 -0.09759 164 3S -0.02523 0.03368 -0.00343 -0.24315 0.42070 165 3PX 0.13037 -0.17459 0.29897 -0.08818 0.15474 166 3PY 0.00783 -0.02187 0.06001 -0.06211 0.11742 167 3PZ 0.08484 -0.15090 0.16943 0.09436 -0.19313 168 4XX 0.00243 -0.01610 -0.00024 -0.00056 0.00122 169 4YY -0.00185 0.00377 -0.00172 -0.00385 -0.00098 170 4ZZ -0.00265 0.00943 -0.00068 0.00527 -0.00294 171 4XY -0.00490 0.00821 0.01080 0.00494 -0.00732 172 4XZ 0.00086 0.00538 0.00104 -0.00229 0.00122 173 4YZ -0.00548 0.01367 0.00914 -0.00596 0.00807 174 16 H 1S 0.00364 -0.02140 0.01075 0.02993 -0.02734 175 2S 0.00449 -0.06295 0.06694 0.37801 -0.61095 176 17 H 1S -0.01320 0.01321 0.01339 0.02887 -0.02883 177 2S -0.00736 0.05533 0.01314 0.42879 -0.62072 178 18 H 1S -0.00281 0.02846 -0.00525 0.03639 0.00733 179 2S -0.02661 0.04318 -0.00599 0.67008 0.35041 180 19 H 1S -0.00162 0.02825 0.00575 0.03637 0.00737 181 2S -0.02443 0.04305 0.00705 0.67029 0.34952 182 20 H 1S -0.01287 0.01348 -0.01330 0.02887 -0.02889 183 2S -0.00642 0.05575 -0.01271 0.42863 -0.62118 184 21 H 1S 0.00316 -0.02122 -0.01108 0.02991 -0.02737 185 2S 0.00345 -0.06200 -0.06809 0.37794 -0.61051 186 22 H 1S 0.02036 -0.06084 -0.01334 0.01245 -0.01623 187 2S 0.05070 -0.19991 -0.10003 0.34448 -0.17616 188 23 H 1S 0.01893 -0.06091 0.01234 0.01249 -0.01636 189 2S 0.04906 -0.20086 0.09650 0.34464 -0.17685 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12248 0.12316 0.13517 0.14425 1 1 C 1S -0.04796 0.00491 0.00401 0.02431 0.04040 2 2S 0.10840 -0.00122 -0.02671 -0.02947 -0.08354 3 2PX 0.06083 -0.25451 -0.05578 -0.06618 0.11924 4 2PY 0.09216 0.04968 -0.01078 -0.09799 -0.05146 5 2PZ 0.10902 -0.05489 0.08230 0.17949 -0.10529 6 3S 0.37770 -0.13764 -0.06823 -0.53951 -0.47098 7 3PX 0.18671 -0.44653 -0.13467 -0.22662 0.28760 8 3PY 0.15636 0.23045 -0.04988 -0.24427 -0.21800 9 3PZ -0.02153 -0.06527 0.19400 0.38863 -0.20389 10 4XX -0.00751 0.00229 -0.00630 0.00002 0.00838 11 4YY 0.00149 0.00780 -0.00067 0.00531 -0.01140 12 4ZZ -0.00681 -0.00130 0.00661 0.00095 0.00474 13 4XY -0.00017 -0.01170 0.00464 0.01084 -0.01370 14 4XZ 0.00114 0.00927 0.00735 -0.00080 -0.01368 15 4YZ 0.00259 -0.00046 -0.01330 -0.01508 0.01043 16 2 C 1S 0.04789 -0.00470 0.00467 0.02441 0.04000 17 2S -0.10809 -0.00020 -0.02769 -0.02962 -0.08312 18 2PX -0.06009 0.25059 -0.07015 -0.06650 0.11882 19 2PY 0.09229 0.05003 0.00870 0.09748 0.05139 20 2PZ -0.10936 0.05931 0.07794 0.18001 -0.10653 21 3S -0.37735 0.13426 -0.07844 -0.54105 -0.46280 22 3PX -0.18512 0.43761 -0.16054 -0.22830 0.28799 23 3PY 0.15621 0.23231 0.03792 0.24308 0.21974 24 3PZ 0.02044 0.07592 0.18927 0.39014 -0.20870 25 4XX 0.00754 -0.00259 -0.00612 0.00003 0.00829 26 4YY -0.00150 -0.00781 -0.00032 0.00529 -0.01142 27 4ZZ 0.00676 0.00164 0.00663 0.00099 0.00471 28 4XY -0.00010 -0.01200 -0.00400 -0.01081 0.01374 29 4XZ -0.00127 -0.00886 0.00783 -0.00083 -0.01363 30 4YZ 0.00249 0.00023 0.01332 0.01507 -0.01039 31 3 C 1S 0.00007 0.00040 0.00920 0.05795 0.06461 32 2S 0.00001 -0.00138 -0.04195 -0.09734 -0.09105 33 2PX -0.00037 0.00222 0.09011 0.07808 0.24174 34 2PY 0.22826 0.34637 -0.00844 -0.00052 0.00021 35 2PZ -0.00003 0.00094 0.03450 0.03547 0.13735 36 3S -0.00122 -0.00456 -0.08838 -0.79212 -0.99122 37 3PX -0.00136 0.00844 0.33385 0.13275 0.61774 38 3PY 0.62492 0.88973 -0.02146 -0.00139 0.00065 39 3PZ 0.00003 0.00191 0.07162 0.07109 0.31627 40 4XX -0.00001 0.00012 0.00473 0.00394 0.01355 41 4YY -0.00002 0.00002 0.00131 0.00812 -0.00621 42 4ZZ 0.00004 -0.00005 -0.00352 0.00275 0.00523 43 4XY -0.01713 -0.01392 0.00030 0.00002 0.00001 44 4XZ -0.00004 0.00010 0.00444 -0.00494 -0.00597 45 4YZ 0.01048 0.02308 -0.00058 -0.00002 -0.00002 46 4 O 1S 0.04216 0.06585 0.01700 0.00207 -0.04978 47 2S -0.06929 -0.08930 -0.03062 -0.01858 0.07540 48 2PX 0.00225 0.09234 -0.07984 -0.07952 0.09373 49 2PY 0.07117 0.08688 0.04723 -0.00020 -0.07180 50 2PZ -0.07569 -0.04126 0.01191 0.03774 -0.10752 51 3S -0.44508 -0.82037 -0.21643 -0.00076 0.59717 52 3PX 0.05197 0.12840 -0.12910 -0.14108 0.12555 53 3PY 0.13368 0.21953 0.10080 0.01994 -0.15222 54 3PZ -0.13517 -0.06262 0.01558 0.05147 -0.20037 55 4XX 0.02416 0.02296 0.00526 -0.00593 -0.02159 56 4YY 0.00310 0.01305 -0.00034 -0.00298 -0.01105 57 4ZZ 0.01335 0.03619 0.00482 -0.00768 -0.01767 58 4XY -0.00076 0.00027 -0.00396 -0.00726 -0.00873 59 4XZ -0.00910 -0.00766 0.00555 0.00309 0.00243 60 4YZ 0.00293 0.00170 -0.00262 0.00064 -0.00281 61 5 H 1S -0.04698 -0.03116 0.03888 0.05621 -0.00901 62 2S -0.41399 -0.10867 0.35620 0.94645 0.08750 63 6 H 1S 0.04670 0.03341 0.03748 0.05614 -0.00890 64 2S 0.41189 0.12668 0.35215 0.94814 0.08015 65 7 H 1S 0.00011 -0.00031 -0.01378 0.00903 0.02091 66 2S 0.00174 -0.00208 -0.15951 0.24456 -0.09552 67 8 O 1S -0.04237 -0.06482 0.02017 0.00226 -0.04990 68 2S 0.06962 0.08744 -0.03481 -0.01878 0.07554 69 2PX -0.00164 -0.09684 -0.07459 -0.07927 0.09366 70 2PY 0.07162 0.08430 -0.05130 0.00001 0.07173 71 2PZ 0.07566 0.04244 0.01026 0.03732 -0.10659 72 3S 0.44782 0.80745 -0.25661 -0.00347 0.59912 73 3PX -0.05097 -0.13575 -0.12213 -0.14077 0.12569 74 3PY 0.13459 0.21396 -0.11141 -0.02074 0.15284 75 3PZ 0.13525 0.06459 0.01326 0.05099 -0.19907 76 4XX -0.02423 -0.02265 0.00628 -0.00584 -0.02162 77 4YY -0.00313 -0.01306 0.00033 -0.00291 -0.01113 78 4ZZ -0.01344 -0.03589 0.00667 -0.00760 -0.01768 79 4XY -0.00080 0.00045 0.00393 0.00724 0.00875 80 4XZ 0.00906 0.00796 0.00521 0.00310 0.00241 81 4YZ 0.00293 0.00186 0.00254 -0.00064 0.00284 82 9 H 1S -0.00003 0.00034 0.01439 0.00763 0.07889 83 2S -0.00106 0.01260 0.46008 0.59994 1.41894 84 10 C 1S -0.01458 0.01240 -0.03585 -0.01151 0.01712 85 2S 0.02908 -0.03551 0.05405 0.02272 -0.04574 86 2PX 0.20623 -0.06322 0.04076 0.04240 0.01119 87 2PY 0.01548 -0.01369 -0.04932 -0.01754 0.02850 88 2PZ 0.17869 -0.06886 -0.10076 0.00501 0.07734 89 3S 0.08221 -0.06041 0.55185 0.13648 -0.28236 90 3PX 0.36919 -0.17022 0.10214 0.06036 -0.03928 91 3PY -0.00866 0.03022 -0.19898 -0.03558 0.12885 92 3PZ 0.25939 -0.10066 -0.20852 -0.02203 0.10415 93 4XX 0.00913 -0.00581 -0.00652 -0.00171 0.00608 94 4YY -0.00706 0.00504 0.00440 0.00138 -0.00417 95 4ZZ -0.00667 0.00204 -0.00552 -0.00080 -0.00411 96 4XY -0.00975 0.00328 0.00591 0.00813 -0.00192 97 4XZ -0.00166 0.00412 0.00379 0.00212 0.00251 98 4YZ -0.00494 0.00040 -0.00980 0.00140 0.00319 99 11 C 1S -0.01239 0.01036 0.00368 -0.00793 -0.01032 100 2S 0.02188 -0.01840 -0.01637 0.02423 0.01509 101 2PX -0.20674 0.13248 0.04017 -0.02630 -0.03343 102 2PY 0.06504 -0.07702 -0.06145 -0.02490 0.00111 103 2PZ -0.09806 0.06674 -0.02344 -0.02577 0.01715 104 3S 0.13102 -0.08959 -0.00212 0.04108 0.14830 105 3PX -0.26597 0.25827 0.07029 -0.11179 0.05412 106 3PY 0.14021 -0.21775 -0.13178 -0.09243 -0.02362 107 3PZ -0.14773 0.01055 0.04784 -0.18941 -0.00203 108 4XX 0.00750 -0.00118 0.00527 -0.00037 -0.00389 109 4YY 0.00259 -0.00300 -0.00856 -0.00710 0.00506 110 4ZZ -0.01372 0.00794 0.00130 0.00659 -0.00246 111 4XY 0.00791 -0.00743 -0.01032 0.00576 -0.00284 112 4XZ -0.00238 0.00411 -0.00499 -0.00069 -0.00052 113 4YZ 0.00727 -0.00379 0.00086 0.00432 -0.00349 114 12 C 1S -0.00834 -0.02029 0.01922 -0.03948 -0.00572 115 2S 0.00755 0.00448 -0.01728 0.04344 0.00163 116 2PX -0.04462 -0.02928 -0.11867 0.11356 -0.09461 117 2PY 0.05801 -0.05224 0.02762 -0.06765 -0.01973 118 2PZ 0.02659 0.00802 -0.14070 0.08802 0.01785 119 3S 0.13233 0.43594 -0.41206 0.70418 0.14879 120 3PX -0.14747 -0.09384 -0.33953 0.30811 -0.28171 121 3PY 0.15391 -0.09659 0.14093 -0.19247 -0.03899 122 3PZ 0.04854 -0.02203 -0.36360 0.20475 0.03968 123 4XX -0.00363 0.00013 0.00590 -0.00340 -0.00487 124 4YY -0.00717 0.00136 0.00088 -0.00205 -0.00166 125 4ZZ 0.00924 -0.00881 -0.00191 -0.00286 0.00395 126 4XY 0.00512 -0.00151 -0.01135 0.00253 -0.00577 127 4XZ 0.00811 -0.00705 0.01302 0.00043 -0.00028 128 4YZ -0.00191 0.00056 -0.00401 0.00403 0.00053 129 13 C 1S 0.00814 0.02130 0.01817 -0.03960 -0.00557 130 2S -0.00730 -0.00537 -0.01702 0.04337 0.00184 131 2PX 0.04590 0.02352 -0.11989 0.11329 -0.09412 132 2PY 0.05830 -0.05361 -0.02412 0.06767 0.01864 133 2PZ -0.02550 -0.01544 -0.14027 0.08827 0.01723 134 3S -0.12879 -0.45789 -0.38950 0.70756 0.14338 135 3PX 0.15086 0.07724 -0.34366 0.30740 -0.28013 136 3PY 0.15518 -0.10450 -0.13326 0.19153 0.03937 137 3PZ -0.04534 0.00304 -0.36425 0.20440 0.03897 138 4XX 0.00356 0.00020 0.00594 -0.00343 -0.00479 139 4YY 0.00719 -0.00132 0.00101 -0.00205 -0.00174 140 4ZZ -0.00924 0.00869 -0.00246 -0.00288 0.00403 141 4XY 0.00503 -0.00092 0.01143 -0.00253 0.00577 142 4XZ -0.00822 0.00776 0.01257 0.00044 -0.00029 143 4YZ -0.00192 0.00071 0.00397 -0.00403 -0.00053 144 14 C 1S 0.01244 -0.01046 0.00445 -0.00809 -0.00980 145 2S -0.02186 0.01800 -0.01771 0.02454 0.01431 146 2PX 0.20663 -0.13050 0.04899 -0.02653 -0.03288 147 2PY 0.06463 -0.07316 0.06599 0.02557 -0.00378 148 2PZ 0.09838 -0.06823 -0.01889 -0.02588 0.01748 149 3S -0.13154 0.09340 -0.00891 0.04330 0.13825 150 3PX 0.26548 -0.25534 0.08655 -0.11189 0.05499 151 3PY 0.13921 -0.20918 0.14358 0.09546 0.01566 152 3PZ 0.14771 -0.00854 0.04970 -0.18984 -0.00168 153 4XX -0.00752 0.00144 0.00514 -0.00037 -0.00385 154 4YY -0.00255 0.00247 -0.00871 -0.00710 0.00509 155 4ZZ 0.01375 -0.00785 0.00184 0.00655 -0.00244 156 4XY 0.00781 -0.00689 0.01080 -0.00572 0.00281 157 4XZ 0.00244 -0.00441 -0.00474 -0.00070 -0.00044 158 4YZ 0.00723 -0.00384 -0.00063 -0.00433 0.00344 159 15 C 1S 0.01485 -0.01446 -0.03501 -0.01153 0.01738 160 2S -0.02950 0.03863 0.05183 0.02269 -0.04612 161 2PX -0.20631 0.06564 0.03548 0.04263 0.01066 162 2PY 0.01520 -0.01065 0.05030 0.01773 -0.02947 163 2PZ -0.17799 0.06274 -0.10557 0.00495 0.07817 164 3S -0.08600 0.09260 0.54615 0.13805 -0.28927 165 3PX -0.36961 0.17627 0.08959 0.06061 -0.04151 166 3PY -0.01001 0.04169 0.19776 0.03477 -0.12795 167 3PZ -0.25826 0.08835 -0.21542 -0.02198 0.10687 168 4XX -0.00907 0.00545 -0.00690 -0.00169 0.00609 169 4YY 0.00702 -0.00479 0.00467 0.00141 -0.00428 170 4ZZ 0.00671 -0.00235 -0.00532 -0.00082 -0.00407 171 4XY -0.00975 0.00293 -0.00618 -0.00813 0.00193 172 4XZ 0.00163 -0.00390 0.00402 0.00210 0.00252 173 4YZ -0.00500 0.00095 0.00974 -0.00139 -0.00318 174 16 H 1S -0.01539 -0.00782 -0.05037 -0.02522 0.00280 175 2S -0.04016 0.02619 -0.71106 -0.19417 0.35196 176 17 H 1S 0.01979 -0.01805 -0.02596 -0.02464 0.01494 177 2S 0.09724 -0.20674 -0.19259 -0.21892 -0.06021 178 18 H 1S -0.02390 0.01323 -0.03298 0.00357 -0.02972 179 2S -0.18775 -0.24581 -0.17954 -0.04860 -0.45419 180 19 H 1S 0.02417 -0.01493 -0.03203 0.00350 -0.02949 181 2S 0.18996 0.23769 -0.19133 -0.05052 -0.45006 182 20 H 1S -0.01957 0.01636 -0.02702 -0.02472 0.01527 183 2S -0.09573 0.19205 -0.20291 -0.22300 -0.04582 184 21 H 1S 0.01571 0.00496 -0.05063 -0.02521 0.00287 185 2S 0.04468 -0.06805 -0.70800 -0.19480 0.35863 186 22 H 1S 0.04412 -0.03691 0.06466 -0.02407 0.01626 187 2S 0.18939 -0.18656 0.88879 -0.81895 0.17422 188 23 H 1S -0.04468 0.04024 0.06223 -0.02403 0.01625 189 2S -0.19764 0.23187 0.87607 -0.81909 0.17615 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17145 0.17765 0.19270 1 1 C 1S 0.03231 -0.05604 -0.00414 0.01471 0.06498 2 2S -0.03661 0.09075 0.02001 -0.01510 -0.09287 3 2PX 0.05837 -0.06286 -0.05484 -0.02270 0.02909 4 2PY -0.01590 0.12477 0.02488 0.03162 -0.01179 5 2PZ 0.13388 0.01326 0.08435 0.07698 0.20257 6 3S -0.63997 0.90720 -0.10909 -0.25949 -1.08740 7 3PX -0.00823 -0.24323 -0.12463 -0.14304 -0.17518 8 3PY 0.04471 0.44200 -0.09552 -0.02114 -0.01221 9 3PZ 0.45963 0.03626 0.16469 0.30108 0.68652 10 4XX 0.00602 -0.00893 -0.00391 0.00027 0.00874 11 4YY 0.00417 0.00895 -0.00007 0.01064 0.01361 12 4ZZ -0.00080 -0.00116 0.00301 -0.00263 -0.00175 13 4XY 0.00239 0.00445 0.00852 -0.00279 0.00028 14 4XZ -0.00450 0.01416 0.00531 -0.00132 -0.00700 15 4YZ 0.00603 -0.01153 -0.00978 0.00387 0.01067 16 2 C 1S -0.03279 -0.05607 -0.00413 -0.01465 -0.06486 17 2S 0.03763 0.09088 0.01994 0.01500 0.09260 18 2PX -0.05978 -0.06259 -0.05502 0.02303 -0.02852 19 2PY -0.01622 -0.12461 -0.02499 0.03181 -0.01130 20 2PZ -0.13198 0.01279 0.08395 -0.07713 -0.20234 21 3S 0.64506 0.90712 -0.10914 0.25878 1.08537 22 3PX 0.00450 -0.24182 -0.12489 0.14406 0.17643 23 3PY 0.04301 -0.44305 0.09465 -0.02025 -0.01004 24 3PZ -0.45572 0.03484 0.16360 -0.30159 -0.68628 25 4XX -0.00613 -0.00892 -0.00390 -0.00025 -0.00873 26 4YY -0.00403 0.00889 -0.00011 -0.01068 -0.01368 27 4ZZ 0.00076 -0.00111 0.00305 0.00264 0.00180 28 4XY 0.00221 -0.00451 -0.00854 -0.00276 0.00031 29 4XZ 0.00468 0.01417 0.00531 0.00127 0.00698 30 4YZ 0.00621 0.01155 0.00978 0.00381 0.01062 31 3 C 1S -0.00035 -0.01528 0.03925 0.00003 -0.00006 32 2S 0.00047 0.02416 -0.06071 -0.00005 0.00006 33 2PX -0.00122 0.32147 -0.16682 -0.00006 -0.00013 34 2PY 0.00269 0.00018 0.00004 0.14837 0.09943 35 2PZ -0.00085 0.03862 -0.04030 0.00028 -0.00008 36 3S 0.00524 -0.02674 -0.49154 -0.00025 0.00099 37 3PX -0.00316 0.87061 -0.49189 -0.00017 -0.00011 38 3PY 0.00451 0.00051 -0.00019 0.27937 0.20305 39 3PZ -0.00214 0.03087 -0.04350 0.00053 -0.00058 40 4XX -0.00008 0.00020 -0.00486 0.00001 0.00001 41 4YY 0.00005 0.00357 0.01187 -0.00002 -0.00002 42 4ZZ -0.00004 -0.00502 -0.00248 0.00001 0.00001 43 4XY 0.00082 -0.00003 0.00000 -0.01056 -0.00499 44 4XZ 0.00004 0.01428 -0.00539 -0.00002 0.00000 45 4YZ -0.00494 0.00002 0.00001 0.00687 -0.00108 46 4 O 1S 0.00192 0.05758 -0.00664 0.01637 0.01095 47 2S 0.00039 -0.07982 0.00192 -0.00458 -0.00172 48 2PX -0.01587 -0.12680 -0.05163 0.04758 0.02965 49 2PY -0.03256 0.10928 -0.03797 0.04548 -0.01490 50 2PZ -0.05267 0.05963 0.08773 -0.00979 -0.07363 51 3S -0.05472 -0.77027 0.12892 -0.29121 -0.22634 52 3PX -0.04513 -0.28574 -0.07381 0.02582 -0.00270 53 3PY -0.00681 0.23069 -0.10409 0.08153 0.04568 54 3PZ -0.06894 0.10999 0.13185 -0.04129 -0.11113 55 4XX 0.00054 0.01878 0.00123 0.01398 0.00844 56 4YY 0.00375 0.01344 -0.00496 0.00845 0.00864 57 4ZZ -0.00368 0.02487 -0.00495 0.00868 -0.00016 58 4XY 0.00263 0.00366 -0.00284 0.00136 0.00432 59 4XZ 0.00418 0.00495 -0.00569 -0.00708 0.00281 60 4YZ 0.00055 -0.00853 0.00258 -0.00566 -0.00324 61 5 H 1S -0.00133 -0.00532 0.04191 -0.00123 0.01936 62 2S 0.66040 -0.65926 0.32115 0.36235 1.14885 63 6 H 1S 0.00146 -0.00540 0.04187 0.00111 -0.01957 64 2S -0.65929 -0.66067 0.31997 -0.36272 -1.14720 65 7 H 1S -0.00011 -0.02512 -0.00111 0.00002 0.00007 66 2S 0.00098 -0.41310 0.49970 -0.00016 0.00055 67 8 O 1S -0.00125 0.05752 -0.00664 -0.01649 -0.01099 68 2S -0.00147 -0.07983 0.00187 0.00474 0.00176 69 2PX 0.01453 -0.12680 -0.05156 -0.04741 -0.02926 70 2PY -0.03368 -0.10929 0.03785 0.04573 -0.01515 71 2PZ 0.05406 0.05947 0.08775 0.00961 0.07334 72 3S 0.04669 -0.76920 0.12892 0.29277 0.22681 73 3PX 0.04318 -0.28563 -0.07358 -0.02544 0.00353 74 3PY -0.00916 -0.23058 0.10383 0.08203 0.04518 75 3PZ 0.07146 0.10970 0.13205 0.04097 0.11058 76 4XX -0.00028 0.01873 0.00121 -0.01402 -0.00845 77 4YY -0.00362 0.01337 -0.00495 -0.00846 -0.00865 78 4ZZ 0.00389 0.02486 -0.00495 -0.00874 0.00013 79 4XY 0.00254 -0.00366 0.00286 0.00136 0.00432 80 4XZ -0.00419 0.00496 -0.00567 0.00709 -0.00277 81 4YZ 0.00051 0.00849 -0.00260 -0.00567 -0.00326 82 9 H 1S -0.00046 0.01459 -0.03335 0.00002 0.00001 83 2S -0.00755 1.06636 -0.40303 0.00014 -0.00080 84 10 C 1S -0.02434 0.01343 0.03539 -0.04227 0.05794 85 2S 0.03820 0.03148 -0.03288 0.06381 -0.07422 86 2PX 0.06619 -0.07773 -0.04047 -0.02958 -0.07375 87 2PY -0.06672 0.04464 0.08612 0.01230 0.06297 88 2PZ -0.06173 0.00056 0.03387 -0.05974 0.06887 89 3S 0.59015 -0.40561 -0.73645 0.58893 -0.87157 90 3PX 0.25339 -0.05618 -0.05168 0.06329 -0.24397 91 3PY 0.06246 0.14061 0.35784 -0.05299 0.20115 92 3PZ -0.23391 0.02501 0.02676 -0.27866 0.43131 93 4XX -0.00011 -0.00261 -0.00018 0.00112 0.00856 94 4YY 0.00809 0.00631 -0.00049 -0.01160 0.00478 95 4ZZ -0.00480 0.00782 0.00683 0.00001 0.00217 96 4XY -0.00075 -0.00554 -0.00138 0.00029 0.00199 97 4XZ -0.00007 -0.00677 -0.00325 -0.00108 -0.00453 98 4YZ 0.00102 -0.00218 -0.00822 0.00325 -0.00261 99 11 C 1S -0.04497 -0.01270 -0.08279 0.00575 -0.01575 100 2S 0.06338 0.01535 0.10005 -0.03034 0.05210 101 2PX -0.07377 0.05069 0.02160 -0.03493 -0.00222 102 2PY -0.20026 -0.00271 -0.07369 0.05771 0.07587 103 2PZ -0.04266 0.03326 0.10824 0.03264 -0.03257 104 3S 0.86502 0.25026 1.44169 0.00661 -0.00435 105 3PX -0.12940 0.09729 0.09320 -0.07828 0.09250 106 3PY -0.60162 0.06321 -0.25377 0.33120 0.02663 107 3PZ -0.00982 0.04845 0.22269 0.37001 -0.04490 108 4XX -0.00485 0.00114 -0.00528 -0.00107 -0.00505 109 4YY -0.00189 0.00044 -0.00064 -0.00264 0.01113 110 4ZZ -0.00169 -0.00449 -0.01048 0.00255 -0.00736 111 4XY -0.00118 0.00340 -0.00075 0.00455 -0.00476 112 4XZ -0.00651 0.00020 0.00084 -0.00030 0.00377 113 4YZ -0.00440 -0.00438 -0.00510 -0.01351 0.00340 114 12 C 1S -0.00355 -0.00209 0.03770 0.11463 -0.00889 115 2S -0.02166 -0.01221 -0.03731 -0.09200 -0.00016 116 2PX -0.03170 0.01435 -0.09152 0.00521 -0.01478 117 2PY -0.07354 -0.00875 0.04081 -0.04676 0.09710 118 2PZ 0.05416 0.08216 0.06539 -0.10621 0.01356 119 3S 0.25135 0.12541 -0.62915 -2.23033 0.21201 120 3PX -0.11431 -0.05131 -0.31225 -0.07366 -0.16602 121 3PY 0.05542 -0.03146 0.28531 -0.46131 0.31934 122 3PZ 0.09353 0.16383 0.27450 -0.21993 -0.05642 123 4XX -0.00714 0.00076 -0.00268 0.00209 0.00103 124 4YY 0.00724 -0.00272 -0.00302 0.01887 -0.00931 125 4ZZ -0.00478 -0.00093 0.01232 0.00190 0.00650 126 4XY 0.00054 -0.00303 -0.01178 0.00046 0.00075 127 4XZ 0.00385 0.00085 -0.00569 0.00039 -0.00393 128 4YZ 0.00038 0.00452 0.01438 0.00167 -0.00251 129 13 C 1S 0.00346 -0.00218 0.03754 -0.11466 0.00881 130 2S 0.02176 -0.01208 -0.03714 0.09206 0.00020 131 2PX 0.03334 0.01437 -0.09139 -0.00506 0.01489 132 2PY -0.07342 0.00890 -0.04078 -0.04693 0.09730 133 2PZ -0.05397 0.08234 0.06561 0.10588 -0.01333 134 3S -0.24982 0.12681 -0.62629 2.23064 -0.21033 135 3PX 0.11881 -0.05120 -0.31162 0.07426 0.16639 136 3PY 0.05610 0.03167 -0.28567 -0.46137 0.31977 137 3PZ -0.09285 0.16487 0.27516 0.21849 0.05667 138 4XX 0.00717 0.00075 -0.00270 -0.00209 -0.00103 139 4YY -0.00723 -0.00269 -0.00298 -0.01885 0.00931 140 4ZZ 0.00474 -0.00098 0.01227 -0.00191 -0.00651 141 4XY 0.00049 0.00303 0.01179 0.00045 0.00073 142 4XZ -0.00385 0.00086 -0.00565 -0.00039 0.00395 143 4YZ 0.00035 -0.00452 -0.01441 0.00166 -0.00247 144 14 C 1S 0.04510 -0.01272 -0.08274 -0.00560 0.01580 145 2S -0.06349 0.01527 0.09993 0.03012 -0.05217 146 2PX 0.07431 0.05086 0.02193 0.03488 0.00205 147 2PY -0.20024 0.00312 0.07372 0.05774 0.07588 148 2PZ 0.04209 0.03333 0.10848 -0.03267 0.03258 149 3S -0.86705 0.25173 1.44142 -0.00882 0.00334 150 3PX 0.12904 0.09763 0.09391 0.07781 -0.09270 151 3PY -0.60190 -0.06291 0.25391 0.33162 0.02708 152 3PZ 0.00790 0.04840 0.22305 -0.36961 0.04438 153 4XX 0.00491 0.00115 -0.00527 0.00107 0.00507 154 4YY 0.00185 0.00039 -0.00066 0.00270 -0.01114 155 4ZZ 0.00172 -0.00448 -0.01046 -0.00258 0.00738 156 4XY -0.00125 -0.00341 0.00076 0.00455 -0.00472 157 4XZ 0.00652 0.00017 0.00083 0.00032 -0.00377 158 4YZ -0.00444 0.00439 0.00510 -0.01351 0.00336 159 15 C 1S 0.02416 0.01338 0.03542 0.04221 -0.05798 160 2S -0.03760 0.03160 -0.03291 -0.06376 0.07422 161 2PX -0.06625 -0.07765 -0.04046 0.02970 0.07378 162 2PY -0.06660 -0.04452 -0.08609 0.01242 0.06321 163 2PZ 0.06081 0.00031 0.03374 0.05980 -0.06870 164 3S -0.58749 -0.40535 -0.73739 -0.58752 0.87227 165 3PX -0.25287 -0.05547 -0.05149 -0.06323 0.24360 166 3PY 0.06315 -0.14027 -0.35771 -0.05279 0.20214 167 3PZ 0.23300 0.02377 0.02613 0.27852 -0.43086 168 4XX 0.00004 -0.00265 -0.00020 -0.00112 -0.00857 169 4YY -0.00803 0.00633 -0.00048 0.01159 -0.00477 170 4ZZ 0.00485 0.00783 0.00685 -0.00001 -0.00219 171 4XY -0.00076 0.00554 0.00138 0.00027 0.00197 172 4XZ 0.00003 -0.00676 -0.00325 0.00108 0.00454 173 4YZ 0.00102 0.00217 0.00821 0.00325 -0.00261 174 16 H 1S -0.00644 0.03755 0.01576 -0.00140 0.04620 175 2S -0.59317 0.33179 0.60689 -0.47311 1.01057 176 17 H 1S -0.02126 0.00176 -0.02368 -0.01784 0.04067 177 2S -1.13221 -0.02726 -0.85859 0.32533 0.14169 178 18 H 1S -0.02057 -0.01301 -0.03986 0.00295 0.00956 179 2S -0.25736 -0.16247 -0.16878 0.67506 0.00780 180 19 H 1S 0.02087 -0.01306 -0.03992 -0.00284 -0.00960 181 2S 0.26241 -0.16375 -0.17011 -0.67474 -0.00804 182 20 H 1S 0.02108 0.00169 -0.02366 0.01788 -0.04066 183 2S 1.13278 -0.02868 -0.85888 -0.32404 -0.14200 184 21 H 1S 0.00643 0.03751 0.01575 0.00137 -0.04625 185 2S 0.58951 0.33026 0.60708 0.47210 -1.01088 186 22 H 1S 0.00937 -0.00342 -0.00525 0.00687 0.01239 187 2S -0.07578 -0.20728 0.31294 0.87881 0.19292 188 23 H 1S -0.00966 -0.00347 -0.00525 -0.00690 -0.01233 189 2S 0.06981 -0.20876 0.31108 -0.87857 -0.19396 56 57 58 59 60 V V V V V Eigenvalues -- 0.19776 0.20300 0.22884 0.23612 0.24271 1 1 C 1S 0.04172 -0.03036 -0.00037 -0.00398 -0.01075 2 2S -0.08452 0.07264 -0.02225 0.00836 0.01291 3 2PX 0.05166 -0.00319 0.02238 -0.02250 0.00388 4 2PY -0.12662 0.03613 -0.00687 0.02662 0.02174 5 2PZ -0.00547 -0.08508 -0.00855 0.03438 -0.02716 6 3S -0.53828 0.21759 0.07318 -0.01491 0.18170 7 3PX 0.08834 0.10852 -0.04763 0.00946 0.02882 8 3PY -0.20081 0.38308 0.05318 0.08079 0.06287 9 3PZ -0.03379 -0.37398 0.00281 0.06894 -0.00141 10 4XX 0.00132 -0.00559 -0.00475 -0.00671 -0.00379 11 4YY 0.00333 -0.00681 0.00172 0.00168 0.00109 12 4ZZ 0.00174 0.00095 0.00023 0.00122 0.00003 13 4XY -0.01155 -0.00105 -0.00285 -0.00372 0.00427 14 4XZ 0.00064 0.00171 0.00252 0.00324 -0.00118 15 4YZ 0.01107 -0.00491 0.00438 0.00104 0.00160 16 2 C 1S 0.04185 0.03038 -0.00030 0.00392 -0.01075 17 2S -0.08476 -0.07268 -0.02236 -0.00830 0.01297 18 2PX 0.05177 0.00301 0.02258 0.02248 0.00376 19 2PY 0.12669 0.03618 0.00701 0.02651 -0.02180 20 2PZ -0.00504 0.08503 -0.00851 -0.03456 -0.02688 21 3S -0.54038 -0.21775 0.07223 0.01612 0.18107 22 3PX 0.08818 -0.10887 -0.04725 -0.00870 0.02829 23 3PY 0.20037 0.38230 -0.05297 0.08055 -0.06329 24 3PZ -0.03310 0.37463 0.00279 -0.06899 -0.00053 25 4XX 0.00133 0.00559 -0.00472 0.00672 -0.00383 26 4YY 0.00336 0.00684 0.00173 -0.00171 0.00112 27 4ZZ 0.00171 -0.00098 0.00021 -0.00121 0.00002 28 4XY 0.01155 -0.00104 0.00282 -0.00373 -0.00424 29 4XZ 0.00066 -0.00173 0.00251 -0.00327 -0.00117 30 4YZ -0.01108 -0.00489 -0.00438 0.00102 -0.00162 31 3 C 1S -0.13286 0.00000 0.00656 0.00003 0.01032 32 2S 0.21012 0.00001 0.02144 -0.00017 -0.03314 33 2PX 0.15671 0.00005 0.02962 -0.00026 -0.03793 34 2PY 0.00023 0.00204 0.00046 0.12167 -0.00031 35 2PZ -0.15329 -0.00004 -0.33551 0.00028 -0.14420 36 3S 1.81177 -0.00014 -0.42546 0.00007 -0.21266 37 3PX 0.64738 0.00005 -0.08704 -0.00021 -0.07314 38 3PY 0.00131 -0.15176 0.00109 0.09335 0.00026 39 3PZ -0.60678 -0.00014 -0.96113 0.00070 -0.35101 40 4XX 0.01716 0.00000 -0.00421 0.00000 -0.00519 41 4YY -0.03106 -0.00001 -0.00886 -0.00001 -0.00536 42 4ZZ 0.00856 0.00001 0.02076 -0.00001 0.00602 43 4XY -0.00002 -0.00317 -0.00002 -0.01284 0.00004 44 4XZ 0.02413 0.00000 0.00910 -0.00001 0.00452 45 4YZ -0.00002 0.00102 -0.00002 0.00586 -0.00003 46 4 O 1S 0.03757 -0.00430 0.01623 0.00881 0.00522 47 2S -0.03960 -0.00495 -0.01850 -0.01044 -0.01015 48 2PX 0.15563 -0.01289 0.08245 0.02221 0.00940 49 2PY 0.22909 0.01096 0.09701 0.05022 0.02970 50 2PZ -0.14094 0.05270 0.06642 0.01943 0.02143 51 3S -0.57467 0.12537 -0.26000 -0.10829 -0.07774 52 3PX 0.29287 -0.01056 0.10248 0.00057 0.00991 53 3PY 0.49051 -0.05535 0.16649 0.03369 0.03098 54 3PZ -0.26996 0.08386 0.09343 -0.00130 0.04687 55 4XX 0.01434 -0.00337 0.00697 0.01038 0.00298 56 4YY 0.01414 -0.00249 0.01074 0.00268 0.00059 57 4ZZ 0.01615 -0.00485 -0.00056 0.00181 -0.00038 58 4XY 0.00566 -0.00007 0.00763 0.00085 0.00249 59 4XZ 0.01376 -0.00552 0.00622 -0.00774 0.00283 60 4YZ -0.00570 -0.00203 -0.00120 -0.00674 0.00221 61 5 H 1S -0.03844 -0.01574 -0.00971 -0.00107 0.00207 62 2S 0.39746 -0.72257 -0.02384 0.03140 -0.19486 63 6 H 1S -0.03840 0.01579 -0.00972 0.00110 0.00211 64 2S 0.39873 0.72280 -0.02325 -0.03288 -0.19379 65 7 H 1S 0.02870 0.00002 0.11747 -0.00008 0.04421 66 2S -0.41117 0.00006 1.47408 -0.00065 0.62339 67 8 O 1S 0.03749 0.00430 0.01618 -0.00886 0.00528 68 2S -0.03951 0.00493 -0.01842 0.01048 -0.01020 69 2PX 0.15562 0.01291 0.08250 -0.02245 0.00956 70 2PY -0.22861 0.01105 -0.09696 0.05055 -0.03001 71 2PZ -0.14145 -0.05271 0.06608 -0.01953 0.02159 72 3S -0.57351 -0.12547 -0.25927 0.10904 -0.07856 73 3PX 0.29280 0.01057 0.10263 -0.00081 0.00976 74 3PY -0.48952 -0.05529 -0.16644 0.03427 -0.03128 75 3PZ -0.27084 -0.08393 0.09295 0.00122 0.04698 76 4XX 0.01430 0.00335 0.00694 -0.01040 0.00304 77 4YY 0.01411 0.00252 0.01072 -0.00271 0.00063 78 4ZZ 0.01611 0.00484 -0.00058 -0.00184 -0.00039 79 4XY -0.00570 -0.00009 -0.00764 0.00084 -0.00252 80 4XZ 0.01376 0.00552 0.00622 0.00775 0.00277 81 4YZ 0.00572 -0.00204 0.00121 -0.00676 -0.00215 82 9 H 1S 0.05444 0.00000 -0.02907 0.00001 -0.01533 83 2S -0.30210 0.00010 -0.22100 -0.00015 -0.13136 84 10 C 1S 0.00896 0.05859 -0.01518 -0.01032 0.00711 85 2S -0.03614 -0.13602 0.05893 0.00280 0.00089 86 2PX 0.01198 -0.02090 -0.00014 0.04942 -0.06896 87 2PY 0.01272 0.01841 -0.02961 0.05817 0.09789 88 2PZ 0.02809 0.07638 0.02531 0.02033 0.09196 89 3S -0.05619 -0.42257 0.21122 0.49105 -0.42396 90 3PX -0.04377 -0.39519 0.02975 0.02955 -0.24455 91 3PY 0.08859 0.33889 -0.20610 0.27391 0.33844 92 3PZ 0.05989 0.60435 -0.09291 0.10368 0.42594 93 4XX 0.00058 -0.00134 0.00294 0.00343 -0.00451 94 4YY -0.00388 0.01274 0.00463 -0.00660 0.01302 95 4ZZ 0.00042 -0.00282 -0.00172 0.00598 -0.00901 96 4XY 0.00419 0.00326 -0.00699 -0.00143 0.00905 97 4XZ 0.00140 0.00016 -0.00313 -0.00585 0.01243 98 4YZ -0.00224 -0.00690 0.00326 -0.00124 0.00233 99 11 C 1S -0.03046 -0.05349 0.01370 -0.01858 0.04417 100 2S 0.04311 0.08636 -0.01752 0.04371 -0.05057 101 2PX -0.01099 -0.00094 -0.00253 -0.02471 0.03692 102 2PY -0.05153 -0.10978 0.09711 0.00607 -0.18653 103 2PZ 0.01420 0.00143 0.07697 0.00915 -0.19047 104 3S 0.45781 0.53108 -0.24893 0.23251 -0.78780 105 3PX -0.11758 -0.07089 -0.00480 -0.38189 0.21832 106 3PY -0.24743 -0.72509 0.46613 -0.09496 -0.92117 107 3PZ 0.08087 -0.08603 0.25085 0.03226 -0.84107 108 4XX -0.00320 0.00113 0.00295 -0.00541 0.00221 109 4YY -0.00206 -0.00462 -0.00278 0.00545 -0.00025 110 4ZZ -0.00167 -0.00894 0.00262 -0.00160 0.00443 111 4XY 0.00207 -0.00610 -0.00353 0.01081 -0.00141 112 4XZ 0.00276 0.00723 -0.00844 0.01201 -0.00164 113 4YZ 0.00097 0.00100 -0.00729 0.00214 0.00506 114 12 C 1S 0.01306 0.06055 -0.03023 0.01370 -0.06138 115 2S -0.02083 -0.09495 0.05553 -0.02946 0.05118 116 2PX 0.03120 -0.01280 -0.10540 0.29936 -0.01903 117 2PY 0.00823 0.00093 -0.06501 0.01525 -0.07132 118 2PZ 0.03355 -0.03291 0.07404 0.13077 -0.09951 119 3S -0.24331 -0.66924 0.47533 -0.11937 1.28269 120 3PX 0.06010 0.05739 -0.48257 1.18963 0.08828 121 3PY 0.14174 0.13816 -0.19364 0.13260 -0.33266 122 3PZ 0.06372 -0.24721 0.33172 0.49584 -0.81910 123 4XX 0.00236 0.00182 -0.01519 -0.00171 0.01028 124 4YY -0.00335 0.01049 0.00251 0.00077 0.00196 125 4ZZ 0.00079 0.00520 0.00885 0.00314 -0.02402 126 4XY -0.00133 -0.00160 -0.01775 -0.00758 -0.00048 127 4XZ -0.00082 -0.00284 0.00775 -0.00143 0.01389 128 4YZ 0.00610 0.00323 0.00288 -0.00411 -0.01215 129 13 C 1S 0.01301 -0.06056 -0.03028 -0.01385 -0.06151 130 2S -0.02078 0.09495 0.05560 0.02944 0.05130 131 2PX 0.03118 0.01287 -0.10622 -0.29931 -0.01770 132 2PY -0.00841 0.00086 0.06476 0.01542 0.07032 133 2PZ 0.03355 0.03292 0.07406 -0.13092 -0.09942 134 3S -0.24220 0.66941 0.47611 0.12319 1.28510 135 3PX 0.06005 -0.05696 -0.48559 -1.18820 0.09257 136 3PY -0.14260 0.13779 0.19293 0.13350 0.32868 137 3PZ 0.06351 0.24755 0.33156 -0.49918 -0.81893 138 4XX 0.00236 -0.00183 -0.01519 0.00182 0.01036 139 4YY -0.00335 -0.01050 0.00252 -0.00078 0.00184 140 4ZZ 0.00078 -0.00519 0.00883 -0.00329 -0.02399 141 4XY 0.00133 -0.00160 0.01771 -0.00763 0.00050 142 4XZ -0.00080 0.00284 0.00782 0.00146 0.01384 143 4YZ -0.00611 0.00323 -0.00289 -0.00409 0.01220 144 14 C 1S -0.03050 0.05349 0.01369 0.01878 0.04414 145 2S 0.04323 -0.08632 -0.01766 -0.04384 -0.05047 146 2PX -0.01099 0.00093 -0.00247 0.02465 0.03676 147 2PY 0.05150 -0.10991 -0.09714 0.00710 0.18707 148 2PZ 0.01424 -0.00167 0.07664 -0.01004 -0.19019 149 3S 0.45774 -0.53133 -0.24823 -0.23651 -0.78695 150 3PX -0.11792 0.07130 -0.00331 0.38235 0.21621 151 3PY 0.24787 -0.72533 -0.46691 -0.08899 0.92400 152 3PZ 0.08148 0.08476 0.24958 -0.03646 -0.84016 153 4XX -0.00320 -0.00112 0.00295 0.00542 0.00219 154 4YY -0.00204 0.00460 -0.00281 -0.00545 -0.00019 155 4ZZ -0.00169 0.00895 0.00263 0.00163 0.00440 156 4XY -0.00205 -0.00611 0.00357 0.01082 0.00140 157 4XZ 0.00275 -0.00723 -0.00846 -0.01198 -0.00155 158 4YZ -0.00098 0.00098 0.00726 0.00209 -0.00516 159 15 C 1S 0.00902 -0.05859 -0.01509 0.01036 0.00709 160 2S -0.03625 0.13599 0.05886 -0.00303 0.00081 161 2PX 0.01189 0.02099 -0.00032 -0.04994 -0.06841 162 2PY -0.01278 0.01857 0.02976 0.05769 -0.09832 163 2PZ 0.02817 -0.07634 0.02527 -0.01987 0.09144 164 3S -0.05658 0.42293 0.20871 -0.49255 -0.42207 165 3PX -0.04442 0.39511 0.02980 -0.03125 -0.24320 166 3PY -0.08911 0.34034 0.20694 0.27227 -0.33958 167 3PZ 0.06058 -0.60379 -0.09282 -0.10051 0.42451 168 4XX 0.00060 0.00135 0.00293 -0.00346 -0.00450 169 4YY -0.00387 -0.01272 0.00468 0.00662 0.01298 170 4ZZ 0.00042 0.00279 -0.00176 -0.00603 -0.00897 171 4XY -0.00419 0.00327 0.00698 -0.00149 -0.00908 172 4XZ 0.00137 -0.00015 -0.00310 0.00592 0.01241 173 4YZ 0.00224 -0.00692 -0.00326 -0.00122 -0.00230 174 16 H 1S -0.00962 0.01866 0.01223 0.02145 -0.03810 175 2S 0.17184 1.03824 -0.22636 0.06288 0.72569 176 17 H 1S -0.01811 -0.06791 0.00169 0.02127 -0.00977 177 2S -0.47578 -1.08986 0.63305 -0.17430 -0.74513 178 18 H 1S -0.00005 0.02508 -0.12078 0.03246 0.02496 179 2S 0.16837 0.45034 -1.02822 1.22730 -0.29247 180 19 H 1S -0.00008 -0.02509 -0.12087 -0.03201 0.02539 181 2S 0.16796 -0.45017 -1.03182 -1.22545 -0.28487 182 20 H 1S -0.01805 0.06787 0.00166 -0.02134 -0.00957 183 2S -0.47618 1.09004 0.63293 0.16938 -0.74622 184 21 H 1S -0.00955 -0.01868 0.01221 -0.02162 -0.03804 185 2S 0.17326 -1.03858 -0.22616 -0.05874 0.72395 186 22 H 1S -0.00476 0.01118 0.03960 -0.02664 0.06582 187 2S -0.02483 0.52548 -0.10540 -1.20332 0.08525 188 23 H 1S -0.00470 -0.01119 0.03977 0.02679 0.06578 189 2S -0.02481 -0.52580 -0.10209 1.20408 0.08205 61 62 63 64 65 V V V V V Eigenvalues -- 0.24912 0.30439 0.31363 0.32662 0.37013 1 1 C 1S 0.00707 0.00781 -0.00106 0.02274 0.11314 2 2S 0.00509 -0.00683 -0.00353 0.00765 -0.12506 3 2PX -0.02774 0.03873 0.00272 -0.12827 0.15933 4 2PY 0.04316 -0.00897 -0.00479 0.24075 0.14957 5 2PZ -0.00634 0.05663 0.01940 0.08494 -0.22683 6 3S -0.28471 -0.09009 -0.02251 -1.25508 -2.60160 7 3PX -0.05045 0.02107 0.03679 -0.70750 1.07775 8 3PY 0.29425 -0.17707 -0.01788 1.79251 1.77102 9 3PZ -0.02128 0.08837 -0.02209 0.29668 -0.98072 10 4XX -0.00157 -0.00081 -0.00319 -0.00393 -0.00535 11 4YY 0.00599 0.00270 0.00034 0.02514 0.02345 12 4ZZ -0.00244 0.00106 0.00006 -0.00403 -0.01372 13 4XY -0.00176 -0.00146 0.00387 -0.00484 -0.00223 14 4XZ 0.00086 -0.00204 -0.00055 0.01349 -0.01116 15 4YZ 0.00092 0.00267 0.00372 -0.00090 -0.00420 16 2 C 1S -0.00706 -0.00782 -0.00110 -0.02273 -0.11317 17 2S -0.00517 0.00673 -0.00363 -0.00728 0.12508 18 2PX 0.02771 -0.03843 0.00321 0.12815 -0.15946 19 2PY 0.04315 -0.00903 0.00561 0.24095 0.14936 20 2PZ 0.00626 -0.05658 0.01920 -0.08448 0.22739 21 3S 0.28460 0.09026 -0.01909 1.25353 2.60204 22 3PX 0.05062 -0.02089 0.03913 0.70836 -1.07747 23 3PY 0.29431 -0.17678 0.02361 1.79353 1.76868 24 3PZ 0.02172 -0.08874 -0.02258 -0.29323 0.98519 25 4XX 0.00158 0.00079 -0.00317 0.00392 0.00539 26 4YY -0.00600 -0.00275 0.00026 -0.02510 -0.02339 27 4ZZ 0.00244 -0.00102 0.00005 0.00402 0.01361 28 4XY -0.00177 -0.00141 -0.00388 -0.00481 -0.00231 29 4XZ -0.00086 0.00204 -0.00062 -0.01353 0.01115 30 4YZ 0.00087 0.00265 -0.00371 -0.00095 -0.00427 31 3 C 1S 0.00002 0.00002 0.00678 -0.00003 -0.00001 32 2S -0.00008 -0.00007 -0.02250 0.00012 0.00003 33 2PX -0.00007 -0.00003 0.00887 0.00010 0.00009 34 2PY 0.09120 0.07177 -0.00027 -0.03513 0.31615 35 2PZ -0.00016 0.00004 0.02877 -0.00012 0.00039 36 3S -0.00032 -0.00021 -0.05186 0.00016 0.00009 37 3PX -0.00009 -0.00019 -0.03587 0.00042 -0.00010 38 3PY -0.07854 0.09370 -0.00194 -0.95936 -0.10070 39 3PZ -0.00074 0.00000 0.05972 -0.00083 -0.00004 40 4XX -0.00001 -0.00001 -0.00469 0.00000 -0.00001 41 4YY -0.00002 -0.00001 0.00334 0.00000 -0.00003 42 4ZZ 0.00002 0.00001 0.00190 -0.00002 0.00005 43 4XY -0.00725 -0.00631 0.00002 0.00644 -0.01099 44 4XZ 0.00000 -0.00001 -0.00288 0.00002 -0.00002 45 4YZ 0.00157 0.00332 -0.00004 -0.00985 0.01509 46 4 O 1S 0.00213 -0.00068 -0.00128 0.01838 -0.04208 47 2S -0.00236 0.01329 -0.02295 -0.05334 0.03807 48 2PX 0.01732 0.03932 -0.03732 -0.18586 0.17942 49 2PY 0.00798 0.02591 -0.03347 -0.08117 -0.01748 50 2PZ 0.03257 -0.00830 -0.01259 0.15763 -0.16670 51 3S -0.00730 -0.01931 0.09570 -0.17012 0.92144 52 3PX -0.01084 0.04506 -0.00339 -0.44726 0.39736 53 3PY -0.01785 0.03114 -0.03136 -0.21354 -0.29134 54 3PZ 0.04114 -0.04897 -0.00603 0.40985 -0.27654 55 4XX 0.00244 0.00766 -0.00361 -0.00469 -0.02432 56 4YY 0.00397 0.00385 -0.00886 0.00906 0.00081 57 4ZZ -0.00189 -0.00048 -0.01010 -0.00495 -0.01837 58 4XY 0.00588 -0.00002 0.00153 0.02045 0.02168 59 4XZ -0.00769 -0.00504 0.00144 0.00121 -0.01203 60 4YZ -0.00535 -0.00456 0.00265 -0.01788 -0.01716 61 5 H 1S -0.00776 0.01324 -0.01283 -0.02440 0.06612 62 2S -0.09438 0.28193 0.02588 -0.34179 -0.96054 63 6 H 1S 0.00770 -0.01325 -0.01273 0.02449 -0.06666 64 2S 0.09411 -0.28184 0.02751 0.34209 0.96232 65 7 H 1S 0.00011 0.00005 0.00720 0.00002 0.00004 66 2S 0.00114 0.00027 -0.06133 -0.00017 -0.00021 67 8 O 1S -0.00213 0.00067 -0.00134 -0.01841 0.04214 68 2S 0.00232 -0.01330 -0.02265 0.05337 -0.03829 69 2PX -0.01725 -0.03936 -0.03640 0.18591 -0.17941 70 2PY 0.00798 0.02605 0.03306 -0.08113 -0.01798 71 2PZ -0.03256 0.00829 -0.01311 -0.15789 0.16693 72 3S 0.00728 0.01950 0.09581 0.17102 -0.92217 73 3PX 0.01104 -0.04501 -0.00173 0.44745 -0.39741 74 3PY -0.01793 0.03113 0.03053 -0.21275 -0.29240 75 3PZ -0.04117 0.04904 -0.00751 -0.41084 0.27625 76 4XX -0.00245 -0.00765 -0.00357 0.00468 0.02427 77 4YY -0.00397 -0.00386 -0.00884 -0.00898 -0.00073 78 4ZZ 0.00187 0.00046 -0.01005 0.00488 0.01829 79 4XY 0.00585 -0.00005 -0.00145 0.02045 0.02167 80 4XZ 0.00773 0.00506 0.00140 -0.00121 0.01206 81 4YZ -0.00538 -0.00457 -0.00269 -0.01791 -0.01723 82 9 H 1S -0.00003 -0.00004 -0.01419 0.00005 -0.00008 83 2S -0.00020 -0.00004 0.04276 0.00017 0.00002 84 10 C 1S 0.00771 0.04914 -0.06116 -0.00215 -0.00129 85 2S -0.01976 -0.05110 0.03526 -0.00798 0.02194 86 2PX 0.06478 0.02936 -0.10759 0.06952 -0.02048 87 2PY -0.01768 -0.19978 -0.04472 0.03375 -0.03090 88 2PZ -0.15600 0.04038 0.10438 0.05957 0.00494 89 3S -0.14089 -1.39660 1.97723 -0.08637 -0.13737 90 3PX 0.35979 -0.00158 -0.90137 0.13500 -0.04306 91 3PY -0.17583 -1.37895 -0.73234 -0.09734 -0.22965 92 3PZ -0.57625 0.29786 0.78920 -0.00178 -0.03222 93 4XX -0.00609 -0.00239 -0.01760 0.01094 -0.00255 94 4YY 0.00105 0.02473 0.00733 -0.01045 0.00335 95 4ZZ 0.00481 -0.01759 -0.00114 -0.00623 0.00020 96 4XY -0.00239 0.00349 -0.02272 -0.00376 -0.00019 97 4XZ 0.00235 0.01440 0.01143 0.00792 -0.00111 98 4YZ 0.00641 0.00076 0.02429 -0.00024 -0.00158 99 11 C 1S -0.00495 0.05463 0.04988 0.01175 -0.00114 100 2S -0.01918 -0.06390 -0.05072 -0.01445 -0.03160 101 2PX 0.03129 -0.03918 -0.16619 -0.08568 0.01374 102 2PY -0.04706 -0.04811 -0.13047 0.02990 -0.00215 103 2PZ 0.02965 -0.15521 0.17486 -0.02995 0.00057 104 3S 0.41475 -1.37573 -1.44058 -0.19949 0.12333 105 3PX 0.26667 -0.06260 -1.06839 0.07424 -0.13188 106 3PY -0.13692 -0.13899 -0.86068 0.07585 0.14640 107 3PZ -0.14174 -0.67733 1.01264 -0.11133 0.14532 108 4XX -0.00286 0.00931 0.01012 -0.00492 0.00618 109 4YY 0.00715 -0.02216 -0.00258 0.00405 -0.00165 110 4ZZ -0.00571 0.01852 -0.00226 0.00471 -0.00845 111 4XY -0.01181 -0.01090 0.01299 -0.00593 -0.00773 112 4XZ 0.00618 -0.01091 -0.00233 0.00061 -0.00585 113 4YZ 0.02000 0.01495 -0.01318 -0.00462 -0.00686 114 12 C 1S -0.04259 -0.02516 0.01175 -0.00100 0.00756 115 2S 0.04871 0.02442 -0.00758 0.00886 0.00492 116 2PX 0.03234 0.14637 -0.02940 -0.00393 0.00980 117 2PY 0.32586 -0.14187 0.07100 -0.07002 -0.01892 118 2PZ -0.12539 -0.20188 0.02888 -0.00710 0.05840 119 3S 0.69818 0.42711 -0.49289 0.01440 -0.20551 120 3PX 0.14540 0.59026 0.15133 -0.00257 0.00948 121 3PY 1.37255 -0.47597 0.29477 -0.28844 -0.14388 122 3PZ -0.45353 -0.90144 0.04881 -0.03208 0.24779 123 4XX 0.01496 -0.00165 -0.00573 -0.00478 0.00053 124 4YY -0.02629 0.00811 0.01237 0.00495 0.00126 125 4ZZ 0.00593 -0.01032 -0.00587 0.00219 0.00276 126 4XY -0.00262 -0.00239 0.00661 -0.00052 -0.00138 127 4XZ -0.00090 0.01346 0.00625 0.00205 0.01216 128 4YZ 0.00503 0.00516 0.02349 -0.00173 -0.00195 129 13 C 1S 0.04235 0.02515 0.01175 0.00098 -0.00751 130 2S -0.04852 -0.02434 -0.00769 -0.00881 -0.00489 131 2PX -0.03240 -0.14613 -0.02890 0.00398 -0.01017 132 2PY 0.32597 -0.14238 -0.07104 -0.06973 -0.01888 133 2PZ 0.12561 0.20172 0.02878 0.00667 -0.05855 134 3S -0.69291 -0.42752 -0.49245 -0.01303 0.20397 135 3PX -0.14521 -0.58926 0.15363 0.00208 -0.00997 136 3PY 1.37330 -0.47805 -0.29471 -0.28756 -0.14411 137 3PZ 0.45290 0.90051 0.04783 0.03150 -0.24714 138 4XX -0.01492 0.00163 -0.00572 0.00481 -0.00055 139 4YY 0.02627 -0.00809 0.01243 -0.00500 -0.00125 140 4ZZ -0.00599 0.01033 -0.00595 -0.00216 -0.00273 141 4XY -0.00266 -0.00241 -0.00664 -0.00050 -0.00133 142 4XZ 0.00096 -0.01341 0.00629 -0.00211 -0.01224 143 4YZ 0.00514 0.00508 -0.02346 -0.00165 -0.00202 144 14 C 1S 0.00509 -0.05452 0.04998 -0.01193 0.00111 145 2S 0.01901 0.06373 -0.05069 0.01471 0.03166 146 2PX -0.03115 0.03940 -0.16613 0.08633 -0.01371 147 2PY -0.04656 -0.04801 0.13018 0.02940 -0.00227 148 2PZ -0.03051 0.15534 0.17524 0.02945 0.00005 149 3S -0.41739 1.37299 -1.44381 0.20533 -0.12347 150 3PX -0.26571 0.06201 -1.07127 -0.06987 0.13127 151 3PY -0.13495 -0.13826 0.85911 0.07203 0.14672 152 3PZ 0.13766 0.67847 1.01441 0.10753 -0.14352 153 4XX 0.00288 -0.00926 0.01017 0.00493 -0.00617 154 4YY -0.00723 0.02209 -0.00268 -0.00404 0.00160 155 4ZZ 0.00579 -0.01850 -0.00219 -0.00470 0.00849 156 4XY -0.01177 -0.01095 -0.01300 -0.00593 -0.00780 157 4XZ -0.00620 0.01085 -0.00239 -0.00062 0.00589 158 4YZ 0.01993 0.01506 0.01317 -0.00470 -0.00689 159 15 C 1S -0.00767 -0.04923 -0.06115 0.00237 0.00126 160 2S 0.01973 0.05131 0.03525 0.00783 -0.02231 161 2PX -0.06484 -0.02938 -0.10823 -0.06914 0.02072 162 2PY -0.01836 -0.19976 0.04504 0.03374 -0.03080 163 2PZ 0.15630 -0.04041 0.10441 -0.05984 -0.00492 164 3S 0.13873 1.39879 1.97756 0.07857 0.13906 165 3PX -0.36009 0.00143 -0.90513 -0.13140 0.04277 166 3PY -0.17838 -1.37779 0.73180 -0.10049 -0.22913 167 3PZ 0.57721 -0.29863 0.79125 -0.00171 0.03196 168 4XX 0.00611 0.00236 -0.01769 -0.01088 0.00251 169 4YY -0.00103 -0.02467 0.00751 0.01039 -0.00341 170 4ZZ -0.00485 0.01757 -0.00119 0.00624 -0.00018 171 4XY -0.00242 0.00357 0.02265 -0.00387 -0.00020 172 4XZ -0.00232 -0.01440 0.01147 -0.00798 0.00116 173 4YZ 0.00641 0.00066 -0.02427 -0.00014 -0.00159 174 16 H 1S -0.00080 -0.06442 0.08429 -0.04240 0.00080 175 2S -0.70054 -0.13154 0.19468 -0.06264 -0.05963 176 17 H 1S 0.04854 -0.09263 -0.02670 0.01847 0.00895 177 2S -0.14793 0.07423 -0.43558 0.18432 0.11039 178 18 H 1S 0.05928 -0.00897 -0.03389 -0.01508 -0.03028 179 2S 0.65843 0.47098 0.15089 -0.11673 -0.11310 180 19 H 1S -0.05911 0.00901 -0.03399 0.01528 0.03026 181 2S -0.65959 -0.47088 0.15257 0.11634 0.11282 182 20 H 1S -0.04860 0.09266 -0.02695 -0.01839 -0.00929 183 2S 0.14601 -0.07516 -0.43604 -0.18283 -0.11054 184 21 H 1S 0.00060 0.06451 0.08432 0.04206 -0.00091 185 2S 0.70286 0.13236 0.19553 0.06176 0.05937 186 22 H 1S 0.03656 0.01795 -0.04199 -0.00544 0.02131 187 2S 0.53287 -0.09813 0.07743 -0.09633 -0.19793 188 23 H 1S -0.03633 -0.01804 -0.04189 0.00555 -0.02157 189 2S -0.53283 0.09879 0.07631 0.09647 0.19847 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50829 1 1 C 1S -0.00852 -0.00394 0.00861 -0.00101 0.02782 2 2S 0.00057 -0.21694 -0.06306 0.08086 0.01527 3 2PX -0.01242 -0.05347 0.10315 -0.19422 0.16452 4 2PY -0.01584 0.31626 -0.07042 0.01994 -0.20517 5 2PZ -0.02137 0.10306 -0.11362 -0.10965 -0.29686 6 3S 0.24243 0.06210 0.06687 -0.02873 -0.07268 7 3PX 0.06063 0.04785 0.10745 0.22585 -0.16315 8 3PY -0.09691 -0.42538 -0.14958 0.02416 0.19089 9 3PZ 0.03023 -0.22607 -0.09929 0.13232 0.32487 10 4XX 0.00105 0.00757 -0.00266 0.00458 -0.00943 11 4YY -0.00303 -0.07461 -0.00884 0.00698 0.01799 12 4ZZ 0.00216 0.02596 0.00877 0.00176 0.03211 13 4XY 0.00298 -0.00277 0.00242 0.01434 -0.02746 14 4XZ -0.00127 0.02765 -0.00477 -0.00534 -0.02622 15 4YZ -0.00144 0.00250 0.00129 -0.02035 -0.00775 16 2 C 1S 0.00851 -0.00403 -0.00858 -0.00100 0.02781 17 2S 0.00016 -0.21666 0.06423 0.08121 0.01582 18 2PX 0.01214 -0.05438 -0.10206 -0.19449 0.16374 19 2PY -0.01514 -0.31633 -0.06875 -0.02021 0.20542 20 2PZ 0.02126 0.10382 0.11285 -0.10976 -0.29608 21 3S -0.24240 0.06120 -0.06737 -0.02939 -0.07320 22 3PX -0.05984 0.04813 -0.10844 0.22595 -0.16237 23 3PY -0.09801 0.42445 -0.15196 -0.02410 -0.19026 24 3PZ -0.03037 -0.22551 0.10007 0.13178 0.32366 25 4XX -0.00109 0.00759 0.00255 0.00454 -0.00940 26 4YY 0.00324 -0.07471 0.00927 0.00705 0.01802 27 4ZZ -0.00223 0.02584 -0.00887 0.00180 0.03215 28 4XY 0.00288 0.00269 0.00247 -0.01433 0.02752 29 4XZ 0.00117 0.02776 0.00463 -0.00538 -0.02619 30 4YZ -0.00142 -0.00277 0.00128 0.02038 0.00774 31 3 C 1S -0.00001 0.01004 -0.00002 -0.00756 0.01608 32 2S 0.00019 -0.36572 0.00108 0.00668 -0.09778 33 2PX 0.00015 -0.37690 0.00122 -0.13878 -0.29016 34 2PY -0.10843 -0.00020 0.00498 0.00024 0.00095 35 2PZ -0.00019 0.31852 -0.00099 -0.05653 -0.03633 36 3S -0.00054 0.91959 -0.00292 0.07160 0.12206 37 3PX -0.00009 0.79842 -0.00284 0.39786 0.43584 38 3PY 0.12639 0.00076 0.10556 -0.00027 -0.00188 39 3PZ 0.00041 -0.70967 0.00240 0.12352 0.34506 40 4XX 0.00001 -0.01089 0.00000 0.02612 0.03731 41 4YY 0.00001 0.03632 -0.00009 -0.00517 -0.00494 42 4ZZ -0.00002 -0.01433 0.00006 -0.02865 -0.01858 43 4XY 0.00484 0.00001 0.00374 -0.00002 -0.00001 44 4XZ 0.00000 0.01528 -0.00007 0.01366 -0.00820 45 4YZ -0.00822 0.00001 -0.00878 0.00004 0.00005 46 4 O 1S 0.00185 0.01077 -0.00852 0.00173 -0.01452 47 2S -0.02445 0.05187 -0.01359 0.03073 0.13463 48 2PX -0.04325 -0.06605 0.01197 -0.02340 -0.00444 49 2PY -0.02795 -0.08587 -0.04232 0.07265 -0.11328 50 2PZ -0.01787 0.04808 -0.07995 -0.00521 -0.13856 51 3S -0.02098 -0.49405 0.13391 -0.07038 -0.26342 52 3PX 0.00342 0.04446 0.11384 -0.07308 -0.06782 53 3PY 0.01706 0.33914 0.01359 -0.01388 0.01181 54 3PZ -0.00918 -0.00421 -0.06735 -0.07325 -0.03793 55 4XX -0.00516 0.05353 -0.01322 0.00813 0.01014 56 4YY -0.01148 -0.05531 -0.01100 0.01387 0.02061 57 4ZZ -0.00656 0.04801 -0.01718 0.02072 0.02276 58 4XY -0.00423 -0.02179 0.00804 -0.01257 0.00409 59 4XZ 0.00973 0.01926 0.01772 -0.01577 0.03916 60 4YZ 0.00899 0.02320 0.00241 0.00081 -0.00762 61 5 H 1S -0.00191 -0.07786 0.02214 0.08492 0.19774 62 2S -0.07266 -0.02487 -0.02984 -0.08730 0.04187 63 6 H 1S 0.00193 -0.07849 -0.02175 0.08504 0.19786 64 2S 0.07203 -0.02392 0.03014 -0.08783 0.04210 65 7 H 1S -0.00004 0.03697 -0.00007 -0.07927 -0.08966 66 2S -0.00001 0.00405 0.00005 -0.07711 -0.24454 67 8 O 1S -0.00187 0.01083 0.00845 0.00174 -0.01451 68 2S 0.02436 0.05184 0.01322 0.03068 0.13469 69 2PX 0.04316 -0.06617 -0.01156 -0.02353 -0.00468 70 2PY -0.02805 0.08541 -0.04272 -0.07260 0.11374 71 2PZ 0.01780 0.04884 0.07949 -0.00520 -0.13800 72 3S 0.02180 -0.49438 -0.13072 -0.07021 -0.26395 73 3PX -0.00350 0.04399 -0.11394 -0.07298 -0.06729 74 3PY 0.01763 -0.33898 0.01547 0.01400 -0.01201 75 3PZ 0.00906 -0.00460 0.06755 -0.07326 -0.03839 76 4XX 0.00510 0.05361 0.01288 0.00813 0.01020 77 4YY 0.01151 -0.05518 0.01130 0.01384 0.02053 78 4ZZ 0.00650 0.04800 0.01684 0.02074 0.02280 79 4XY -0.00422 0.02191 0.00789 0.01262 -0.00400 80 4XZ -0.00981 0.01916 -0.01776 -0.01576 0.03914 81 4YZ 0.00900 -0.02345 0.00255 -0.00086 0.00748 82 9 H 1S 0.00002 0.05633 -0.00031 0.11208 0.14999 83 2S 0.00019 0.05052 -0.00020 0.09429 0.07494 84 10 C 1S 0.09297 -0.00185 0.03360 0.00378 0.00423 85 2S -0.03044 -0.05818 -0.01605 -0.06472 0.33224 86 2PX 0.04083 0.09902 0.16319 0.12694 -0.08397 87 2PY -0.15081 -0.04915 0.22086 0.24826 0.03551 88 2PZ -0.11631 0.12572 -0.11110 -0.13639 0.06460 89 3S -3.56238 0.18418 -1.45323 0.00014 -0.36830 90 3PX 1.02386 -0.07747 1.81175 -0.14051 0.06449 91 3PY -2.25444 -0.02960 1.71276 -0.36822 -0.01961 92 3PZ -1.26458 -0.12330 -1.45054 0.15537 -0.07928 93 4XX -0.00256 0.00700 0.01392 -0.01025 0.00994 94 4YY 0.00678 -0.00891 -0.02035 0.02335 0.04658 95 4ZZ -0.00737 -0.00206 -0.00204 -0.01745 0.01517 96 4XY -0.00891 -0.00699 -0.00308 -0.01911 0.00377 97 4XZ 0.00498 0.00170 -0.00255 0.01940 -0.03192 98 4YZ 0.00827 0.00594 0.00452 0.01980 -0.00081 99 11 C 1S -0.08007 0.00704 -0.04120 0.00014 0.00068 100 2S 0.05695 -0.09485 -0.01136 -0.02363 0.13280 101 2PX -0.11043 0.04993 0.05369 -0.24895 0.09738 102 2PY 0.12935 -0.06115 0.06021 0.00787 0.00627 103 2PZ 0.14509 -0.02293 -0.19038 0.19355 -0.07365 104 3S 2.35138 0.01595 2.13869 -0.14899 0.00380 105 3PX 0.28296 -0.03417 1.64543 0.47822 -0.06063 106 3PY 1.87569 0.04479 0.92183 0.00789 0.10232 107 3PZ 0.57312 0.18944 -1.79685 -0.34879 0.17834 108 4XX -0.00037 -0.00239 -0.02191 -0.01139 0.00870 109 4YY -0.00206 0.01230 0.00819 0.00906 0.00647 110 4ZZ 0.00848 -0.02258 0.01418 0.01049 0.00574 111 4XY -0.01693 -0.01246 -0.00691 -0.02817 0.01022 112 4XZ -0.01032 0.00889 0.01361 0.01360 -0.02765 113 4YZ 0.00524 -0.01329 0.01288 0.02803 -0.00007 114 12 C 1S 0.05783 -0.00512 0.00860 -0.00042 -0.00109 115 2S 0.02159 -0.06917 0.00011 -0.06017 -0.00084 116 2PX 0.01405 0.16200 0.00976 0.07810 0.21370 117 2PY 0.02777 -0.05388 -0.18905 -0.29548 -0.02123 118 2PZ 0.08575 0.16421 -0.15413 -0.04083 0.00816 119 3S -1.82691 0.05191 -0.03487 0.21193 -0.08717 120 3PX -0.50944 -0.24027 -0.06289 -0.13898 -0.28033 121 3PY -0.40725 0.04710 -1.14342 0.30583 0.05985 122 3PZ 1.62442 -0.14309 -0.40134 0.03654 0.01725 123 4XX -0.01903 -0.00224 0.00430 0.01282 -0.00779 124 4YY -0.00218 -0.01650 0.00722 -0.06120 -0.00621 125 4ZZ 0.02746 -0.00826 -0.01038 0.03539 0.00315 126 4XY -0.00209 -0.02139 -0.00232 -0.01223 -0.02784 127 4XZ -0.01037 0.02755 -0.02013 -0.00821 0.04324 128 4YZ -0.00174 -0.01511 -0.00790 0.01213 -0.00195 129 13 C 1S -0.05780 -0.00528 -0.00860 -0.00042 -0.00110 130 2S -0.02157 -0.06891 0.00028 -0.06015 -0.00092 131 2PX -0.01475 0.16217 -0.01088 0.07794 0.21391 132 2PY 0.02816 0.05234 -0.18930 0.29512 0.02122 133 2PZ -0.08599 0.16486 0.15311 -0.03991 0.00806 134 3S 1.82612 0.05366 0.03601 0.21128 -0.08735 135 3PX 0.50837 -0.23888 0.06593 -0.13926 -0.28019 136 3PY -0.40486 -0.05411 -1.14329 -0.30742 -0.05871 137 3PZ -1.62428 -0.14284 0.39986 0.03694 0.01636 138 4XX 0.01911 -0.00215 -0.00419 0.01281 -0.00772 139 4YY 0.00212 -0.01660 -0.00720 -0.06119 -0.00623 140 4ZZ -0.02746 -0.00827 0.01038 0.03539 0.00306 141 4XY -0.00207 0.02133 -0.00262 0.01228 0.02776 142 4XZ 0.01020 0.02776 0.02001 -0.00814 0.04337 143 4YZ -0.00175 0.01507 -0.00799 -0.01232 0.00196 144 14 C 1S 0.08006 0.00741 0.04112 0.00014 0.00066 145 2S -0.05664 -0.09499 0.01213 -0.02333 0.13235 146 2PX 0.11003 0.04980 -0.05343 -0.24890 0.09756 147 2PY 0.12919 0.06194 0.05922 -0.00837 -0.00575 148 2PZ -0.14466 -0.02261 0.19038 0.19381 -0.07411 149 3S -2.35122 0.00047 -2.13608 -0.15077 0.00545 150 3PX -0.28578 -0.04486 -1.64573 0.47680 -0.05904 151 3PY 1.87571 -0.03723 0.91641 -0.00633 -0.10365 152 3PZ -0.57011 0.19976 1.79468 -0.34604 0.17662 153 4XX 0.00042 -0.00229 0.02201 -0.01144 0.00872 154 4YY 0.00197 0.01229 -0.00831 0.00923 0.00639 155 4ZZ -0.00837 -0.02269 -0.01407 0.01039 0.00565 156 4XY -0.01705 0.01241 -0.00697 0.02811 -0.01020 157 4XZ 0.01028 0.00880 -0.01377 0.01366 -0.02767 158 4YZ 0.00522 0.01344 0.01275 -0.02800 0.00003 159 15 C 1S -0.09297 -0.00216 -0.03354 0.00379 0.00423 160 2S 0.03008 -0.05786 0.01656 -0.06470 0.33221 161 2PX -0.04078 0.09765 -0.16416 0.12704 -0.08385 162 2PY -0.15069 0.05031 0.22067 -0.24757 -0.03579 163 2PZ 0.11584 0.12656 0.11075 -0.13670 0.06453 164 3S 3.56255 0.19736 1.44787 0.00122 -0.36927 165 3PX -1.02203 -0.08943 -1.81195 -0.14267 0.06566 166 3PY -2.25782 0.03663 1.70610 0.36984 0.01800 167 3PZ 1.26083 -0.11271 1.45177 0.15687 -0.08011 168 4XX 0.00254 0.00693 -0.01399 -0.01033 0.00996 169 4YY -0.00694 -0.00872 0.02035 0.02348 0.04658 170 4ZZ 0.00747 -0.00206 0.00216 -0.01748 0.01513 171 4XY -0.00894 0.00694 -0.00324 0.01906 -0.00378 172 4XZ -0.00498 0.00169 0.00246 0.01944 -0.03192 173 4YZ 0.00821 -0.00590 0.00469 -0.01970 0.00084 174 16 H 1S 0.04077 0.00367 0.03592 0.01152 0.07755 175 2S -1.03648 -0.08047 -0.42418 -0.04207 0.04266 176 17 H 1S -0.08384 0.07537 0.03334 0.01000 0.02084 177 2S 0.74125 0.00167 0.21737 0.02523 0.07763 178 18 H 1S -0.05307 -0.08385 0.07786 0.02350 -0.14640 179 2S -0.17321 -0.08967 -0.11360 -0.07990 -0.02179 180 19 H 1S 0.05307 -0.08412 -0.07699 0.02342 -0.14638 181 2S 0.17267 -0.08832 0.11376 -0.07993 -0.02132 182 20 H 1S 0.08362 0.07562 -0.03361 0.01004 0.02077 183 2S -0.74013 -0.00084 -0.21686 0.02503 0.07772 184 21 H 1S -0.04079 0.00353 -0.03622 0.01161 0.07758 185 2S 1.03632 -0.07626 0.42469 -0.04190 0.04273 186 22 H 1S -0.05932 0.13958 -0.06654 0.02986 0.16994 187 2S -0.28277 -0.06697 0.03740 -0.04885 -0.06066 188 23 H 1S 0.05915 0.14020 0.06581 0.02992 0.17017 189 2S 0.28296 -0.06705 -0.03715 -0.04897 -0.06079 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54652 0.54788 0.54867 0.56890 1 1 C 1S -0.00942 0.04603 -0.00525 -0.02162 0.01973 2 2S 0.01681 -0.04063 -0.16723 0.00664 -0.08551 3 2PX -0.33503 -0.15435 0.28703 0.00051 0.43682 4 2PY 0.06260 0.17747 0.13606 0.18573 -0.07081 5 2PZ -0.13058 -0.03300 0.02675 0.07961 -0.05815 6 3S -0.14375 -1.08428 -0.02071 -0.13293 -0.12356 7 3PX 0.40302 0.69672 -0.52369 -0.14764 -0.89878 8 3PY -0.19208 0.73283 -0.35995 -0.36135 0.13583 9 3PZ 0.17581 -0.27460 0.14570 -0.02900 0.07832 10 4XX -0.02495 -0.00928 -0.00465 0.00147 0.01663 11 4YY 0.00106 0.02245 -0.03016 -0.00954 -0.00742 12 4ZZ 0.00248 -0.01042 0.01518 -0.00793 0.02181 13 4XY 0.02334 0.01447 -0.04734 -0.00815 0.00659 14 4XZ 0.01122 -0.01172 0.01475 0.02025 -0.02827 15 4YZ -0.02611 -0.01523 0.00135 0.00890 0.00070 16 2 C 1S -0.00949 -0.04589 -0.00780 -0.02110 -0.01977 17 2S 0.01737 0.04878 -0.16491 0.00620 0.08358 18 2PX -0.33542 0.13937 0.29324 -0.00090 -0.43691 19 2PY -0.06255 0.18263 -0.12605 -0.18790 -0.07012 20 2PZ -0.13088 0.03190 0.02910 0.07922 0.05672 21 3S -0.14324 1.08336 0.03772 -0.14590 0.12763 22 3PX 0.40175 -0.66995 -0.55664 -0.14017 0.89783 23 3PY 0.19314 0.71575 0.39824 0.35280 0.13382 24 3PZ 0.17638 0.26908 0.15916 -0.03216 -0.07706 25 4XX -0.02496 0.00952 -0.00418 0.00140 -0.01647 26 4YY 0.00109 -0.02090 -0.03149 -0.00927 0.00724 27 4ZZ 0.00253 0.00950 0.01565 -0.00806 -0.02208 28 4XY -0.02337 0.01206 0.04799 0.00793 0.00652 29 4XZ 0.01115 0.01116 0.01559 0.02019 0.02840 30 4YZ 0.02614 -0.01537 -0.00232 -0.00876 0.00041 31 3 C 1S -0.01516 0.00001 -0.00355 -0.02241 0.00003 32 2S 0.14617 -0.00236 0.13285 0.25194 -0.00023 33 2PX 0.06788 -0.00334 0.17486 0.28195 0.00031 34 2PY 0.00064 -0.85334 -0.02249 0.00515 -0.25714 35 2PZ -0.45825 0.00329 -0.22539 -0.30889 -0.00021 36 3S -0.30170 0.00426 -0.23155 -0.34981 -0.00004 37 3PX -0.11517 0.01310 -0.63192 -0.66323 -0.00139 38 3PY -0.00109 1.46657 0.03849 -0.00927 0.53722 39 3PZ 0.94718 -0.01134 0.72535 0.94828 0.00084 40 4XX 0.02769 -0.00010 0.00796 0.01273 -0.00001 41 4YY -0.03414 0.00066 -0.02552 -0.01970 0.00005 42 4ZZ -0.03183 -0.00038 0.00560 -0.02081 -0.00004 43 4XY -0.00001 0.04316 0.00122 -0.00023 0.03031 44 4XZ -0.00049 0.00071 -0.03051 -0.01655 -0.00005 45 4YZ 0.00001 -0.05045 -0.00139 0.00030 -0.02431 46 4 O 1S -0.00214 -0.00740 0.00098 0.00439 -0.00341 47 2S -0.13993 0.09571 -0.00962 -0.15714 0.07759 48 2PX -0.10174 -0.02944 0.07635 -0.02765 0.10081 49 2PY 0.15678 -0.21171 0.03366 0.11806 -0.14970 50 2PZ -0.08783 0.05717 -0.03617 -0.04684 -0.04647 51 3S 0.61742 -0.27682 0.07014 0.57062 -0.54595 52 3PX -0.00933 0.21980 -0.04447 0.00859 0.04098 53 3PY -0.19738 0.01608 -0.02108 -0.15460 0.09882 54 3PZ -0.12238 -0.26006 0.05697 0.01397 0.02169 55 4XX -0.04010 0.02064 -0.01215 -0.03988 -0.00360 56 4YY 0.00211 -0.00087 0.02110 -0.00630 0.01378 57 4ZZ -0.04407 0.01496 -0.00985 -0.04227 -0.00361 58 4XY -0.00349 -0.05434 0.01684 0.01295 -0.00361 59 4XZ -0.03597 0.01563 0.01356 -0.02840 0.05655 60 4YZ -0.00375 0.05973 -0.02094 -0.01816 -0.00427 61 5 H 1S 0.09128 0.08661 0.00562 -0.12406 0.04011 62 2S 0.08634 -0.39798 0.30140 0.18887 0.03388 63 6 H 1S 0.09097 -0.08839 0.00039 -0.12327 -0.04153 64 2S 0.08684 0.38466 0.32267 0.18455 -0.03465 65 7 H 1S -0.16528 0.00186 -0.12982 -0.23029 -0.00021 66 2S -0.22741 0.00295 -0.19986 -0.31386 0.00010 67 8 O 1S -0.00211 0.00735 0.00137 0.00430 0.00343 68 2S -0.13997 -0.09663 -0.01518 -0.15608 -0.07793 69 2PX -0.10181 0.02499 0.07733 -0.02797 -0.10057 70 2PY -0.15662 -0.21041 -0.04516 -0.11558 -0.14898 71 2PZ -0.08780 -0.05647 -0.03907 -0.04635 0.04608 72 3S 0.61684 0.27857 0.08700 0.56771 0.54536 73 3PX -0.00954 -0.21734 -0.05586 0.01117 -0.04176 74 3PY 0.19741 0.01618 0.02215 0.15447 0.09892 75 3PZ -0.12186 0.25688 0.07060 0.01134 -0.02085 76 4XX -0.04011 -0.02042 -0.01325 -0.03963 0.00329 77 4YY 0.00208 -0.00051 0.02091 -0.00637 -0.01383 78 4ZZ -0.04398 -0.01470 -0.01066 -0.04206 0.00358 79 4XY 0.00358 -0.05351 -0.01965 -0.01228 -0.00363 80 4XZ -0.03599 -0.01663 0.01252 -0.02826 -0.05637 81 4YZ 0.00379 0.05878 0.02408 0.01756 -0.00435 82 9 H 1S 0.06053 0.00219 -0.09346 -0.06925 -0.00020 83 2S 0.03883 0.00450 -0.19541 -0.13720 -0.00062 84 10 C 1S -0.00607 -0.00114 0.00960 -0.00155 -0.04588 85 2S -0.18014 0.01931 0.09687 0.19025 -0.09184 86 2PX -0.01247 0.02154 -0.01782 0.19923 -0.01919 87 2PY -0.18858 -0.05000 -0.00244 0.09631 0.23965 88 2PZ 0.04486 0.04385 -0.16536 0.26753 -0.07362 89 3S 0.37976 0.05985 -0.15083 -0.28074 0.97593 90 3PX -0.09686 -0.01679 0.00033 -0.05754 -0.66292 91 3PY 0.22957 0.14545 -0.03547 -0.19745 -0.32873 92 3PZ -0.04057 0.00041 0.14723 -0.27170 0.61389 93 4XX 0.01532 -0.00496 -0.00706 0.00154 0.01364 94 4YY -0.04921 0.01482 0.01357 0.04494 -0.06030 95 4ZZ 0.00327 -0.00331 0.02892 -0.01493 -0.00276 96 4XY -0.00932 0.00507 -0.03006 0.01813 -0.00503 97 4XZ 0.00371 -0.00353 -0.04133 0.00947 0.03638 98 4YZ 0.00027 -0.00483 0.03180 0.00196 0.00583 99 11 C 1S 0.00900 0.00577 -0.00044 0.00290 0.01407 100 2S -0.00249 -0.04060 -0.05269 -0.00412 -0.08434 101 2PX -0.10645 0.08720 0.07037 0.10162 -0.31267 102 2PY 0.03804 -0.07126 -0.15593 -0.08887 0.03836 103 2PZ -0.12383 -0.07875 -0.04464 0.04575 0.10999 104 3S -0.34108 0.12443 0.16713 0.27670 -1.12947 105 3PX 0.14035 -0.16036 -0.19035 -0.04828 0.10165 106 3PY -0.32874 0.12610 0.27454 0.41219 -0.75662 107 3PZ 0.35674 -0.01547 0.02181 -0.03808 0.21393 108 4XX 0.01346 -0.00306 -0.02928 0.00055 0.00212 109 4YY 0.01941 0.00333 0.05576 -0.00769 -0.01850 110 4ZZ -0.02602 -0.00132 -0.03672 0.01725 -0.00658 111 4XY 0.00178 -0.00200 0.00004 -0.01276 -0.00498 112 4XZ 0.01486 -0.00916 0.00265 -0.02604 0.04099 113 4YZ -0.03552 0.01188 0.01278 0.01921 -0.02394 114 12 C 1S 0.00315 -0.00388 0.00060 0.00101 0.00271 115 2S -0.11637 0.04473 -0.06146 0.09933 -0.11703 116 2PX -0.01475 0.10837 -0.06222 0.23150 -0.04361 117 2PY 0.07424 0.07918 -0.19106 0.06700 0.05917 118 2PZ 0.27260 -0.11567 0.09662 -0.26988 0.17047 119 3S 0.15247 -0.28122 -0.18195 -0.21658 0.56243 120 3PX -0.00004 0.04142 0.11968 -0.26153 0.31113 121 3PY -0.04445 -0.16636 0.24882 -0.11881 0.30864 122 3PZ -0.32936 0.08700 -0.05830 0.35080 -0.42797 123 4XX 0.00286 0.00909 0.02674 -0.03046 0.00329 124 4YY -0.00474 -0.00803 -0.04706 0.02862 -0.00349 125 4ZZ -0.01540 -0.00867 -0.00749 0.01717 0.00007 126 4XY -0.00627 0.00164 0.02257 -0.01525 -0.00010 127 4XZ 0.02148 0.00668 -0.00190 0.01411 -0.01260 128 4YZ -0.00576 -0.00336 -0.03321 -0.01489 0.00844 129 13 C 1S 0.00316 0.00387 0.00075 0.00090 -0.00260 130 2S -0.11651 -0.04066 -0.06303 0.09992 0.11637 131 2PX -0.01434 -0.10191 -0.06766 0.23212 0.04365 132 2PY -0.07468 0.06853 0.19514 -0.06760 0.05666 133 2PZ 0.27286 0.10820 0.10178 -0.27141 -0.16848 134 3S 0.15293 0.28788 -0.16848 -0.21930 -0.55880 135 3PX -0.00061 -0.05119 0.11723 -0.25985 -0.31143 136 3PY 0.04483 -0.15280 -0.25490 0.11957 0.31201 137 3PZ -0.32979 -0.08101 -0.06298 0.35104 0.42633 138 4XX 0.00288 -0.01079 0.02631 -0.03029 -0.00345 139 4YY -0.00475 0.01066 -0.04666 0.02846 0.00384 140 4ZZ -0.01542 0.00927 -0.00698 0.01705 -0.00002 141 4XY 0.00623 0.00307 -0.02241 0.01516 0.00012 142 4XZ 0.02145 -0.00630 -0.00229 0.01436 0.01264 143 4YZ 0.00580 -0.00501 0.03297 0.01497 0.00824 144 14 C 1S 0.00900 -0.00570 -0.00075 0.00302 -0.01444 145 2S -0.00204 0.04379 -0.05051 -0.00530 0.08371 146 2PX -0.10655 -0.08914 0.06699 0.10201 0.31256 147 2PY -0.03801 -0.07889 0.15225 0.08987 0.03756 148 2PZ -0.12382 0.08173 -0.04130 0.04421 -0.10949 149 3S -0.34212 -0.13139 0.16553 0.27660 1.12962 150 3PX 0.14082 0.16964 -0.18107 -0.05030 -0.09860 151 3PY 0.32872 0.13699 -0.26996 -0.41214 -0.75497 152 3PZ 0.35745 0.01469 0.01927 -0.03782 -0.21738 153 4XX 0.01347 0.00465 -0.02909 0.00048 -0.00181 154 4YY 0.01938 -0.00636 0.05561 -0.00762 0.01796 155 4ZZ -0.02594 0.00346 -0.03662 0.01711 0.00631 156 4XY -0.00181 -0.00191 -0.00020 0.01288 -0.00458 157 4XZ 0.01477 0.00872 0.00298 -0.02603 -0.04044 158 4YZ 0.03565 0.01226 -0.01205 -0.01938 -0.02377 159 15 C 1S -0.00607 0.00064 0.00981 -0.00163 0.04600 160 2S -0.18008 -0.02189 0.09618 0.19044 0.09082 161 2PX -0.01276 -0.01797 -0.01887 0.19921 0.02033 162 2PY 0.18849 -0.05124 0.00069 -0.09611 0.23722 163 2PZ 0.04512 -0.03194 -0.16730 0.26775 0.07342 164 3S 0.37960 -0.05491 -0.15655 -0.27760 -0.97539 165 3PX -0.09665 0.01528 0.00472 -0.05894 0.66262 166 3PY -0.22980 0.14570 0.03866 0.19618 -0.32452 167 3PZ -0.04119 -0.01106 0.14469 -0.26978 -0.61415 168 4XX 0.01530 0.00530 -0.00685 0.00156 -0.01361 169 4YY -0.04919 -0.01494 0.01315 0.04506 0.06045 170 4ZZ 0.00328 0.00172 0.02896 -0.01500 0.00255 171 4XY 0.00939 0.00327 0.03028 -0.01827 -0.00529 172 4XZ 0.00374 0.00574 -0.04117 0.00941 -0.03632 173 4YZ -0.00036 -0.00318 -0.03205 -0.00180 0.00621 174 16 H 1S -0.01085 0.01263 0.26253 -0.05627 -0.16881 175 2S -0.04798 0.06879 -0.11810 0.01296 0.20212 176 17 H 1S 0.04043 0.05045 0.26430 -0.01701 -0.11435 177 2S -0.13421 0.00953 -0.08787 0.20359 -0.24312 178 18 H 1S -0.00184 0.00949 0.15825 -0.13182 0.08313 179 2S -0.01813 0.15970 0.01306 0.10755 0.22192 180 19 H 1S -0.00177 -0.01940 0.15752 -0.13167 -0.08402 181 2S -0.01803 -0.15900 0.00405 0.10955 -0.22176 182 20 H 1S 0.04055 -0.06450 0.26180 -0.01641 0.11109 183 2S -0.13447 -0.00308 -0.08771 0.20306 0.24353 184 21 H 1S -0.01084 -0.02691 0.26215 -0.05618 0.16765 185 2S -0.04798 -0.06225 -0.12178 0.01439 -0.20170 186 22 H 1S 0.06260 0.00584 0.06192 0.05799 -0.06051 187 2S -0.05183 -0.04533 -0.01895 -0.02785 -0.01683 188 23 H 1S 0.06258 -0.00796 0.06163 0.05835 0.06023 189 2S -0.05190 0.04620 -0.01644 -0.02836 0.01691 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60744 0.61336 0.61823 0.63631 1 1 C 1S -0.00538 -0.01845 -0.01186 -0.00922 -0.01506 2 2S -0.34703 -0.22764 -0.13615 -0.21859 0.14292 3 2PX 0.10538 0.17677 0.12690 0.04166 0.01507 4 2PY -0.05888 -0.33566 0.16370 -0.07244 -0.23671 5 2PZ -0.12406 -0.23570 0.04773 -0.12879 -0.11715 6 3S 0.64593 0.65824 -0.03091 0.46938 -0.68246 7 3PX -0.26146 -0.53536 -0.14505 -0.14750 -0.17716 8 3PY 0.15881 0.33221 -0.39607 0.21103 0.76794 9 3PZ 0.19488 0.51815 0.00372 0.06990 -0.15586 10 4XX 0.01609 0.02774 -0.02586 0.00556 0.05014 11 4YY -0.03574 -0.06443 -0.03825 -0.01249 -0.04373 12 4ZZ -0.01964 0.00826 0.02280 -0.02894 0.00407 13 4XY -0.01728 -0.00322 -0.01262 -0.01364 0.00552 14 4XZ 0.01743 -0.00246 0.01810 0.01517 0.00567 15 4YZ 0.04660 0.00461 0.00035 0.05787 0.00839 16 2 C 1S -0.00530 0.01846 -0.01212 -0.00873 0.01492 17 2S -0.34868 0.22915 -0.13661 -0.21501 -0.14480 18 2PX 0.10924 -0.17586 0.12865 0.03823 -0.01368 19 2PY 0.06220 -0.33812 -0.15994 0.06657 -0.23844 20 2PZ -0.12603 0.23755 0.04654 -0.12542 0.11710 21 3S 0.64497 -0.66278 -0.03018 0.45398 0.68330 22 3PX -0.26902 0.53536 -0.15028 -0.13565 0.17453 23 3PY -0.16484 0.33822 0.39004 -0.20866 0.77103 24 3PZ 0.19651 -0.51823 0.00477 0.06082 0.15752 25 4XX 0.01640 -0.02779 -0.02544 0.00513 -0.05027 26 4YY -0.03616 0.06426 -0.03900 -0.01118 0.04331 27 4ZZ -0.01957 -0.00776 0.02293 -0.02929 -0.00395 28 4XY 0.01722 -0.00336 0.01256 0.01355 0.00565 29 4XZ 0.01717 0.00243 0.01813 0.01524 -0.00557 30 4YZ -0.04670 0.00557 -0.00060 -0.05775 0.00840 31 3 C 1S 0.00670 -0.00003 -0.00312 0.00173 -0.00003 32 2S -0.03526 0.00009 0.00718 -0.03272 -0.00025 33 2PX 0.08788 0.00055 0.02116 -0.02739 0.00009 34 2PY 0.00130 0.04610 -0.00010 0.00113 0.00716 35 2PZ -0.04558 0.00101 -0.08462 -0.12310 -0.00048 36 3S -0.01880 0.00009 0.07424 0.07530 0.00093 37 3PX -0.46602 -0.00093 -0.14474 -0.05348 -0.00090 38 3PY -0.00309 -0.09965 0.00017 -0.00271 -0.07583 39 3PZ 0.29358 -0.00366 0.34196 0.51999 0.00209 40 4XX 0.00062 -0.00004 0.01687 0.00842 0.00006 41 4YY -0.00667 -0.00018 -0.01210 0.01985 -0.00007 42 4ZZ 0.00257 0.00018 -0.01033 -0.02787 -0.00008 43 4XY -0.00014 0.02053 -0.00006 0.00018 0.01141 44 4XZ -0.03120 0.00018 -0.01175 -0.03020 -0.00010 45 4YZ 0.00011 -0.00656 -0.00001 0.00004 0.00526 46 4 O 1S 0.00314 0.00518 -0.00039 0.00274 0.00255 47 2S -0.02608 -0.02836 -0.01975 -0.06365 -0.05468 48 2PX 0.05853 0.07616 -0.00563 -0.02935 0.01944 49 2PY -0.10216 -0.09167 0.03148 -0.13927 -0.02635 50 2PZ -0.03124 -0.05411 -0.04674 -0.04850 0.04061 51 3S -0.12108 -0.39321 0.09266 -0.00120 0.03990 52 3PX -0.10639 -0.16405 0.02348 -0.05527 -0.02390 53 3PY 0.01690 0.07619 0.03001 0.02784 -0.03755 54 3PZ 0.10292 0.11058 -0.00128 0.03114 0.03703 55 4XX -0.03148 -0.04981 0.00171 -0.03311 -0.03829 56 4YY -0.00109 0.00519 -0.00503 -0.02288 -0.00369 57 4ZZ -0.00322 -0.00942 -0.00508 -0.01455 -0.00617 58 4XY 0.01984 0.01715 -0.00226 0.02111 -0.00114 59 4XZ 0.03186 0.05516 0.00726 0.01505 0.01019 60 4YZ -0.00811 -0.01171 -0.00717 -0.00993 0.00316 61 5 H 1S -0.17082 -0.09315 -0.00173 -0.28425 -0.20291 62 2S 0.04918 0.04671 0.18046 0.01131 -0.24400 63 6 H 1S -0.17142 0.09730 -0.00360 -0.28257 0.20208 64 2S 0.04834 -0.04637 0.17975 0.00937 0.24581 65 7 H 1S -0.08740 0.00114 -0.10552 -0.19897 -0.00079 66 2S -0.05870 0.00143 -0.14892 -0.19902 -0.00098 67 8 O 1S 0.00311 -0.00517 -0.00034 0.00261 -0.00250 68 2S -0.02551 0.02903 -0.02024 -0.06282 0.05414 69 2PX 0.05983 -0.07524 -0.00501 -0.03057 -0.01939 70 2PY 0.10405 -0.09385 -0.03084 0.13821 -0.02634 71 2PZ -0.03171 0.05459 -0.04684 -0.04739 -0.04110 72 3S -0.12706 0.39266 0.09065 0.00511 -0.03953 73 3PX -0.10635 0.16437 0.02245 -0.05184 0.02366 74 3PY -0.01804 0.07621 -0.03019 -0.02644 -0.03810 75 3PZ 0.10311 -0.11039 -0.00029 0.02847 -0.03673 76 4XX -0.03175 0.05017 0.00128 -0.03220 0.03816 77 4YY -0.00095 -0.00486 -0.00502 -0.02296 0.00355 78 4ZZ -0.00329 0.00963 -0.00521 -0.01431 0.00609 79 4XY -0.01990 0.01759 0.00221 -0.02081 -0.00112 80 4XZ 0.03257 -0.05522 0.00764 0.01409 -0.01008 81 4YZ 0.00813 -0.01187 0.00725 0.00962 0.00320 82 9 H 1S -0.08732 -0.00008 0.00098 -0.02259 -0.00019 83 2S -0.20520 -0.00088 -0.09480 -0.00122 -0.00060 84 10 C 1S 0.02323 -0.01963 -0.00849 -0.02393 0.02651 85 2S -0.06312 0.14568 -0.12686 -0.22162 -0.02200 86 2PX 0.22338 0.05271 -0.48179 -0.08512 -0.27028 87 2PY 0.28097 -0.11336 0.06883 -0.17396 -0.07817 88 2PZ -0.12512 0.25309 -0.26151 0.06664 -0.15316 89 3S -0.05124 -0.01319 0.11574 0.67987 -0.29939 90 3PX -0.19588 -0.31416 0.61731 -0.09782 0.61437 91 3PY -0.30041 -0.25189 -0.23278 0.19501 -0.08436 92 3PZ 0.02307 0.02131 0.09224 0.11299 -0.10003 93 4XX -0.01065 -0.00297 0.01412 -0.02522 0.02656 94 4YY 0.02697 0.01852 -0.00212 -0.04636 0.01850 95 4ZZ 0.00417 -0.00155 -0.06270 0.00917 -0.02968 96 4XY 0.01575 -0.00209 -0.02494 0.01465 0.01090 97 4XZ -0.01715 0.01518 0.04328 0.03493 -0.01487 98 4YZ -0.02144 0.00112 -0.02855 -0.02744 0.00035 99 11 C 1S -0.04650 0.03167 -0.00310 0.02896 0.00118 100 2S 0.00237 0.03587 -0.14753 -0.06666 -0.05574 101 2PX -0.02125 0.01650 -0.15792 0.19138 -0.12262 102 2PY 0.11269 -0.11538 -0.06901 0.08196 0.01368 103 2PZ 0.00265 0.12636 -0.05756 0.22953 -0.47175 104 3S -0.11359 0.08284 0.47043 -0.23619 0.47146 105 3PX 0.30307 -0.44792 0.09870 -0.43341 0.18828 106 3PY -0.07331 0.25426 0.41693 -0.77550 0.27016 107 3PZ -0.12868 0.32319 0.04870 -0.09382 0.60636 108 4XX 0.02326 -0.01986 -0.01641 0.03090 -0.01821 109 4YY -0.03230 0.03866 -0.02973 -0.03226 0.01876 110 4ZZ -0.04540 0.03144 0.02853 0.01893 -0.00445 111 4XY -0.03583 0.02156 -0.02097 0.01444 -0.02077 112 4XZ 0.06395 -0.05119 -0.02230 -0.00571 -0.01097 113 4YZ -0.01027 0.03595 -0.02638 0.01202 -0.01814 114 12 C 1S 0.01478 -0.00260 -0.00437 -0.00864 -0.02528 115 2S -0.12558 0.14544 0.01615 -0.01844 0.23390 116 2PX -0.00966 0.09659 0.16327 -0.06101 0.07877 117 2PY 0.24549 0.05145 0.05371 -0.33618 0.31967 118 2PZ 0.33577 -0.38547 -0.05251 0.02325 0.01602 119 3S 0.32999 -0.51091 -0.01532 -0.10761 -1.00027 120 3PX -0.05163 -0.20544 -0.29556 0.19696 -0.18790 121 3PY -0.35246 0.00448 -0.17677 0.64609 -0.75696 122 3PZ -0.39554 1.03946 0.28356 -0.18725 0.11076 123 4XX -0.00549 -0.01740 -0.02321 0.03476 0.03149 124 4YY 0.01433 0.00293 0.02676 -0.06359 -0.03128 125 4ZZ -0.00032 0.02020 -0.00271 0.00968 -0.00900 126 4XY -0.01814 0.00335 -0.01070 -0.00899 0.00509 127 4XZ 0.00128 -0.00825 0.00989 0.01340 0.02609 128 4YZ 0.00829 0.00027 0.00260 0.04204 -0.01759 129 13 C 1S 0.01473 0.00282 -0.00451 -0.00853 0.02528 130 2S -0.12529 -0.14556 0.01797 -0.02146 -0.23419 131 2PX -0.00884 -0.09496 0.16390 -0.06225 -0.07769 132 2PY -0.24724 0.04304 -0.05533 0.33752 0.31932 133 2PZ 0.33493 0.38676 -0.05420 0.03090 -0.01458 134 3S 0.33051 0.51450 -0.02192 -0.09777 1.00039 135 3PX -0.05045 0.20029 -0.29595 0.20018 0.18549 136 3PY 0.35060 0.02049 0.17941 -0.64546 -0.75593 137 3PZ -0.39459 -1.03752 0.28872 -0.20795 -0.11229 138 4XX -0.00542 0.01670 -0.02307 0.03503 -0.03166 139 4YY 0.01431 -0.00156 0.02663 -0.06347 0.03138 140 4ZZ -0.00035 -0.02045 -0.00269 0.00919 0.00901 141 4XY 0.01810 0.00333 0.01062 0.00905 0.00523 142 4XZ 0.00124 0.00790 0.01007 0.01349 -0.02592 143 4YZ -0.00832 0.00090 -0.00248 -0.04215 -0.01766 144 14 C 1S -0.04615 -0.03241 -0.00287 0.02831 -0.00132 145 2S 0.00201 -0.03481 -0.14774 -0.06689 0.05518 146 2PX -0.02409 -0.02116 -0.15855 0.19067 0.12161 147 2PY -0.11208 -0.11411 0.06984 -0.08480 0.01273 148 2PZ 0.00283 -0.13069 -0.05883 0.22675 0.47135 149 3S -0.12376 -0.07875 0.47159 -0.23657 -0.46934 150 3PX 0.30162 0.45774 0.09748 -0.42455 -0.18775 151 3PY 0.07885 0.24071 -0.41899 0.77928 0.26929 152 3PZ -0.12371 -0.32208 0.05227 -0.09974 -0.60554 153 4XX 0.02309 0.01937 -0.01657 0.03120 0.01820 154 4YY -0.03209 -0.03841 -0.02948 -0.03287 -0.01896 155 4ZZ -0.04528 -0.03172 0.02869 0.01836 0.00443 156 4XY 0.03573 0.02200 0.02096 -0.01393 -0.02053 157 4XZ 0.06398 0.05146 -0.02260 -0.00479 0.01100 158 4YZ 0.01043 0.03641 0.02622 -0.01150 -0.01806 159 15 C 1S 0.02272 0.02009 -0.00855 -0.02350 -0.02650 160 2S -0.06283 -0.14303 -0.12596 -0.22438 0.02163 161 2PX 0.22281 -0.05247 -0.48300 -0.08635 0.26878 162 2PY -0.28197 -0.11764 -0.06841 0.17161 -0.07911 163 2PZ -0.12526 -0.25653 -0.26106 0.06171 0.15187 164 3S -0.04277 0.00222 0.11451 0.67815 0.29993 165 3PX -0.20278 0.31786 0.61809 -0.09038 -0.61214 166 3PY 0.30419 -0.24566 0.23562 -0.20022 -0.08313 167 3PZ 0.02960 -0.02273 0.09276 0.11179 0.09990 168 4XX -0.01049 0.00334 0.01419 -0.02510 -0.02656 169 4YY 0.02649 -0.01767 -0.00208 -0.04678 -0.01837 170 4ZZ 0.00416 0.00113 -0.06271 0.00923 0.02944 171 4XY -0.01574 -0.00175 0.02485 -0.01472 0.01088 172 4XZ -0.01684 -0.01561 0.04339 0.03450 0.01496 173 4YZ 0.02139 0.00083 0.02869 0.02737 0.00048 174 16 H 1S 0.01190 -0.03921 -0.20328 -0.23062 0.06894 175 2S -0.00122 0.13846 -0.08631 0.12433 -0.16924 176 17 H 1S -0.23810 0.16206 -0.10914 -0.05822 0.02449 177 2S 0.00972 0.03566 0.24763 -0.31264 0.05975 178 18 H 1S -0.01298 -0.06848 -0.15672 0.00545 -0.03359 179 2S -0.01875 -0.01969 -0.09259 0.12484 -0.13525 180 19 H 1S -0.01228 0.06777 -0.15710 0.00692 0.03266 181 2S -0.01635 0.01742 -0.09272 0.12570 0.13459 182 20 H 1S -0.23770 -0.16268 -0.10812 -0.06099 -0.02548 183 2S 0.00750 -0.02933 0.24781 -0.31286 -0.05829 184 21 H 1S 0.01045 0.04222 -0.20340 -0.22969 -0.06992 185 2S 0.00153 -0.14088 -0.08613 0.12119 0.16871 186 22 H 1S 0.02484 -0.02306 -0.06157 0.03817 -0.04348 187 2S 0.03075 -0.10438 -0.06906 0.06431 -0.16959 188 23 H 1S 0.02427 0.02198 -0.06174 0.03847 0.04348 189 2S 0.03024 0.10343 -0.07077 0.06648 0.16999 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71284 0.72293 0.74095 1 1 C 1S 0.00162 -0.01347 0.00633 -0.01659 -0.00628 2 2S -0.09394 0.02682 -0.16133 -0.11897 -0.33807 3 2PX 0.29316 0.08915 -0.01210 0.09337 0.31784 4 2PY 0.09445 -0.20671 -0.16833 -0.02608 0.38082 5 2PZ 0.10979 -0.05408 -0.22014 0.06884 -0.00982 6 3S 0.51410 -0.34669 0.49659 0.50405 1.87018 7 3PX -0.68327 -0.25226 -0.15950 -0.02666 -1.00355 8 3PY -0.32341 0.69158 0.38017 0.19733 -1.04118 9 3PZ -0.05538 -0.03085 0.45844 0.00826 0.60636 10 4XX -0.01611 0.03514 0.03098 -0.02271 -0.01318 11 4YY 0.01973 -0.03980 0.00450 -0.01107 0.05507 12 4ZZ 0.00313 -0.00453 -0.03595 0.00311 -0.02749 13 4XY -0.00423 0.00345 -0.03105 -0.02831 -0.01744 14 4XZ -0.00649 -0.00722 -0.00866 0.00055 -0.00355 15 4YZ 0.00045 0.00719 -0.00736 0.00890 0.00512 16 2 C 1S -0.00156 0.01344 0.00639 -0.01665 0.00626 17 2S 0.09464 -0.02739 -0.16178 -0.11932 0.33714 18 2PX -0.29383 -0.08898 -0.01262 0.09469 -0.32075 19 2PY 0.09446 -0.20707 0.16797 0.02536 0.38137 20 2PZ -0.10997 0.05356 -0.22095 0.06993 0.00932 21 3S -0.51672 0.34690 0.50014 0.50555 -1.86992 22 3PX 0.68363 0.25153 -0.15917 -0.02973 1.00726 23 3PY -0.32245 0.69211 -0.37584 -0.19822 -1.04114 24 3PZ 0.05471 0.03237 0.46054 0.00605 -0.60818 25 4XX 0.01618 -0.03510 0.03092 -0.02277 0.01329 26 4YY -0.01972 0.03969 0.00468 -0.01103 -0.05514 27 4ZZ -0.00311 0.00449 -0.03591 0.00302 0.02722 28 4XY -0.00437 0.00341 0.03106 0.02841 -0.01778 29 4XZ 0.00651 0.00721 -0.00862 0.00054 0.00397 30 4YZ 0.00051 0.00725 0.00744 -0.00894 0.00437 31 3 C 1S 0.00001 -0.00001 -0.00782 -0.00063 0.00011 32 2S 0.00015 -0.00038 -0.02795 0.03197 0.00095 33 2PX 0.00018 -0.00009 0.14194 -0.04273 0.00043 34 2PY 0.00691 -0.11709 -0.00032 0.00006 -0.00315 35 2PZ 0.00028 -0.00033 0.19915 -0.00978 0.00029 36 3S -0.00044 0.00079 0.07493 -0.03184 -0.00217 37 3PX -0.00029 -0.00001 -0.55957 0.11937 -0.00014 38 3PY -0.02808 0.23150 0.00032 0.00011 -0.09587 39 3PZ -0.00113 0.00086 -0.30166 0.09418 -0.00210 40 4XX -0.00001 -0.00002 -0.01675 0.00897 0.00008 41 4YY -0.00003 0.00000 0.00978 0.02203 0.00022 42 4ZZ 0.00006 -0.00005 0.00297 -0.01697 0.00005 43 4XY 0.01310 0.01828 0.00005 -0.00003 0.02574 44 4XZ 0.00006 -0.00002 -0.03376 -0.01116 0.00009 45 4YZ -0.00173 -0.01541 0.00000 0.00004 -0.01046 46 4 O 1S 0.00049 0.00502 0.00676 0.00639 0.00804 47 2S 0.03374 -0.00170 -0.02274 0.00864 0.04054 48 2PX 0.05320 0.09547 0.18958 0.02519 0.09206 49 2PY -0.02574 -0.10278 -0.10313 -0.06955 -0.07035 50 2PZ 0.00904 0.10305 0.08273 0.01036 0.05292 51 3S -0.25024 -0.25298 -0.28647 -0.18743 -0.61497 52 3PX -0.04254 -0.08572 -0.22146 -0.10712 -0.24738 53 3PY 0.05019 0.05931 0.07797 0.06083 0.16514 54 3PZ 0.06203 -0.02930 0.03336 0.01407 0.09677 55 4XX 0.00805 -0.02377 -0.04356 0.00606 0.00337 56 4YY 0.00439 0.01182 -0.00041 -0.00064 -0.00710 57 4ZZ 0.00239 -0.00410 0.00698 0.00565 0.02208 58 4XY 0.00572 -0.00624 0.00981 0.00274 0.02697 59 4XZ 0.01984 0.01619 0.02282 0.00366 0.03058 60 4YZ -0.02319 0.00587 -0.00950 -0.01704 -0.04018 61 5 H 1S 0.02645 -0.17415 0.04801 -0.06128 -0.07926 62 2S 0.06697 -0.13556 0.01313 -0.06253 0.39599 63 6 H 1S -0.02562 0.17386 0.04841 -0.06215 0.07766 64 2S -0.06719 0.13607 0.01519 -0.06355 -0.39484 65 7 H 1S 0.00044 -0.00018 -0.08947 -0.09413 0.00078 66 2S 0.00055 -0.00041 0.25195 0.00821 0.00164 67 8 O 1S -0.00053 -0.00500 0.00674 0.00641 -0.00808 68 2S -0.03344 0.00134 -0.02272 0.00862 -0.03993 69 2PX -0.05321 -0.09549 0.18937 0.02554 -0.09325 70 2PY -0.02628 -0.10250 0.10289 0.06973 -0.06993 71 2PZ -0.00887 -0.10339 0.08236 0.01099 -0.05243 72 3S 0.25058 0.25306 -0.28651 -0.18845 0.61548 73 3PX 0.04295 0.08556 -0.22122 -0.10770 0.24859 74 3PY 0.05066 0.05893 -0.07835 -0.06097 0.16576 75 3PZ -0.06211 0.02954 0.03327 0.01431 -0.09719 76 4XX -0.00799 0.02364 -0.04352 0.00606 -0.00319 77 4YY -0.00419 -0.01195 -0.00051 -0.00071 0.00742 78 4ZZ -0.00240 0.00405 0.00702 0.00572 -0.02203 79 4XY 0.00579 -0.00620 -0.00998 -0.00274 0.02691 80 4XZ -0.01988 -0.01615 0.02287 0.00370 -0.03074 81 4YZ -0.02327 0.00578 0.00949 0.01716 -0.04014 82 9 H 1S 0.00016 -0.00010 -0.21844 -0.02982 0.00082 83 2S -0.00021 -0.00009 -0.28142 0.08691 -0.00009 84 10 C 1S 0.04391 0.04066 -0.02178 -0.00069 0.02264 85 2S -0.18397 0.01587 -0.19132 0.03963 -0.11400 86 2PX 0.42783 -0.01932 0.02962 0.14995 -0.36896 87 2PY -0.24092 -0.19989 -0.18973 0.00885 -0.10092 88 2PZ 0.16946 0.06692 0.12695 0.11393 -0.23554 89 3S 0.67987 0.05679 -0.49848 0.33141 0.36478 90 3PX -0.68442 0.01985 0.18052 -0.43879 0.95638 91 3PY 0.61348 -0.00943 0.28711 -0.07998 0.15629 92 3PZ -0.27598 -0.18058 -0.44554 -0.18062 0.41045 93 4XX -0.01811 0.00019 -0.01705 -0.00210 -0.00077 94 4YY 0.05577 0.03381 -0.03674 0.00929 0.01797 95 4ZZ 0.00469 0.01637 -0.01255 0.00320 -0.01684 96 4XY 0.00616 -0.00960 -0.05110 0.03836 0.00909 97 4XZ -0.04062 -0.04481 0.05949 -0.00279 -0.01312 98 4YZ -0.01271 0.00697 0.03754 -0.01355 -0.00679 99 11 C 1S -0.01595 0.00040 0.01539 0.00173 0.01016 100 2S 0.13175 0.19978 -0.31518 -0.15373 0.06348 101 2PX 0.20746 0.02780 -0.21993 -0.28050 0.33279 102 2PY 0.09167 0.22014 -0.38871 0.10264 -0.03186 103 2PZ -0.16076 -0.02577 0.03704 -0.57873 0.07538 104 3S -0.52108 -0.56615 0.75350 0.51641 0.17942 105 3PX 0.05377 -0.06070 0.79394 0.18778 -0.62537 106 3PY -0.31284 -0.59662 0.95318 -0.29004 0.04566 107 3PZ 0.20066 0.12222 -0.14050 1.37141 -0.12558 108 4XX 0.03424 0.01575 -0.00043 0.00463 -0.00746 109 4YY -0.02156 0.01498 0.02486 -0.04492 -0.00844 110 4ZZ -0.01794 -0.02118 -0.01897 0.02179 0.03452 111 4XY -0.01046 0.01119 -0.00622 -0.01325 0.01551 112 4XZ 0.03367 -0.00776 -0.01106 -0.00161 -0.00880 113 4YZ 0.02063 -0.02492 -0.01122 0.01095 0.00461 114 12 C 1S -0.01274 0.02763 0.00405 -0.02147 -0.00421 115 2S 0.06140 -0.31586 -0.10735 0.11661 0.02061 116 2PX -0.07104 0.01420 0.09499 0.04715 -0.06436 117 2PY 0.29699 -0.45397 0.08291 -0.29118 -0.06808 118 2PZ 0.11988 0.24313 -0.14139 -0.10943 -0.12238 119 3S -0.24918 1.09483 0.30044 -0.91075 0.10174 120 3PX 0.11623 0.11567 -0.30765 -0.18947 0.20465 121 3PY -0.62663 1.47272 -0.39017 0.66604 0.24905 122 3PZ -0.33525 -0.97793 0.40988 0.37471 0.37971 123 4XX 0.01799 -0.00982 -0.02299 0.03436 -0.00562 124 4YY -0.02986 0.03737 0.01027 -0.01435 0.00681 125 4ZZ 0.00502 -0.02594 0.00641 -0.04539 -0.00219 126 4XY -0.00139 0.00090 -0.01803 0.02755 0.00030 127 4XZ 0.00006 0.01836 0.01221 0.00582 -0.00845 128 4YZ -0.00871 0.00213 -0.06662 0.00371 0.00204 129 13 C 1S 0.01275 -0.02764 0.00405 -0.02145 0.00393 130 2S -0.06139 0.31574 -0.10750 0.11673 -0.02074 131 2PX 0.07081 -0.01406 0.09366 0.04708 0.06427 132 2PY 0.29709 -0.45322 -0.08276 0.29209 -0.06544 133 2PZ -0.11994 -0.24334 -0.14106 -0.11029 0.11903 134 3S 0.24939 -1.09504 0.30128 -0.91110 -0.11028 135 3PX -0.11523 -0.11573 -0.30383 -0.18934 -0.20532 136 3PY -0.62653 1.47015 0.38829 -0.66742 0.24461 137 3PZ 0.33551 0.97953 0.40900 0.37800 -0.36853 138 4XX -0.01802 0.00982 -0.02290 0.03434 0.00578 139 4YY 0.02992 -0.03746 0.01011 -0.01431 -0.00694 140 4ZZ -0.00502 0.02598 0.00649 -0.04538 0.00162 141 4XY -0.00150 0.00093 0.01798 -0.02750 0.00004 142 4XZ -0.00001 -0.01831 0.01206 0.00580 0.00865 143 4YZ -0.00852 0.00188 0.06657 -0.00359 0.00276 144 14 C 1S 0.01597 -0.00039 0.01539 0.00180 -0.01016 145 2S -0.13225 -0.19968 -0.31497 -0.15322 -0.06696 146 2PX -0.20654 -0.02803 -0.22110 -0.27835 -0.32888 147 2PY 0.09189 0.21985 0.38878 -0.10153 -0.03016 148 2PZ 0.16131 0.02626 0.03817 -0.57853 -0.08166 149 3S 0.52306 0.56507 0.74998 0.51933 -0.17286 150 3PX -0.05504 0.06065 0.79458 0.18579 0.61687 151 3PY -0.31450 -0.59504 -0.95142 0.28592 0.04328 152 3PZ -0.20234 -0.12264 -0.14230 1.37122 0.14171 153 4XX -0.03424 -0.01573 -0.00044 0.00461 0.00732 154 4YY 0.02155 -0.01494 0.02477 -0.04479 0.00810 155 4ZZ 0.01796 0.02115 -0.01897 0.02198 -0.03445 156 4XY -0.01042 0.01115 0.00605 0.01332 0.01605 157 4XZ -0.03372 0.00785 -0.01100 -0.00165 0.00923 158 4YZ 0.02063 -0.02494 0.01132 -0.01111 0.00445 159 15 C 1S -0.04386 -0.04069 -0.02181 -0.00063 -0.02235 160 2S 0.18420 -0.01615 -0.19123 0.03946 0.11249 161 2PX -0.42801 0.01929 0.02947 0.14731 0.36962 162 2PY -0.24140 -0.19969 0.19037 -0.00933 -0.10304 163 2PZ -0.17011 -0.06735 0.12755 0.11204 0.23353 164 3S -0.68059 -0.05508 -0.49678 0.32996 -0.35601 165 3PX 0.68511 -0.02013 0.17893 -0.43183 -0.95892 166 3PY 0.61446 -0.00957 -0.28697 0.08011 0.16158 167 3PZ 0.27712 0.18117 -0.44450 -0.17894 -0.40760 168 4XX 0.01810 -0.00022 -0.01730 -0.00198 0.00087 169 4YY -0.05562 -0.03390 -0.03645 0.00914 -0.01773 170 4ZZ -0.00476 -0.01633 -0.01257 0.00318 0.01668 171 4XY 0.00629 -0.00963 0.05104 -0.03839 0.00892 172 4XZ 0.04064 0.04480 0.05965 -0.00288 0.01277 173 4YZ -0.01272 0.00705 -0.03756 0.01360 -0.00647 174 16 H 1S 0.15115 0.17440 -0.03562 -0.04068 0.03806 175 2S 0.04231 -0.24945 -0.17718 0.10267 -0.11792 176 17 H 1S -0.14262 0.13509 0.05765 -0.09203 -0.02617 177 2S 0.00318 -0.13483 0.31172 -0.05844 0.02146 178 18 H 1S -0.02422 0.14090 -0.07641 0.01332 -0.05568 179 2S -0.07955 0.35714 -0.19713 -0.08518 0.07212 180 19 H 1S 0.02432 -0.14075 -0.07569 0.01257 0.05449 181 2S 0.07953 -0.35720 -0.19567 -0.08572 -0.07407 182 20 H 1S 0.14283 -0.13525 0.05766 -0.09188 0.02489 183 2S -0.00271 0.13431 0.31147 -0.05792 -0.02036 184 21 H 1S -0.15096 -0.17458 -0.03543 -0.04067 -0.03635 185 2S -0.04264 0.24960 -0.17616 0.10160 0.11758 186 22 H 1S -0.02151 0.19705 0.07271 -0.18951 0.00142 187 2S -0.05739 0.36681 -0.28905 0.09197 -0.09327 188 23 H 1S 0.02141 -0.19727 0.07231 -0.18897 -0.00312 189 2S 0.05668 -0.36625 -0.28872 0.09077 0.08979 86 87 88 89 90 V V V V V Eigenvalues -- 0.75191 0.77536 0.79576 0.79877 0.81068 1 1 C 1S 0.00560 -0.01485 0.00130 -0.00878 -0.00522 2 2S -0.00392 0.01748 0.27284 0.08698 0.14377 3 2PX -0.28268 0.13365 -0.14412 0.02084 -0.03722 4 2PY -0.06024 -0.10197 -0.08192 -0.32639 0.01287 5 2PZ -0.11458 0.16758 0.20702 0.31018 0.05131 6 3S -0.22534 0.44892 -0.10492 -0.86619 -0.18044 7 3PX 0.33699 -0.20205 0.32158 0.36926 0.11922 8 3PY 0.06371 0.50934 0.26055 1.44668 -0.02953 9 3PZ -0.01013 -0.29288 -0.37431 -0.98168 -0.01491 10 4XX 0.00334 -0.00235 -0.01616 0.01494 0.01455 11 4YY 0.00741 0.02476 0.04167 -0.05783 0.01668 12 4ZZ -0.02558 -0.03929 -0.00122 0.00845 -0.02625 13 4XY 0.01254 -0.03743 -0.04755 0.00368 -0.00156 14 4XZ 0.03420 0.04471 -0.02654 -0.01029 -0.01019 15 4YZ 0.04434 0.01539 0.05753 -0.00347 0.01670 16 2 C 1S 0.00558 -0.01480 0.00115 0.00869 -0.00522 17 2S -0.00927 0.01770 0.27543 -0.08191 0.14351 18 2PX -0.27913 0.13299 -0.14434 -0.02190 -0.03754 19 2PY 0.05384 0.10343 0.08911 -0.32466 -0.01262 20 2PZ -0.11595 0.16926 0.21435 -0.30476 0.05052 21 3S -0.19514 0.44137 -0.12768 0.86602 -0.17978 22 3PX 0.32343 -0.19636 0.33189 -0.36417 0.11930 23 3PY -0.04327 -0.51697 -0.29305 1.43964 0.02938 24 3PZ 0.00299 -0.30093 -0.39920 0.97466 -0.01201 25 4XX 0.00305 -0.00249 -0.01588 -0.01545 0.01449 26 4YY 0.00860 0.02444 0.04051 0.05853 0.01669 27 4ZZ -0.02614 -0.03917 -0.00113 -0.00826 -0.02620 28 4XY -0.01236 0.03734 0.04752 0.00466 0.00162 29 4XZ 0.03424 0.04490 -0.02660 0.00981 -0.01021 30 4YZ -0.04433 -0.01520 -0.05733 -0.00441 -0.01655 31 3 C 1S 0.01848 0.04863 -0.04328 -0.00041 -0.00670 32 2S 0.14062 0.18588 0.30346 0.00324 0.07931 33 2PX 0.00293 -0.23790 -0.30581 -0.00392 0.52089 34 2PY 0.00003 0.00032 0.00038 -0.03514 -0.00053 35 2PZ -0.03255 -0.29835 -0.13080 -0.00206 0.54490 36 3S -0.28993 -0.54477 -0.33280 -0.00409 -0.07983 37 3PX 0.17792 1.11613 0.89996 0.01108 -0.98045 38 3PY 0.00077 -0.00065 -0.00051 0.07327 0.00129 39 3PZ -0.18596 0.59072 0.07389 0.00294 -1.15886 40 4XX -0.00498 0.09614 -0.12710 -0.00130 0.12272 41 4YY 0.04202 0.04469 0.11340 0.00110 0.02774 42 4ZZ 0.01957 -0.04299 0.01539 0.00022 -0.14228 43 4XY -0.00018 0.00002 -0.00002 -0.00190 -0.00001 44 4XZ 0.01848 0.03502 0.02833 0.00029 0.01315 45 4YZ 0.00008 0.00010 0.00010 -0.00206 0.00021 46 4 O 1S -0.00233 0.00479 0.01089 0.00269 0.00366 47 2S 0.03286 0.20389 -0.12865 0.00734 -0.03416 48 2PX -0.11674 -0.16428 0.11404 0.09543 -0.05606 49 2PY -0.05461 -0.07761 -0.16263 -0.01728 -0.03905 50 2PZ 0.04594 0.10394 -0.06086 0.13433 -0.09391 51 3S 0.09208 -0.47980 0.21187 0.13222 0.07250 52 3PX 0.14248 -0.04490 -0.13133 -0.04766 0.14500 53 3PY 0.00947 0.00253 0.15005 -0.08469 0.04939 54 3PZ -0.08680 -0.10569 0.00633 -0.07976 0.17226 55 4XX 0.02028 0.04566 0.02142 0.00067 -0.03055 56 4YY -0.00062 0.05642 -0.09140 0.03210 -0.02223 57 4ZZ 0.01102 0.08590 -0.03357 -0.01185 0.03290 58 4XY 0.01704 0.00923 0.03680 -0.02994 -0.03037 59 4XZ -0.02309 -0.01173 -0.05235 -0.01387 -0.01923 60 4YZ 0.00389 -0.03781 -0.00793 0.00408 -0.03301 61 5 H 1S -0.17292 -0.27573 -0.17702 0.00922 -0.05847 62 2S 0.20133 -0.17382 -0.05751 -0.86479 0.13275 63 6 H 1S -0.17364 -0.27526 -0.17662 -0.01276 -0.05797 64 2S 0.21014 -0.17939 -0.07819 0.86257 0.13334 65 7 H 1S 0.17110 0.08915 -0.07397 -0.00048 -0.57007 66 2S 0.10710 -0.21361 -0.17863 -0.00348 1.38388 67 8 O 1S -0.00224 0.00474 0.01092 -0.00246 0.00367 68 2S 0.03377 0.20348 -0.12891 -0.00933 -0.03459 69 2PX -0.11573 -0.16480 0.11546 -0.09338 -0.05648 70 2PY 0.05515 0.07728 0.16298 -0.01433 0.03943 71 2PZ 0.04641 0.10392 -0.05801 -0.13564 -0.09438 72 3S 0.08256 -0.47602 0.21735 -0.12907 0.07253 73 3PX 0.13905 -0.04329 -0.13136 0.04480 0.14481 74 3PY -0.01172 -0.00123 -0.14785 -0.08747 -0.04997 75 3PZ -0.08561 -0.10599 0.00464 0.07987 0.17266 76 4XX 0.02045 0.04565 0.02133 0.00007 -0.03070 77 4YY -0.00074 0.05626 -0.09083 -0.03376 -0.02242 78 4ZZ 0.01150 0.08578 -0.03391 0.01130 0.03287 79 4XY -0.01746 -0.00906 -0.03597 -0.03071 0.03034 80 4XZ -0.02273 -0.01182 -0.05279 0.01278 -0.01906 81 4YZ -0.00338 0.03765 0.00760 0.00415 0.03288 82 9 H 1S 0.10145 0.57508 -0.60208 -0.00608 0.47744 83 2S 0.15633 0.46882 1.17281 0.01362 -1.23684 84 10 C 1S 0.02601 -0.00431 0.01009 0.00290 0.00892 85 2S -0.18217 0.00495 0.02000 0.10297 -0.01134 86 2PX 0.00121 -0.01288 -0.15207 -0.01078 -0.07045 87 2PY 0.17882 -0.09374 0.06994 0.41364 0.05537 88 2PZ -0.20762 0.05859 -0.01422 -0.05146 0.00647 89 3S 0.62702 -0.79443 0.01028 -1.19814 0.04414 90 3PX -0.02285 0.23261 0.19673 0.74168 0.09289 91 3PY -0.45268 0.33685 -0.07867 -0.93593 -0.05646 92 3PZ 0.28264 -0.28193 -0.05771 -0.46378 -0.08892 93 4XX 0.01617 -0.00722 0.01205 0.02301 -0.00280 94 4YY 0.00594 -0.01573 0.00027 -0.05600 -0.00178 95 4ZZ -0.01684 0.00738 -0.00291 0.02458 0.01075 96 4XY -0.00137 -0.03612 -0.02548 0.00639 -0.01298 97 4XZ -0.03191 0.01430 -0.02362 -0.01585 -0.01707 98 4YZ -0.01577 0.05234 0.02067 -0.01715 0.01235 99 11 C 1S -0.00370 -0.00521 -0.00427 -0.01251 -0.00368 100 2S -0.17685 -0.08615 0.11540 0.14922 -0.00325 101 2PX 0.41493 -0.21894 -0.10775 0.33311 -0.05408 102 2PY -0.22921 -0.15282 0.07299 -0.01419 0.06693 103 2PZ -0.27925 0.08663 -0.02583 0.12281 -0.06020 104 3S 0.19978 0.49454 -0.00239 0.06598 0.16064 105 3PX -0.68782 0.69032 0.20387 -0.06474 0.08279 106 3PY 0.47459 0.59509 0.02043 0.41708 -0.08742 107 3PZ 0.77628 -0.48881 0.11204 -0.62571 0.13367 108 4XX -0.02376 -0.01253 -0.01300 0.01373 0.00267 109 4YY -0.00039 0.00937 0.02427 0.03483 0.00564 110 4ZZ -0.00110 0.00545 0.00021 -0.03131 -0.01212 111 4XY -0.03339 0.02527 0.01076 -0.02754 -0.00241 112 4XZ 0.03604 0.00907 -0.00042 -0.01371 -0.00642 113 4YZ 0.01607 -0.00936 -0.00108 0.00126 -0.00256 114 12 C 1S -0.01427 0.00142 0.01015 0.00349 0.00156 115 2S -0.07872 0.05380 0.08859 -0.05312 0.13026 116 2PX -0.00025 0.01242 0.00028 0.02209 -0.23486 117 2PY -0.08117 0.14017 0.02993 0.15131 -0.02941 118 2PZ -0.19736 0.00092 0.01112 0.04129 -0.00194 119 3S -0.21735 0.31056 -0.24717 -0.06683 -0.33366 120 3PX -0.06942 -0.22187 -0.12221 -0.27162 0.25461 121 3PY 0.02944 -0.42613 0.08791 -0.90700 0.14428 122 3PZ 0.70940 -0.01538 -0.13271 -0.16509 -0.05035 123 4XX -0.00974 -0.01232 0.01515 -0.03236 -0.00064 124 4YY -0.00108 0.03909 -0.00625 -0.01828 0.00522 125 4ZZ -0.02410 -0.00863 0.01085 0.04485 0.01804 126 4XY -0.00158 -0.01425 -0.05777 -0.01163 -0.06484 127 4XZ 0.01112 -0.03288 0.02101 0.05829 0.03926 128 4YZ -0.06531 -0.02028 -0.01702 -0.00422 -0.01556 129 13 C 1S -0.01434 0.00147 0.01027 -0.00325 0.00158 130 2S -0.07851 0.05360 0.08751 0.05612 0.13053 131 2PX -0.00278 0.01209 0.00144 -0.02123 -0.23610 132 2PY 0.08203 -0.14065 -0.03286 0.15102 0.02846 133 2PZ -0.19769 0.00075 0.01176 -0.03998 -0.00110 134 3S -0.21404 0.31013 -0.25076 0.05743 -0.33453 135 3PX -0.06085 -0.22093 -0.13046 0.26752 0.25962 136 3PY -0.03546 0.42893 -0.06911 -0.91115 -0.14060 137 3PZ 0.71059 -0.01418 -0.13337 0.15874 -0.05323 138 4XX -0.00970 -0.01240 0.01451 0.03279 -0.00051 139 4YY -0.00116 0.03899 -0.00662 0.01816 0.00517 140 4ZZ -0.02403 -0.00842 0.01173 -0.04467 0.01801 141 4XY 0.00157 0.01430 0.05798 -0.01047 0.06478 142 4XZ 0.01064 -0.03280 0.02235 -0.05807 0.03917 143 4YZ 0.06524 0.02031 0.01706 -0.00407 0.01547 144 14 C 1S -0.00360 -0.00522 -0.00456 0.01237 -0.00368 145 2S -0.17549 -0.08596 0.11805 -0.14622 -0.00292 146 2PX 0.41773 -0.21942 -0.10162 -0.33747 -0.05410 147 2PY 0.22993 0.15293 -0.07201 -0.01730 -0.06668 148 2PZ -0.27787 0.08789 -0.02347 -0.12397 -0.05915 149 3S 0.19437 0.49514 0.00366 -0.06405 0.15895 150 3PX -0.69670 0.69171 0.20491 0.07106 0.08191 151 3PY -0.47262 -0.59556 -0.03294 0.41772 0.08669 152 3PZ 0.77473 -0.49282 0.10049 0.63093 0.12940 153 4XX -0.02398 -0.01233 -0.01268 -0.01379 0.00264 154 4YY -0.00052 0.00933 0.02495 -0.03455 0.00559 155 4ZZ -0.00067 0.00540 -0.00043 0.03138 -0.01203 156 4XY 0.03291 -0.02534 -0.01026 -0.02794 0.00222 157 4XZ 0.03617 0.00896 -0.00083 0.01363 -0.00639 158 4YZ -0.01605 0.00942 0.00115 0.00118 0.00269 159 15 C 1S 0.02629 -0.00438 0.01009 -0.00275 0.00896 160 2S -0.18434 0.00566 0.02270 -0.10098 -0.01174 161 2PX -0.00206 -0.01341 -0.15232 0.00670 -0.07128 162 2PY -0.17608 0.09371 -0.07855 0.41231 -0.05397 163 2PZ -0.21046 0.05865 -0.01491 0.05241 0.00612 164 3S 0.63829 -0.79728 -0.01860 1.19602 0.04529 165 3PX -0.01755 0.23479 0.21310 -0.73676 0.09548 166 3PY 0.44876 -0.33662 0.09893 -0.93634 0.05337 167 3PZ 0.29178 -0.28253 -0.06995 0.45951 -0.08734 168 4XX 0.01609 -0.00737 0.01248 -0.02292 -0.00292 169 4YY 0.00624 -0.01553 -0.00081 0.05617 -0.00154 170 4ZZ -0.01703 0.00731 -0.00250 -0.02448 0.01061 171 4XY 0.00133 0.03615 0.02543 0.00676 0.01305 172 4XZ -0.03213 0.01449 -0.02375 0.01540 -0.01698 173 4YZ 0.01577 -0.05238 -0.02035 -0.01736 -0.01246 174 16 H 1S 0.18785 0.11677 0.15195 -0.07232 0.09808 175 2S -0.12521 -0.15345 -0.24083 -0.50206 -0.18148 176 17 H 1S -0.07028 0.02068 0.08857 -0.06178 0.03363 177 2S 0.19804 0.21997 -0.04060 0.12959 -0.09560 178 18 H 1S -0.13401 0.00790 -0.02711 -0.24499 -0.17476 179 2S -0.20020 -0.24886 0.11974 -0.14520 0.40795 180 19 H 1S -0.13391 0.00775 -0.03191 0.24547 -0.17416 181 2S -0.19695 -0.24873 0.11532 0.14716 0.40983 182 20 H 1S -0.07094 0.02070 0.08738 0.06347 0.03383 183 2S 0.19705 0.22078 -0.03630 -0.13124 -0.09517 184 21 H 1S 0.18859 0.11649 0.15027 0.07496 0.09824 185 2S -0.12472 -0.15323 -0.25180 0.49733 -0.18099 186 22 H 1S -0.04937 -0.00831 0.28048 0.21827 0.26177 187 2S -0.31893 0.06066 -0.05506 -0.23013 -0.26196 188 23 H 1S -0.05010 -0.00813 0.28483 -0.21273 0.26144 189 2S -0.31932 0.05944 -0.05977 0.23210 -0.26269 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84204 0.85443 0.86451 0.88061 1 1 C 1S -0.00557 0.01310 0.00604 -0.01812 -0.01112 2 2S 0.01097 -0.09022 -0.07051 0.16370 0.50773 3 2PX -0.16049 -0.04936 -0.02474 0.00009 0.05680 4 2PY -0.21276 -0.00356 -0.25687 0.16946 0.25800 5 2PZ -0.22418 0.06675 0.29161 -0.28219 -0.26234 6 3S -0.49636 0.22566 -0.51268 0.15159 -1.11204 7 3PX 0.46988 0.01268 0.26910 -0.03881 -0.20735 8 3PY 0.67126 0.04109 1.14592 -0.74993 -0.64035 9 3PZ 0.70404 -0.11318 -1.05111 0.96358 0.66144 10 4XX -0.00817 0.04406 -0.01366 0.03300 0.03617 11 4YY -0.03554 -0.02130 -0.04280 0.02812 0.02230 12 4ZZ 0.02521 0.01327 0.01389 -0.03291 0.01208 13 4XY -0.00269 -0.00429 0.00550 -0.00743 -0.06106 14 4XZ -0.00351 -0.06523 -0.00785 0.00098 0.00473 15 4YZ -0.01171 -0.03954 -0.01753 0.02239 0.06392 16 2 C 1S 0.00553 0.01306 -0.00613 0.01819 -0.01106 17 2S -0.01032 -0.08887 0.07031 -0.16398 0.50893 18 2PX 0.15977 -0.04949 0.02564 -0.00077 0.05762 19 2PY -0.21303 0.00232 -0.25633 0.16908 -0.25836 20 2PZ 0.22294 0.06457 -0.29134 0.28244 -0.26127 21 3S 0.49650 0.22627 0.51368 -0.15058 -1.11589 22 3PX -0.46844 0.01191 -0.27038 0.03991 -0.20967 23 3PY 0.67180 -0.03516 1.14352 -0.74837 0.63746 24 3PZ -0.70069 -0.10577 1.05240 -0.96481 0.65794 25 4XX 0.00822 0.04433 0.01352 -0.03281 0.03612 26 4YY 0.03568 -0.02121 0.04283 -0.02822 0.02250 27 4ZZ -0.02538 0.01333 -0.01397 0.03300 0.01197 28 4XY -0.00234 0.00445 0.00567 -0.00756 0.06119 29 4XZ 0.00372 -0.06528 0.00806 -0.00147 0.00488 30 4YZ -0.01163 0.03932 -0.01745 0.02249 -0.06378 31 3 C 1S 0.00008 -0.03051 0.00004 -0.00005 0.01445 32 2S 0.00017 -0.59681 0.00092 -0.00199 -0.09390 33 2PX 0.00124 -0.17577 -0.00015 -0.00034 0.01048 34 2PY -0.01729 0.00000 0.01736 0.05018 -0.00010 35 2PZ 0.00080 -0.18824 0.00009 -0.00076 -0.07998 36 3S -0.00010 1.37901 -0.00212 0.00471 0.35957 37 3PX -0.00200 0.66886 0.00045 0.00164 0.14500 38 3PY 0.02806 -0.00008 -0.07677 -0.08527 0.00089 39 3PZ -0.00248 0.38175 0.00025 0.00113 -0.06891 40 4XX 0.00027 0.03383 0.00001 0.00006 0.00603 41 4YY 0.00015 -0.03078 0.00008 -0.00010 0.02718 42 4ZZ -0.00024 -0.08749 0.00004 -0.00017 -0.00005 43 4XY -0.00196 -0.00002 0.00514 0.02283 -0.00014 44 4XZ 0.00010 -0.00031 0.00000 0.00003 0.04130 45 4YZ -0.01321 0.00011 0.00650 -0.01568 -0.00014 46 4 O 1S 0.00238 0.00787 -0.00257 0.00555 0.01244 47 2S -0.06255 -0.25696 -0.07287 0.04045 0.02664 48 2PX -0.06087 0.11463 -0.02370 0.03479 0.04278 49 2PY -0.04046 -0.16445 -0.01459 -0.06106 -0.12147 50 2PZ -0.06613 -0.17215 -0.01494 0.05657 0.02594 51 3S 0.00250 0.07329 0.34640 -0.21109 -0.26353 52 3PX -0.04174 -0.21768 0.09163 -0.12951 -0.10970 53 3PY 0.00273 0.33310 -0.07991 0.14872 0.35097 54 3PZ -0.01078 0.08180 0.06603 -0.10965 -0.06815 55 4XX -0.02113 -0.09695 -0.02543 -0.00581 0.02674 56 4YY -0.00191 -0.08528 -0.00183 0.01495 -0.03009 57 4ZZ -0.02899 -0.06055 -0.03101 0.02647 0.02899 58 4XY -0.00185 -0.04635 -0.02079 0.02504 0.00431 59 4XZ 0.01728 0.02517 0.00437 -0.02144 -0.01464 60 4YZ 0.00587 0.01655 0.00428 0.00007 -0.01256 61 5 H 1S 0.08058 0.10675 0.17382 -0.29603 -0.25868 62 2S 0.10236 -0.30037 -1.03391 1.00951 1.13610 63 6 H 1S -0.08124 0.10550 -0.17436 0.29693 -0.25811 64 2S -0.10024 -0.29355 1.03408 -1.01091 1.13420 65 7 H 1S -0.00036 -0.26635 -0.00004 -0.00002 0.15197 66 2S 0.00256 -0.39482 0.00025 -0.00197 -0.15719 67 8 O 1S -0.00234 0.00791 0.00258 -0.00553 0.01244 68 2S 0.06299 -0.25657 0.07362 -0.04200 0.02716 69 2PX 0.06055 0.11500 0.02342 -0.03429 0.04194 70 2PY -0.03986 0.16513 -0.01488 -0.05983 0.12096 71 2PZ 0.06631 -0.17169 0.01531 -0.05757 0.02522 72 3S -0.00368 0.07150 -0.34765 0.21209 -0.26310 73 3PX 0.04215 -0.21867 -0.09148 0.12849 -0.10861 74 3PY 0.00191 -0.33441 -0.07939 0.14656 -0.35008 75 3PZ 0.01079 0.08069 -0.06621 0.11013 -0.06722 76 4XX 0.02113 -0.09697 0.02569 0.00524 0.02675 77 4YY 0.00189 -0.08507 0.00201 -0.01539 -0.02996 78 4ZZ 0.02939 -0.06045 0.03131 -0.02698 0.02939 79 4XY -0.00176 0.04613 -0.02091 0.02530 -0.00418 80 4XZ -0.01740 0.02518 -0.00446 0.02164 -0.01481 81 4YZ 0.00603 -0.01662 0.00432 -0.00006 0.01249 82 9 H 1S 0.00142 0.03506 0.00014 0.00025 0.07698 83 2S -0.00279 -0.04145 0.00083 -0.00043 -0.07058 84 10 C 1S 0.01252 0.00742 -0.02294 -0.00881 -0.01518 85 2S -0.13019 -0.05252 0.05672 0.18437 0.32646 86 2PX -0.04692 0.08960 0.20718 0.12133 0.21624 87 2PY -0.15732 -0.05228 -0.41024 0.00747 -0.21220 88 2PZ -0.15118 -0.08481 -0.50886 -0.14789 -0.31998 89 3S 0.51826 -0.44960 1.39821 -0.44447 -0.69535 90 3PX 0.14626 -0.06212 -1.00493 -0.16365 -0.50030 91 3PY 0.33052 0.38303 1.90883 0.43938 0.43491 92 3PZ 0.87637 0.24679 1.78229 0.55393 0.65762 93 4XX -0.01220 0.01694 -0.00081 0.01960 0.00460 94 4YY 0.01564 -0.02275 0.07399 0.00886 0.02110 95 4ZZ 0.00367 -0.00325 -0.02509 0.00459 0.02003 96 4XY -0.00734 0.01088 0.02278 0.00074 0.06055 97 4XZ -0.01638 -0.01266 0.02858 -0.00397 0.02752 98 4YZ 0.01604 0.04140 -0.02372 -0.00136 -0.04468 99 11 C 1S -0.00197 0.00718 -0.00751 -0.00076 0.00265 100 2S 0.10227 0.10689 0.08898 0.16366 0.10736 101 2PX 0.12933 0.06548 0.00946 0.08930 -0.07404 102 2PY 0.17431 -0.05065 -0.00827 0.09154 0.05263 103 2PZ 0.30228 0.03872 0.01399 0.21717 -0.02485 104 3S -1.32044 -0.35572 -0.73659 -0.80478 -0.42553 105 3PX -0.66960 0.13226 -0.15217 0.31728 -0.01721 106 3PY -0.64659 0.02450 -0.58127 -0.31304 -0.31713 107 3PZ -1.45857 -0.65384 -0.10345 -0.98856 -0.13637 108 4XX -0.02336 -0.03776 0.02424 -0.01873 -0.00818 109 4YY 0.02323 0.00511 -0.06667 0.02652 0.01587 110 4ZZ -0.02710 0.05426 0.03689 0.00016 -0.00729 111 4XY 0.02859 0.01243 -0.03624 0.01198 -0.01115 112 4XZ 0.02591 0.01193 0.00296 0.00974 -0.01907 113 4YZ -0.00485 -0.00138 0.02479 0.01357 0.01322 114 12 C 1S 0.00425 -0.02738 0.01108 -0.00285 0.00147 115 2S -0.03675 0.15814 -0.09044 0.01908 -0.21303 116 2PX -0.44495 -0.14964 0.10382 0.52705 -0.14722 117 2PY 0.27012 -0.00870 -0.08185 0.16906 0.08242 118 2PZ 0.19336 -0.03925 -0.05177 0.28763 -0.07611 119 3S 0.28346 0.53380 0.55326 0.24016 0.68276 120 3PX 1.76296 0.17329 -0.19882 -1.45891 0.23497 121 3PY -1.12481 -0.41150 0.23559 -0.90758 -0.27284 122 3PZ -1.14769 0.00548 0.22278 -1.26095 0.15215 123 4XX 0.01211 -0.05659 0.00749 0.00049 -0.03146 124 4YY -0.02302 0.07260 0.00052 -0.01246 -0.01310 125 4ZZ 0.01971 0.00383 0.00265 0.01621 0.02252 126 4XY -0.00126 -0.00792 0.00340 0.01742 -0.00939 127 4XZ -0.03402 -0.05668 -0.02078 -0.05674 -0.00015 128 4YZ 0.00499 0.03144 0.00383 0.00876 -0.02740 129 13 C 1S -0.00420 -0.02744 -0.01104 0.00271 0.00153 130 2S 0.03650 0.15814 0.09070 -0.01937 -0.21497 131 2PX 0.44348 -0.14634 -0.10358 -0.52904 -0.14354 132 2PY 0.27051 0.00820 -0.08185 0.16920 -0.08339 133 2PZ -0.19334 -0.03764 0.05209 -0.28762 -0.07840 134 3S -0.28442 0.53507 -0.55586 -0.23387 0.69231 135 3PX -1.75990 0.16307 0.19828 1.46291 0.22708 136 3PY -1.12696 0.41282 0.23455 -0.90677 0.27290 137 3PZ 1.14828 0.00049 -0.22328 1.25852 0.15847 138 4XX -0.01208 -0.05675 -0.00729 -0.00088 -0.03150 139 4YY 0.02298 0.07268 -0.00061 0.01259 -0.01341 140 4ZZ -0.01968 0.00387 -0.00277 -0.01600 0.02284 141 4XY -0.00131 0.00786 0.00341 0.01745 0.00906 142 4XZ 0.03427 -0.05683 0.02084 0.05657 -0.00066 143 4YZ 0.00532 -0.03143 0.00386 0.00886 0.02800 144 14 C 1S 0.00194 0.00723 0.00748 0.00090 0.00314 145 2S -0.10196 0.10686 -0.08940 -0.16318 0.10047 146 2PX -0.12940 0.06483 -0.01018 -0.08876 -0.07280 147 2PY 0.17682 0.05013 -0.00862 0.09050 -0.06260 148 2PZ -0.30191 0.03968 -0.01426 -0.21683 -0.02446 149 3S 1.31923 -0.35543 0.73904 0.79973 -0.41827 150 3PX 0.67279 0.13514 0.15343 -0.31701 -0.02321 151 3PY -0.65432 -0.02224 -0.58085 -0.30860 0.34524 152 3PZ 1.45850 -0.65613 0.10435 0.98507 -0.13342 153 4XX 0.02350 -0.03794 -0.02417 0.01851 -0.00926 154 4YY -0.02313 0.00526 0.06648 -0.02632 0.01741 155 4ZZ 0.02700 0.05429 -0.03687 -0.00006 -0.00836 156 4XY 0.02872 -0.01267 -0.03644 0.01211 0.01131 157 4XZ -0.02592 0.01192 -0.00304 -0.00969 -0.01865 158 4YZ -0.00494 0.00141 0.02499 0.01329 -0.01377 159 15 C 1S -0.01250 0.00740 0.02295 0.00874 -0.01513 160 2S 0.12939 -0.05201 -0.05655 -0.18453 0.32477 161 2PX 0.04657 0.08932 -0.20733 -0.11964 0.21658 162 2PY -0.15799 0.05247 -0.41139 0.00833 0.21240 163 2PZ 0.15138 -0.08374 0.50879 0.14563 -0.32058 164 3S -0.51800 -0.45188 -1.39752 0.44273 -0.68222 165 3PX -0.14422 -0.06052 1.00409 0.15887 -0.50903 166 3PY 0.33366 -0.38345 1.91317 0.43643 -0.43534 167 3PZ -0.87847 0.24397 -1.78071 -0.54768 0.66736 168 4XX 0.01212 0.01702 0.00075 -0.01957 0.00489 169 4YY -0.01565 -0.02268 -0.07386 -0.00904 0.02067 170 4ZZ -0.00374 -0.00338 0.02505 -0.00442 0.02032 171 4XY -0.00713 -0.01073 0.02300 0.00042 -0.06025 172 4XZ 0.01644 -0.01261 -0.02856 0.00407 0.02685 173 4YZ 0.01604 -0.04152 -0.02399 -0.00113 0.04443 174 16 H 1S 0.02195 0.18709 -0.33062 -0.12695 -0.31040 175 2S 0.20849 0.14527 1.68671 0.55282 1.02840 176 17 H 1S 0.12828 -0.00676 -0.09351 0.03856 0.08716 177 2S -0.40990 0.07275 0.03977 -0.16342 -0.20634 178 18 H 1S 0.04814 -0.26725 0.07609 0.13637 -0.10434 179 2S 0.75611 -0.00592 -0.29968 -0.95956 0.01796 180 19 H 1S -0.04820 -0.26681 -0.07552 -0.13847 -0.10269 181 2S -0.75484 -0.01083 0.30018 0.96050 0.00783 182 20 H 1S -0.12886 -0.00641 0.09362 -0.03742 0.09440 183 2S 0.41351 0.07164 -0.04067 0.15931 -0.23301 184 21 H 1S -0.02203 0.18713 0.33076 0.12597 -0.30965 185 2S -0.21117 0.14426 -1.68814 -0.54658 1.03086 186 22 H 1S 0.04225 -0.34959 -0.07743 -0.18945 0.05249 187 2S -0.37944 0.11989 0.04928 1.11047 -0.41085 188 23 H 1S -0.04138 -0.35066 0.07816 0.18866 0.05105 189 2S 0.37742 0.12647 -0.04880 -1.11246 -0.41084 96 97 98 99 100 V V V V V Eigenvalues -- 0.88446 0.88520 0.88709 0.89806 0.91382 1 1 C 1S 0.00247 -0.00481 -0.00748 0.00497 0.00013 2 2S -0.37890 -0.10987 0.25157 -0.04382 -0.02192 3 2PX 0.08123 -0.02703 -0.00908 -0.06994 -0.09924 4 2PY -0.17196 -0.07899 0.09190 -0.09739 -0.06916 5 2PZ 0.28182 -0.00333 -0.37714 -0.00090 0.07429 6 3S 0.91957 0.47085 -0.66585 0.07993 0.08796 7 3PX -0.03455 0.06294 0.00178 0.17652 0.23656 8 3PY 0.46474 -0.14892 -0.25670 0.22573 0.08127 9 3PZ -0.50466 0.08691 1.05009 -0.11535 -0.15290 10 4XX -0.02927 -0.00674 0.03143 -0.00719 -0.01459 11 4YY -0.01539 -0.00321 0.01793 0.01732 0.00752 12 4ZZ -0.01401 0.00007 -0.01029 -0.02236 0.00085 13 4XY 0.04635 0.00935 -0.00216 0.00812 0.01547 14 4XZ -0.01996 -0.00638 0.01037 0.02413 -0.03464 15 4YZ -0.06440 0.00040 0.02145 0.02712 0.00876 16 2 C 1S 0.00192 0.00522 0.00756 0.00500 0.00010 17 2S -0.39327 0.05505 -0.24866 -0.04338 -0.02121 18 2PX 0.07728 0.03634 0.00661 -0.06968 -0.09955 19 2PY 0.18068 -0.05342 0.09027 0.09610 0.06942 20 2PZ 0.28536 0.04255 0.37336 -0.00143 0.07427 21 3S 0.98205 -0.33670 0.65732 0.07799 0.08762 22 3PX -0.02597 -0.06418 0.00185 0.17621 0.23631 23 3PY -0.44418 -0.21401 -0.25224 -0.22400 -0.08153 24 3PZ -0.50638 -0.15981 -1.04537 -0.11517 -0.15017 25 4XX -0.03022 0.00238 -0.03117 -0.00706 -0.01450 26 4YY -0.01610 0.00096 -0.01778 0.01756 0.00754 27 4ZZ -0.01371 -0.00186 0.01031 -0.02264 0.00087 28 4XY -0.04713 0.00281 -0.00200 -0.00814 -0.01541 29 4XZ -0.02090 0.00363 -0.01005 0.02432 -0.03485 30 4YZ 0.06411 0.00940 0.02066 -0.02716 -0.00864 31 3 C 1S -0.00137 -0.00014 -0.00009 -0.01681 0.00575 32 2S 0.11448 0.00708 0.00010 0.34524 -0.95906 33 2PX -0.15807 -0.00974 0.00138 0.02447 0.45049 34 2PY -0.00143 0.01359 -0.05815 -0.00007 0.00006 35 2PZ -0.09568 -0.00591 0.00182 0.31339 -0.24970 36 3S -0.37724 -0.02392 -0.00031 -0.90392 2.60481 37 3PX 0.29722 0.01794 -0.00431 -0.21048 -0.67184 38 3PY 0.00127 0.00333 0.18110 -0.00011 0.00053 39 3PZ 0.50196 0.03226 -0.00519 -0.63959 0.15457 40 4XX 0.00018 0.00001 -0.00005 0.01001 -0.01696 41 4YY -0.02867 -0.00196 0.00019 0.05326 -0.06138 42 4ZZ 0.02656 0.00166 -0.00031 -0.06107 0.01445 43 4XY 0.00001 -0.00195 -0.01272 0.00004 -0.00004 44 4XZ -0.04068 -0.00279 0.00017 -0.00317 0.00556 45 4YZ 0.00097 -0.01884 -0.01640 0.00011 -0.00009 46 4 O 1S -0.00689 0.00044 0.00074 -0.00208 -0.00074 47 2S 0.00514 -0.05302 0.03028 0.01531 -0.14971 48 2PX -0.03461 0.00775 0.04339 -0.03458 -0.00856 49 2PY 0.08901 -0.04480 -0.00087 0.07873 -0.21763 50 2PZ -0.00098 0.01188 0.08003 0.00839 0.02323 51 3S 0.08692 0.04602 -0.20254 0.10059 0.12763 52 3PX -0.00400 -0.02881 -0.07763 0.10959 0.15145 53 3PY -0.23690 0.07323 0.01137 -0.19039 0.31790 54 3PZ 0.02317 -0.02191 -0.18142 0.02441 -0.09447 55 4XX -0.01565 -0.01098 0.01016 0.01973 -0.04617 56 4YY 0.04447 -0.00727 -0.00357 -0.01382 -0.03804 57 4ZZ -0.02156 -0.03102 0.01261 0.02512 -0.07794 58 4XY -0.00060 0.00681 0.01240 0.01131 -0.02721 59 4XZ 0.01867 0.01061 -0.00577 -0.01328 0.01231 60 4YZ 0.01438 0.00610 -0.00072 -0.02862 0.02711 61 5 H 1S 0.24576 0.02617 -0.28004 -0.07474 -0.00298 62 2S -0.91496 -0.02214 0.96360 -0.06978 -0.14614 63 6 H 1S 0.25081 0.00879 0.27719 -0.07606 -0.00245 64 2S -0.92429 -0.10881 -0.95521 -0.06766 -0.14555 65 7 H 1S -0.00464 -0.00077 -0.00116 -0.39986 0.39512 66 2S -0.32189 -0.02030 0.00547 1.09935 -0.93492 67 8 O 1S -0.00677 -0.00144 -0.00074 -0.00210 -0.00070 68 2S -0.00173 0.05254 -0.03019 0.01611 -0.15001 69 2PX -0.03379 -0.01278 -0.04307 -0.03414 -0.00866 70 2PY -0.08271 -0.05618 -0.00122 -0.07924 0.21798 71 2PZ -0.00072 -0.01279 -0.07992 0.00901 0.02325 72 3S 0.09473 -0.03134 0.20353 0.09932 0.12750 73 3PX -0.00690 0.02967 0.07874 0.10961 0.15058 74 3PY 0.22572 0.10540 0.01156 0.19107 -0.31846 75 3PZ 0.02343 0.02612 0.18136 0.02365 -0.09432 76 4XX -0.01704 0.00847 -0.00993 0.01997 -0.04638 77 4YY 0.04340 0.01305 0.00313 -0.01385 -0.03788 78 4ZZ -0.02531 0.02756 -0.01226 0.02556 -0.07811 79 4XY -0.00013 0.00694 0.01239 -0.01132 0.02720 80 4XZ 0.01982 -0.00794 0.00551 -0.01345 0.01235 81 4YZ -0.01486 0.00402 -0.00047 0.02857 -0.02706 82 9 H 1S -0.05142 -0.00312 -0.00048 -0.12138 0.34709 83 2S 0.40952 0.02544 -0.00323 0.03931 -1.26455 84 10 C 1S -0.01239 -0.00181 -0.00688 -0.00837 -0.00500 85 2S -0.10644 0.09281 0.11948 0.22231 -0.10163 86 2PX 0.23405 -0.17373 0.33197 0.08876 -0.06190 87 2PY -0.09805 -0.11377 0.16742 -0.19135 0.06293 88 2PZ -0.27163 0.18897 -0.27568 -0.25419 -0.00523 89 3S 0.17619 -1.04769 -0.04514 -0.90202 0.45953 90 3PX -0.67541 1.26532 -1.37737 -0.30673 -0.05081 91 3PY 0.23222 0.63256 -1.08847 0.73839 -0.14367 92 3PZ 0.72261 -1.19667 1.13043 0.66993 0.09022 93 4XX 0.00064 -0.02093 0.02336 0.04766 0.01919 94 4YY -0.02700 0.01958 -0.00998 -0.00911 -0.01476 95 4ZZ 0.02394 -0.01952 0.01876 -0.00784 -0.02185 96 4XY 0.03437 0.00958 0.02980 0.00221 -0.02176 97 4XZ 0.02543 0.03987 -0.00133 0.00094 -0.00505 98 4YZ -0.03847 -0.00579 -0.02841 0.00364 -0.01493 99 11 C 1S 0.00320 -0.02128 -0.02359 0.01636 0.00618 100 2S -0.19554 0.36188 0.21124 -0.23004 -0.11124 101 2PX 0.06365 -0.12351 0.11782 0.05349 -0.02066 102 2PY 0.24556 -0.60489 -0.14378 0.23469 0.26403 103 2PZ -0.05260 0.11655 -0.21338 0.06480 -0.02640 104 3S -0.07018 0.00767 -1.22349 0.36718 0.31519 105 3PX -0.24112 0.86796 -0.94707 0.23282 -0.03406 106 3PY -0.82613 1.82197 0.14063 -0.78772 -0.44796 107 3PZ 0.12496 -0.92869 1.13515 -0.41704 0.33361 108 4XX -0.02417 0.06321 0.01723 -0.05974 -0.03332 109 4YY 0.01336 -0.07631 -0.04779 0.01918 0.04419 110 4ZZ -0.03264 0.05845 0.02189 0.01083 -0.02954 111 4XY -0.01052 0.03059 -0.04826 0.01345 -0.00589 112 4XZ 0.02466 -0.02640 0.00801 0.03227 0.00721 113 4YZ 0.03635 -0.05228 0.02166 -0.00058 0.01775 114 12 C 1S -0.00446 -0.00128 -0.00611 -0.00792 0.01275 115 2S -0.25926 0.09562 0.07640 0.11588 0.04860 116 2PX -0.16561 -0.02745 -0.30935 0.45790 0.25958 117 2PY 0.05093 0.04468 -0.17780 0.02680 0.05510 118 2PZ -0.22694 0.22714 -0.06445 0.10802 -0.08729 119 3S 0.69024 -0.48609 -0.31200 0.28188 -0.28256 120 3PX 0.12934 0.06317 0.61950 -0.85749 -0.44013 121 3PY -0.04973 -0.61074 0.91303 -0.16489 0.14714 122 3PZ 0.29771 -0.87857 0.51103 -0.35555 0.06845 123 4XX -0.02942 0.01719 -0.02287 0.00441 0.02397 124 4YY -0.04057 0.00419 0.01717 0.03685 -0.02462 125 4ZZ 0.02087 -0.01970 0.00646 -0.01742 0.01596 126 4XY -0.06901 -0.01577 -0.01336 0.01034 0.01552 127 4XZ 0.01343 0.01108 0.03587 -0.07614 -0.01074 128 4YZ -0.06187 0.04518 0.00065 -0.00312 -0.02986 129 13 C 1S -0.00452 0.00077 0.00614 -0.00795 0.01275 130 2S -0.24641 -0.12447 -0.07121 0.11575 0.04820 131 2PX -0.16009 0.00703 0.31506 0.45761 0.26119 132 2PY -0.05882 0.03902 -0.17599 -0.02566 -0.05490 133 2PZ -0.19522 -0.25270 0.06829 0.10609 -0.08715 134 3S 0.62868 0.55781 0.29755 0.28268 -0.28295 135 3PX 0.11787 -0.04762 -0.62680 -0.86008 -0.44312 136 3PY 0.14036 -0.60338 0.90993 0.15777 -0.14875 137 3PZ 0.17855 0.90712 -0.51495 -0.34656 0.06823 138 4XX -0.02668 -0.02033 0.02359 0.00398 0.02421 139 4YY -0.04011 -0.00927 -0.01643 0.03689 -0.02473 140 4ZZ 0.01823 0.02213 -0.00704 -0.01705 0.01572 141 4XY 0.07012 -0.00704 -0.01470 -0.01021 -0.01557 142 4XZ 0.01388 -0.00902 -0.03632 -0.07597 -0.01104 143 4YZ 0.05564 0.05223 -0.00057 0.00341 0.02977 144 14 C 1S 0.00091 0.02138 0.02361 0.01640 0.00615 145 2S -0.15217 -0.38375 -0.20962 -0.23106 -0.11140 146 2PX 0.04632 0.13126 -0.11727 0.05397 -0.01935 147 2PY -0.17098 -0.62799 -0.14044 -0.23705 -0.26355 148 2PZ -0.03432 -0.12299 0.21413 0.06278 -0.02696 149 3S -0.04770 -0.01033 1.22656 0.36514 0.31437 150 3PX -0.11643 -0.89096 0.94992 0.22702 -0.03750 151 3PY 0.59490 1.89657 0.13191 0.79604 0.44616 152 3PZ -0.00775 0.94259 -1.13530 -0.40534 0.33655 153 4XX -0.01662 -0.06547 -0.01668 -0.05987 -0.03342 154 4YY 0.00477 0.07748 0.04724 0.01943 0.04421 155 4ZZ -0.02542 -0.06219 -0.02126 0.01057 -0.02956 156 4XY 0.00571 0.03131 -0.04854 -0.01325 0.00561 157 4XZ 0.02111 0.02947 -0.00826 0.03225 0.00745 158 4YZ -0.02917 -0.05590 0.02247 0.00031 -0.01759 159 15 C 1S -0.01243 0.00050 0.00717 -0.00843 -0.00498 160 2S -0.09506 -0.11189 -0.11871 0.22296 -0.10261 161 2PX 0.20536 0.19760 -0.33685 0.09066 -0.06215 162 2PY 0.11432 -0.10414 0.16425 0.19075 -0.06371 163 2PZ -0.24173 -0.21551 0.28152 -0.25564 -0.00499 164 3S 0.04097 1.07457 0.04552 -0.89954 0.46096 165 3PX -0.49054 -1.32951 1.39029 -0.31718 -0.05044 166 3PY -0.32550 0.60449 -1.07996 -0.73294 0.14802 167 3PZ 0.54972 1.26308 -1.14422 0.67710 0.09001 168 4XX -0.00215 0.02050 -0.02330 0.04785 0.01916 169 4YY -0.02441 -0.02308 0.01049 -0.00922 -0.01489 170 4ZZ 0.02110 0.02201 -0.01938 -0.00768 -0.02186 171 4XY -0.03487 0.00636 0.03067 -0.00221 0.02180 172 4XZ 0.03011 -0.03668 0.00075 0.00084 -0.00508 173 4YZ 0.03841 -0.00181 -0.02920 -0.00356 0.01493 174 16 H 1S -0.17231 0.01243 -0.15548 0.01127 0.02035 175 2S 0.75775 -0.43624 0.72796 0.78725 -0.07235 176 17 H 1S 0.15341 -0.39230 -0.18980 0.22946 0.27839 177 2S -0.67307 1.57071 0.50691 -0.76905 -0.58723 178 18 H 1S -0.22324 0.03290 -0.24038 0.08426 0.20334 179 2S 0.08270 0.21870 0.70744 -0.71822 -0.26749 180 19 H 1S -0.21293 -0.05919 0.24531 0.08243 0.20493 181 2S 0.09185 -0.20598 -0.71176 -0.71796 -0.27077 182 20 H 1S 0.10674 0.40631 0.18671 0.23064 0.27815 183 2S -0.48120 -1.63439 -0.49694 -0.77460 -0.58652 184 21 H 1S -0.16725 -0.02923 0.16030 0.01034 0.02082 185 2S 0.68645 0.50701 -0.74369 0.79232 -0.07484 186 22 H 1S 0.32035 0.00468 0.13083 -0.28685 0.11530 187 2S -0.66227 0.32991 -0.34806 0.78310 0.15215 188 23 H 1S 0.31448 0.03598 -0.13788 -0.28617 0.11444 189 2S -0.60545 -0.40677 0.36401 0.78078 0.15533 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94029 0.95122 1.00794 1.01440 1 1 C 1S 0.00266 -0.01088 0.00759 -0.01584 0.00968 2 2S -0.10635 0.13829 -0.13104 -0.81426 0.22012 3 2PX 0.06185 0.16592 0.02496 -0.07771 0.09824 4 2PY 0.19563 0.15557 0.10351 0.03315 -0.02750 5 2PZ 0.04407 -0.26779 0.05733 0.15591 -0.01293 6 3S 0.20672 -0.52913 0.06110 2.52060 -0.44569 7 3PX 0.08492 -0.23778 0.23071 0.17147 -0.29506 8 3PY -0.48179 -0.37608 -0.16699 -0.52451 -0.13801 9 3PZ -0.86651 0.52415 -0.70166 -0.65717 0.06814 10 4XX 0.00901 0.02847 -0.01585 -0.03447 -0.02803 11 4YY 0.01796 0.00014 0.00433 -0.01007 0.03121 12 4ZZ -0.04435 -0.01200 -0.01946 -0.05318 0.02135 13 4XY -0.00062 0.05105 0.00001 -0.00127 -0.05782 14 4XZ 0.05265 0.01019 0.03508 0.04569 0.03810 15 4YZ 0.02819 0.04377 0.02393 0.00548 -0.03688 16 2 C 1S -0.00273 -0.01079 -0.00756 0.01579 0.00953 17 2S 0.10826 0.13770 0.13159 0.81357 0.22083 18 2PX -0.06016 0.16693 -0.02432 0.07844 0.09971 19 2PY 0.19415 -0.15720 0.10325 0.03350 0.02879 20 2PZ -0.04614 -0.26752 -0.05822 -0.15573 -0.01252 21 3S -0.21360 -0.52731 -0.06446 -2.52053 -0.45397 22 3PX -0.08765 -0.23919 -0.23198 -0.17194 -0.29605 23 3PY -0.47953 0.38083 -0.16707 -0.52562 0.12947 24 3PZ 0.86967 0.51783 0.70215 0.65500 0.06357 25 4XX -0.00874 0.02850 0.01592 0.03434 -0.02806 26 4YY -0.01793 0.00056 -0.00431 0.01010 0.03088 27 4ZZ 0.04421 -0.01241 0.01947 0.05301 0.02120 28 4XY -0.00112 -0.05106 -0.00026 -0.00127 0.05776 29 4XZ -0.05254 0.01050 -0.03488 -0.04566 0.03879 30 4YZ 0.02747 -0.04398 0.02361 0.00568 0.03682 31 3 C 1S 0.00001 0.00221 0.00002 0.00000 0.03072 32 2S 0.00062 -0.06398 0.00173 0.00097 0.54776 33 2PX -0.00094 -0.13781 -0.00079 -0.00070 -0.00706 34 2PY -0.01823 0.00013 -0.11487 -0.01184 0.00092 35 2PZ 0.00027 0.00194 0.00048 0.00047 -0.00335 36 3S -0.00257 -0.06992 -0.00503 -0.00234 -1.11992 37 3PX 0.00029 -0.08446 0.00015 0.00201 -0.03134 38 3PY 0.12172 -0.00126 0.44942 -0.05077 -0.00281 39 3PZ 0.00107 0.31948 -0.00007 -0.00078 -0.07542 40 4XX -0.00004 -0.01126 -0.00002 0.00029 -0.00436 41 4YY -0.00017 -0.05703 0.00006 0.00019 0.05963 42 4ZZ 0.00022 0.04842 0.00010 -0.00025 0.04971 43 4XY 0.04028 -0.00007 -0.04886 0.01244 -0.00004 44 4XZ -0.00010 -0.02226 -0.00013 -0.00029 0.00592 45 4YZ 0.02862 -0.00015 -0.01799 0.01848 -0.00040 46 4 O 1S -0.00956 -0.00328 -0.00864 -0.00802 -0.00261 47 2S -0.01612 0.02228 0.14161 -0.09507 0.01388 48 2PX -0.13694 -0.00506 0.10043 0.01796 -0.06627 49 2PY 0.02001 0.14665 0.11272 0.05879 -0.12956 50 2PZ -0.04467 0.05088 0.21540 0.06438 -0.01951 51 3S 0.33838 -0.02792 -0.04950 0.15697 0.13469 52 3PX 0.38662 -0.03566 0.11530 -0.00496 0.10760 53 3PY -0.05779 -0.16073 -0.18519 -0.08409 0.12468 54 3PZ -0.00708 -0.08058 -0.32897 -0.00548 0.04966 55 4XX -0.01961 0.00591 0.07377 -0.04086 0.00194 56 4YY -0.03562 0.02173 0.00355 -0.06422 -0.00361 57 4ZZ 0.03844 0.00224 0.02753 0.00565 0.00115 58 4XY 0.01745 0.00587 0.00567 0.01211 0.04027 59 4XZ -0.00819 0.02941 -0.01709 0.04142 -0.00369 60 4YZ -0.00038 0.02009 -0.00114 -0.02139 -0.01871 61 5 H 1S -0.27836 -0.18495 -0.14113 -0.02196 0.14102 62 2S -0.00731 0.70125 -0.15804 -0.71387 0.12686 63 6 H 1S 0.27633 -0.18651 0.14056 0.02194 0.13943 64 2S 0.01452 0.70132 0.16055 0.71302 0.12534 65 7 H 1S -0.00012 0.09046 -0.00044 -0.00157 0.13797 66 2S -0.00028 -0.37427 0.00166 0.00328 0.11165 67 8 O 1S 0.00952 -0.00335 0.00859 0.00798 -0.00259 68 2S 0.01626 0.02277 -0.14145 0.09413 0.01706 69 2PX 0.13657 -0.00560 -0.10149 -0.01834 -0.06856 70 2PY 0.01859 -0.14691 0.11210 0.05931 0.12686 71 2PZ 0.04521 0.05068 -0.21547 -0.06296 -0.01960 72 3S -0.33811 -0.02680 0.05061 -0.15537 0.12823 73 3PX -0.38639 -0.03292 -0.11392 0.00579 0.11203 74 3PY -0.05638 0.16111 -0.18402 -0.08502 -0.11987 75 3PZ 0.00627 -0.08098 0.32916 0.00309 0.04943 76 4XX 0.01964 0.00608 -0.07366 0.04029 0.00281 77 4YY 0.03577 0.02165 -0.00342 0.06413 -0.00308 78 4ZZ -0.03842 0.00251 -0.02748 -0.00593 0.00277 79 4XY 0.01729 -0.00609 0.00535 0.01232 -0.04032 80 4XZ 0.00842 0.02930 0.01722 -0.04137 -0.00391 81 4YZ -0.00034 -0.02003 -0.00114 -0.02097 0.01876 82 9 H 1S -0.00084 -0.15614 -0.00083 -0.00004 0.00076 83 2S 0.00162 0.13986 0.00208 0.00136 0.32719 84 10 C 1S -0.00091 0.00628 -0.00336 0.01320 -0.01531 85 2S 0.33558 -0.25670 0.25410 0.46376 -0.49472 86 2PX 0.00560 -0.10577 -0.04285 0.12735 0.10295 87 2PY -0.06917 0.08092 -0.27289 0.27637 0.19496 88 2PZ -0.04126 0.18679 0.06738 -0.14928 0.07539 89 3S -1.22578 0.01432 -0.85598 -1.84230 1.67276 90 3PX 0.12669 0.22982 0.91387 -1.13531 -0.08874 91 3PY 0.47023 0.25937 2.07531 -2.34823 -0.98910 92 3PZ -0.06138 -0.30314 -0.84373 1.23818 -0.24854 93 4XX 0.00615 -0.01929 -0.00077 0.02111 -0.01982 94 4YY 0.01649 -0.04836 0.03732 -0.02647 -0.02325 95 4ZZ 0.02356 0.03345 -0.01372 0.06142 -0.02410 96 4XY -0.01137 -0.02301 -0.01320 -0.00524 -0.00859 97 4XZ 0.00230 -0.03623 0.03184 -0.06782 0.02808 98 4YZ 0.00770 0.08442 0.01261 0.03077 -0.05318 99 11 C 1S 0.00657 -0.00255 0.01119 0.00775 0.00066 100 2S 0.18970 -0.44884 -0.08991 0.43351 -0.03856 101 2PX -0.19711 -0.04117 -0.30457 -0.03998 0.10210 102 2PY -0.04275 0.38581 0.15170 -0.08649 0.05225 103 2PZ 0.10023 0.01491 0.18377 -0.09807 -0.04489 104 3S -0.44517 1.17694 1.33194 -2.12263 -0.29457 105 3PX 0.90293 0.27747 1.62882 -0.83280 -0.60253 106 3PY 0.21315 -0.81336 -0.13274 0.22201 0.44363 107 3PZ -0.83712 -0.54805 -1.55629 0.50363 0.60145 108 4XX 0.03627 -0.04955 -0.00160 -0.04657 -0.04182 109 4YY 0.04189 0.00220 0.02678 0.08347 0.09361 110 4ZZ -0.04575 -0.02288 -0.00243 -0.00296 -0.06596 111 4XY -0.00971 0.02791 -0.01671 0.05910 -0.03025 112 4XZ -0.02705 0.02018 -0.07266 0.00985 -0.02954 113 4YZ -0.01715 -0.00121 -0.01106 0.04296 0.04333 114 12 C 1S 0.02670 -0.02140 -0.01209 0.00232 0.00029 115 2S -0.58029 -0.16938 0.33001 0.23004 0.46998 116 2PX -0.06482 -0.12027 -0.18194 -0.07830 -0.05715 117 2PY 0.27511 0.02975 0.00159 -0.01353 -0.05768 118 2PZ -0.22366 -0.13414 0.13717 0.08970 0.24249 119 3S 1.42282 0.73139 -0.29039 -0.84868 -1.37457 120 3PX 0.13498 0.30916 0.09468 0.66542 0.11283 121 3PY -1.15324 -0.16044 -0.81335 -0.22227 0.15095 122 3PZ -0.07798 0.05204 -0.72054 -0.15177 -0.08520 123 4XX 0.00345 -0.03271 -0.06432 0.02535 -0.07394 124 4YY -0.04811 0.00053 0.01257 0.00851 0.07124 125 4ZZ -0.00401 -0.01719 0.09220 -0.00735 0.07059 126 4XY -0.00655 -0.05397 -0.03020 0.02372 0.03550 127 4XZ 0.06435 0.00430 0.02210 -0.07113 -0.00535 128 4YZ -0.01591 0.01522 0.00654 0.00030 -0.03399 129 13 C 1S -0.02684 -0.02124 0.01198 -0.00229 0.00033 130 2S 0.57918 -0.17363 -0.32928 -0.23282 0.47154 131 2PX 0.06450 -0.12031 0.18168 0.07933 -0.05676 132 2PY 0.27447 -0.03148 0.00204 -0.01440 0.05743 133 2PZ 0.22333 -0.13591 -0.13687 -0.09068 0.24370 134 3S -1.41773 0.74335 0.29205 0.85410 -1.37827 135 3PX -0.13330 0.30533 -0.09339 -0.66780 0.11589 136 3PY -1.15177 0.16840 -0.81292 -0.22135 -0.14747 137 3PZ 0.07682 0.05179 0.71876 0.15378 -0.09001 138 4XX -0.00386 -0.03303 0.06397 -0.02503 -0.07371 139 4YY 0.04822 0.00027 -0.01230 -0.00887 0.07116 140 4ZZ 0.00400 -0.01698 -0.09206 0.00701 0.07071 141 4XY -0.00621 0.05412 -0.03000 0.02323 -0.03563 142 4XZ -0.06429 0.00524 -0.02249 0.07102 -0.00561 143 4YZ -0.01594 -0.01506 0.00665 0.00050 0.03391 144 14 C 1S -0.00664 -0.00246 -0.01119 -0.00771 0.00074 145 2S -0.19275 -0.44862 0.08915 -0.43013 -0.03808 146 2PX 0.19651 -0.04346 0.30449 0.04130 0.10280 147 2PY -0.04469 -0.38649 0.15230 -0.08609 -0.05144 148 2PZ -0.10039 0.01498 -0.18332 0.09713 -0.04380 149 3S 0.45452 1.18185 -1.32901 2.10712 -0.29542 150 3PX -0.90069 0.28978 -1.62763 0.82719 -0.60186 151 3PY 0.21495 0.81466 -0.13736 0.22329 -0.44693 152 3PZ 0.83394 -0.55393 1.55255 -0.49657 0.59455 153 4XX -0.03659 -0.04908 0.00145 0.04630 -0.04207 154 4YY -0.04180 0.00245 -0.02671 -0.08311 0.09388 155 4ZZ 0.04555 -0.02329 0.00241 0.00322 -0.06583 156 4XY -0.00991 -0.02764 -0.01687 0.05929 0.03016 157 4XZ 0.02723 0.01968 0.07267 -0.00953 -0.02946 158 4YZ -0.01718 0.00158 -0.01099 0.04266 -0.04298 159 15 C 1S 0.00094 0.00625 0.00338 -0.01332 -0.01535 160 2S -0.33773 -0.25343 -0.25486 -0.46819 -0.49554 161 2PX -0.00637 -0.10595 0.04320 -0.12720 0.10280 162 2PY -0.06986 -0.07982 -0.27261 0.27502 -0.19427 163 2PZ 0.04289 0.18649 -0.06747 0.14914 0.07579 164 3S 1.22602 0.00381 0.85352 1.85936 1.67516 165 3PX -0.12518 0.23377 -0.91534 1.13440 -0.08581 166 3PY 0.46831 -0.26941 2.07111 -2.33886 0.98516 167 3PZ 0.05869 -0.30746 0.84564 -1.23846 -0.24962 168 4XX -0.00629 -0.01925 0.00076 -0.02098 -0.01977 169 4YY -0.01692 -0.04784 -0.03756 0.02596 -0.02332 170 4ZZ -0.02331 0.03330 0.01385 -0.06161 -0.02423 171 4XY -0.01112 0.02325 -0.01300 -0.00569 0.00853 172 4XZ -0.00261 -0.03595 -0.03198 0.06797 0.02819 173 4YZ 0.00704 -0.08461 0.01220 0.03131 0.05318 174 16 H 1S -0.03426 0.33012 -0.13375 0.22500 -0.25376 175 2S 0.32295 -0.57922 0.29735 0.22848 -0.46407 176 17 H 1S 0.02947 0.19332 0.14254 0.13047 0.39264 177 2S 0.14519 -0.96744 -0.38219 0.15750 -0.14136 178 18 H 1S 0.22076 -0.23266 -0.43824 0.12926 -0.24119 179 2S -0.50165 0.26637 0.59480 0.23584 0.59924 180 19 H 1S -0.22234 -0.23262 0.43670 -0.12673 -0.24031 181 2S 0.50246 0.26212 -0.59402 -0.24340 0.60083 182 20 H 1S -0.02835 0.19382 -0.14237 -0.13025 0.39315 183 2S -0.15071 -0.96829 0.38171 -0.15492 -0.14043 184 21 H 1S 0.03687 0.32912 0.13471 -0.22563 -0.25425 185 2S -0.32828 -0.57563 -0.29859 -0.22988 -0.46515 186 22 H 1S 0.50796 -0.05567 -0.05971 -0.23758 -0.19678 187 2S -1.05550 -0.35440 0.10190 0.24268 0.44527 188 23 H 1S -0.50857 -0.05116 0.05820 0.23842 -0.19837 189 2S 1.05360 -0.36231 -0.10091 -0.24390 0.44844 106 107 108 109 110 V V V V V Eigenvalues -- 1.02297 1.02721 1.09206 1.09919 1.11415 1 1 C 1S 0.01050 -0.00076 -0.00458 0.00910 0.01454 2 2S -0.10681 0.04644 0.08497 -0.21135 0.32792 3 2PX -0.18612 0.06455 0.06092 -0.13972 0.16829 4 2PY 0.18800 0.06735 0.01299 0.00758 -0.05633 5 2PZ 0.04691 -0.09652 0.13389 0.01245 0.05958 6 3S 1.28417 -0.25666 -0.37479 0.45020 -0.03873 7 3PX 0.36772 -0.04183 0.16341 -0.21853 -0.43887 8 3PY -1.23356 -0.17674 0.21604 -0.03896 0.33340 9 3PZ 0.10642 0.17303 -1.09920 0.12508 -0.13176 10 4XX 0.01135 0.00978 0.04169 0.05103 -0.02840 11 4YY 0.01916 -0.00779 -0.00434 -0.05475 0.04711 12 4ZZ 0.02228 0.00398 -0.05020 0.04448 0.02878 13 4XY 0.00707 -0.01574 -0.01296 0.01738 -0.01438 14 4XZ -0.07253 -0.01493 0.01473 0.01265 -0.00879 15 4YZ -0.00039 -0.04921 0.00250 0.05327 0.08907 16 2 C 1S -0.01059 -0.00076 0.00470 0.00899 0.01459 17 2S 0.10571 0.04111 -0.08759 -0.21017 0.33041 18 2PX 0.18601 0.06237 -0.06278 -0.13853 0.16806 19 2PY 0.18727 -0.06903 0.01276 -0.00815 0.05722 20 2PZ -0.04784 -0.09537 -0.13340 0.01406 0.05959 21 3S -1.28379 -0.22979 0.37873 0.44861 -0.05373 22 3PX -0.36573 -0.03768 -0.16622 -0.21877 -0.43247 23 3PY -1.23256 0.19160 0.21599 0.03740 -0.34112 24 3PZ -0.10749 0.17171 1.10101 0.11330 -0.13442 25 4XX -0.01121 0.00972 -0.04048 0.05168 -0.02866 26 4YY -0.01941 -0.00784 0.00354 -0.05459 0.04740 27 4ZZ -0.02241 0.00416 0.05037 0.04358 0.02851 28 4XY 0.00674 0.01570 -0.01333 -0.01714 0.01444 29 4XZ 0.07211 -0.01541 -0.01447 0.01277 -0.00869 30 4YZ -0.00002 0.04918 0.00185 -0.05360 -0.08908 31 3 C 1S -0.00015 -0.00101 0.00027 0.02838 -0.03481 32 2S -0.00112 0.28358 0.00478 0.55334 -0.49410 33 2PX -0.00159 -0.33925 -0.00100 -0.10057 0.03339 34 2PY 0.25322 -0.00142 0.00510 0.00006 0.00001 35 2PZ 0.00083 0.09390 -0.00048 -0.02685 0.02136 36 3S 0.00076 -0.94572 -0.01323 -1.64992 0.76804 37 3PX 0.00456 1.00424 0.00334 0.29780 -0.20810 38 3PY -0.75486 0.00459 0.36868 -0.00217 -0.00069 39 3PZ -0.00136 -0.17188 0.00012 -0.32284 -0.47115 40 4XX 0.00059 0.12181 0.00025 0.01945 -0.10774 41 4YY 0.00016 0.04710 0.00013 0.02848 0.00342 42 4ZZ -0.00096 -0.11862 0.00027 0.01471 -0.03335 43 4XY 0.00350 0.00000 0.14954 -0.00116 0.00012 44 4XZ -0.00025 -0.04060 0.00034 0.05211 0.15567 45 4YZ -0.10162 0.00063 0.05847 -0.00052 0.00042 46 4 O 1S -0.00630 -0.00075 0.00162 0.00670 0.01304 47 2S -0.46069 -0.12655 -0.00484 0.07647 0.21730 48 2PX 0.26774 0.05399 -0.34248 0.03420 -0.07850 49 2PY -0.37341 -0.06484 -0.25274 -0.11253 0.13235 50 2PZ 0.03952 0.06577 -0.26537 -0.31266 -0.41714 51 3S 1.13295 0.11025 0.18374 -0.24522 -0.75909 52 3PX -0.45622 -0.15694 0.71295 -0.25269 0.11846 53 3PY 0.65986 0.20736 0.38926 0.19937 -0.16315 54 3PZ -0.00553 -0.18312 0.30768 0.61691 0.73267 55 4XX -0.12980 -0.07296 -0.09966 0.01331 0.14748 56 4YY -0.09214 -0.03490 0.04644 0.03057 -0.03219 57 4ZZ -0.21136 -0.01582 0.04756 0.00682 0.08824 58 4XY -0.01560 -0.05137 -0.01387 0.00652 0.04812 59 4XZ 0.00429 0.00395 -0.06645 -0.02028 -0.00919 60 4YZ 0.01375 -0.04615 0.00131 0.01462 0.02428 61 5 H 1S 0.07691 -0.00195 -0.24446 0.08863 -0.02602 62 2S 0.14422 0.16970 -0.29738 -0.04537 -0.02327 63 6 H 1S -0.07800 -0.00116 0.24559 0.08511 -0.02638 64 2S -0.14340 0.16749 0.29799 -0.04710 -0.02421 65 7 H 1S -0.00301 -0.47975 0.00089 0.10612 -0.03805 66 2S 0.00450 1.02067 0.00240 0.55817 0.19802 67 8 O 1S 0.00630 -0.00087 -0.00158 0.00679 0.01300 68 2S 0.45912 -0.13188 0.00522 0.07733 0.21766 69 2PX -0.26674 0.05694 0.34366 0.02906 -0.07752 70 2PY -0.37390 0.06808 -0.25129 0.11652 -0.13241 71 2PZ -0.03913 0.06661 0.26204 -0.31683 -0.41452 72 3S -1.13238 0.12283 -0.18443 -0.24654 -0.75700 73 3PX 0.45436 -0.16192 -0.71768 -0.24322 0.11864 74 3PY 0.65929 -0.21314 0.38668 -0.20620 0.16382 75 3PZ 0.00391 -0.18343 -0.30097 0.62240 0.72755 76 4XX 0.12911 -0.07458 0.09924 0.01208 0.14811 77 4YY 0.09165 -0.03634 -0.04600 0.03156 -0.03216 78 4ZZ 0.21118 -0.01782 -0.04751 0.00784 0.08786 79 4XY -0.01474 0.05148 -0.01395 -0.00630 -0.04816 80 4XZ -0.00418 0.00436 0.06608 -0.02126 -0.00938 81 4YZ 0.01386 0.04614 0.00108 -0.01455 -0.02449 82 9 H 1S -0.00008 0.03429 0.00100 0.10087 -0.05029 83 2S 0.00133 0.62649 0.00457 0.47112 -0.32723 84 10 C 1S 0.00452 -0.01311 0.00856 0.01557 -0.01725 85 2S 0.29671 -0.43901 0.30241 0.56385 -0.48761 86 2PX 0.02315 -0.00660 -0.01934 -0.08107 0.10474 87 2PY 0.00023 0.15725 0.03468 0.01707 -0.00843 88 2PZ 0.01084 0.05220 0.01789 0.12119 0.00910 89 3S -1.19222 1.78919 -0.83667 -1.78296 0.98335 90 3PX 0.09616 -0.19675 0.11161 0.69283 -0.27243 91 3PY 0.21711 -0.73069 0.17793 0.13957 -0.16670 92 3PZ -0.22853 0.10718 -0.03588 -0.69856 0.04782 93 4XX -0.00129 0.00935 -0.00583 -0.00583 -0.04621 94 4YY 0.00534 -0.04069 0.00546 0.09237 -0.05723 95 4ZZ 0.02809 -0.03252 0.03363 -0.01840 0.05679 96 4XY -0.00566 0.01969 -0.00416 -0.08287 0.01819 97 4XZ -0.00403 0.00955 -0.01798 -0.01972 0.02810 98 4YZ 0.01060 -0.04174 0.00514 -0.01676 0.01888 99 11 C 1S -0.01106 0.00052 0.01197 -0.02081 -0.01136 100 2S -0.20394 0.22092 -0.12399 -0.82602 0.05762 101 2PX -0.13566 0.12000 0.05043 -0.03486 0.00621 102 2PY 0.06635 0.10475 0.05058 0.03819 -0.11110 103 2PZ -0.01929 -0.06860 0.05487 0.10182 -0.05866 104 3S 0.96553 -1.02737 0.36723 2.74772 -0.53220 105 3PX 0.49511 -0.72666 0.16271 0.40382 -0.17726 106 3PY -0.01764 -0.03048 -0.36220 0.62010 0.13404 107 3PZ -0.26075 0.58388 -0.38422 -0.35408 0.16340 108 4XX 0.00481 -0.01526 0.03866 0.02423 -0.01706 109 4YY -0.01079 0.04081 -0.02384 -0.02285 0.02745 110 4ZZ -0.02227 -0.01522 -0.00659 -0.09217 -0.01670 111 4XY 0.00836 0.00130 0.00909 -0.02547 0.03074 112 4XZ -0.01020 0.01614 -0.02341 -0.01886 0.03508 113 4YZ -0.00543 0.00427 0.00449 -0.02561 0.05505 114 12 C 1S -0.00743 0.00470 -0.01159 0.00044 -0.01160 115 2S -0.10836 -0.35599 0.24911 -0.11190 -0.31892 116 2PX -0.06205 0.01887 -0.07948 -0.16428 0.13913 117 2PY 0.06630 0.23725 -0.11545 0.08698 0.02952 118 2PZ -0.06050 -0.26294 0.10652 -0.06523 -0.03410 119 3S 0.36520 0.97596 -0.34342 0.07491 0.76914 120 3PX -0.04639 -0.02862 0.45988 0.24001 -0.42761 121 3PY -0.19702 -0.39133 0.34385 -0.19191 -0.19036 122 3PZ 0.15552 0.59296 -0.31944 0.52097 0.12515 123 4XX -0.01624 0.01524 -0.02906 -0.01038 -0.01836 124 4YY -0.00461 -0.03547 0.02062 -0.00075 -0.04179 125 4ZZ -0.00511 -0.02503 0.03158 -0.00596 0.00581 126 4XY -0.01147 0.11390 -0.01189 0.09030 0.03018 127 4XZ 0.01811 -0.01701 0.02229 0.02371 -0.05772 128 4YZ -0.00521 -0.01914 0.01982 -0.04178 -0.05638 129 13 C 1S 0.00744 0.00464 0.01174 0.00034 -0.01176 130 2S 0.10094 -0.35667 -0.24727 -0.10767 -0.32274 131 2PX 0.06279 0.01747 0.07640 -0.16513 0.13870 132 2PY 0.06342 -0.23764 -0.11610 -0.08525 -0.03006 133 2PZ 0.05592 -0.26387 -0.10690 -0.06341 -0.03572 134 3S -0.34239 0.97699 0.33333 0.06896 0.78285 135 3PX 0.04560 -0.02238 -0.45467 0.24627 -0.42553 136 3PY -0.19102 0.39515 0.34322 0.18332 0.19256 137 3PZ -0.14999 0.59469 0.32758 0.51366 0.13051 138 4XX 0.01683 0.01541 0.02899 -0.01063 -0.01837 139 4YY 0.00372 -0.03567 -0.02032 -0.00061 -0.04213 140 4ZZ 0.00438 -0.02524 -0.03150 -0.00540 0.00568 141 4XY -0.01223 -0.11387 -0.01287 -0.09011 -0.03006 142 4XZ -0.01832 -0.01758 -0.02178 0.02396 -0.05832 143 4YZ -0.00542 0.01921 0.02041 0.04145 0.05639 144 14 C 1S 0.01110 0.00049 -0.01229 -0.02070 -0.01140 145 2S 0.20763 0.22138 0.11138 -0.82766 0.05667 146 2PX 0.13632 0.11846 -0.05121 -0.03311 0.00514 147 2PY 0.06562 -0.10402 0.04999 -0.04034 0.11235 148 2PZ 0.01927 -0.06942 -0.05355 0.10247 -0.05783 149 3S -0.97771 -1.03217 -0.32272 2.75619 -0.53211 150 3PX -0.49847 -0.72760 -0.15750 0.40678 -0.17668 151 3PY -0.01326 0.02622 -0.37380 -0.60952 -0.13605 152 3PZ 0.26048 0.58309 0.38116 -0.36010 0.15825 153 4XX -0.00487 -0.01558 -0.03829 0.02481 -0.01696 154 4YY 0.01060 0.04122 0.02353 -0.02351 0.02727 155 4ZZ 0.02278 -0.01545 0.00521 -0.09201 -0.01677 156 4XY 0.00806 -0.00189 0.00955 0.02563 -0.03112 157 4XZ 0.01056 0.01617 0.02301 -0.01926 0.03554 158 4YZ -0.00514 -0.00425 0.00518 0.02563 -0.05506 159 15 C 1S -0.00453 -0.01297 -0.00830 0.01558 -0.01728 160 2S -0.29840 -0.43291 -0.29248 0.56431 -0.48774 161 2PX -0.02389 -0.00546 0.01793 -0.08166 0.10445 162 2PY 0.00004 -0.15870 0.03436 -0.01738 0.00873 163 2PZ -0.01069 0.05124 -0.01632 0.12203 0.00934 164 3S 1.19957 1.76455 0.80884 -1.77794 0.98355 165 3PX -0.09847 -0.20422 -0.10082 0.69966 -0.27370 166 3PY 0.21625 0.74252 0.17682 -0.14751 0.16268 167 3PZ 0.23247 0.11450 0.02543 -0.70509 0.05101 168 4XX 0.00163 0.00952 0.00593 -0.00610 -0.04640 169 4YY -0.00580 -0.04091 -0.00391 0.09252 -0.05718 170 4ZZ -0.02825 -0.03177 -0.03413 -0.01826 0.05694 171 4XY -0.00604 -0.01949 -0.00275 0.08259 -0.01811 172 4XZ 0.00386 0.00903 0.01768 -0.01960 0.02807 173 4YZ 0.01047 0.04135 0.00573 0.01720 -0.01932 174 16 H 1S 0.03588 -0.04402 0.08605 -0.10207 -0.02595 175 2S 0.14746 -0.35112 0.09923 -0.10613 -0.16527 176 17 H 1S -0.03741 0.12671 -0.04999 0.10842 -0.09488 177 2S -0.20858 0.00649 -0.25495 -0.29361 0.19180 178 18 H 1S -0.06761 0.43258 -0.29281 0.14334 0.09164 179 2S -0.10131 -1.12842 0.88316 -0.23579 -0.75130 180 19 H 1S 0.07338 0.43348 0.29416 0.13951 0.09267 181 2S 0.08571 -1.12861 -0.88094 -0.22199 -0.75677 182 20 H 1S 0.03573 0.12730 0.05233 0.10701 -0.09570 183 2S 0.20958 0.00635 0.25044 -0.29920 0.19374 184 21 H 1S -0.03378 -0.04184 -0.08830 -0.10316 -0.02408 185 2S -0.14798 -0.34780 -0.10015 -0.10753 -0.16446 186 22 H 1S 0.06595 0.07383 -0.17706 -0.04985 -0.00787 187 2S -0.28937 -0.46882 0.22826 -0.38272 -0.01179 188 23 H 1S -0.06393 0.07315 0.17666 -0.05156 -0.00883 189 2S 0.28122 -0.47177 -0.23230 -0.37761 -0.01615 111 112 113 114 115 V V V V V Eigenvalues -- 1.14920 1.15183 1.18942 1.20406 1.25129 1 1 C 1S 0.00074 -0.02008 -0.00437 0.00221 -0.00728 2 2S 0.58633 -0.12984 0.00774 0.10189 -0.25283 3 2PX 0.10289 0.04657 -0.03896 0.09851 -0.16220 4 2PY -0.10113 0.07379 0.06176 0.13996 0.04429 5 2PZ 0.10747 -0.14550 0.11885 0.07966 0.13956 6 3S -2.39968 -0.27579 0.10110 0.94666 0.57392 7 3PX 0.78195 0.10794 -0.27416 -0.81549 0.99695 8 3PY 1.00807 -0.30878 -0.35811 -0.65197 -0.10710 9 3PZ -0.95213 0.07989 0.11903 0.13802 -1.11202 10 4XX -0.01086 -0.09082 -0.08418 0.02708 0.09064 11 4YY -0.00034 -0.00656 -0.02569 0.00723 -0.00810 12 4ZZ -0.01298 0.04735 0.10266 0.02384 -0.11872 13 4XY -0.00407 0.10440 -0.12511 0.01347 0.00849 14 4XZ -0.01088 -0.03176 0.02079 -0.05647 0.02402 15 4YZ 0.00626 0.00933 -0.03012 0.01875 0.03749 16 2 C 1S -0.00021 -0.02010 -0.00438 -0.00222 0.00752 17 2S -0.58014 -0.14562 0.00605 -0.10265 0.25751 18 2PX -0.10213 0.04326 -0.03944 -0.09961 0.16405 19 2PY -0.09884 -0.07535 -0.06291 0.13996 0.04310 20 2PZ -0.10381 -0.14846 0.11901 -0.07800 -0.13854 21 3S 2.40362 -0.22025 0.11368 -0.94462 -0.57859 22 3PX -0.78523 0.09413 -0.27829 0.81557 -1.00486 23 3PY 0.99616 0.33118 0.36302 -0.64986 -0.10554 24 3PZ 0.95061 0.10028 0.12198 -0.13956 1.11370 25 4XX 0.01284 -0.09080 -0.08400 -0.02744 -0.08824 26 4YY 0.00103 -0.00648 -0.02591 -0.00753 0.00771 27 4ZZ 0.01160 0.04745 0.10295 -0.02323 0.11815 28 4XY -0.00169 -0.10445 0.12490 0.01421 0.00623 29 4XZ 0.01136 -0.03130 0.02067 0.05666 -0.02473 30 4YZ 0.00621 -0.00925 0.02968 0.01882 0.03733 31 3 C 1S -0.00043 0.02226 0.04280 0.00008 0.00044 32 2S -0.00641 0.30674 0.74476 0.00173 0.00720 33 2PX 0.00038 -0.06265 0.28999 0.00095 -0.00008 34 2PY 0.03738 0.00034 0.00005 0.00611 0.05640 35 2PZ -0.00212 0.17966 -0.02063 -0.00039 -0.00014 36 3S 0.01170 -0.52614 -1.16768 -0.00231 -0.02110 37 3PX 0.00609 -0.47138 -0.39053 0.00041 0.00021 38 3PY 0.44423 0.00416 0.00385 -0.60864 0.11057 39 3PZ 0.00910 -0.72197 -0.41012 0.00032 0.00195 40 4XX -0.00030 0.00520 -0.00716 0.00017 0.00045 41 4YY 0.00052 -0.04347 0.11031 0.00035 -0.00059 42 4ZZ -0.00207 0.15076 0.01013 -0.00035 0.00072 43 4XY 0.00372 0.00035 0.00020 -0.01963 0.07458 44 4XZ 0.00274 -0.20509 -0.00396 0.00028 -0.00049 45 4YZ -0.07036 -0.00080 -0.00017 0.06269 0.01605 46 4 O 1S -0.00251 -0.01387 0.01447 0.00271 -0.00406 47 2S 0.07285 -0.27593 0.18900 0.02915 -0.01563 48 2PX -0.01263 -0.42861 0.05292 0.14253 0.02233 49 2PY -0.03067 -0.16174 -0.23462 -0.02816 -0.10594 50 2PZ 0.25463 -0.11151 0.00107 -0.24883 0.09530 51 3S 0.36916 0.67087 -0.37482 -0.15598 0.48416 52 3PX 0.37227 0.80689 -0.10458 -0.46382 0.16952 53 3PY -0.01768 0.27391 0.48000 0.08512 0.17087 54 3PZ -0.59805 0.13210 0.11672 0.65244 -0.21786 55 4XX 0.03727 -0.09294 0.09089 -0.00340 -0.08742 56 4YY 0.04241 0.04914 0.04947 0.00800 0.01558 57 4ZZ -0.01271 -0.19994 0.00778 0.00457 0.05254 58 4XY -0.00159 0.01874 0.01830 -0.03729 -0.00490 59 4XZ -0.05806 0.04947 -0.05271 -0.02314 -0.06233 60 4YZ -0.00786 0.05390 -0.06425 0.03407 0.00332 61 5 H 1S -0.19128 -0.05103 0.24726 0.01547 -0.33454 62 2S -0.20172 0.18337 -0.10140 0.16576 -0.33795 63 6 H 1S 0.19158 -0.04658 0.24765 -0.01392 0.33556 64 2S 0.19813 0.18616 -0.10034 -0.16814 0.34230 65 7 H 1S -0.00101 0.03255 0.16183 0.00012 0.00206 66 2S -0.00806 0.59777 0.58127 0.00048 0.00173 67 8 O 1S 0.00287 -0.01387 0.01442 -0.00261 0.00387 68 2S -0.06591 -0.27792 0.18777 -0.02763 0.01531 69 2PX 0.02214 -0.42859 0.05439 -0.13993 -0.01905 70 2PY -0.03529 0.16058 0.23440 -0.02781 -0.10428 71 2PZ -0.25329 -0.11527 -0.00034 0.25064 -0.09783 72 3S -0.38769 0.66387 -0.37281 0.15359 -0.47726 73 3PX -0.38966 0.80025 -0.10955 0.45908 -0.17785 74 3PY -0.01070 -0.27327 -0.47977 0.08477 0.16996 75 3PZ 0.59655 0.14125 0.12118 -0.65523 0.22570 76 4XX -0.03462 -0.09354 0.09053 0.00428 0.08563 77 4YY -0.04391 0.04800 0.04876 -0.00822 -0.01371 78 4ZZ 0.01785 -0.19996 0.00767 -0.00396 -0.05387 79 4XY -0.00143 -0.01922 -0.01785 -0.03704 -0.00421 80 4XZ 0.05697 0.05099 -0.05261 0.02262 0.06159 81 4YZ -0.00693 -0.05343 0.06403 0.03501 0.00209 82 9 H 1S 0.00246 -0.23459 0.17306 0.00099 0.00210 83 2S -0.00124 0.03987 -0.11284 -0.00022 0.00386 84 10 C 1S -0.00266 0.00058 -0.00161 -0.00950 -0.04037 85 2S -0.01432 0.03918 -0.18276 -0.35370 -0.90773 86 2PX 0.00682 0.01678 -0.00086 0.08073 0.03465 87 2PY -0.05777 -0.07615 -0.04390 -0.07594 -0.00064 88 2PZ -0.05679 -0.02592 0.05187 -0.11833 0.15795 89 3S -0.38109 -0.43785 0.02177 -0.07386 3.45183 90 3PX -0.62534 -0.05849 -0.10516 -0.45736 0.04096 91 3PY 0.21819 0.32243 0.42917 -0.85439 0.19848 92 3PZ 1.03943 0.09919 0.14635 0.27773 -0.76799 93 4XX -0.05826 0.02243 -0.00632 -0.02565 -0.04026 94 4YY 0.00393 -0.00963 -0.02824 -0.01233 -0.01645 95 4ZZ 0.06690 -0.00495 0.02339 -0.00023 -0.03159 96 4XY -0.03520 0.01140 0.11163 -0.02812 0.06135 97 4XZ 0.01249 0.00430 -0.00703 0.05155 0.07697 98 4YZ 0.05287 0.04332 0.12670 0.00007 -0.01132 99 11 C 1S 0.00780 0.00333 0.00505 0.02083 0.00080 100 2S -0.40217 0.26829 0.07532 0.20134 0.26686 101 2PX -0.03697 -0.16540 0.02947 -0.02821 0.02197 102 2PY -0.29273 -0.06023 0.10137 -0.33543 0.05162 103 2PZ 0.14027 0.01389 0.08652 -0.02020 -0.07003 104 3S -0.28188 -0.39032 -0.77394 -1.58419 -0.88072 105 3PX -0.01884 0.43238 0.17149 0.24614 -0.56488 106 3PY 0.60949 0.04688 -0.87524 1.77412 -0.14420 107 3PZ -0.62327 -0.27259 -0.95880 0.38193 0.33646 108 4XX 0.02649 -0.03251 -0.05369 -0.00327 -0.04331 109 4YY -0.02246 0.01578 -0.01857 0.13665 -0.00443 110 4ZZ -0.02504 0.04172 0.06178 -0.08055 0.04721 111 4XY 0.04138 -0.01450 0.01887 -0.05767 0.05133 112 4XZ 0.10586 -0.00212 -0.00800 0.01887 0.02249 113 4YZ 0.03874 0.01749 -0.00928 0.02241 0.07779 114 12 C 1S -0.02842 0.00226 -0.03876 0.01339 -0.01227 115 2S -0.38637 0.04991 -0.80767 0.18448 -0.28414 116 2PX -0.08507 -0.01554 0.11808 0.00219 -0.14968 117 2PY 0.01145 0.04199 -0.04719 -0.04726 0.01397 118 2PZ -0.12656 -0.10805 0.03562 0.16588 -0.03474 119 3S 1.27157 0.36681 2.26668 -1.54525 0.90815 120 3PX 0.42556 -0.06292 -0.04904 -0.38238 0.81360 121 3PY -0.53702 -0.17351 -0.29731 -1.06619 0.24606 122 3PZ 0.56716 0.05586 -0.52313 -0.43845 0.39336 123 4XX 0.01112 -0.00130 0.00535 -0.00963 0.00532 124 4YY -0.01703 -0.01443 -0.07319 -0.01440 -0.01289 125 4ZZ -0.05131 0.02425 -0.05730 0.03742 -0.02314 126 4XY 0.00196 -0.00965 -0.06095 0.00514 0.00675 127 4XZ -0.06471 -0.04602 0.00085 0.04346 -0.09972 128 4YZ -0.03522 0.00045 0.08705 -0.06276 -0.00498 129 13 C 1S 0.02842 0.00290 -0.03858 -0.01372 0.01276 130 2S 0.38563 0.05833 -0.80609 -0.19048 0.29037 131 2PX 0.08643 -0.01345 0.11805 -0.00165 0.15261 132 2PY 0.01201 -0.04196 0.04732 -0.04652 0.01458 133 2PZ 0.12905 -0.10571 0.03673 -0.16486 0.03549 134 3S -1.28368 0.34287 2.25469 1.56052 -0.93242 135 3PX -0.42777 -0.07265 -0.05062 0.38302 -0.82016 136 3PY -0.54056 0.15889 0.30254 -1.06435 0.23837 137 3PZ -0.56727 0.04321 -0.52417 0.43190 -0.39107 138 4XX -0.01095 -0.00166 0.00529 0.00924 -0.00365 139 4YY 0.01750 -0.01398 -0.07297 0.01416 0.01343 140 4ZZ 0.05051 0.02549 -0.05728 -0.03774 0.02214 141 4XY 0.00147 0.00981 0.06080 0.00513 0.00835 142 4XZ 0.06542 -0.04454 0.00103 -0.04304 0.09952 143 4YZ -0.03475 -0.00160 -0.08684 -0.06321 -0.00461 144 14 C 1S -0.00793 0.00304 0.00510 -0.02073 -0.00118 145 2S 0.39833 0.27723 0.07782 -0.20111 -0.27180 146 2PX 0.04082 -0.16541 0.02931 0.02860 -0.01997 147 2PY -0.29273 0.05192 -0.10026 -0.33662 0.05197 148 2PZ -0.14250 0.01106 0.08570 0.02009 0.06952 149 3S 0.28225 -0.37423 -0.78443 1.57964 0.89326 150 3PX 0.00525 0.43612 0.16845 -0.24567 0.55645 151 3PY 0.60570 -0.02604 0.86823 1.77916 -0.13987 152 3PZ 0.63869 -0.26276 -0.95163 -0.38469 -0.32706 153 4XX -0.02616 -0.03305 -0.05393 0.00381 0.04281 154 4YY 0.02243 0.01596 -0.01784 -0.13701 0.00353 155 4ZZ 0.02434 0.04242 0.06148 0.08040 -0.04613 156 4XY 0.04086 0.01525 -0.01856 -0.05787 0.05127 157 4XZ -0.10552 -0.00485 -0.00822 -0.01933 -0.02108 158 4YZ 0.03880 -0.01656 0.00892 0.02183 0.07829 159 15 C 1S 0.00247 0.00069 -0.00175 0.00954 0.04022 160 2S 0.00991 0.04202 -0.18709 0.35415 0.90354 161 2PX -0.00634 0.01595 -0.00029 -0.08153 -0.03313 162 2PY -0.06000 0.07465 0.04401 -0.07664 0.00038 163 2PZ 0.05690 -0.02371 0.05175 0.11885 -0.15917 164 3S 0.40353 -0.43387 0.03054 0.07282 -3.44255 165 3PX 0.62312 -0.03876 -0.10713 0.45924 -0.04566 166 3PY 0.23283 -0.32318 -0.42221 -0.85423 0.19700 167 3PZ -1.04010 0.07024 0.14460 -0.28003 0.77265 168 4XX 0.05779 0.02390 -0.00623 0.02501 0.04076 169 4YY -0.00433 -0.00954 -0.02822 0.01247 0.01579 170 4ZZ -0.06657 -0.00658 0.02276 0.00068 0.03173 171 4XY -0.03507 -0.01225 -0.11163 -0.02867 0.06154 172 4XZ -0.01233 0.00384 -0.00662 -0.05180 -0.07627 173 4YZ 0.05410 -0.04210 -0.12670 -0.00024 -0.01173 174 16 H 1S 0.39783 0.07776 0.14245 -0.05153 -0.37774 175 2S 0.39048 0.14258 -0.02343 0.02647 -0.65639 176 17 H 1S 0.09894 -0.04499 -0.13719 0.54270 0.05447 177 2S 0.29699 0.20608 -0.30891 0.82698 0.06605 178 18 H 1S 0.00047 0.08600 -0.10674 -0.14463 0.08795 179 2S -0.46081 -0.24618 -0.36916 0.08245 -0.02828 180 19 H 1S -0.00171 0.08654 -0.10646 0.14262 -0.08572 181 2S 0.46271 -0.23608 -0.36843 -0.08315 0.02851 182 20 H 1S -0.09760 -0.04951 -0.13436 -0.54261 -0.05761 183 2S -0.29841 0.19606 -0.30435 -0.82891 -0.06764 184 21 H 1S -0.40072 0.06859 0.14067 0.05205 0.37776 185 2S -0.39464 0.13294 -0.02568 -0.02784 0.65859 186 22 H 1S -0.25537 0.04117 -0.13670 0.08237 -0.18461 187 2S -0.49641 -0.07259 -0.13608 0.20970 -0.35397 188 23 H 1S 0.25501 0.04712 -0.13619 -0.08387 0.18649 189 2S 0.49942 -0.06164 -0.13469 -0.21025 0.36075 116 117 118 119 120 V V V V V Eigenvalues -- 1.26441 1.36726 1.37043 1.39833 1.42713 1 1 C 1S -0.01138 0.01629 0.02495 -0.02885 0.00976 2 2S -0.32041 0.38588 0.34667 -0.50833 0.36928 3 2PX -0.13312 0.07717 0.03588 -0.14996 0.07947 4 2PY -0.11084 -0.04019 -0.00245 0.04261 0.06951 5 2PZ 0.01402 0.17894 0.08628 -0.10613 -0.00327 6 3S 0.36552 -0.59616 -1.52430 1.14689 -1.28380 7 3PX 0.45237 0.20432 -0.42189 -0.04991 0.35617 8 3PY 0.23778 0.13489 1.91554 0.11066 -0.34060 9 3PZ -0.25611 -0.51595 -0.13450 0.49924 0.18114 10 4XX -0.14302 -0.02640 0.15388 -0.13843 -0.01163 11 4YY 0.02600 0.05706 -0.01410 -0.09268 0.00101 12 4ZZ 0.02775 -0.01670 -0.08872 0.22904 -0.00600 13 4XY -0.12683 0.24424 -0.03579 -0.07516 0.01182 14 4XZ 0.04365 -0.17167 -0.06984 0.01076 -0.02505 15 4YZ 0.00784 0.10545 -0.00091 0.09652 -0.09715 16 2 C 1S -0.01124 0.01589 -0.02516 -0.02894 -0.00960 17 2S -0.31637 0.37852 -0.35264 -0.51064 -0.36694 18 2PX -0.13106 0.07637 -0.03664 -0.15017 -0.07903 19 2PY 0.11127 0.03944 -0.00265 -0.04242 0.07000 20 2PZ 0.01199 0.17698 -0.08938 -0.10705 0.00345 21 3S 0.35629 -0.56102 1.53225 1.15539 1.28111 22 3PX 0.43891 0.20913 0.41752 -0.05067 -0.35538 23 3PY -0.23876 -0.08974 1.91731 -0.10432 -0.34170 24 3PZ -0.24088 -0.51023 0.14673 0.49870 -0.18263 25 4XX -0.14444 -0.02899 -0.15259 -0.14014 0.01120 26 4YY 0.02604 0.05798 0.01336 -0.09235 -0.00049 27 4ZZ 0.02972 -0.01560 0.08802 0.23017 0.00620 28 4XY 0.12672 -0.24461 -0.03131 0.07502 0.01044 29 4XZ 0.04350 -0.17032 0.07352 0.01129 0.02483 30 4YZ -0.00749 -0.10515 0.00176 -0.09784 -0.09751 31 3 C 1S -0.05235 -0.00937 0.00003 0.02837 -0.00002 32 2S -0.82036 0.04643 -0.00119 0.32662 -0.00009 33 2PX 0.05172 -0.02876 0.00031 0.04112 -0.00015 34 2PY 0.00054 -0.00213 -0.17746 -0.00008 0.06183 35 2PZ 0.00190 0.03012 -0.00058 0.01055 0.00003 36 3S 2.59772 -0.03902 0.00247 -1.08463 -0.00060 37 3PX -0.02748 0.30923 -0.00228 -0.26527 0.00074 38 3PY 0.00222 -0.01104 -0.98895 -0.00080 0.27295 39 3PZ -0.30549 0.12319 -0.00195 0.05741 0.00144 40 4XX -0.08373 0.07473 -0.00102 0.08338 0.00008 41 4YY 0.10590 -0.07446 0.00061 -0.00383 -0.00063 42 4ZZ -0.08512 -0.01016 0.00040 -0.05404 0.00047 43 4XY 0.00083 -0.00090 -0.06751 0.00114 0.36265 44 4XZ 0.07624 -0.12740 0.00130 0.04471 0.00024 45 4YZ 0.00048 0.00151 0.16910 0.00143 0.29067 46 4 O 1S 0.01455 -0.01726 -0.00025 0.01511 -0.01371 47 2S 0.05337 -0.18687 0.12036 0.14293 -0.27674 48 2PX -0.21562 0.04059 0.30905 0.07843 -0.05417 49 2PY 0.04482 -0.02474 0.10771 0.03042 0.02988 50 2PZ 0.11106 0.10795 -0.23905 -0.01650 0.19766 51 3S -0.51248 0.73500 -0.08353 -0.51246 0.78578 52 3PX 0.58459 0.02030 -0.94677 -0.49914 0.27180 53 3PY 0.07812 -0.04842 -0.50172 -0.07360 -0.00154 54 3PZ -0.39800 -0.27044 0.86130 0.18061 -0.65065 55 4XX 0.11570 -0.05549 -0.01930 0.19716 -0.23038 56 4YY -0.11124 0.05089 -0.03241 0.00914 -0.05896 57 4ZZ 0.09529 -0.18471 0.13034 -0.06278 0.07377 58 4XY 0.06687 -0.09049 -0.06482 -0.06288 -0.20190 59 4XZ 0.02350 0.00002 -0.10066 0.04604 0.06396 60 4YZ -0.07750 0.01239 0.05879 -0.12341 -0.19183 61 5 H 1S -0.00766 -0.04642 -0.14482 -0.04219 0.15838 62 2S -0.38002 -0.19969 -0.29672 -0.02674 0.29785 63 6 H 1S -0.00296 -0.04271 0.14612 -0.04174 -0.15857 64 2S -0.37496 -0.19154 0.30071 -0.02629 -0.29792 65 7 H 1S -0.24456 -0.12870 0.00103 0.14248 -0.00015 66 2S -0.15183 0.08181 -0.00137 0.16889 -0.00060 67 8 O 1S 0.01453 -0.01711 0.00055 0.01504 0.01360 68 2S 0.05241 -0.18688 -0.11676 0.14146 0.27628 69 2PX -0.21529 0.03427 -0.30974 0.07706 0.05490 70 2PY -0.04681 0.02745 0.10689 -0.03026 0.03001 71 2PZ 0.10911 0.11289 0.23677 -0.01697 -0.19761 72 3S -0.51558 0.72964 0.06981 -0.51026 -0.78293 73 3PX 0.58076 0.03952 0.94749 -0.49561 -0.27293 74 3PY -0.07378 0.03612 -0.50115 0.07253 -0.00133 75 3PZ -0.39382 -0.28795 -0.85700 0.18077 0.64999 76 4XX 0.11718 -0.05517 0.01984 0.19888 0.23069 77 4YY -0.11223 0.05259 0.03105 0.00826 0.05951 78 4ZZ 0.09406 -0.18641 -0.12584 -0.06476 -0.07523 79 4XY -0.06693 0.08912 -0.06722 0.06151 -0.20134 80 4XZ 0.02439 0.00162 0.10015 0.04698 -0.06398 81 4YZ 0.07680 -0.01068 0.05890 0.12285 -0.19158 82 9 H 1S -0.23102 0.05447 -0.00044 0.04462 0.00024 83 2S -0.48236 0.12574 -0.00124 -0.00429 0.00041 84 10 C 1S 0.01196 0.00365 0.02927 -0.00457 0.01972 85 2S 0.34188 0.09401 0.56081 -0.12111 0.40283 86 2PX -0.10625 -0.06393 -0.03648 -0.02800 -0.00526 87 2PY 0.08210 0.00656 -0.01918 -0.06958 -0.02542 88 2PZ 0.10650 0.04009 0.07470 -0.05048 0.09573 89 3S -0.60010 -0.24140 -1.90230 0.02685 -2.71392 90 3PX 0.43456 0.23905 0.59471 -0.28774 0.90101 91 3PY -0.19835 -0.02975 -0.41356 0.40932 -1.27746 92 3PZ -0.41053 -0.18051 -0.25694 0.39567 -1.30370 93 4XX -0.00622 -0.15041 0.12375 -0.19789 0.08304 94 4YY 0.06986 0.04897 0.00175 -0.04159 -0.00138 95 4ZZ -0.05204 0.09782 -0.07933 0.22853 -0.07181 96 4XY 0.00377 -0.04171 0.00530 -0.02400 -0.01587 97 4XZ -0.04816 -0.05881 -0.05432 0.06702 0.00696 98 4YZ -0.01379 -0.05300 0.02932 -0.11109 -0.01213 99 11 C 1S 0.02395 -0.00363 0.00679 0.03046 -0.00202 100 2S 0.22321 -0.04324 0.01125 0.38672 -0.13187 101 2PX -0.09507 -0.00035 0.04881 -0.08870 0.04703 102 2PY -0.00710 -0.08389 0.06422 0.07751 -0.07207 103 2PZ 0.03938 0.00484 0.04298 0.00862 -0.01734 104 3S -0.73041 -0.18195 0.47930 -1.03283 1.48935 105 3PX 0.48812 0.08950 -0.14599 0.30211 0.17128 106 3PY 0.42343 0.06595 -0.28868 -0.47467 1.33779 107 3PZ -0.58556 -0.42671 -0.45771 -0.25067 0.28424 108 4XX -0.00561 0.08706 -0.09762 0.19274 -0.03589 109 4YY 0.06287 0.05428 -0.02967 -0.05823 0.06561 110 4ZZ -0.04280 -0.15577 0.12301 -0.07157 0.00247 111 4XY -0.00066 0.05338 0.03289 0.04555 -0.05937 112 4XZ -0.07323 -0.05144 0.02002 0.00091 0.01922 113 4YZ 0.00084 0.09177 -0.08142 0.16014 -0.08263 114 12 C 1S -0.04216 -0.03946 -0.02395 0.00591 0.02058 115 2S -0.64113 -0.62220 -0.26882 0.37798 0.22959 116 2PX -0.18622 0.11257 -0.14842 0.00540 -0.08376 117 2PY 0.01368 -0.10124 0.05314 0.06533 -0.01110 118 2PZ 0.00010 0.20037 -0.08437 -0.15565 0.03426 119 3S 1.88508 1.35629 1.30084 0.01062 -1.59148 120 3PX 0.38375 -0.21745 0.85409 0.05766 0.28425 121 3PY -0.53533 -0.18149 0.30739 -0.18003 -0.32705 122 3PZ -0.11348 -0.40341 0.30063 -0.01819 0.36416 123 4XX -0.07920 -0.08669 0.02794 -0.06982 0.05283 124 4YY -0.04839 -0.05689 0.01150 0.00793 -0.00256 125 4ZZ 0.01795 0.07110 -0.07628 0.09434 -0.03828 126 4XY 0.09062 0.07362 -0.04559 0.07227 -0.02639 127 4XZ 0.00894 0.00339 -0.08880 -0.00179 -0.00911 128 4YZ 0.01382 -0.13523 0.04245 -0.00561 -0.02411 129 13 C 1S -0.04189 -0.03901 0.02469 0.00610 -0.02054 130 2S -0.63584 -0.61683 0.27874 0.38028 -0.23086 131 2PX -0.18420 0.11612 0.14557 0.00734 0.08275 132 2PY -0.01352 0.10201 0.05123 -0.06467 -0.01090 133 2PZ 0.00110 0.20197 0.08106 -0.15504 -0.03333 134 3S 1.86502 1.33409 -1.32853 0.00257 1.58614 135 3PX 0.37249 -0.23938 -0.84886 0.04826 -0.28279 136 3PY 0.54230 0.19094 0.30321 0.18395 -0.32770 137 3PZ -0.11956 -0.41324 -0.29000 -0.02312 -0.36233 138 4XX -0.07903 -0.08774 -0.02492 -0.07026 -0.05129 139 4YY -0.04824 -0.05762 -0.01056 0.00777 0.00261 140 4ZZ 0.01819 0.07369 0.07352 0.09534 0.03666 141 4XY -0.09057 -0.07459 -0.04262 -0.07269 -0.02399 142 4XZ 0.01050 0.00520 0.08804 -0.00056 0.00795 143 4YZ -0.01383 0.13618 0.03973 0.00590 -0.02376 144 14 C 1S 0.02390 -0.00355 -0.00677 0.03052 0.00197 145 2S 0.21852 -0.03842 -0.01099 0.38706 0.13121 146 2PX -0.09530 -0.00271 -0.04825 -0.08853 -0.04649 147 2PY 0.00838 0.08569 0.06338 -0.07721 -0.07104 148 2PZ 0.04059 0.00370 -0.04354 0.00885 0.01681 149 3S -0.71614 -0.21511 -0.47627 -1.04126 -1.48829 150 3PX 0.49692 0.09297 0.14028 0.30396 -0.17728 151 3PY -0.42871 -0.06754 -0.29489 0.47649 1.32822 152 3PZ -0.59162 -0.41612 0.47064 -0.24968 -0.27562 153 4XX -0.00512 0.08889 0.09394 0.19387 0.03366 154 4YY 0.06312 0.05563 0.02942 -0.05754 -0.06486 155 4ZZ -0.04366 -0.15861 -0.11894 -0.07318 -0.00111 156 4XY 0.00166 -0.05245 0.03394 -0.04435 -0.05957 157 4XZ -0.07356 -0.05193 -0.01808 0.00060 -0.01804 158 4YZ 0.00044 -0.09370 -0.07808 -0.16074 -0.08129 159 15 C 1S 0.01258 0.00289 -0.02939 -0.00478 -0.01972 160 2S 0.35494 0.07885 -0.56248 -0.12514 -0.40149 161 2PX -0.10643 -0.06293 0.03808 -0.02796 0.00548 162 2PY -0.08201 -0.00712 -0.01998 0.06944 -0.02673 163 2PZ 0.10389 0.03762 -0.07493 -0.05141 -0.09465 164 3S -0.65428 -0.18273 1.91289 0.04380 2.71947 165 3PX 0.43437 0.21808 -0.59762 -0.29305 -0.89749 166 3PY 0.20373 0.01795 -0.40771 -0.41785 -1.27091 167 3PZ -0.39897 -0.16493 0.25680 0.40130 1.29650 168 4XX -0.00555 -0.15316 -0.11898 -0.19881 -0.08053 169 4YY 0.07004 0.04881 -0.00274 -0.04176 0.00150 170 4ZZ -0.05163 0.09968 0.07564 0.22941 0.06940 171 4XY -0.00279 0.04166 0.00412 0.02386 -0.01599 172 4XZ -0.04917 -0.05785 0.05520 0.06704 -0.00722 173 4YZ 0.01376 0.05339 0.02784 0.11096 -0.01279 174 16 H 1S -0.07197 -0.04180 0.01190 0.19069 -0.23733 175 2S -0.22599 -0.14952 -0.04618 0.24030 -0.43933 176 17 H 1S 0.24025 -0.08151 -0.12148 0.04781 0.16556 177 2S 0.14684 0.05160 -0.11991 -0.05595 0.34202 178 18 H 1S -0.15588 -0.17480 0.07282 -0.03487 0.13058 179 2S -0.12960 -0.30838 0.06472 0.14710 0.17743 180 19 H 1S -0.15670 -0.17737 -0.06907 -0.03588 -0.13039 181 2S -0.12825 -0.31126 -0.05910 0.14588 -0.17641 182 20 H 1S 0.24040 -0.07831 0.12438 0.04848 -0.16389 183 2S 0.14712 0.05596 0.12115 -0.05572 -0.33796 184 21 H 1S -0.06648 -0.04080 -0.01332 0.19174 0.23449 185 2S -0.21619 -0.14567 0.04633 0.24266 0.43541 186 22 H 1S -0.17242 -0.21861 -0.17037 0.01977 0.00130 187 2S -0.47351 0.10709 -0.39469 0.00248 -0.05633 188 23 H 1S -0.16963 -0.21415 0.17448 0.02114 -0.00136 189 2S -0.46804 0.11595 0.39142 0.00689 0.05545 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43858 1.47573 1.49205 1.52643 1 1 C 1S -0.00370 -0.01670 0.00725 -0.02113 -0.00043 2 2S 0.00553 0.08632 0.14192 -0.09054 0.17296 3 2PX -0.01531 0.10395 0.06958 0.00624 0.07989 4 2PY 0.03615 0.01807 -0.00601 -0.03395 0.05624 5 2PZ 0.01488 0.08263 0.02891 -0.02030 0.02941 6 3S -0.11882 0.19250 -0.34452 -0.74657 -0.30811 7 3PX 0.06607 -0.02011 -0.08566 0.98218 -0.21416 8 3PY -0.11922 -0.27990 -0.10213 0.90061 -0.22988 9 3PZ -0.07237 -0.57108 -0.02778 -0.70073 0.03699 10 4XX 0.21552 -0.10582 -0.09948 -0.02434 -0.07293 11 4YY -0.00015 -0.00448 0.03963 -0.00390 0.03301 12 4ZZ -0.22942 0.06403 0.04357 -0.06277 0.00144 13 4XY -0.14677 -0.01757 0.06068 0.00358 -0.02551 14 4XZ 0.02628 -0.04639 -0.02073 -0.01968 -0.01810 15 4YZ -0.19425 0.04183 0.07831 0.04873 -0.01812 16 2 C 1S -0.00394 0.01646 0.00707 0.02107 -0.00053 17 2S 0.00274 -0.09016 0.13865 0.09081 0.17123 18 2PX -0.01503 -0.10511 0.06869 -0.00558 0.07938 19 2PY -0.03582 0.01739 0.00632 -0.03468 -0.05601 20 2PZ 0.01502 -0.08323 0.02742 0.02004 0.02890 21 3S -0.10471 -0.18602 -0.34468 0.74533 -0.30686 22 3PX 0.06295 0.02038 -0.07823 -0.98444 -0.21035 23 3PY 0.12387 -0.27985 0.09694 0.90230 0.22750 24 3PZ -0.07634 0.57275 -0.02684 0.70466 0.03629 25 4XX 0.21451 0.10844 -0.09942 0.02205 -0.07299 26 4YY -0.00102 0.00353 0.03997 0.00401 0.03292 27 4ZZ -0.22780 -0.06573 0.04273 0.06443 0.00132 28 4XY 0.14672 -0.01477 -0.06089 0.00459 0.02554 29 4XZ 0.02650 0.04727 -0.02024 0.01955 -0.01785 30 4YZ 0.19374 0.04418 -0.07869 0.04861 0.01795 31 3 C 1S 0.00075 0.00009 -0.00743 -0.00003 -0.00681 32 2S 0.01648 0.00101 -0.12552 -0.00076 -0.07181 33 2PX 0.00490 0.00012 -0.01565 0.00019 0.06207 34 2PY -0.00018 0.03462 0.00116 -0.22518 0.00044 35 2PZ 0.03078 0.00027 -0.04165 -0.00057 -0.01868 36 3S 0.03811 -0.00315 0.46565 0.00398 0.66473 37 3PX -0.12284 -0.00178 0.11284 -0.00012 -0.01757 38 3PY -0.00123 0.28179 0.00401 -0.72620 0.00143 39 3PZ -0.34167 -0.00195 0.18404 -0.00023 -0.18290 40 4XX -0.09713 -0.00046 0.02625 0.00007 -0.03331 41 4YY 0.02016 0.00050 0.02674 0.00025 0.04152 42 4ZZ 0.08018 0.00004 -0.04826 -0.00019 -0.00094 43 4XY 0.00221 -0.21240 -0.00028 -0.06653 0.00002 44 4XZ -0.03040 -0.00023 0.04433 0.00029 -0.03234 45 4YZ 0.00240 -0.27161 -0.00100 0.09119 -0.00026 46 4 O 1S -0.00047 0.00268 -0.00104 -0.05069 0.01123 47 2S -0.04654 0.00061 0.01119 -0.82264 0.14998 48 2PX -0.08816 -0.12822 -0.00139 0.02247 -0.03666 49 2PY -0.02532 -0.04651 -0.00265 0.19760 -0.05626 50 2PZ -0.02696 0.02970 0.04262 -0.07273 -0.00261 51 3S 0.09806 0.03010 -0.01522 2.36424 -0.47909 52 3PX 0.27409 0.39577 0.05446 -0.04262 0.15557 53 3PY 0.09837 0.14713 0.03239 -0.79002 0.27516 54 3PZ 0.13818 -0.07799 -0.18078 0.15887 -0.03698 55 4XX -0.22507 0.16169 0.09000 -0.13830 0.05528 56 4YY 0.02260 0.01338 -0.04297 -0.39769 0.04902 57 4ZZ 0.15995 -0.16842 -0.04357 -0.10220 0.01048 58 4XY 0.08342 0.11757 -0.01303 0.03627 0.01810 59 4XZ -0.08440 0.00731 0.03062 0.15601 -0.03371 60 4YZ 0.12773 0.05820 -0.06723 0.02914 -0.01964 61 5 H 1S -0.01298 -0.10322 0.05971 -0.24330 0.04644 62 2S 0.03411 -0.14261 0.07011 -0.37882 0.11127 63 6 H 1S -0.01429 0.10275 0.05844 0.24404 0.04571 64 2S 0.03212 0.14292 0.06950 0.38132 0.11032 65 7 H 1S 0.01688 0.00058 -0.03688 0.00000 -0.03035 66 2S 0.19117 0.00181 -0.23556 -0.00141 -0.00636 67 8 O 1S -0.00033 -0.00257 -0.00150 0.05083 0.01108 68 2S -0.04462 -0.00040 0.00369 0.82418 0.14740 69 2PX -0.08957 0.12737 -0.00062 -0.02307 -0.03654 70 2PY 0.02611 -0.04635 0.00048 0.19778 0.05567 71 2PZ -0.02767 -0.03056 0.04144 0.07336 -0.00289 72 3S 0.09159 -0.03240 0.00446 -2.36995 -0.47202 73 3PX 0.27772 -0.39486 0.05151 0.04398 0.15501 74 3PY -0.10103 0.14611 -0.02432 -0.79212 -0.27252 75 3PZ 0.14025 0.08208 -0.17840 -0.16162 -0.03673 76 4XX -0.22192 -0.16391 0.08811 0.14017 0.05475 77 4YY 0.02381 -0.01322 -0.04695 0.39717 0.04762 78 4ZZ 0.15726 0.17088 -0.04351 0.10224 0.01049 79 4XY -0.08608 0.11650 0.01312 0.03645 -0.01816 80 4XZ -0.08438 -0.00791 0.03226 -0.15569 -0.03324 81 4YZ -0.12994 0.05649 0.06726 0.03110 0.01965 82 9 H 1S -0.02914 0.00000 -0.03793 -0.00045 -0.03850 83 2S -0.02220 -0.00017 -0.00258 -0.00067 -0.13432 84 10 C 1S -0.00005 0.03414 0.00436 0.00390 0.00344 85 2S -0.06328 0.63134 -0.15058 0.09887 -0.13644 86 2PX -0.05040 -0.00909 0.08908 -0.03731 0.19629 87 2PY -0.06102 0.00161 -0.08893 0.00090 -0.07020 88 2PZ -0.08106 0.14293 -0.10317 0.05416 -0.03972 89 3S -0.34280 -4.16077 -0.47997 -1.30255 -0.48587 90 3PX -0.08386 1.46241 -0.14773 0.99472 -0.17893 91 3PY 0.50196 -2.49263 0.52541 0.16810 0.59100 92 3PZ 0.27800 -2.11374 0.13795 -1.13868 0.31720 93 4XX -0.21146 0.12200 0.07577 -0.14199 0.17112 94 4YY 0.00859 -0.00988 0.00911 0.01630 -0.07034 95 4ZZ 0.16898 -0.11171 -0.07939 0.12372 -0.07549 96 4XY 0.03937 -0.01237 0.09491 0.01607 -0.42470 97 4XZ -0.00107 -0.00771 0.00390 0.04670 -0.09852 98 4YZ -0.03363 -0.02833 0.17977 -0.03337 -0.26623 99 11 C 1S -0.00105 -0.00065 -0.03044 -0.03131 -0.00596 100 2S 0.01650 -0.20683 -0.35117 -0.64330 0.04374 101 2PX -0.05080 0.19327 0.06842 0.11862 0.00958 102 2PY 0.07912 -0.06654 0.03640 -0.04170 0.03926 103 2PZ -0.00539 -0.09696 0.03679 0.03285 0.02624 104 3S -0.02451 2.13151 1.31096 2.41486 -0.17990 105 3PX 0.27500 -0.16810 0.12360 0.12914 0.23797 106 3PY -0.49710 1.88664 -0.32650 0.76049 -0.54240 107 3PZ -0.39019 0.68982 0.04373 -0.54751 -0.83878 108 4XX 0.14744 -0.02976 -0.03638 0.20743 0.05022 109 4YY -0.04523 0.07756 0.03829 -0.07447 0.00749 110 4ZZ -0.11601 -0.00356 -0.03310 -0.14430 -0.06478 111 4XY -0.01006 -0.03665 -0.25430 0.00161 -0.01551 112 4XZ -0.10680 0.01994 -0.18595 -0.00559 -0.01450 113 4YZ 0.10288 -0.14743 -0.08713 0.09018 -0.06523 114 12 C 1S -0.00878 0.01113 0.02554 -0.00783 -0.01518 115 2S -0.07644 0.10815 0.32075 -0.14319 -0.17824 116 2PX 0.11628 -0.14116 0.01876 -0.00563 0.05037 117 2PY 0.01556 -0.00939 0.01892 -0.03467 -0.04824 118 2PZ -0.02716 0.05462 0.00786 0.10731 -0.09728 119 3S 0.60800 -1.65649 -0.93078 -0.13774 0.98626 120 3PX -0.27247 0.75639 -0.15551 0.28998 -0.03554 121 3PY -0.14090 -0.05853 0.25733 -0.06305 -0.19524 122 3PZ -0.15618 0.73104 0.08210 0.12643 -0.26299 123 4XX -0.08200 0.09684 -0.15979 0.01176 0.03915 124 4YY -0.02741 0.00382 0.03132 -0.01707 0.05371 125 4ZZ 0.09977 -0.10376 0.15476 -0.01090 -0.09849 126 4XY 0.16083 -0.02475 0.28700 0.04699 0.05570 127 4XZ 0.09792 -0.01860 0.20155 0.06352 0.13123 128 4YZ 0.04300 -0.00991 0.06542 -0.02448 0.19144 129 13 C 1S -0.00878 -0.01125 0.02541 0.00819 -0.01520 130 2S -0.07676 -0.10872 0.31845 0.14843 -0.17899 131 2PX 0.11648 0.14130 0.02084 0.00551 0.05091 132 2PY -0.01529 -0.01026 -0.01871 -0.03516 0.04846 133 2PZ -0.02671 -0.05534 0.00874 -0.10793 -0.09690 134 3S 0.60405 1.66222 -0.91753 0.12477 0.99001 135 3PX -0.27279 -0.75788 -0.16447 -0.29174 -0.03994 136 3PY 0.13971 -0.05364 -0.25682 -0.06508 0.19479 137 3PZ -0.15477 -0.72975 0.07392 -0.12433 -0.26472 138 4XX -0.08150 -0.09600 -0.16016 -0.01325 0.03926 139 4YY -0.02741 -0.00446 0.03106 0.01771 0.05417 140 4ZZ 0.09927 0.10348 0.15530 0.01217 -0.09904 141 4XY -0.16109 -0.02339 -0.28835 0.04403 -0.05601 142 4XZ 0.09832 0.01753 0.20279 -0.06098 0.13149 143 4YZ -0.04310 -0.00988 -0.06543 -0.02625 -0.19122 144 14 C 1S -0.00103 0.00094 -0.03084 0.03097 -0.00615 145 2S 0.01604 0.21073 -0.35632 0.63932 0.04207 146 2PX -0.04962 -0.19498 0.06728 -0.11802 0.00930 147 2PY -0.07911 -0.06721 -0.03668 -0.04216 -0.03955 148 2PZ -0.00625 0.09610 0.03779 -0.03257 0.02655 149 3S -0.02098 -2.14229 1.31532 -2.39792 -0.17780 150 3PX 0.27298 0.16710 0.12897 -0.12704 0.23799 151 3PY 0.49288 1.88350 0.33773 0.76076 0.54809 152 3PZ -0.38532 -0.68686 0.03220 0.54829 -0.84092 153 4XX 0.14743 0.03090 -0.03415 -0.20777 0.05009 154 4YY -0.04463 -0.07799 0.03644 0.07431 0.00682 155 4ZZ -0.11644 0.00298 -0.03434 0.14449 -0.06437 156 4XY 0.01087 -0.03845 0.25386 0.00357 0.01522 157 4XZ -0.10691 -0.01911 -0.18639 0.00388 -0.01448 158 4YZ -0.10229 -0.14952 0.08426 0.09107 0.06482 159 15 C 1S 0.00003 -0.03420 0.00403 -0.00381 0.00334 160 2S -0.06212 -0.63034 -0.15649 -0.10006 -0.13859 161 2PX -0.05029 0.00750 0.08880 0.03864 0.19647 162 2PY 0.06079 0.00101 0.08891 0.00199 0.07049 163 2PZ -0.08090 -0.14275 -0.10447 -0.05546 -0.03990 164 3S -0.35251 4.16296 -0.44988 1.29348 -0.47566 165 3PX -0.08010 -1.45901 -0.15279 -0.99616 -0.18069 166 3PY -0.49348 -2.49378 -0.55538 0.15842 -0.59988 167 3PZ 0.27212 2.10951 0.14838 1.13987 0.32024 168 4XX -0.21103 -0.12465 0.07266 0.14322 0.16991 169 4YY 0.00840 0.01000 0.00970 -0.01637 -0.07034 170 4ZZ 0.16863 0.11386 -0.07698 -0.12458 -0.07429 171 4XY -0.03964 -0.01292 -0.09526 0.01636 0.42487 172 4XZ -0.00136 0.00807 0.00472 -0.04637 -0.09787 173 4YZ 0.03356 -0.02706 -0.17942 -0.03474 0.26598 174 16 H 1S 0.17106 -0.44213 0.09062 -0.12929 0.09541 175 2S 0.18748 -0.85236 0.23400 -0.34902 0.29542 176 17 H 1S -0.06514 0.25179 -0.19498 -0.00937 -0.13811 177 2S -0.22052 0.43302 -0.27088 0.00550 -0.19555 178 18 H 1S -0.01751 0.18215 0.06305 -0.03212 -0.07592 179 2S -0.28504 0.32666 0.16056 0.17445 -0.09854 180 19 H 1S -0.01753 -0.18252 0.06056 0.03280 -0.07685 181 2S -0.28401 -0.32949 0.15807 -0.17185 -0.09944 182 20 H 1S -0.06393 -0.24892 -0.19746 0.00770 -0.13912 183 2S -0.21952 -0.43018 -0.27548 -0.00800 -0.19728 184 21 H 1S 0.16962 0.44234 0.09427 0.13033 0.09643 185 2S 0.18489 0.85093 0.24029 0.35221 0.29737 186 22 H 1S -0.01858 -0.13128 0.14732 -0.17029 -0.01213 187 2S 0.07796 -0.20162 0.11982 -0.03189 -0.03520 188 23 H 1S -0.01897 0.13064 0.14775 0.17258 -0.01170 189 2S 0.07858 0.20066 0.12321 0.03286 -0.03396 126 127 128 129 130 V V V V V Eigenvalues -- 1.58529 1.63998 1.66107 1.72043 1.72342 1 1 C 1S 0.04039 -0.01162 -0.02972 0.00032 0.02816 2 2S 0.60338 -0.17942 -0.43846 -0.06823 0.23610 3 2PX 0.05226 -0.03007 -0.15242 -0.05008 0.06257 4 2PY 0.06572 0.02320 -0.05120 0.06844 0.02253 5 2PZ 0.00416 0.03314 -0.03689 -0.00733 0.05262 6 3S -1.94764 0.16579 1.51312 0.28668 -1.27829 7 3PX 0.02144 0.73204 0.44829 -0.16535 0.11146 8 3PY -0.80323 -0.35428 0.20390 -0.05037 -0.70224 9 3PZ -0.31396 -0.42056 -0.50350 0.12449 0.00571 10 4XX -0.13116 0.09431 -0.25038 0.00370 0.10759 11 4YY 0.01189 -0.00605 -0.00906 0.02791 -0.02844 12 4ZZ 0.14501 -0.11839 0.23983 -0.03029 -0.02919 13 4XY -0.13892 0.06823 -0.04785 0.04551 0.33921 14 4XZ 0.05060 0.04482 -0.06145 -0.05759 0.19801 15 4YZ -0.14705 0.01641 0.15503 -0.03969 0.13435 16 2 C 1S 0.04041 0.01133 0.02957 0.00036 0.02793 17 2S 0.60530 0.17597 0.43596 -0.06735 0.23446 18 2PX 0.05309 0.02966 0.15254 -0.04990 0.06272 19 2PY -0.06535 0.02322 -0.05177 -0.06855 -0.02123 20 2PZ 0.00394 -0.03334 0.03686 -0.00748 0.05339 21 3S -1.95572 -0.15340 -1.50945 0.28381 -1.26921 22 3PX 0.01874 -0.73224 -0.45030 -0.16523 0.11131 23 3PY 0.79874 -0.35973 0.20442 0.05087 0.69945 24 3PZ -0.31194 0.42147 0.50595 0.12529 0.00070 25 4XX -0.13183 -0.09443 0.25046 0.00380 0.10721 26 4YY 0.01124 0.00614 0.00838 0.02784 -0.02728 27 4ZZ 0.14620 0.11800 -0.23940 -0.03044 -0.03046 28 4XY 0.13928 0.06882 -0.04749 -0.04561 -0.33858 29 4XZ 0.05068 -0.04554 0.06136 -0.05762 0.19624 30 4YZ 0.14728 0.01656 0.15448 0.03982 -0.13493 31 3 C 1S -0.04133 0.00009 0.00009 -0.05864 -0.02125 32 2S -0.49554 0.00090 0.00093 -0.84687 -0.19666 33 2PX -0.01191 0.00002 0.00007 0.02793 0.06432 34 2PY 0.00026 -0.01591 -0.08181 0.00012 0.00051 35 2PZ -0.09204 0.00034 -0.00023 -0.07568 -0.13617 36 3S 2.24396 -0.00481 -0.00270 3.64326 1.56382 37 3PX 0.26800 -0.00092 -0.00040 0.60462 0.20157 38 3PY 0.00040 0.03191 -0.23352 0.00071 0.00092 39 3PZ -0.11181 -0.00057 0.00056 -0.76021 0.11864 40 4XX 0.02134 -0.00005 -0.00012 -0.00280 -0.11159 41 4YY 0.05038 -0.00015 0.00005 0.14358 0.22970 42 4ZZ -0.03713 0.00012 0.00011 -0.11903 -0.09353 43 4XY 0.00026 -0.03201 0.10541 0.00012 0.00006 44 4XZ 0.01875 -0.00040 0.00034 -0.19577 0.22866 45 4YZ 0.00027 -0.04281 0.13029 0.00029 0.00024 46 4 O 1S -0.00352 -0.02175 0.00015 0.05705 -0.00403 47 2S -0.06676 -0.45230 0.05898 0.82067 0.00238 48 2PX -0.13673 -0.07052 0.01638 -0.03122 -0.04620 49 2PY -0.08860 0.05034 -0.02740 -0.07975 -0.15040 50 2PZ 0.12587 0.05542 -0.10636 -0.02374 0.07627 51 3S 0.23603 1.23878 -0.04431 -2.75118 0.11451 52 3PX 0.73383 0.35825 -0.25345 0.20164 0.55322 53 3PY 0.42664 -0.15337 -0.05227 0.90074 0.47621 54 3PZ -0.60156 -0.22721 0.24522 -0.12639 -0.58411 55 4XX 0.00849 -0.20404 0.27269 0.14586 0.00105 56 4YY -0.08072 -0.11461 -0.10905 0.38209 -0.10470 57 4ZZ 0.02471 0.01798 -0.14082 0.03694 0.11338 58 4XY -0.01811 0.13329 -0.15279 -0.04043 0.14792 59 4XZ 0.05811 0.10963 0.01009 -0.24398 0.08456 60 4YZ -0.08770 0.15812 -0.29320 -0.07046 -0.05506 61 5 H 1S 0.16754 -0.00512 -0.34637 -0.04359 0.33642 62 2S 0.33026 -0.10444 -0.44319 0.02576 0.31297 63 6 H 1S 0.16798 0.00334 0.34722 -0.04315 0.33450 64 2S 0.33054 0.10254 0.44402 0.02679 0.30848 65 7 H 1S -0.18734 0.00060 0.00029 -0.12829 -0.17605 66 2S -0.33595 0.00105 -0.00002 -0.33488 -0.27006 67 8 O 1S -0.00353 0.02183 -0.00009 0.05701 -0.00401 68 2S -0.06712 0.45338 -0.05900 0.81971 0.00373 69 2PX -0.13692 0.07097 -0.01644 -0.03129 -0.04591 70 2PY 0.08811 0.04986 -0.02753 0.07955 0.15104 71 2PZ 0.12569 -0.05612 0.10632 -0.02342 0.07636 72 3S 0.23666 -1.24291 0.04321 -2.74885 0.11273 73 3PX 0.73388 -0.36186 0.25236 0.20242 0.55136 74 3PY -0.42436 -0.15208 -0.05211 -0.89996 -0.47556 75 3PZ -0.60156 0.23101 -0.24457 -0.12866 -0.58281 76 4XX 0.00902 0.20378 -0.27230 0.14517 0.00230 77 4YY -0.08110 0.11512 0.10945 0.38173 -0.10587 78 4ZZ 0.02437 -0.01753 0.14027 0.03741 0.11388 79 4XY 0.01828 0.13374 -0.15340 0.04039 -0.14804 80 4XZ 0.05817 -0.11029 -0.01012 -0.24367 0.08242 81 4YZ 0.08772 0.15793 -0.29312 0.07062 0.05571 82 9 H 1S -0.23764 0.00047 0.00028 -0.28607 -0.09489 83 2S -0.17552 0.00011 0.00030 -0.31667 -0.09933 84 10 C 1S 0.00885 -0.01623 -0.01322 0.00189 0.00718 85 2S 0.08423 -0.44134 -0.29834 0.04368 0.01859 86 2PX 0.01972 0.14526 0.08147 -0.00719 0.00753 87 2PY -0.03692 -0.02984 0.00638 0.10111 0.02932 88 2PZ -0.01436 -0.03076 -0.01765 -0.01902 -0.04831 89 3S -0.58752 1.82373 1.23595 0.06328 -0.30410 90 3PX 0.22797 -1.09109 -0.48852 0.07089 0.19729 91 3PY 0.24787 0.84976 0.67272 -0.29266 -0.08389 92 3PZ -0.11269 1.25785 0.61253 -0.09133 -0.08375 93 4XX -0.04420 0.24423 0.08673 -0.01900 -0.17713 94 4YY 0.03265 -0.01278 0.00067 -0.09005 0.00039 95 4ZZ 0.04256 -0.20707 -0.08523 0.12185 0.20114 96 4XY -0.07934 -0.01565 0.01723 0.12206 0.03089 97 4XZ -0.03913 0.06658 0.03818 0.04748 0.02477 98 4YZ 0.04087 0.09549 0.05272 0.01489 0.00579 99 11 C 1S -0.06584 -0.00860 -0.02089 -0.00391 -0.00646 100 2S -0.86212 -0.20984 -0.24295 0.00397 -0.14027 101 2PX 0.12219 0.04577 0.02968 -0.01782 -0.00254 102 2PY 0.03357 -0.05596 -0.01738 0.01683 -0.04979 103 2PZ 0.06076 0.11510 0.03258 0.09014 -0.03370 104 3S 2.89457 -0.71087 0.02288 0.22184 0.43971 105 3PX -0.56300 -0.17935 -0.19322 -0.07384 -0.04560 106 3PY -0.24537 -0.40241 -0.29851 0.31816 0.55761 107 3PZ 0.09318 -0.11894 -0.17481 0.12333 -0.12217 108 4XX 0.01399 -0.21269 -0.09813 0.05743 0.09037 109 4YY -0.05875 0.01268 -0.03542 -0.02426 -0.08393 110 4ZZ -0.01397 0.19986 0.09827 -0.01173 0.00709 111 4XY 0.13067 -0.18277 -0.08507 0.04378 0.02075 112 4XZ 0.08670 0.04647 -0.01109 0.09320 0.04438 113 4YZ 0.10342 -0.21189 -0.09645 -0.16229 0.01308 114 12 C 1S 0.02592 -0.00205 -0.01449 0.01487 0.00402 115 2S 0.33638 -0.04700 -0.26293 0.19403 0.07437 116 2PX -0.02958 0.06849 0.04866 -0.04063 0.00042 117 2PY -0.00512 -0.00583 0.01059 -0.07002 0.05018 118 2PZ 0.05331 0.03402 0.02577 -0.06451 -0.05582 119 3S -1.45095 0.35397 0.94906 -0.58725 -0.11100 120 3PX -0.02292 -0.40961 -0.21812 0.11455 -0.01550 121 3PY 0.48918 0.20860 0.30307 0.12652 -0.16949 122 3PZ 0.32362 -0.20250 -0.00169 0.25187 0.19085 123 4XX -0.03683 -0.00071 0.00053 -0.04708 0.08692 124 4YY 0.01513 0.02167 0.01090 0.20206 0.04920 125 4ZZ 0.03277 -0.01278 -0.01280 -0.13423 -0.14557 126 4XY -0.00087 -0.05657 -0.00543 0.04724 -0.05486 127 4XZ -0.12898 0.07542 0.04127 0.07541 0.04494 128 4YZ -0.21136 0.06662 0.06045 -0.10551 0.20662 129 13 C 1S 0.02589 0.00185 0.01449 0.01460 0.00508 130 2S 0.33586 0.04518 0.26345 0.19083 0.08809 131 2PX -0.02983 -0.06836 -0.04879 -0.04072 0.00021 132 2PY 0.00499 -0.00539 0.01052 0.06992 -0.04954 133 2PZ 0.05336 -0.03447 -0.02617 -0.06429 -0.05717 134 3S -1.44744 -0.34482 -0.94820 -0.57386 -0.15878 135 3PX -0.01920 0.41051 0.21846 0.11584 -0.01534 136 3PY -0.48967 0.21038 0.30356 -0.12903 0.17772 137 3PZ 0.32189 0.19995 0.00188 0.24959 0.19704 138 4XX -0.03730 0.00062 -0.00072 -0.04710 0.08720 139 4YY 0.01442 -0.02194 -0.01103 0.20180 0.04954 140 4ZZ 0.03393 0.01311 0.01310 -0.13409 -0.14575 141 4XY 0.00066 -0.05655 -0.00557 -0.04750 0.05494 142 4XZ -0.12926 -0.07478 -0.04107 0.07533 0.04366 143 4YZ 0.21138 0.06605 0.05989 0.10578 -0.20484 144 14 C 1S -0.06584 0.00903 0.02095 -0.00380 -0.00652 145 2S -0.86079 0.21509 0.24402 0.00502 -0.14077 146 2PX 0.12178 -0.04634 -0.02972 -0.01765 -0.00299 147 2PY -0.03416 -0.05605 -0.01752 -0.01701 0.04906 148 2PZ 0.06031 -0.11504 -0.03255 0.08993 -0.03240 149 3S 2.89445 0.69249 -0.02621 0.21390 0.44928 150 3PX -0.56241 0.18265 0.19452 -0.07372 -0.04963 151 3PY 0.24799 -0.39951 -0.29679 -0.31568 -0.55702 152 3PZ 0.09209 0.11732 0.17397 0.12132 -0.11757 153 4XX 0.01534 0.21326 0.09823 0.05742 0.09135 154 4YY -0.05887 -0.01205 0.03553 -0.02494 -0.08384 155 4ZZ -0.01544 -0.20074 -0.09864 -0.01109 0.00681 156 4XY -0.13146 -0.18176 -0.08497 -0.04381 -0.01979 157 4XZ 0.08581 -0.04673 0.01091 0.09272 0.04604 158 4YZ -0.10479 -0.21109 -0.09634 0.16251 -0.01410 159 15 C 1S 0.00886 0.01617 0.01320 0.00186 0.00707 160 2S 0.08512 0.44094 0.29789 0.04298 0.01827 161 2PX 0.01901 -0.14535 -0.08127 -0.00699 0.00690 162 2PY 0.03660 -0.03007 0.00641 -0.10128 -0.02915 163 2PZ -0.01442 0.03094 0.01754 -0.01923 -0.04795 164 3S -0.58713 -1.81932 -1.23544 0.06854 -0.29909 165 3PX 0.23135 1.08805 0.48687 0.06873 0.19527 166 3PY -0.24881 0.85319 0.67313 0.29149 0.08429 167 3PZ -0.11555 -1.25444 -0.61035 -0.08853 -0.08180 168 4XX -0.04575 -0.24349 -0.08643 -0.01880 -0.17780 169 4YY 0.03303 0.01207 -0.00104 -0.09014 0.00056 170 4ZZ 0.04362 0.20688 0.08535 0.12177 0.20201 171 4XY 0.07910 -0.01608 0.01739 -0.12215 -0.03082 172 4XZ -0.03938 -0.06692 -0.03834 0.04726 0.02544 173 4YZ -0.04043 0.09599 0.05285 -0.01523 -0.00572 174 16 H 1S -0.02184 0.27190 0.14196 -0.03459 -0.03767 175 2S 0.02030 0.52926 0.24238 -0.09467 -0.04044 176 17 H 1S -0.40013 0.01276 -0.04634 0.09596 0.09116 177 2S -0.42898 -0.12512 -0.12512 0.09060 0.24713 178 18 H 1S 0.10218 -0.11455 -0.05501 0.01443 0.05250 179 2S 0.14226 -0.01860 -0.21772 0.17183 -0.08488 180 19 H 1S 0.10240 0.11367 0.05506 0.01366 0.05623 181 2S 0.14309 0.01861 0.21797 0.17124 -0.08227 182 20 H 1S -0.40097 -0.01087 0.04643 0.09635 0.09012 183 2S -0.42954 0.12560 0.12462 0.09023 0.24590 184 21 H 1S -0.02255 -0.27133 -0.14163 -0.03434 -0.03727 185 2S 0.01913 -0.52873 -0.24166 -0.09406 -0.04002 186 22 H 1S 0.13115 0.04047 -0.04350 0.01034 0.03199 187 2S 0.13337 0.18476 0.02267 -0.03783 -0.05665 188 23 H 1S 0.13064 -0.04150 0.04361 0.00943 0.03565 189 2S 0.13269 -0.18538 -0.02301 -0.03860 -0.05423 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79420 1.86000 1.87776 1 1 C 1S 0.00431 0.00094 -0.01067 0.00721 0.01825 2 2S -0.02535 -0.01299 -0.11668 0.15408 0.34302 3 2PX -0.00511 0.01365 0.05858 0.03443 -0.09238 4 2PY 0.10186 0.04656 0.07235 -0.00404 0.01827 5 2PZ -0.09589 -0.03127 -0.02677 0.01805 0.19941 6 3S 0.56322 0.02067 -0.05915 -0.62418 -0.43256 7 3PX -0.66942 -0.11247 0.00121 0.02090 0.02028 8 3PY -0.83685 -0.08648 -0.39726 0.30324 -0.01939 9 3PZ 0.98569 0.07632 0.28538 -0.09351 -0.17699 10 4XX -0.00662 0.01901 0.05959 0.02019 -0.08657 11 4YY -0.01804 0.02059 -0.03287 -0.00587 0.11507 12 4ZZ 0.08118 -0.05437 -0.03534 -0.03286 -0.06607 13 4XY 0.10466 0.07368 0.16379 -0.04396 -0.20797 14 4XZ 0.09060 -0.07377 0.11058 0.00169 0.13951 15 4YZ -0.02680 -0.05045 -0.00504 -0.04281 0.26458 16 2 C 1S -0.00445 0.00094 -0.01067 -0.00721 0.01803 17 2S 0.02473 -0.01267 -0.11772 -0.15404 0.34116 18 2PX 0.00450 0.01376 0.05837 -0.03466 -0.09213 19 2PY 0.10168 -0.04666 -0.07248 -0.00382 -0.02340 20 2PZ 0.09568 -0.03158 -0.02703 -0.01816 0.19974 21 3S -0.55509 0.02145 -0.05242 0.62467 -0.44004 22 3PX 0.66855 -0.11410 -0.00246 -0.02008 0.01582 23 3PY -0.84050 0.08859 0.40070 0.30309 0.00279 24 3PZ -0.98786 0.07921 0.28905 0.09480 -0.19216 25 4XX 0.00569 0.01892 0.05992 -0.01959 -0.08708 26 4YY 0.01900 0.02049 -0.03285 0.00521 0.11476 27 4ZZ -0.08177 -0.05410 -0.03549 0.03338 -0.06586 28 4XY 0.10766 -0.07365 -0.16410 -0.04420 0.20100 29 4XZ -0.09209 -0.07367 0.11054 -0.00081 0.13477 30 4YZ -0.02532 0.05056 0.00501 -0.04252 -0.26242 31 3 C 1S -0.00004 -0.02976 0.01144 -0.00002 -0.03003 32 2S -0.00101 -0.45853 0.14929 0.00016 -0.28421 33 2PX -0.00051 -0.02924 0.09249 0.00032 -0.07294 34 2PY 0.10019 0.00007 -0.00019 -0.01881 -0.00086 35 2PZ 0.00059 -0.06267 -0.04586 -0.00007 0.02807 36 3S -0.00019 1.87748 0.00977 0.00115 0.93691 37 3PX 0.00060 0.31876 -0.12445 -0.00033 0.72033 38 3PY 0.19501 0.00036 -0.00050 0.01341 -0.00255 39 3PZ -0.00180 -0.47274 0.13227 -0.00024 0.04966 40 4XX 0.00075 0.03870 -0.15269 -0.00021 0.15381 41 4YY -0.00106 0.15492 0.19585 0.00023 -0.39619 42 4ZZ 0.00029 -0.17936 -0.04505 -0.00006 0.27174 43 4XY 0.09822 -0.00009 -0.00028 -0.03606 -0.00009 44 4XZ -0.00130 -0.05063 0.12547 0.00000 -0.20789 45 4YZ 0.00617 0.00038 0.00030 -0.06810 0.00047 46 4 O 1S 0.01612 0.02679 0.00073 -0.00052 0.00920 47 2S 0.12860 0.43376 0.07219 0.01587 0.12998 48 2PX -0.01702 -0.01189 0.05315 0.01845 -0.00167 49 2PY 0.04270 -0.02619 -0.06260 -0.00855 -0.04156 50 2PZ -0.02591 -0.01217 0.00886 0.00863 0.05892 51 3S -0.75321 -1.41906 -0.10548 0.04017 -0.41578 52 3PX -0.02189 0.14184 0.02492 0.00808 -0.09862 53 3PY 0.13037 0.46505 0.19501 -0.00489 0.16869 54 3PZ -0.02403 -0.09667 -0.16004 -0.01442 -0.09913 55 4XX -0.00934 0.05167 -0.01739 -0.02080 0.00806 56 4YY 0.16113 0.18245 -0.03426 0.01741 0.08004 57 4ZZ -0.01593 0.03295 0.09907 0.00409 0.01363 58 4XY -0.02436 -0.06683 0.12542 -0.00417 0.03078 59 4XZ 0.13582 -0.16430 -0.01400 -0.05718 0.07714 60 4YZ 0.05609 -0.10431 0.00205 -0.01785 0.15522 61 5 H 1S 0.17590 -0.04790 0.09524 0.00896 0.26500 62 2S 0.59983 0.10094 0.21611 -0.01291 -0.07842 63 6 H 1S -0.17866 -0.04748 0.09579 -0.00905 0.25652 64 2S -0.60242 0.10282 0.21767 0.01313 -0.08552 65 7 H 1S 0.00040 -0.00302 0.01384 -0.00011 -0.36257 66 2S 0.00078 -0.09478 -0.09030 -0.00007 -0.08643 67 8 O 1S -0.01598 0.02680 0.00084 0.00055 0.00956 68 2S -0.12651 0.43354 0.07418 -0.01494 0.12871 69 2PX 0.01738 -0.01195 0.05338 -0.01823 -0.00283 70 2PY 0.04151 0.02607 0.06291 -0.00827 0.03635 71 2PZ 0.02534 -0.01222 0.00899 -0.00860 0.05796 72 3S 0.74571 -1.41962 -0.11176 -0.04216 -0.41886 73 3PX 0.01818 0.14197 0.02390 -0.00797 -0.09529 74 3PY 0.13221 -0.46492 -0.19636 -0.00591 -0.16160 75 3PZ 0.02832 -0.09752 -0.16016 0.01390 -0.09655 76 4XX 0.00919 0.05151 -0.01719 0.02100 0.00637 77 4YY -0.15934 0.18218 -0.03347 -0.01710 0.09089 78 4ZZ 0.01546 0.03335 0.09941 -0.00409 0.00566 79 4XY -0.02238 0.06683 -0.12533 -0.00435 -0.02486 80 4XZ -0.13724 -0.16387 -0.01456 0.05725 0.08176 81 4YZ 0.05529 0.10444 -0.00229 -0.01792 -0.15836 82 9 H 1S -0.00032 -0.20696 0.07902 -0.00001 -0.03293 83 2S 0.00015 -0.13996 -0.06798 -0.00043 0.20141 84 10 C 1S 0.01120 0.00159 0.00062 -0.01337 0.01750 85 2S 0.12775 -0.04650 0.03938 0.04252 0.13331 86 2PX 0.01428 -0.02872 -0.06887 -0.03689 -0.03998 87 2PY 0.00423 -0.10432 -0.07997 0.10462 0.01458 88 2PZ -0.01975 0.05746 0.12898 0.06142 0.05675 89 3S -0.66168 0.03962 0.15078 1.13085 -0.50563 90 3PX 0.42059 0.01360 -0.38196 -0.36694 0.21091 91 3PY -0.18693 0.12173 0.48979 0.44232 0.04540 92 3PZ -0.38480 -0.04923 0.43171 0.50822 -0.15324 93 4XX -0.00108 -0.02468 0.17801 0.03256 0.00909 94 4YY -0.01868 0.17845 -0.02434 0.12601 0.01526 95 4ZZ -0.02575 -0.15698 -0.15877 -0.13240 0.04006 96 4XY 0.03982 -0.08718 -0.00685 0.05156 -0.00800 97 4XZ -0.11716 0.10994 0.22752 0.01494 0.28918 98 4YZ 0.01835 0.01934 -0.20088 0.00386 -0.00588 99 11 C 1S 0.02085 0.00892 0.01299 0.01186 -0.00037 100 2S 0.22013 -0.15030 0.42434 -0.02844 -0.08333 101 2PX 0.01597 0.10621 -0.05180 0.04966 0.09413 102 2PY -0.08049 -0.01596 0.17785 -0.05510 0.03037 103 2PZ -0.16292 -0.15994 0.08002 -0.02017 -0.01156 104 3S -1.44545 0.16687 -1.03757 -0.81235 0.31751 105 3PX 0.50915 -0.19402 -0.05006 -0.53063 -0.05297 106 3PY -0.00618 0.12594 -1.23875 -0.64709 0.40810 107 3PZ -0.64848 0.22941 -0.24910 -0.03813 -0.19174 108 4XX -0.03805 0.00124 0.03394 -0.00830 0.15811 109 4YY 0.00292 -0.04633 -0.07286 0.12203 -0.11955 110 4ZZ -0.01896 0.08894 0.02357 -0.11699 0.04301 111 4XY 0.13053 -0.12463 -0.15818 -0.36410 -0.14573 112 4XZ -0.14265 -0.03990 0.01999 -0.33728 0.15195 113 4YZ -0.03603 0.24408 -0.05991 0.09712 -0.01598 114 12 C 1S -0.12520 -0.00021 -0.00832 -0.00080 -0.00993 115 2S -1.56424 0.14310 -0.13991 -0.27188 -0.08775 116 2PX 0.02239 -0.05772 -0.02198 -0.12190 -0.03157 117 2PY 0.06173 0.22707 -0.09272 -0.00501 0.05424 118 2PZ 0.12599 0.09408 0.00628 0.05122 0.02310 119 3S 5.60670 -0.22987 0.61078 0.87426 0.30148 120 3PX -0.03059 0.14705 0.25481 1.41171 0.02734 121 3PY 0.91849 -0.25038 0.20105 0.29398 -0.22785 122 3PZ -0.81754 0.02812 -0.31719 -0.05460 0.08065 123 4XX -0.02145 0.10457 -0.10881 -0.23127 0.11888 124 4YY 0.02715 -0.31013 -0.03398 -0.03601 -0.07181 125 4ZZ -0.05373 0.19252 0.16241 0.28379 -0.03581 126 4XY 0.00568 -0.11420 0.01409 0.26272 0.02257 127 4XZ 0.08567 -0.09089 -0.10742 -0.01510 0.07030 128 4YZ 0.13133 0.16692 -0.36474 -0.03580 0.02268 129 13 C 1S 0.12516 -0.00049 -0.00860 0.00077 -0.00938 130 2S 1.56329 0.13983 -0.14326 0.27105 -0.08286 131 2PX -0.02248 -0.05744 -0.02227 0.12186 -0.03218 132 2PY 0.06232 -0.22730 0.09234 -0.00424 -0.05475 133 2PZ -0.12538 0.09398 0.00639 -0.05128 0.02284 134 3S -5.60330 -0.21888 0.62453 -0.87182 0.28627 135 3PX 0.03188 0.14669 0.25791 -1.41122 0.03129 136 3PY 0.91570 0.24793 -0.20233 0.29176 0.23177 137 3PZ 0.81668 0.02715 -0.31884 0.05384 0.08236 138 4XX 0.02024 0.10456 -0.10950 0.22984 0.11889 139 4YY -0.02809 -0.30947 -0.03481 0.03660 -0.07213 140 4ZZ 0.05603 0.19184 0.16383 -0.28306 -0.03560 141 4XY 0.00590 0.11475 -0.01458 0.26239 -0.02154 142 4XZ -0.08617 -0.09056 -0.10665 0.01405 0.06866 143 4YZ 0.13367 -0.16812 0.36357 -0.03376 -0.02400 144 14 C 1S -0.02080 0.00896 0.01310 -0.01183 -0.00017 145 2S -0.21902 -0.15002 0.42577 0.03065 -0.08174 146 2PX -0.01512 0.10639 -0.05170 -0.04982 0.09434 147 2PY -0.08192 0.01655 -0.17818 -0.05570 -0.03215 148 2PZ 0.16337 -0.16048 0.07948 0.02018 -0.01085 149 3S 1.44116 0.16596 -1.04543 0.80609 0.31163 150 3PX -0.50964 -0.19307 -0.05116 0.53088 -0.05613 151 3PY 0.00132 -0.12771 1.24151 -0.64056 -0.39997 152 3PZ 0.64755 0.22878 -0.24844 0.03681 -0.19222 153 4XX 0.03768 0.00094 0.03385 0.00855 0.15847 154 4YY -0.00232 -0.04516 -0.07307 -0.12210 -0.12260 155 4ZZ 0.01897 0.08806 0.02373 0.11644 0.04569 156 4XY 0.13160 0.12396 0.15913 -0.36454 0.14626 157 4XZ 0.14283 -0.03949 0.01901 0.33655 0.15198 158 4YZ -0.03596 -0.24419 0.06027 0.09689 0.01388 159 15 C 1S -0.01126 0.00164 0.00062 0.01329 0.01744 160 2S -0.12877 -0.04578 0.03922 -0.04283 0.13418 161 2PX -0.01447 -0.02882 -0.06880 0.03650 -0.04059 162 2PY 0.00509 0.10435 0.07928 0.10515 -0.01609 163 2PZ 0.02032 0.05760 0.12897 -0.06116 0.05701 164 3S 0.66406 0.03475 0.15359 -1.12732 -0.49739 165 3PX -0.42351 0.01615 -0.38311 0.36505 0.20772 166 3PY -0.19177 -0.11847 -0.49171 0.44251 -0.04810 167 3PZ 0.38712 -0.05267 0.43281 -0.50539 -0.14593 168 4XX 0.00281 -0.02491 0.17813 -0.03272 0.00791 169 4YY 0.01902 0.17841 -0.02474 -0.12611 0.01589 170 4ZZ 0.02358 -0.15695 -0.15855 0.13253 0.04073 171 4XY 0.04000 0.08675 0.00642 0.05169 0.00610 172 4XZ 0.11828 0.10967 0.22725 -0.01497 0.29047 173 4YZ 0.01855 -0.01876 0.20136 0.00336 0.00641 174 16 H 1S -0.12014 0.05723 0.39214 0.13915 0.12445 175 2S -0.17608 0.00083 0.22453 0.18646 -0.04359 176 17 H 1S 0.13408 0.06202 -0.09470 -0.13527 0.14668 177 2S 0.17610 -0.00746 -0.38257 -0.15365 0.13531 178 18 H 1S -0.43485 0.00318 -0.03718 0.28154 -0.05827 179 2S -0.33012 0.06416 0.15444 0.34575 -0.13547 180 19 H 1S 0.43461 0.00213 -0.03725 -0.28159 -0.05629 181 2S 0.33081 0.06361 0.15418 -0.34519 -0.13295 182 20 H 1S -0.13529 0.06216 -0.09409 0.13415 0.14801 183 2S -0.17992 -0.00681 -0.38274 0.15170 0.13179 184 21 H 1S 0.12191 0.05622 0.39262 -0.13898 0.12699 185 2S 0.17771 -0.00068 0.22518 -0.18574 -0.04160 186 22 H 1S -0.40266 -0.04055 -0.08396 -0.20789 -0.09742 187 2S -0.24792 -0.03861 -0.03870 -0.39215 -0.06859 188 23 H 1S 0.40193 -0.04144 -0.08523 0.20819 -0.09560 189 2S 0.24822 -0.03900 -0.04069 0.39242 -0.06923 136 137 138 139 140 V V V V V Eigenvalues -- 1.88533 1.90842 1.93559 1.95825 1.97651 1 1 C 1S -0.00819 0.01023 -0.00153 0.01408 -0.00145 2 2S -0.11939 0.03077 0.13178 0.13323 0.21457 3 2PX -0.01983 -0.08724 0.06986 0.06289 -0.12039 4 2PY 0.18635 -0.00092 0.00892 0.04410 0.02159 5 2PZ 0.02366 0.05448 -0.04902 0.02406 0.07502 6 3S -0.22693 0.09015 -0.24461 -0.61563 0.16814 7 3PX -0.07298 0.01482 -0.06567 0.08215 0.17643 8 3PY 0.80575 0.07754 0.03826 -0.01519 0.29338 9 3PZ -0.63266 0.06048 -0.24825 -0.35325 -0.34515 10 4XX 0.00574 0.04142 -0.13726 0.01622 -0.10831 11 4YY -0.04334 0.02427 0.08175 -0.04629 0.10686 12 4ZZ 0.03204 -0.02706 0.00666 -0.00834 -0.01259 13 4XY 0.27133 -0.03980 -0.00544 -0.03158 0.09261 14 4XZ -0.16864 0.17902 -0.14894 -0.05937 0.22232 15 4YZ -0.05360 0.13128 -0.22111 -0.02810 -0.22479 16 2 C 1S 0.00850 0.01009 -0.00129 -0.01407 -0.00141 17 2S 0.12552 0.02671 0.13780 -0.13326 0.21009 18 2PX 0.01777 -0.08800 0.07087 -0.06242 -0.11991 19 2PY 0.18479 0.00172 -0.00924 0.04360 -0.02315 20 2PZ -0.01863 0.05380 -0.04864 -0.02414 0.07343 21 3S 0.21826 0.11102 -0.26809 0.61340 0.17294 22 3PX 0.07242 0.01231 -0.06427 -0.08277 0.17815 23 3PY 0.80676 -0.06921 -0.04204 -0.01376 -0.29268 24 3PZ 0.63015 0.07127 -0.25289 0.35367 -0.34159 25 4XX -0.00924 0.04225 -0.13842 -0.01699 -0.10707 26 4YY 0.04753 0.02496 0.08083 0.04697 0.10442 27 4ZZ -0.03406 -0.02777 0.00795 0.00801 -0.01144 28 4XY 0.27629 0.03987 0.00675 -0.03143 -0.09508 29 4XZ 0.17196 0.18059 -0.14891 0.05851 0.22088 30 4YZ -0.05885 -0.13154 0.22193 -0.02817 0.22510 31 3 C 1S -0.00024 -0.01992 0.01312 0.00007 -0.02275 32 2S -0.00217 -0.21789 0.13190 0.00019 -0.06189 33 2PX -0.00083 -0.01865 -0.04904 -0.00010 0.00804 34 2PY 0.04617 -0.00024 0.00039 0.10100 -0.00262 35 2PZ 0.00046 -0.00153 -0.00203 0.00023 -0.03363 36 3S 0.00661 0.83024 -0.80759 -0.00176 0.47159 37 3PX 0.00743 0.40587 -0.51737 0.00078 -0.37589 38 3PY 0.19163 0.00023 -0.00002 -0.04602 0.00172 39 3PZ 0.00140 -0.04801 -0.11605 0.00112 -0.39610 40 4XX 0.00158 0.08990 0.10193 -0.00053 0.28110 41 4YY -0.00444 -0.16349 -0.01000 0.00021 -0.30414 42 4ZZ 0.00311 0.09557 -0.09594 0.00030 0.02600 43 4XY 0.05578 0.00016 -0.00023 -0.16955 0.00362 44 4XZ -0.00230 -0.10491 0.11044 -0.00029 0.07870 45 4YZ -0.10770 -0.00055 0.00044 0.09182 -0.00417 46 4 O 1S 0.01515 0.01034 -0.01783 -0.01368 -0.01430 47 2S -0.01679 0.26792 -0.24159 0.03162 0.28704 48 2PX -0.00852 0.05217 -0.06121 -0.03521 0.05884 49 2PY 0.21119 -0.03204 0.02547 -0.07753 -0.09129 50 2PZ -0.05470 -0.00198 -0.07244 0.09228 -0.13756 51 3S -0.17951 -0.75554 0.82531 0.28342 -0.27544 52 3PX 0.05307 -0.15065 0.20718 0.15322 0.06751 53 3PY -0.29631 0.18998 -0.27739 0.07082 0.02669 54 3PZ 0.14052 -0.01410 0.20902 -0.18122 0.27853 55 4XX -0.07841 0.05548 -0.05212 -0.00793 -0.03698 56 4YY 0.44230 0.11107 -0.10569 -0.08156 0.07394 57 4ZZ -0.29884 -0.01737 0.01166 0.03814 0.05463 58 4XY -0.24495 0.00625 -0.11459 -0.05675 -0.15768 59 4XZ 0.17212 0.00878 0.07680 -0.04347 0.21392 60 4YZ 0.12928 0.06858 -0.13238 0.02428 -0.12579 61 5 H 1S -0.36318 0.12135 -0.22704 0.01859 -0.25794 62 2S -0.35198 -0.04560 0.01551 -0.05827 -0.19331 63 6 H 1S 0.36917 0.12319 -0.22639 -0.01819 -0.25890 64 2S 0.35049 -0.04243 0.01606 0.05940 -0.19209 65 7 H 1S -0.00385 -0.16445 0.21641 -0.00013 0.02305 66 2S -0.00064 -0.10718 0.17348 -0.00032 0.12477 67 8 O 1S -0.01501 0.01048 -0.01799 0.01367 -0.01454 68 2S 0.01867 0.27144 -0.24522 -0.03305 0.29054 69 2PX 0.00864 0.05263 -0.06149 0.03529 0.05646 70 2PY 0.21209 0.03321 -0.02577 -0.07754 0.09445 71 2PZ 0.05625 -0.00179 -0.07266 -0.09216 -0.13489 72 3S 0.17346 -0.76685 0.83662 -0.28030 -0.27892 73 3PX -0.05611 -0.15396 0.21028 -0.15358 0.06968 74 3PY -0.29911 -0.19336 0.27905 0.07093 -0.02955 75 3PZ -0.14236 -0.01395 0.20839 0.18057 0.27496 76 4XX 0.07854 0.05607 -0.05277 0.00811 -0.03641 77 4YY -0.44163 0.11100 -0.10731 0.08101 0.07342 78 4ZZ 0.29981 -0.01605 0.01199 -0.03831 0.05571 79 4XY -0.24569 -0.00684 0.11362 -0.05778 0.16062 80 4XZ -0.17039 0.00749 0.07791 0.04300 0.21563 81 4YZ 0.12436 -0.06770 0.13188 0.02419 0.12255 82 9 H 1S 0.00010 -0.05459 -0.13304 0.00090 -0.38111 83 2S 0.00253 0.06041 -0.06771 0.00051 -0.19209 84 10 C 1S -0.00104 -0.01178 0.00812 -0.00048 0.00030 85 2S 0.06371 -0.33219 -0.05947 -0.08459 0.04753 86 2PX -0.03158 0.04519 -0.02083 0.05767 -0.01298 87 2PY 0.04240 -0.09978 -0.08263 0.17788 0.07852 88 2PZ 0.02427 0.00535 0.01643 -0.05943 0.00784 89 3S 0.13020 0.61444 -0.13949 0.17546 -0.20705 90 3PX -0.05282 -0.25573 0.13997 -0.34447 -0.05896 91 3PY 0.15287 0.10448 0.10947 -0.33977 -0.05189 92 3PZ 0.19094 0.21711 -0.02488 0.46706 0.09444 93 4XX -0.01871 -0.15600 -0.20952 -0.10426 0.10874 94 4YY 0.03044 0.21604 0.20222 0.01483 -0.12237 95 4ZZ 0.00204 -0.14538 0.00740 0.05803 -0.00006 96 4XY 0.03801 0.03303 -0.01496 0.09653 0.19745 97 4XZ 0.06640 -0.12680 0.14331 0.11734 -0.04736 98 4YZ -0.01205 -0.14853 -0.00690 -0.15019 -0.20453 99 11 C 1S 0.00091 0.00100 -0.00061 0.02231 0.00865 100 2S -0.06330 -0.07263 -0.00634 0.45013 -0.13908 101 2PX 0.02153 -0.03840 0.06503 -0.04116 -0.10357 102 2PY 0.06522 0.02142 0.06602 0.15559 -0.12404 103 2PZ 0.04852 -0.01929 0.02303 0.05157 0.06881 104 3S 0.27594 -0.15020 0.12190 -1.30996 -0.15013 105 3PX -0.18367 -0.20299 -0.21547 -0.07891 0.24054 106 3PY -0.20849 -0.34749 0.24331 0.17006 0.18014 107 3PZ 0.03133 0.25752 -0.17310 -0.13914 -0.15975 108 4XX 0.04023 -0.09769 0.18917 0.25822 -0.00270 109 4YY -0.10702 -0.03208 -0.08122 -0.40755 -0.00085 110 4ZZ 0.08230 0.07970 -0.04364 0.09305 -0.03635 111 4XY -0.05070 -0.01385 -0.29714 -0.13360 0.06828 112 4XZ 0.01533 -0.25174 0.00987 -0.11338 -0.09565 113 4YZ 0.07459 0.04776 -0.10500 -0.15532 -0.06219 114 12 C 1S 0.03167 0.03118 0.00551 -0.00094 -0.01520 115 2S 0.31260 -0.12363 -0.23994 0.14938 -0.04513 116 2PX -0.03038 -0.00938 0.06671 -0.02888 0.05559 117 2PY 0.00366 -0.08225 -0.11108 0.10607 0.05579 118 2PZ -0.01157 0.02299 0.01369 -0.08702 0.03174 119 3S -1.12098 -0.30026 0.18681 -0.13773 0.32403 120 3PX 0.19186 0.10242 0.10303 0.52066 -0.16830 121 3PY -0.21440 0.28989 0.05825 -0.60673 -0.18418 122 3PZ 0.17096 -0.03762 0.06010 0.36513 -0.12901 123 4XX -0.00879 -0.29038 -0.00258 0.07545 0.10349 124 4YY -0.02547 0.32117 0.22713 0.05238 -0.18787 125 4ZZ 0.03273 -0.02356 -0.18636 -0.15963 0.08928 126 4XY -0.01863 -0.13271 -0.24530 0.05111 -0.00757 127 4XZ -0.06041 -0.21283 0.09475 0.16672 0.05247 128 4YZ 0.00792 0.04203 -0.01599 0.30053 0.03099 129 13 C 1S -0.03198 0.03083 0.00555 0.00098 -0.01534 130 2S -0.31352 -0.12608 -0.24165 -0.14927 -0.04517 131 2PX 0.02948 -0.00905 0.06666 0.02862 0.05592 132 2PY 0.00186 0.08268 0.11071 0.10591 -0.05511 133 2PZ 0.01201 0.02281 0.01458 0.08733 0.03099 134 3S 1.12676 -0.29068 0.19212 0.13613 0.32731 135 3PX -0.19191 0.10207 0.10066 -0.51970 -0.16900 136 3PY -0.20771 -0.29388 -0.05719 -0.60665 0.17927 137 3PZ -0.16833 -0.03800 0.05561 -0.36472 -0.12769 138 4XX 0.01289 -0.29083 -0.00250 -0.07580 0.10302 139 4YY 0.02237 0.32163 0.22704 -0.05315 -0.18753 140 4ZZ -0.03346 -0.02353 -0.18620 0.16095 0.08949 141 4XY -0.02035 0.13123 0.24686 0.05135 0.00584 142 4XZ 0.06295 -0.21146 0.09389 -0.16565 0.05262 143 4YZ 0.00749 -0.04036 0.01583 0.30081 -0.02932 144 14 C 1S -0.00094 0.00079 -0.00033 -0.02246 0.00844 145 2S 0.06123 -0.07549 -0.00189 -0.45112 -0.14269 146 2PX -0.01930 -0.03802 0.06459 0.04135 -0.10323 147 2PY 0.06476 -0.02055 -0.06646 0.15527 0.12468 148 2PZ -0.04877 -0.01930 0.02224 -0.05129 0.06943 149 3S -0.26576 -0.14128 0.10643 1.31610 -0.14091 150 3PX 0.18370 -0.20360 -0.21366 0.07930 0.23861 151 3PY -0.22124 0.34536 -0.24045 0.16851 -0.17661 152 3PZ -0.03612 0.25636 -0.17211 0.13906 -0.16060 153 4XX -0.03598 -0.09739 0.18741 -0.25708 -0.00314 154 4YY 0.10371 -0.02975 -0.08248 0.40708 0.00219 155 4ZZ -0.08110 0.07740 -0.04124 -0.09350 -0.03828 156 4XY -0.04786 0.01432 0.29678 -0.13427 -0.06894 157 4XZ -0.01063 -0.25123 0.00989 0.11417 -0.09533 158 4YZ 0.07549 -0.04700 0.10329 -0.15386 0.06302 159 15 C 1S 0.00154 -0.01171 0.00805 0.00061 0.00030 160 2S -0.05875 -0.33207 -0.05902 0.08602 0.04615 161 2PX 0.03036 0.04519 -0.02123 -0.05808 -0.01262 162 2PY 0.04145 0.10093 0.08174 0.17725 -0.07709 163 2PZ -0.02292 0.00541 0.01682 0.05976 0.00749 164 3S -0.14549 0.60981 -0.13471 -0.18014 -0.20281 165 3PX 0.05932 -0.25289 0.13756 0.34631 -0.05869 166 3PY 0.15330 -0.10581 -0.10793 -0.33925 0.04770 167 3PZ -0.19584 0.21352 -0.02208 -0.46878 0.09387 168 4XX 0.01948 -0.15517 -0.21017 0.10487 0.11014 169 4YY -0.03094 0.21523 0.20259 -0.01477 -0.12375 170 4ZZ -0.00038 -0.14532 0.00762 -0.05834 0.00009 171 4XY 0.03818 -0.03225 0.01289 0.09666 -0.19575 172 4XZ -0.05869 -0.12790 0.14380 -0.11506 -0.04922 173 4YZ -0.01263 0.14888 0.00717 -0.15049 0.20362 174 16 H 1S 0.10419 0.10306 0.07297 0.19751 0.17455 175 2S 0.07022 0.01834 -0.02630 0.03612 0.02121 176 17 H 1S 0.00927 -0.00859 0.16343 0.51596 0.04453 177 2S -0.14882 -0.14799 0.07161 0.05854 0.06137 178 18 H 1S 0.12244 0.25429 0.17415 0.12603 -0.08059 179 2S 0.12974 -0.00124 -0.06347 -0.03124 -0.07920 180 19 H 1S -0.12492 0.25337 0.17320 -0.12572 -0.08086 181 2S -0.13263 -0.00196 -0.06398 0.03172 -0.07967 182 20 H 1S -0.00541 -0.01086 0.16515 -0.51578 0.04020 183 2S 0.15314 -0.14772 0.07211 -0.05849 0.06025 184 21 H 1S -0.10163 0.10186 0.07370 -0.19664 0.17307 185 2S -0.07165 0.01783 -0.02603 -0.03628 0.02184 186 22 H 1S 0.08906 0.22428 -0.12197 -0.12753 -0.08396 187 2S -0.01394 -0.03385 -0.02142 -0.28885 0.07743 188 23 H 1S -0.09192 0.22303 -0.12122 0.12691 -0.08429 189 2S 0.01243 -0.03389 -0.02078 0.28847 0.07808 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98103 2.00055 2.01937 2.04156 1 1 C 1S -0.01317 -0.01673 0.00865 0.00492 0.00215 2 2S -0.43570 -0.27565 -0.04173 0.16379 0.30737 3 2PX -0.00968 -0.12658 0.12108 0.04869 0.03446 4 2PY 0.05026 -0.03897 0.09390 -0.20024 -0.19580 5 2PZ -0.08609 0.01966 -0.04826 0.05616 -0.01726 6 3S 1.15766 1.16112 -0.53278 -0.21126 -0.07676 7 3PX 0.05089 0.25837 -0.27897 -0.15468 -0.01931 8 3PY -0.20484 0.00598 -0.39430 0.09815 0.43570 9 3PZ 0.30506 0.17253 0.07195 0.09037 -0.23485 10 4XX 0.08714 0.08138 -0.09530 0.33075 0.02782 11 4YY -0.07675 0.05439 0.18145 -0.35665 -0.29901 12 4ZZ -0.00933 -0.07462 -0.14861 0.05714 0.28442 13 4XY 0.12976 0.00591 -0.07296 -0.12416 0.02173 14 4XZ -0.08317 0.09521 -0.23319 -0.06564 -0.17940 15 4YZ 0.01854 0.02462 0.11113 0.25439 -0.18368 16 2 C 1S 0.01318 0.01668 0.00834 0.00488 0.00225 17 2S 0.43660 0.27220 -0.04643 0.16489 0.30924 18 2PX 0.00788 0.12739 0.12038 0.04863 0.03448 19 2PY 0.04856 -0.03944 -0.09394 0.20082 0.19571 20 2PZ 0.08717 -0.02063 -0.04872 0.05686 -0.01646 21 3S -1.15394 -1.15935 -0.51827 -0.20687 -0.08758 22 3PX -0.04856 -0.25958 -0.27597 -0.15791 -0.01387 23 3PY -0.20688 0.00850 0.39423 -0.09283 -0.44023 24 3PZ -0.30934 -0.16930 0.07112 0.09314 -0.23918 25 4XX -0.08999 -0.08136 -0.09447 0.32997 0.02774 26 4YY 0.08050 -0.05400 0.18170 -0.35533 -0.29990 27 4ZZ 0.00817 0.07418 -0.14965 0.05673 0.28506 28 4XY 0.12811 0.00593 0.07198 0.12514 -0.02075 29 4XZ 0.08683 -0.09675 -0.23415 -0.06446 -0.17920 30 4YZ 0.02101 0.02274 -0.11094 -0.25552 0.18268 31 3 C 1S -0.00005 0.00013 0.03156 -0.02231 -0.03149 32 2S -0.00058 0.00034 0.08937 0.02849 -0.02711 33 2PX -0.00023 -0.00001 -0.09467 0.04566 0.12536 34 2PY 0.29516 -0.17705 -0.00044 0.00037 0.00029 35 2PZ 0.00057 0.00028 0.03837 -0.15601 -0.01722 36 3S 0.00048 -0.00351 -0.97432 0.81966 0.86698 37 3PX -0.00033 0.00277 -0.03298 -0.54409 0.39763 38 3PY -0.16801 0.13897 0.00014 0.00013 -0.00044 39 3PZ -0.00143 0.00287 0.15119 -0.47403 0.46197 40 4XX 0.00116 -0.00194 -0.04332 0.31223 -0.24908 41 4YY -0.00264 0.00201 0.15816 -0.06831 -0.06610 42 4ZZ 0.00140 -0.00024 -0.12908 -0.19966 0.34019 43 4XY -0.39483 0.32110 0.00056 -0.00054 -0.00049 44 4XZ -0.00079 -0.00027 -0.11009 0.11679 0.35820 45 4YZ 0.41404 -0.29887 -0.00019 0.00045 -0.00025 46 4 O 1S -0.00921 0.01997 -0.00314 0.02231 0.00287 47 2S 0.28825 0.06925 -0.40036 0.05162 0.17586 48 2PX -0.11783 0.16852 -0.06290 -0.24744 -0.05518 49 2PY -0.16688 0.14783 0.06932 -0.00219 -0.03548 50 2PZ 0.14091 -0.08908 0.01784 0.08272 0.12261 51 3S -0.50292 -0.48053 0.83621 -0.45716 -0.38512 52 3PX 0.01714 -0.37295 0.07138 0.42622 0.07630 53 3PY 0.19430 -0.08771 -0.17937 0.20253 0.08933 54 3PZ -0.14114 0.15252 0.01008 -0.01436 -0.29238 55 4XX 0.05343 -0.08479 0.01650 -0.09524 0.10475 56 4YY 0.00469 0.19259 -0.13338 -0.01264 0.09050 57 4ZZ 0.04009 -0.03458 -0.04824 0.18337 -0.14681 58 4XY -0.19223 0.04003 0.06363 -0.26943 0.02619 59 4XZ 0.04145 -0.11463 -0.08626 -0.02855 0.01759 60 4YZ 0.14760 -0.09288 -0.06462 -0.06527 0.22783 61 5 H 1S -0.09659 -0.07549 0.16624 0.28076 -0.27897 62 2S 0.04921 -0.06964 0.21100 -0.03643 -0.09248 63 6 H 1S 0.09395 0.07699 0.16365 0.28242 -0.27923 64 2S -0.05163 0.07123 0.20962 -0.03485 -0.09378 65 7 H 1S -0.00022 -0.00053 0.21927 0.19833 -0.60079 66 2S 0.00060 -0.00073 0.00902 0.03189 -0.13668 67 8 O 1S 0.00897 -0.01991 -0.00312 0.02235 0.00277 68 2S -0.28516 -0.07140 -0.39914 0.05218 0.17450 69 2PX 0.11981 -0.16797 -0.06304 -0.24723 -0.05488 70 2PY -0.16545 0.14683 -0.06948 0.00247 0.03496 71 2PZ -0.14319 0.09024 0.01825 0.08239 0.12276 72 3S 0.50121 0.48295 0.83332 -0.45981 -0.37909 73 3PX -0.01925 0.37012 0.07028 0.42581 0.07699 74 3PY 0.19449 -0.08658 0.17957 -0.20430 -0.08738 75 3PZ 0.14508 -0.15499 0.01040 -0.01415 -0.29363 76 4XX -0.05322 0.08568 0.01649 -0.09469 0.10394 77 4YY -0.00418 -0.19267 -0.13252 -0.01385 0.09080 78 4ZZ -0.03989 0.03289 -0.04865 0.18422 -0.14727 79 4XY -0.19196 0.03730 -0.06201 0.26792 -0.02640 80 4XZ -0.03943 0.11273 -0.08656 -0.02815 0.01759 81 4YZ 0.14869 -0.09485 0.06404 0.06574 -0.22735 82 9 H 1S -0.00082 0.00269 0.16964 -0.50499 0.10621 83 2S -0.00030 0.00132 0.13290 -0.24571 0.04484 84 10 C 1S 0.00029 0.00209 0.01314 -0.00287 0.01248 85 2S -0.16697 -0.20993 0.04951 -0.06185 0.08338 86 2PX 0.04664 0.07262 0.00637 0.02327 -0.00587 87 2PY -0.09881 -0.07494 0.11760 0.01861 0.06568 88 2PZ -0.04728 -0.07100 0.05128 0.02834 0.03898 89 3S 0.33969 0.16322 -0.66118 0.06563 -0.45624 90 3PX 0.01742 0.05707 0.13840 -0.11282 0.18190 91 3PY 0.37027 0.35501 -0.05561 0.05370 -0.10297 92 3PZ 0.00256 -0.00161 -0.09506 0.08193 -0.20421 93 4XX 0.05336 0.02257 0.08268 0.06085 0.03509 94 4YY -0.06063 -0.07569 -0.10507 -0.08444 -0.02057 95 4ZZ 0.01045 0.04621 0.04944 0.04601 0.01017 96 4XY -0.10599 -0.11630 0.24390 0.02776 0.08038 97 4XZ -0.10201 -0.07925 0.08741 -0.00295 0.14135 98 4YZ 0.01341 -0.05203 -0.32306 -0.08093 -0.12318 99 11 C 1S -0.02216 -0.02595 -0.01426 -0.00225 -0.00015 100 2S -0.24610 -0.16327 -0.71111 0.00387 -0.31330 101 2PX 0.02916 -0.00239 -0.05424 -0.04532 0.01671 102 2PY -0.04338 0.00756 -0.15641 -0.01460 -0.08960 103 2PZ 0.06727 0.13079 0.08152 0.04386 -0.02957 104 3S 0.71013 0.77394 1.44487 -0.11527 0.58235 105 3PX -0.14504 -0.12467 0.01450 0.00376 0.12350 106 3PY -0.17555 0.01933 0.63605 -0.18120 0.64322 107 3PZ -0.23312 -0.47721 -0.12306 -0.17999 0.01761 108 4XX 0.02310 0.15877 0.02068 -0.03418 0.00171 109 4YY 0.19601 0.07404 -0.15670 0.05951 -0.07055 110 4ZZ -0.19903 -0.23566 0.14333 -0.05542 0.11707 111 4XY 0.04075 -0.02360 0.10266 -0.07687 -0.00350 112 4XZ 0.01548 0.02090 -0.03518 -0.07351 0.00917 113 4YZ -0.14505 -0.26581 -0.04932 -0.06726 -0.00878 114 12 C 1S -0.01805 -0.02094 0.01887 -0.00584 0.00656 115 2S 0.03374 0.17914 0.09963 -0.02016 -0.13175 116 2PX 0.02032 0.00562 -0.00938 0.03795 -0.01750 117 2PY -0.03291 -0.02562 0.06337 -0.02093 0.02116 118 2PZ -0.08496 -0.14560 0.05809 -0.00246 0.07448 119 3S 0.33484 0.09075 -0.61379 0.16397 -0.07723 120 3PX 0.13031 0.39364 -0.03589 0.06261 -0.12530 121 3PY 0.28546 0.07832 -0.01356 0.01521 -0.08655 122 3PZ 0.17464 0.39988 0.17024 -0.07373 0.00251 123 4XX -0.01395 0.06619 -0.03436 0.02159 -0.05640 124 4YY 0.04811 0.07006 -0.00865 -0.03782 0.05043 125 4ZZ -0.04208 -0.16772 0.07120 0.01556 0.03209 126 4XY 0.18307 0.21534 -0.05332 -0.10268 0.03642 127 4XZ 0.09238 0.20540 -0.01286 0.03233 -0.00594 128 4YZ -0.08341 0.01059 0.10375 -0.04284 0.13137 129 13 C 1S 0.01802 0.02125 0.01864 -0.00577 0.00653 130 2S -0.03362 -0.17863 0.10280 -0.02204 -0.13011 131 2PX -0.01989 -0.00622 -0.00898 0.03793 -0.01759 132 2PY -0.03462 -0.02607 -0.06316 0.02084 -0.02113 133 2PZ 0.08586 0.14598 0.05589 -0.00122 0.07352 134 3S -0.33487 -0.09763 -0.61323 0.16360 -0.07765 135 3PX -0.13339 -0.39300 -0.03303 0.05904 -0.12193 136 3PY 0.28831 0.07711 0.01246 -0.01465 0.08602 137 3PZ -0.17596 -0.39913 0.17544 -0.07669 0.00507 138 4XX 0.01349 -0.06975 -0.03323 0.02136 -0.05611 139 4YY -0.05051 -0.06849 -0.00722 -0.03837 0.05110 140 4ZZ 0.04511 0.16987 0.06822 0.01656 0.03099 141 4XY 0.18285 0.21551 0.05060 0.10412 -0.03745 142 4XZ -0.09299 -0.20686 -0.01019 0.03140 -0.00540 143 4YZ -0.08569 0.00870 -0.10415 0.04293 -0.13132 144 14 C 1S 0.02236 0.02602 -0.01463 -0.00216 -0.00018 145 2S 0.23904 0.15915 -0.71269 0.00367 -0.31254 146 2PX -0.03137 0.00216 -0.05474 -0.04531 0.01641 147 2PY -0.03966 0.00895 0.15594 0.01477 0.08939 148 2PZ -0.06617 -0.13120 0.08361 0.04297 -0.02888 149 3S -0.70665 -0.76861 1.45295 -0.11483 0.58073 150 3PX 0.14979 0.12485 0.01404 0.00542 0.12242 151 3PY -0.18168 0.01663 -0.63382 0.17801 -0.64043 152 3PZ 0.23167 0.48016 -0.13053 -0.17700 0.01516 153 4XX -0.02429 -0.15992 0.02203 -0.03493 0.00201 154 4YY -0.19641 -0.07415 -0.15568 0.05889 -0.06992 155 4ZZ 0.19979 0.23692 0.14073 -0.05385 0.11605 156 4XY 0.03741 -0.02578 -0.10321 0.07692 0.00372 157 4XZ -0.01757 -0.02133 -0.03515 -0.07350 0.00906 158 4YZ -0.14549 -0.26721 0.05243 0.06588 0.00960 159 15 C 1S -0.00027 -0.00208 0.01314 -0.00285 0.01244 160 2S 0.16796 0.21006 0.04491 -0.05952 0.08175 161 2PX -0.04679 -0.07257 0.00792 0.02275 -0.00552 162 2PY -0.10114 -0.07587 -0.11636 -0.01919 -0.06546 163 2PZ 0.04761 0.07125 0.04981 0.02888 0.03857 164 3S -0.34461 -0.16369 -0.65278 0.05788 -0.44962 165 3PX -0.01890 -0.05771 0.13725 -0.11064 0.18019 166 3PY 0.37247 0.35632 0.04889 -0.05000 0.10134 167 3PZ -0.00060 0.00161 -0.09262 0.07869 -0.20183 168 4XX -0.05039 -0.02143 0.08322 0.06097 0.03495 169 4YY 0.05742 0.07498 -0.10770 -0.08408 -0.02134 170 4ZZ -0.01059 -0.04681 0.05151 0.04541 0.01112 171 4XY -0.11140 -0.11782 -0.24237 -0.02826 -0.08003 172 4XZ 0.10057 0.07897 0.08543 -0.00265 0.14074 173 4YZ 0.01958 -0.04975 0.32327 0.08048 0.12351 174 16 H 1S -0.09325 -0.05792 0.30317 0.06078 0.13021 175 2S 0.06126 0.04394 -0.08000 0.02813 -0.10709 176 17 H 1S -0.26625 -0.11531 0.07399 -0.05782 0.14448 177 2S -0.08828 -0.06335 0.06791 -0.07721 0.16319 178 18 H 1S -0.00145 0.01335 0.10631 0.03117 0.01842 179 2S -0.01180 0.11489 0.02913 0.04814 -0.10410 180 19 H 1S 0.00112 -0.01145 0.10602 0.03074 0.01870 181 2S 0.01085 -0.11395 0.02968 0.04742 -0.10298 182 20 H 1S 0.26726 0.11562 0.07186 -0.05672 0.14367 183 2S 0.08952 0.06328 0.06669 -0.07611 0.16239 184 21 H 1S 0.09796 0.05934 0.30224 0.06095 0.12992 185 2S -0.06151 -0.04465 -0.07857 0.02685 -0.10643 186 22 H 1S -0.08560 -0.16767 0.05811 -0.09016 0.07405 187 2S -0.02064 -0.12281 0.03689 0.02452 0.02219 188 23 H 1S 0.08643 0.17027 0.05656 -0.08927 0.07342 189 2S 0.02192 0.12250 0.03594 0.02563 0.02113 146 147 148 149 150 V V V V V Eigenvalues -- 2.08888 2.12024 2.14080 2.16027 2.23008 1 1 C 1S 0.00258 -0.00058 -0.00355 0.02927 -0.00936 2 2S 0.02867 -0.33185 -0.22559 0.49977 -0.01406 3 2PX 0.07154 -0.14996 -0.01885 -0.01349 -0.02874 4 2PY 0.00551 0.00707 0.11537 -0.20757 -0.06961 5 2PZ -0.04605 -0.02233 -0.03337 0.07215 0.00145 6 3S -0.17828 1.23479 0.06601 -0.52625 0.67772 7 3PX -0.23737 0.15776 -0.08123 0.35493 -0.19425 8 3PY -0.15548 -0.12727 -0.30395 0.47237 -0.42398 9 3PZ 0.20313 0.63354 0.19953 -0.41024 0.27057 10 4XX 0.01417 0.06148 -0.04972 -0.15261 -0.09910 11 4YY -0.04356 -0.01630 0.10271 -0.22291 0.06313 12 4ZZ 0.02230 0.09847 -0.03535 0.42229 0.03452 13 4XY -0.05153 0.05843 -0.05419 0.03105 0.19548 14 4XZ -0.02469 0.41863 -0.01105 0.16766 -0.07781 15 4YZ 0.04545 0.00714 0.01937 -0.00860 0.34185 16 2 C 1S 0.00266 0.00042 -0.00375 0.02936 0.00924 17 2S 0.03106 0.33165 -0.22689 0.49935 0.01118 18 2PX 0.07192 0.14962 -0.01828 -0.01347 0.02876 19 2PY -0.00536 0.00834 -0.11507 0.20739 -0.07051 20 2PZ -0.04576 0.02259 -0.03374 0.07250 -0.00180 21 3S -0.18718 -1.22886 0.07533 -0.52761 -0.67403 22 3PX -0.23760 -0.15508 -0.08384 0.35699 0.19351 23 3PY 0.15308 -0.13096 0.30851 -0.47226 -0.42214 24 3PZ 0.19975 -0.63363 0.20231 -0.40995 -0.26859 25 4XX 0.01348 -0.06075 -0.04955 -0.15235 0.09867 26 4YY -0.04337 0.01440 0.10287 -0.22301 -0.06353 27 4ZZ 0.02234 -0.09715 -0.03606 0.42250 -0.03358 28 4XY 0.05177 0.05811 0.05410 -0.03061 0.19483 29 4XZ -0.02504 -0.41707 -0.01258 0.16861 0.07765 30 4YZ -0.04534 0.00696 -0.01936 0.00807 0.34060 31 3 C 1S 0.00182 -0.00002 0.00349 -0.02379 0.00004 32 2S -0.06296 0.00021 -0.11990 -0.54492 0.00062 33 2PX -0.01963 0.00026 -0.08076 -0.08790 0.00005 34 2PY 0.00009 0.09737 0.00005 -0.00011 0.02682 35 2PZ 0.00600 0.00006 0.03129 0.05950 0.00000 36 3S 0.19833 -0.00050 0.19625 0.89059 -0.00103 37 3PX 0.36915 -0.00222 0.56946 0.79266 -0.00118 38 3PY -0.00021 -0.07224 -0.00051 0.00067 0.03451 39 3PZ 0.29258 -0.00228 0.40613 -0.46953 0.00047 40 4XX -0.07065 -0.00005 -0.01321 -0.36958 -0.00027 41 4YY 0.05368 0.00012 -0.04605 0.32835 -0.00086 42 4ZZ 0.04961 -0.00020 0.10241 0.04527 0.00115 43 4XY 0.00003 -0.05180 -0.00031 0.00089 0.49474 44 4XZ 0.07219 -0.00073 0.17840 -0.59142 0.00150 45 4YZ 0.00003 0.11395 0.00010 0.00026 0.43057 46 4 O 1S 0.00840 -0.00358 0.00118 0.01026 0.00639 47 2S 0.02755 0.40734 0.09733 -0.16473 0.09768 48 2PX -0.02080 0.12349 0.01902 0.10019 0.04275 49 2PY -0.00418 -0.11646 -0.03748 0.13045 -0.01745 50 2PZ 0.04376 -0.05975 0.05878 -0.07370 0.06383 51 3S -0.26135 -0.82617 -0.30375 0.11164 -0.36546 52 3PX -0.03786 -0.33807 -0.15683 0.05168 -0.24645 53 3PY 0.11372 0.20377 0.14593 -0.09974 0.13497 54 3PZ -0.12537 0.09510 -0.17308 -0.12461 -0.17419 55 4XX 0.13450 0.00253 0.09065 -0.21677 0.11123 56 4YY 0.02532 0.08766 0.06098 0.01709 0.00462 57 4ZZ -0.12129 0.04505 -0.11891 0.19806 -0.08462 58 4XY 0.09765 -0.02276 0.15985 0.00498 0.29755 59 4XZ -0.04811 0.06932 -0.03817 -0.05673 -0.05801 60 4YZ 0.09341 0.01337 0.10233 -0.01194 0.24751 61 5 H 1S 0.09729 0.04005 0.07755 -0.13504 0.14510 62 2S 0.15469 0.04219 0.09020 -0.18524 0.08851 63 6 H 1S 0.09728 -0.04124 0.07779 -0.13450 -0.14429 64 2S 0.15423 -0.04386 0.09121 -0.18536 -0.08809 65 7 H 1S -0.18753 0.00127 -0.31843 0.05207 -0.00034 66 2S -0.11885 0.00071 -0.06776 0.04156 0.00023 67 8 O 1S 0.00834 0.00358 0.00128 0.01023 -0.00641 68 2S 0.02638 -0.40710 0.09677 -0.16464 -0.09662 69 2PX -0.02111 -0.12320 0.01849 0.10025 -0.04285 70 2PY 0.00417 -0.11698 0.03701 -0.13002 -0.01697 71 2PZ 0.04374 0.05890 0.05920 -0.07398 -0.06363 72 3S -0.25726 0.82567 -0.30558 0.11245 0.36331 73 3PX -0.03620 0.33786 -0.15670 0.05169 0.24550 74 3PY -0.11310 0.20531 -0.14605 0.10000 0.13425 75 3PZ -0.12578 -0.09308 -0.17339 -0.12469 0.17447 76 4XX 0.13465 -0.00447 0.09073 -0.21719 -0.11286 77 4YY 0.02489 -0.08758 0.06110 0.01709 -0.00474 78 4ZZ -0.12152 -0.04315 -0.11910 0.19855 0.08652 79 4XY -0.09787 -0.02139 -0.15994 -0.00464 0.29773 80 4XZ -0.04800 -0.06930 -0.03932 -0.05654 0.05799 81 4YZ -0.09303 0.01381 -0.10177 0.01159 0.24721 82 9 H 1S 0.11019 -0.00039 0.08843 0.37321 -0.00034 83 2S 0.14949 -0.00118 0.26596 0.05104 -0.00023 84 10 C 1S -0.02415 0.00762 -0.00697 0.00309 -0.00496 85 2S -0.50664 0.37162 0.10839 0.03786 0.03625 86 2PX 0.05213 -0.14153 -0.00842 -0.00334 0.00802 87 2PY -0.16458 0.05225 0.06223 0.02736 0.07327 88 2PZ -0.06290 0.11542 0.02191 0.00751 -0.03318 89 3S 0.60827 -0.94673 0.35563 -0.09040 -0.28815 90 3PX -0.35925 0.37194 -0.04638 0.05216 -0.09260 91 3PY 0.22460 -0.32630 -0.19055 -0.08947 -0.22313 92 3PZ 0.36767 -0.32228 0.14824 0.00055 -0.13568 93 4XX -0.07858 0.04243 -0.05263 -0.01374 0.10019 94 4YY 0.24088 0.11431 -0.18192 -0.03660 0.03292 95 4ZZ -0.22850 -0.11465 0.25517 0.06692 -0.18424 96 4XY 0.17165 -0.08385 -0.04917 0.05195 -0.09605 97 4XZ -0.21364 0.18757 -0.15426 -0.01383 -0.06103 98 4YZ -0.07703 -0.07986 -0.00230 -0.06105 -0.18807 99 11 C 1S -0.00638 -0.00550 0.00636 0.00595 0.00037 100 2S -0.02847 -0.18424 -0.02697 -0.13076 -0.16824 101 2PX -0.11275 0.10366 0.02682 0.00507 -0.01185 102 2PY 0.01506 0.04342 -0.03249 -0.07850 -0.03852 103 2PZ 0.21715 -0.01092 -0.02864 -0.00470 -0.02014 104 3S -0.12948 0.68815 -0.21108 -0.00548 0.26024 105 3PX -0.16431 -0.41858 -0.44565 -0.05030 0.04410 106 3PY -0.18256 0.14751 -0.36143 0.25614 0.29813 107 3PZ -0.09408 -0.06852 -0.07626 -0.06358 0.18550 108 4XX 0.19767 0.22923 -0.08113 0.02929 0.14410 109 4YY -0.02399 -0.09788 0.17658 0.06553 -0.14420 110 4ZZ -0.20333 -0.06092 -0.12757 -0.07121 0.00826 111 4XY -0.04174 -0.27259 -0.16358 -0.11450 0.07033 112 4XZ -0.10165 0.19377 -0.08311 -0.06201 -0.02314 113 4YZ -0.09038 0.06911 -0.09267 -0.05952 0.00290 114 12 C 1S -0.00789 -0.01014 -0.01565 -0.01189 0.00444 115 2S 0.42714 -0.26178 0.19427 -0.04688 0.11266 116 2PX 0.01441 -0.00894 0.02609 0.02383 -0.03446 117 2PY 0.12073 -0.03465 0.08252 0.03295 0.02768 118 2PZ -0.09756 0.05375 -0.09507 0.00062 -0.00954 119 3S -0.16526 0.44474 0.13248 0.23667 -0.51238 120 3PX -0.06124 0.09027 0.57334 0.00557 0.04655 121 3PY -0.21700 0.15949 -0.09634 -0.15111 -0.11265 122 3PZ 0.33253 -0.00139 0.17789 0.01181 0.03822 123 4XX 0.41129 0.13987 -0.15210 0.01585 -0.12139 124 4YY -0.21622 -0.07141 -0.17068 -0.06521 0.01475 125 4ZZ -0.24224 -0.03025 0.24534 0.02955 0.07177 126 4XY 0.00469 -0.13743 -0.42767 -0.10141 0.10121 127 4XZ -0.03406 -0.05613 0.17003 0.01713 -0.12092 128 4YZ -0.15225 -0.13862 -0.07824 0.04765 0.00642 129 13 C 1S -0.00780 0.01016 -0.01549 -0.01203 -0.00442 130 2S 0.42858 0.25983 0.19584 -0.04798 -0.11205 131 2PX 0.01455 0.00900 0.02604 0.02387 0.03451 132 2PY -0.12046 -0.03380 -0.08273 -0.03274 0.02765 133 2PZ -0.09819 -0.05367 -0.09467 0.00031 0.00922 134 3S -0.16634 -0.44146 0.12141 0.24330 0.51227 135 3PX -0.06240 -0.09255 0.57152 0.00666 -0.04542 136 3PY 0.21714 0.15886 0.09872 0.14915 -0.11254 137 3PZ 0.33228 -0.00111 0.17822 0.01100 -0.03800 138 4XX 0.41134 -0.14062 -0.15344 0.01622 0.12080 139 4YY -0.21669 0.07291 -0.17023 -0.06507 -0.01454 140 4ZZ -0.24186 0.02975 0.24598 0.02912 -0.07151 141 4XY -0.00360 -0.13915 0.42548 0.10130 0.10191 142 4XZ -0.03530 0.05506 0.17211 0.01731 0.12132 143 4YZ 0.15262 -0.13894 0.07648 -0.04705 0.00678 144 14 C 1S -0.00627 0.00581 0.00612 0.00601 -0.00031 145 2S -0.02608 0.18732 -0.03045 -0.12960 0.16949 146 2PX -0.11339 -0.10422 0.02679 0.00502 0.01181 147 2PY -0.01580 0.04334 0.03329 0.07816 -0.03850 148 2PZ 0.21745 0.01081 -0.02868 -0.00437 0.02016 149 3S -0.13789 -0.69976 -0.19783 -0.01039 -0.26361 150 3PX -0.16396 0.42238 -0.44227 -0.05186 -0.04392 151 3PY 0.18712 0.14929 0.35252 -0.25265 0.29941 152 3PZ -0.09333 0.07023 -0.07437 -0.06471 -0.18435 153 4XX 0.19678 -0.22867 -0.08188 0.02982 -0.14339 154 4YY -0.02400 0.09676 0.17585 0.06562 0.14394 155 4ZZ -0.20279 0.06162 -0.12618 -0.07172 -0.00903 156 4XY 0.04161 -0.27356 0.16118 0.11542 0.06938 157 4XZ -0.10212 -0.19461 -0.08365 -0.06142 0.02287 158 4YZ 0.09048 0.06829 0.09335 0.05983 0.00251 159 15 C 1S -0.02425 -0.00771 -0.00687 0.00307 0.00492 160 2S -0.50819 -0.37269 0.10835 0.03815 -0.03644 161 2PX 0.05228 0.14156 -0.00741 -0.00369 -0.00808 162 2PY 0.16453 0.05299 -0.06221 -0.02743 0.07293 163 2PZ -0.06284 -0.11554 0.02131 0.00774 0.03308 164 3S 0.61862 0.94983 0.34340 -0.08646 0.29003 165 3PX -0.36297 -0.37362 -0.04346 0.05053 0.09170 166 3PY -0.22877 -0.32739 0.19339 0.08857 -0.22264 167 3PZ 0.37125 0.32246 0.14300 0.00249 0.13547 168 4XX -0.07809 -0.04167 -0.05195 -0.01309 -0.09873 169 4YY 0.24045 -0.11379 -0.18247 -0.03661 -0.03325 170 4ZZ -0.22857 0.11313 0.25449 0.06648 0.18319 171 4XY -0.17236 -0.08353 0.04888 -0.05157 -0.09631 172 4XZ -0.21425 -0.18852 -0.15508 -0.01359 0.06026 173 4YZ 0.07736 -0.08087 0.00105 0.06111 -0.18914 174 16 H 1S 0.09172 0.09742 -0.14098 0.02328 0.04672 175 2S 0.12135 -0.14729 0.03662 -0.01571 -0.05377 176 17 H 1S 0.01170 0.04535 -0.16830 0.02360 0.12667 177 2S -0.10604 -0.06144 -0.15098 0.09030 0.03840 178 18 H 1S -0.21100 -0.04573 0.40530 0.05364 0.05646 179 2S -0.06024 -0.05265 -0.02654 -0.15342 0.00832 180 19 H 1S -0.21131 0.04465 0.40598 0.05303 -0.05556 181 2S -0.06040 0.05260 -0.02619 -0.15315 -0.00799 182 20 H 1S 0.01134 -0.04402 -0.16757 0.02327 -0.12656 183 2S -0.10673 0.06201 -0.14897 0.08946 -0.03826 184 21 H 1S 0.09206 -0.09777 -0.14156 0.02377 -0.04735 185 2S 0.12273 0.14774 0.03515 -0.01525 0.05396 186 22 H 1S -0.10291 -0.12070 -0.36434 -0.08027 0.12602 187 2S -0.02417 0.01812 -0.17115 -0.01624 -0.05208 188 23 H 1S -0.10239 0.12249 -0.36314 -0.08103 -0.12664 189 2S -0.02369 -0.01760 -0.17067 -0.01635 0.05163 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26205 2.27983 2.29195 2.30956 1 1 C 1S 0.00936 0.00577 0.01439 0.00441 0.03579 2 2S 0.06532 0.06711 0.40937 0.33546 0.81651 3 2PX -0.03260 0.02079 -0.01593 -0.05092 -0.11573 4 2PY 0.01039 -0.02249 -0.15958 0.00130 0.05883 5 2PZ 0.00204 -0.04081 0.03436 0.10902 0.22834 6 3S -0.26329 -0.57800 -0.41652 -0.88718 -3.33370 7 3PX 0.02449 -0.12366 0.07742 0.32864 0.96642 8 3PY -0.09865 0.24588 0.22741 0.65753 1.54252 9 3PZ -0.17023 -0.03188 -0.39797 -0.37955 -1.83553 10 4XX 0.08541 -0.02669 0.33149 -0.16968 -0.15161 11 4YY 0.02666 0.01369 -0.20840 0.01770 -0.02457 12 4ZZ -0.10204 -0.01151 -0.15120 0.10751 0.07941 13 4XY -0.03361 0.03420 -0.04775 0.01899 -0.00147 14 4XZ -0.00553 -0.14635 0.16042 0.20666 0.20293 15 4YZ -0.08810 0.07344 -0.14629 0.02010 -0.06514 16 2 C 1S 0.00897 -0.00594 0.01455 -0.00433 -0.03600 17 2S 0.06017 -0.06683 0.41601 -0.32960 -0.81904 18 2PX -0.03239 -0.01986 -0.01655 0.05074 0.11573 19 2PY -0.01102 -0.02148 0.15935 0.00359 0.05800 20 2PZ 0.00234 0.04085 0.03648 -0.10848 -0.22804 21 3S -0.23275 0.58310 -0.43904 0.88249 3.33891 22 3PX 0.02466 0.12271 0.08469 -0.32815 -0.96975 23 3PY 0.11204 0.24086 -0.24073 0.65372 1.54056 24 3PZ -0.16182 0.03565 -0.40658 0.37621 1.84319 25 4XX 0.08690 0.02472 0.32851 0.17429 0.14757 26 4YY 0.02569 -0.01538 -0.20886 -0.02108 0.02591 27 4ZZ -0.10191 0.01474 -0.14873 -0.10947 -0.07676 28 4XY 0.03528 0.03281 0.04769 0.02018 -0.00083 29 4XZ -0.00256 0.14639 0.16345 -0.20469 -0.20583 30 4YZ 0.09131 0.07092 0.14694 0.02243 -0.06629 31 3 C 1S -0.00308 0.00000 -0.01734 -0.00011 0.00004 32 2S -0.02644 0.00009 -0.22522 -0.00100 0.00281 33 2PX 0.01469 -0.00008 0.00265 0.00018 0.00075 34 2PY -0.00035 -0.02986 0.00002 0.02850 -0.00317 35 2PZ -0.00715 0.00002 -0.00542 -0.00012 -0.00048 36 3S 0.14842 -0.00089 0.59249 0.00352 -0.00321 37 3PX 0.09948 -0.00136 0.38700 0.00190 -0.00363 38 3PY 0.00002 0.00448 0.00078 -0.05826 -0.00054 39 3PZ 0.03659 -0.00139 -0.23904 -0.00157 0.00016 40 4XX 0.05863 -0.00119 0.22121 0.00157 -0.00237 41 4YY 0.02491 -0.00025 0.17275 0.00094 -0.00101 42 4ZZ -0.08623 0.00143 -0.39391 -0.00259 0.00292 43 4XY 0.00245 0.12301 0.00016 0.12016 -0.18001 44 4XZ -0.07846 0.00055 -0.33344 -0.00189 0.00104 45 4YZ 0.00250 0.11204 -0.00032 0.20561 -0.11475 46 4 O 1S -0.00068 0.00387 0.01192 -0.01376 -0.02465 47 2S -0.02309 -0.11103 -0.11529 0.16081 -0.08372 48 2PX 0.01380 -0.03763 -0.00312 0.11115 0.07181 49 2PY 0.00763 0.03272 0.05231 -0.05804 -0.06736 50 2PZ 0.00984 0.02383 -0.04993 -0.03643 -0.09251 51 3S 0.11688 0.14659 0.07535 0.08761 1.26276 52 3PX 0.04770 0.03945 0.20955 -0.15544 0.32566 53 3PY 0.01563 -0.08072 0.02086 -0.01586 -0.15731 54 3PZ -0.04982 -0.03807 0.01852 -0.01323 0.02247 55 4XX 0.15699 0.05619 0.44538 -0.02689 -0.07843 56 4YY -0.03061 -0.00502 -0.04912 0.04183 -0.07279 57 4ZZ -0.13906 -0.06266 -0.35905 -0.02771 0.06667 58 4XY 0.03112 0.06628 0.09940 0.11097 -0.04168 59 4XZ 0.03600 -0.02349 0.13911 0.11982 0.32472 60 4YZ -0.01114 0.07511 0.01328 0.13137 -0.08791 61 5 H 1S -0.00894 0.01755 -0.00043 -0.06395 -0.22749 62 2S -0.01810 0.05197 -0.15152 -0.23204 -0.60761 63 6 H 1S -0.00915 -0.01743 -0.00196 0.06364 0.22694 64 2S -0.01697 -0.05186 -0.15559 0.23061 0.60976 65 7 H 1S 0.04269 -0.00036 0.21641 0.00164 -0.00125 66 2S -0.10815 0.00157 -0.07883 -0.00052 0.00115 67 8 O 1S -0.00067 -0.00377 0.01167 0.01394 0.02470 68 2S -0.02009 0.11123 -0.11373 -0.16195 0.08672 69 2PX 0.01427 0.03696 -0.00144 -0.11131 -0.07219 70 2PY -0.00711 0.03279 -0.05133 -0.05874 -0.06691 71 2PZ 0.00942 -0.02435 -0.05076 0.03567 0.09278 72 3S 0.10828 -0.15002 0.08047 -0.08769 -1.26966 73 3PX 0.04616 -0.03958 0.20837 0.15831 -0.32753 74 3PY -0.01824 -0.08038 -0.01977 -0.01656 -0.15911 75 3PZ -0.04832 0.03992 0.01833 0.01386 -0.02107 76 4XX 0.15495 -0.06001 0.44429 0.03302 0.07345 77 4YY -0.03033 0.00548 -0.04886 -0.04286 0.07274 78 4ZZ -0.13657 0.06670 -0.35861 0.02324 -0.06094 79 4XY -0.02837 0.06749 -0.10071 0.10991 -0.03825 80 4XZ 0.03520 0.02308 0.14056 -0.11740 -0.32546 81 4YZ 0.01423 0.07511 -0.01386 0.13109 -0.08616 82 9 H 1S 0.00461 0.00011 -0.01878 -0.00033 0.00048 83 2S 0.02721 -0.00073 0.07718 0.00033 -0.00154 84 10 C 1S 0.00496 -0.02242 0.00020 0.01257 -0.02798 85 2S 0.29096 -0.29453 -0.03906 0.16924 -0.54698 86 2PX -0.06259 -0.01976 0.01851 0.03357 0.11344 87 2PY 0.06937 0.02247 -0.03704 -0.04731 0.04887 88 2PZ 0.07895 -0.02964 0.01386 0.04488 -0.11579 89 3S -0.27394 3.02302 -0.04847 -1.29072 2.45819 90 3PX 0.21772 -0.88240 0.06682 0.80819 -1.07328 91 3PY -0.01954 1.01014 0.01336 -0.62310 0.85843 92 3PZ -0.01486 1.37734 -0.03716 -0.44014 0.92283 93 4XX -0.14370 -0.20713 -0.13189 -0.32986 0.15546 94 4YY -0.15563 0.07042 0.10538 -0.06267 -0.03237 95 4ZZ 0.29240 0.19916 0.00572 0.34065 -0.12778 96 4XY -0.02822 -0.01948 -0.03522 0.34173 -0.02228 97 4XZ 0.10385 -0.02097 0.02608 0.00250 -0.18140 98 4YZ -0.08305 -0.05976 -0.05945 0.30533 -0.23157 99 11 C 1S -0.00505 0.02999 -0.00760 -0.00586 0.01788 100 2S -0.14798 0.63506 -0.02559 -0.14981 0.21191 101 2PX 0.02805 -0.06939 -0.00119 0.06007 -0.14350 102 2PY -0.01260 0.11336 0.00602 0.00801 -0.01583 103 2PZ -0.04329 0.04637 -0.00811 -0.01427 0.15001 104 3S 0.39144 -2.75843 0.11230 1.10703 -1.61620 105 3PX -0.20018 -0.53250 -0.00112 -0.18829 0.04971 106 3PY -0.18295 -1.82532 0.18109 0.51063 -0.87581 107 3PZ -0.24693 -0.42856 -0.01383 -0.01426 -0.25211 108 4XX -0.19006 -0.05983 -0.12044 -0.13419 0.09071 109 4YY 0.33720 0.20658 -0.07793 0.03745 -0.09351 110 4ZZ -0.12363 -0.24324 0.19404 0.14695 -0.08301 111 4XY -0.28039 -0.28959 0.03705 -0.05659 0.13931 112 4XZ -0.11057 -0.20635 0.09793 0.05070 -0.19903 113 4YZ -0.12210 -0.14757 -0.08133 -0.22565 -0.12544 114 12 C 1S -0.00973 -0.04499 -0.00303 0.00475 0.00348 115 2S -0.01912 -0.23784 -0.13906 0.32371 0.39246 116 2PX -0.04372 0.03047 0.02846 -0.03904 -0.02843 117 2PY -0.02289 0.00309 0.01225 0.05438 0.02630 118 2PZ -0.01185 -0.12337 0.05930 -0.04351 -0.13837 119 3S 0.11629 2.46283 0.15747 -0.94969 -0.09810 120 3PX 0.01146 0.42766 -0.13357 0.40145 0.46680 121 3PY 0.04038 0.59307 -0.02734 -0.00721 -0.10949 122 3PZ -0.14306 -0.41022 -0.04162 0.34825 -0.10829 123 4XX 0.18464 0.12327 -0.03056 -0.22191 -0.14607 124 4YY -0.02319 0.09694 -0.04841 0.13032 0.09437 125 4ZZ -0.18854 -0.22530 0.11134 0.00649 -0.02504 126 4XY 0.12021 -0.41924 0.00452 0.10475 -0.03316 127 4XZ -0.46029 -0.17830 0.21508 0.02102 -0.21658 128 4YZ 0.09942 -0.11389 -0.04561 -0.03175 -0.12533 129 13 C 1S -0.00831 0.04536 -0.00309 -0.00479 -0.00369 130 2S -0.01327 0.23802 -0.13490 -0.32508 -0.38710 131 2PX -0.04439 -0.02940 0.02784 0.03960 0.02874 132 2PY 0.02316 0.00182 -0.01323 0.05388 0.02397 133 2PZ -0.00730 0.12447 0.05820 0.04445 0.13801 134 3S 0.04019 -2.46689 0.15101 0.95115 0.09704 135 3PX -0.00524 -0.42939 -0.12469 -0.40452 -0.46942 136 3PY -0.02322 0.59309 0.02565 -0.00616 -0.10945 137 3PZ -0.12908 0.41609 -0.03760 -0.34840 0.10626 138 4XX 0.18116 -0.12679 -0.03334 0.22095 0.14683 139 4YY -0.02630 -0.09652 -0.04611 -0.13128 -0.10007 140 4ZZ -0.18144 0.22959 0.11054 -0.00415 0.02839 141 4XY -0.13213 -0.41754 -0.00510 0.10442 -0.03762 142 4XZ -0.45444 0.19259 0.21463 -0.01629 0.21939 143 4YZ -0.10288 -0.11069 0.04506 -0.03095 -0.12283 144 14 C 1S -0.00616 -0.02998 -0.00756 0.00578 -0.01765 145 2S -0.16907 -0.63135 -0.02557 0.15014 -0.20901 146 2PX 0.03060 0.06816 -0.00041 -0.06050 0.14189 147 2PY 0.01625 0.11273 -0.00647 0.00773 -0.01649 148 2PZ -0.04495 -0.04461 -0.00877 0.01439 -0.14915 149 3S 0.48492 2.75006 0.12088 -1.10752 1.60288 150 3PX -0.18395 0.54181 -0.00587 0.18788 -0.05246 151 3PY 0.12423 -1.83260 -0.18286 0.50749 -0.86827 152 3PZ -0.23189 0.43271 -0.01652 0.01520 0.24972 153 4XX -0.18947 0.06497 -0.12371 0.13100 -0.10276 154 4YY 0.33191 -0.21796 -0.07597 -0.03838 0.09346 155 4ZZ -0.11575 0.24890 0.19596 -0.14291 0.09473 156 4XY 0.27108 -0.29914 -0.03505 -0.05717 0.13874 157 4XZ -0.10416 0.21019 0.09795 -0.04794 0.20553 158 4YZ 0.11726 -0.15119 0.08505 -0.22332 -0.11576 159 15 C 1S 0.00571 0.02232 0.00034 -0.01264 0.02748 160 2S 0.30126 0.28388 -0.03716 -0.17145 0.53941 161 2PX -0.06215 0.02215 0.01871 -0.03292 -0.11204 162 2PY -0.06882 0.02528 0.03811 -0.04582 0.05366 163 2PZ 0.07995 0.02706 0.01472 -0.04467 0.11716 164 3S -0.37295 -3.01525 -0.05920 1.29172 -2.44313 165 3PX 0.24764 0.87572 0.07814 -0.80727 1.06914 166 3PY 0.05172 1.01057 -0.00686 -0.62530 0.85780 167 3PZ -0.05967 -1.37458 -0.04062 0.43927 -0.91388 168 4XX -0.13770 0.20920 -0.13895 0.32577 -0.16933 169 4YY -0.15736 -0.06351 0.10436 0.06565 0.04111 170 4ZZ 0.28634 -0.20798 0.01333 -0.34010 0.13116 171 4XY 0.02748 -0.02017 0.03039 0.34264 -0.02125 172 4XZ 0.10472 0.01917 0.02580 -0.00198 0.17806 173 4YZ 0.07980 -0.06110 0.05497 0.30765 -0.22649 174 16 H 1S 0.03714 0.08585 0.01675 -0.16526 0.11641 175 2S -0.04725 0.44801 -0.03160 -0.25796 0.33590 176 17 H 1S -0.24744 -0.21246 0.06821 0.00702 0.01406 177 2S -0.10694 -0.41159 0.06039 0.08759 -0.18254 178 18 H 1S -0.26197 -0.06383 0.05829 0.20486 0.07025 179 2S 0.12557 0.01608 -0.17203 0.13425 0.21336 180 19 H 1S -0.26053 0.07036 0.06142 -0.20388 -0.07283 181 2S 0.12391 -0.01979 -0.16925 -0.13705 -0.21236 182 20 H 1S -0.24202 0.22094 0.06698 -0.00528 -0.01272 183 2S -0.09353 0.41472 0.06057 -0.08637 0.17929 184 21 H 1S 0.03423 -0.08590 0.01360 0.16578 -0.11652 185 2S -0.06152 -0.44655 -0.03451 0.25757 -0.33448 186 22 H 1S 0.26523 -0.19471 -0.11793 0.03048 0.08293 187 2S -0.02838 -0.06529 0.08374 -0.08441 -0.11485 188 23 H 1S 0.27088 0.18703 -0.11777 -0.03285 -0.08373 189 2S -0.02557 0.06667 0.08175 0.08628 0.11792 156 157 158 159 160 V V V V V Eigenvalues -- 2.31854 2.37118 2.40151 2.43437 2.44809 1 1 C 1S 0.00676 -0.02964 -0.01480 -0.03487 0.00280 2 2S 0.12414 -0.67530 -0.06288 -0.35652 -0.06149 3 2PX -0.00051 0.02436 -0.06266 0.00393 0.01795 4 2PY -0.04606 -0.04940 -0.03679 -0.07589 -0.00716 5 2PZ -0.00047 -0.14806 0.03067 -0.01417 -0.01551 6 3S -0.24096 2.73407 0.64533 1.87023 -0.02276 7 3PX 0.09172 -0.45807 0.12480 0.26904 0.16325 8 3PY 0.09235 -1.25720 -0.13870 -0.59233 0.04359 9 3PZ -0.17893 1.20083 0.05249 0.40820 0.02961 10 4XX 0.09338 0.22712 0.02353 -0.08898 -0.28021 11 4YY -0.05348 0.02320 0.04570 0.07862 0.03307 12 4ZZ -0.04683 -0.14154 -0.06411 0.03327 0.26969 13 4XY -0.01217 0.07986 0.09014 0.17213 0.04710 14 4XZ 0.07331 -0.02373 0.06043 0.10263 -0.02025 15 4YZ -0.05662 0.06501 0.06192 0.15464 -0.00595 16 2 C 1S 0.00566 0.02957 0.01470 0.03463 0.00268 17 2S 0.09700 0.67327 0.06300 0.35819 -0.06233 18 2PX 0.00353 -0.02410 0.06264 -0.00271 0.01800 19 2PY 0.04790 -0.04989 -0.03666 -0.07561 0.00728 20 2PZ -0.00807 0.14782 -0.03046 0.01465 -0.01502 21 3S -0.13182 -2.73108 -0.64356 -1.86841 -0.01882 22 3PX 0.05991 0.45905 -0.12482 -0.26720 0.16775 23 3PY -0.03950 -1.25479 -0.13900 -0.59242 -0.04484 24 3PZ -0.11866 -1.20208 -0.05264 -0.40899 0.02787 25 4XX 0.09909 -0.22699 -0.02301 0.08571 -0.28054 26 4YY -0.05309 -0.02303 -0.04635 -0.08000 0.03303 27 4ZZ -0.04944 0.14142 0.06390 -0.03010 0.27002 28 4XY 0.01188 0.07921 0.09011 0.17150 -0.04697 29 4XZ 0.06688 0.02461 -0.06030 -0.10260 -0.01917 30 4YZ 0.05465 0.06394 0.06168 0.15503 0.00534 31 3 C 1S -0.00228 0.00003 -0.00003 -0.00006 0.00406 32 2S -0.17398 0.00028 0.00069 0.00219 -0.01203 33 2PX -0.05149 0.00002 0.00035 0.00085 -0.03026 34 2PY -0.00004 0.00364 0.01965 -0.01622 -0.00002 35 2PZ 0.02226 0.00015 -0.00016 -0.00059 -0.00128 36 3S 0.19901 -0.00121 0.00010 -0.00083 -0.14597 37 3PX 0.24663 -0.00081 -0.00072 -0.00236 -0.04780 38 3PY -0.00004 0.03434 -0.01721 -0.10850 0.00016 39 3PZ 0.02412 -0.00011 -0.00047 0.00043 0.23870 40 4XX 0.14736 0.00036 0.00049 0.00696 0.64470 41 4YY 0.08163 -0.00006 0.00007 0.00004 0.01958 42 4ZZ -0.19868 -0.00033 -0.00079 -0.00764 -0.64576 43 4XY -0.00270 -0.06849 -0.09070 -0.15308 0.00021 44 4XZ -0.06370 0.00023 -0.00027 0.00009 0.10482 45 4YZ -0.00145 -0.12411 -0.08202 -0.03672 0.00052 46 4 O 1S -0.00106 0.01625 0.00070 -0.01025 -0.01350 47 2S -0.09171 0.07074 0.09572 0.11072 -0.05408 48 2PX 0.00726 -0.05271 0.02074 0.05480 0.04927 49 2PY 0.02124 0.02574 -0.02714 -0.03297 0.00420 50 2PZ -0.01396 0.02578 -0.02203 0.02032 0.03758 51 3S 0.19918 -0.84425 -0.19689 -0.22021 0.33883 52 3PX 0.07076 -0.13251 -0.06456 -0.21323 -0.13725 53 3PY -0.04833 0.16150 0.07965 0.05637 -0.15501 54 3PZ -0.04295 0.05420 0.06408 -0.05752 -0.23205 55 4XX 0.14853 0.03283 -0.03721 -0.22069 -0.18437 56 4YY 0.01010 0.01480 -0.00470 0.03507 0.04193 57 4ZZ -0.17732 0.02751 0.06699 0.15291 0.07363 58 4XY 0.08664 -0.09206 -0.03302 -0.02436 0.24421 59 4XZ 0.03118 -0.17256 0.04483 -0.16114 -0.10029 60 4YZ 0.04686 -0.10937 -0.07836 -0.02911 0.35385 61 5 H 1S -0.01566 0.15708 -0.01272 -0.00755 -0.11044 62 2S -0.04616 0.40314 -0.02585 0.00591 0.03550 63 6 H 1S -0.00769 -0.15631 0.01287 0.00643 -0.11108 64 2S -0.02574 -0.40394 0.02541 -0.00633 0.03335 65 7 H 1S 0.07222 0.00014 0.00048 0.00421 0.33265 66 2S -0.08976 0.00040 0.00006 -0.00205 -0.28881 67 8 O 1S -0.00028 -0.01633 -0.00066 0.01010 -0.01361 68 2S -0.08918 -0.07080 -0.09512 -0.11000 -0.05362 69 2PX 0.00484 0.05288 -0.02077 -0.05415 0.04975 70 2PY -0.02329 0.02587 -0.02709 -0.03257 -0.00408 71 2PZ -0.01084 -0.02559 0.02204 -0.01950 0.03767 72 3S 0.15881 0.84553 0.19537 0.22213 0.34023 73 3PX 0.06077 0.13173 0.06453 0.21172 -0.13831 74 3PY 0.04294 0.16241 0.07913 0.05661 0.15586 75 3PZ -0.04409 -0.05426 -0.06377 0.05384 -0.23230 76 4XX 0.15136 -0.03351 0.03761 0.21957 -0.18524 77 4YY 0.01219 -0.01440 0.00461 -0.03547 0.04329 78 4ZZ -0.17965 -0.02759 -0.06716 -0.15216 0.07263 79 4XY -0.08775 -0.09253 -0.03309 -0.02909 -0.24401 80 4XZ 0.01977 0.17176 -0.04453 0.16013 -0.10073 81 4YZ -0.04876 -0.10983 -0.07859 -0.03611 -0.35423 82 9 H 1S -0.02670 -0.00026 -0.00037 -0.00405 -0.34728 83 2S 0.11116 -0.00016 -0.00033 0.00059 0.17202 84 10 C 1S 0.01619 0.00551 0.00273 -0.03309 0.01167 85 2S 0.19565 0.04827 0.02147 -0.20661 0.07516 86 2PX -0.04126 0.07411 -0.03255 0.12557 -0.00465 87 2PY 0.14768 0.04622 -0.07472 0.16128 -0.02642 88 2PZ -0.05428 -0.04202 0.00964 -0.08290 0.00926 89 3S -0.44860 -1.15112 -0.53159 -0.59727 -0.43165 90 3PX 0.09390 0.29228 0.32133 0.39304 0.15483 91 3PY -0.07288 -0.70912 -0.16977 0.16396 0.10194 92 3PZ -0.23116 -0.28049 -0.36007 -0.42232 -0.10855 93 4XX 0.44098 -0.02154 -0.22429 -0.14339 -0.07973 94 4YY -0.22227 -0.03297 -0.03908 0.25158 0.08764 95 4ZZ -0.16275 -0.01986 0.27760 -0.13102 -0.01182 96 4XY 0.06847 0.17688 -0.44873 0.15879 0.02456 97 4XZ 0.12008 -0.08387 -0.11388 -0.29607 0.15010 98 4YZ 0.15001 -0.04221 -0.19960 0.13077 -0.07063 99 11 C 1S -0.01243 -0.00966 0.01359 -0.05895 -0.02196 100 2S -0.11276 -0.49703 -0.39248 -1.20192 -0.06726 101 2PX 0.04180 0.06023 0.08608 -0.02540 -0.00560 102 2PY -0.03146 -0.14155 -0.11402 -0.20348 0.03084 103 2PZ -0.01660 -0.05739 -0.20418 0.13273 0.04827 104 3S 0.54212 0.59072 0.54683 3.62671 0.74026 105 3PX 0.12436 -0.09685 -0.11125 -0.01188 0.10996 106 3PY 0.31695 0.76670 0.42773 1.90850 0.18759 107 3PZ 0.09990 -0.00655 -0.15160 0.47523 0.09025 108 4XX 0.39164 0.17619 -0.12093 0.05600 -0.25192 109 4YY -0.00192 -0.20270 0.13853 0.05294 0.21176 110 4ZZ -0.38276 0.08470 0.13047 0.08262 0.04062 111 4XY 0.03570 0.06824 -0.11137 -0.02604 0.08552 112 4XZ -0.19426 0.00727 0.09002 -0.23746 -0.05630 113 4YZ 0.31619 -0.21564 -0.07825 0.13815 0.09923 114 12 C 1S 0.00895 -0.03640 -0.01028 0.08698 0.01600 115 2S -0.13693 -0.30701 -0.04589 0.54080 0.09032 116 2PX -0.00488 0.07049 -0.01114 0.00327 -0.01847 117 2PY -0.05515 0.08792 0.06834 -0.06238 0.01360 118 2PZ 0.02012 0.08763 0.01360 0.13678 0.05320 119 3S -0.07762 0.74820 0.00575 -4.00536 -0.48799 120 3PX 0.07701 -0.12511 0.19929 -0.77281 -0.05750 121 3PY 0.01965 0.46724 -0.08510 -0.99858 0.08029 122 3PZ 0.12912 -0.51340 -0.12237 1.12786 0.18254 123 4XX -0.00169 -0.41730 -0.31127 0.37145 0.08874 124 4YY 0.18617 0.17466 0.11966 -0.21892 0.05296 125 4ZZ -0.13478 0.23415 0.15984 -0.14623 -0.13787 126 4XY -0.14112 -0.32228 -0.10996 -0.11644 0.03317 127 4XZ -0.03279 0.05698 -0.08528 -0.02001 0.14671 128 4YZ 0.06054 -0.28824 0.41426 0.15028 -0.03432 129 13 C 1S 0.00922 0.03628 0.01014 -0.08753 0.01664 130 2S -0.14788 0.30677 0.04516 -0.54454 0.09532 131 2PX -0.00399 -0.07035 0.01130 -0.00209 -0.01846 132 2PY 0.05670 0.08816 0.06826 -0.06109 -0.01339 133 2PZ 0.02511 -0.08798 -0.01364 -0.13822 0.05395 134 3S -0.08795 -0.74369 -0.00177 4.02144 -0.51866 135 3PX 0.05825 0.12587 -0.19988 0.77254 -0.06162 136 3PY -0.01913 0.46686 -0.08487 -0.99510 -0.07316 137 3PZ 0.13633 0.51163 0.11923 -1.14223 0.19154 138 4XX 0.00568 0.41656 0.31039 -0.37492 0.09129 139 4YY 0.18135 -0.17461 -0.12208 0.21670 0.05167 140 4ZZ -0.13444 -0.23369 -0.15656 0.15200 -0.13938 141 4XY 0.13835 -0.32168 -0.11073 -0.11759 -0.03238 142 4XZ -0.02428 -0.05912 0.08369 0.01293 0.14626 143 4YZ -0.06332 -0.28815 0.41437 0.14771 0.03394 144 14 C 1S -0.01321 0.00994 -0.01333 0.06031 -0.02243 145 2S -0.12108 0.49913 0.39411 1.20561 -0.07566 146 2PX 0.04549 -0.06003 -0.08580 0.02548 -0.00559 147 2PY 0.03133 -0.14163 -0.11446 -0.20129 -0.02954 148 2PZ -0.01980 0.05707 0.20328 -0.13452 0.04938 149 3S 0.59894 -0.60110 -0.55555 -3.66495 0.76657 150 3PX 0.12515 0.09658 0.11142 0.00794 0.11057 151 3PY -0.34922 0.77143 0.42900 1.91804 -0.20134 152 3PZ 0.11107 0.00656 0.15107 -0.47520 0.09313 153 4XX 0.39005 -0.17605 0.12056 -0.04757 -0.25128 154 4YY 0.00031 0.20314 -0.14108 -0.06091 0.21220 155 4ZZ -0.38105 -0.08545 -0.12750 -0.08220 0.04072 156 4XY -0.03191 0.06833 -0.11078 -0.02185 -0.08635 157 4XZ -0.18815 -0.00689 -0.08862 0.24062 -0.05844 158 4YZ -0.32162 -0.21448 -0.07553 0.14275 -0.09973 159 15 C 1S 0.01695 -0.00566 -0.00284 0.03259 0.01151 160 2S 0.21171 -0.04849 -0.02255 0.20586 0.07300 161 2PX -0.04413 -0.07427 0.03326 -0.12639 -0.00345 162 2PY -0.14690 0.04606 -0.07459 0.16041 0.02542 163 2PZ -0.05134 0.04212 -0.00976 0.08352 0.00850 164 3S -0.52488 1.15521 0.53505 0.61424 -0.43661 165 3PX 0.12444 -0.29356 -0.32188 -0.39962 0.15734 166 3PY 0.09977 -0.70970 -0.17015 0.16753 -0.10271 167 3PZ -0.25923 0.28109 0.36063 0.42704 -0.11122 168 4XX 0.43857 0.02139 0.22309 0.14539 -0.08024 169 4YY -0.22022 0.03251 0.03922 -0.25517 0.08875 170 4ZZ -0.16253 0.02014 -0.27698 0.13235 -0.01237 171 4XY -0.06955 0.17712 -0.44737 0.15934 -0.02652 172 4XZ 0.12558 0.08267 0.11219 0.28879 0.14835 173 4YZ -0.15711 -0.04253 -0.19914 0.12850 0.06993 174 16 H 1S 0.02487 -0.00551 -0.18383 -0.13793 0.11091 175 2S -0.04413 -0.19292 -0.09152 -0.01962 -0.03305 176 17 H 1S -0.03028 0.21480 -0.02642 0.02053 -0.15605 177 2S 0.11184 0.17066 0.11848 0.36839 0.05312 178 18 H 1S 0.09983 0.23942 0.21501 0.05814 -0.02883 179 2S -0.03784 -0.08092 -0.02154 -0.20833 0.13132 180 19 H 1S 0.09632 -0.23934 -0.21568 -0.06010 -0.02792 181 2S -0.04525 0.08103 0.02159 0.21019 0.13008 182 20 H 1S -0.02954 -0.21452 0.02879 -0.01349 -0.15596 183 2S 0.11843 -0.17159 -0.11891 -0.37049 0.05586 184 21 H 1S 0.02232 0.00459 0.18257 0.13347 0.11031 185 2S -0.05396 0.19367 0.09168 0.02109 -0.03307 186 22 H 1S -0.00706 -0.12717 0.10430 0.23357 -0.01709 187 2S -0.08856 0.28070 -0.05957 0.08902 0.01974 188 23 H 1S -0.00967 0.12732 -0.10377 -0.23012 -0.01554 189 2S -0.08442 -0.28069 0.06038 -0.08740 0.02008 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52229 2.54539 2.59889 1 1 C 1S 0.00791 0.01124 -0.00396 0.01695 0.03382 2 2S -0.13144 -0.50965 -0.11152 0.54547 0.01731 3 2PX -0.03155 0.09553 0.00966 -0.06961 0.22958 4 2PY 0.02305 0.16246 -0.01927 -0.01105 -0.15467 5 2PZ -0.03437 -0.09446 -0.07580 0.10302 -0.09637 6 3S -0.02010 0.01884 0.83735 -1.62076 -0.72806 7 3PX -0.01980 0.66351 -0.75497 -0.05639 0.40357 8 3PY -0.08887 0.40235 -0.74108 0.67694 0.21553 9 3PZ 0.01991 0.27192 0.74642 -0.52479 -0.53976 10 4XX 0.10172 -0.29389 -0.01442 -0.30022 -0.09037 11 4YY 0.04620 -0.23435 0.00330 0.03030 0.08954 12 4ZZ -0.07540 0.62807 0.04078 0.17427 0.03645 13 4XY -0.02872 -0.29772 0.31631 0.32450 -0.04204 14 4XZ 0.03808 -0.02334 -0.13575 -0.14586 0.39512 15 4YZ 0.02937 -0.11654 0.23708 0.26337 -0.00523 16 2 C 1S 0.00891 -0.01127 0.00398 -0.01699 0.03367 17 2S -0.11925 0.51101 0.11210 -0.54534 0.01494 18 2PX -0.03134 -0.09596 -0.00988 0.06901 0.22957 19 2PY -0.02509 0.16262 -0.01949 -0.01119 0.15581 20 2PZ -0.03354 0.09497 0.07582 -0.10281 -0.09662 21 3S -0.07784 -0.01798 -0.83822 1.62179 -0.71764 22 3PX -0.02761 -0.66280 0.75465 0.05496 0.40304 23 3PY 0.07026 0.40148 -0.73974 0.67595 -0.20863 24 3PZ 0.00594 -0.27160 -0.74820 0.52688 -0.53703 25 4XX 0.10370 0.29356 0.01537 0.30070 -0.09022 26 4YY 0.04411 0.23431 -0.00424 -0.03138 0.09102 27 4ZZ -0.07639 -0.62792 -0.04111 -0.17372 0.03566 28 4XY 0.03341 -0.29745 0.31590 0.32449 0.04095 29 4XZ 0.03504 0.02267 0.13636 0.14554 0.39517 30 4YZ -0.02445 -0.11378 0.23686 0.26355 0.00683 31 3 C 1S 0.01004 -0.00005 -0.00004 -0.00007 0.07429 32 2S -0.17422 0.00002 -0.00046 0.00056 -0.43906 33 2PX -0.08380 0.00014 0.00003 0.00039 -0.37914 34 2PY -0.00030 -0.08055 0.00671 0.02814 -0.00019 35 2PZ 0.05886 -0.00023 -0.00004 -0.00036 0.41703 36 3S -0.06287 0.00105 0.00183 0.00181 -2.14710 37 3PX 0.11018 0.00053 0.00089 0.00027 -0.79032 38 3PY -0.00152 -0.05020 0.12113 0.02717 -0.00014 39 3PZ 0.03611 -0.00036 -0.00054 -0.00040 0.57004 40 4XX -0.36907 0.00015 -0.00075 -0.00030 0.10329 41 4YY 0.01287 -0.00012 0.00072 0.00048 0.02707 42 4ZZ 0.41647 -0.00012 0.00014 -0.00042 0.04198 43 4XY -0.00235 -0.03663 -0.16071 -0.09191 -0.00028 44 4XZ 0.04213 -0.00037 -0.00046 -0.00041 0.56713 45 4YZ -0.00115 0.00427 -0.31416 -0.17784 -0.00043 46 4 O 1S 0.00126 -0.00299 0.02147 -0.00512 -0.06143 47 2S -0.07947 -0.21646 0.01904 0.11532 -0.92396 48 2PX -0.01981 0.00680 -0.06433 0.05060 0.01489 49 2PY 0.01380 0.08663 0.00871 -0.02711 0.08671 50 2PZ -0.02176 0.05663 -0.02609 -0.01072 -0.02224 51 3S 0.11184 0.43796 -0.63278 0.06242 3.05763 52 3PX 0.04783 -0.10942 0.04519 -0.01811 0.25945 53 3PY -0.05076 -0.32674 0.19770 0.05856 -1.28078 54 3PZ 0.09435 -0.24657 0.10342 -0.03701 -0.01441 55 4XX 0.02144 -0.38452 -0.11860 -0.26086 -0.22187 56 4YY 0.04443 0.12777 -0.07726 -0.08052 0.37431 57 4ZZ -0.05827 0.21958 0.31282 0.30793 -0.42556 58 4XY -0.11193 -0.02699 -0.05778 0.04542 -0.09088 59 4XZ 0.00514 -0.23563 -0.06018 0.03292 -0.31694 60 4YZ -0.20563 0.24648 -0.16086 -0.04202 -0.09678 61 5 H 1S 0.05356 -0.23499 0.20511 -0.01216 0.01946 62 2S 0.02959 -0.00310 0.36665 -0.13919 -0.20001 63 6 H 1S 0.05352 0.23362 -0.20437 0.01240 0.01940 64 2S 0.02861 0.00332 -0.36727 0.13930 -0.19859 65 7 H 1S -0.23297 0.00000 -0.00053 -0.00003 0.09796 66 2S 0.09433 -0.00005 0.00033 -0.00015 0.06390 67 8 O 1S 0.00152 0.00301 -0.02140 0.00525 -0.06146 68 2S -0.08262 0.21737 -0.01850 -0.11361 -0.92393 69 2PX -0.02130 -0.00664 0.06433 -0.05071 0.01503 70 2PY -0.01454 0.08682 0.00858 -0.02701 -0.08646 71 2PZ -0.02238 -0.05666 0.02608 0.01071 -0.02248 72 3S 0.11933 -0.43997 0.63038 -0.06827 3.05711 73 3PX 0.05425 0.10931 -0.04492 0.01796 0.25840 74 3PY 0.05220 -0.32779 0.19710 0.05623 1.28060 75 3PZ 0.09600 0.24631 -0.10312 0.03752 -0.01194 76 4XX 0.02787 0.38488 0.11916 0.26140 -0.22166 77 4YY 0.04263 -0.12873 0.07782 0.08041 0.37408 78 4ZZ -0.06204 -0.21879 -0.31358 -0.30781 -0.42542 79 4XY 0.11078 -0.02730 -0.05733 0.04571 0.09075 80 4XZ 0.01004 0.23582 0.06044 -0.03203 -0.31756 81 4YZ 0.20478 0.24659 -0.15957 -0.04121 0.09867 82 9 H 1S 0.21973 -0.00005 0.00044 0.00005 -0.01730 83 2S -0.01295 0.00006 -0.00012 -0.00025 0.04495 84 10 C 1S 0.02216 0.00316 0.00731 0.00397 0.00833 85 2S 0.09370 -0.06944 0.30664 0.10866 0.07368 86 2PX 0.01477 0.02460 -0.06979 -0.07488 0.03990 87 2PY -0.00743 0.00233 -0.00305 -0.03056 0.07340 88 2PZ -0.00667 -0.00913 0.05354 0.03726 -0.03023 89 3S -0.80699 -0.16828 -0.41279 0.71864 -0.27145 90 3PX 0.30195 0.11903 0.28552 -0.31715 0.12998 91 3PY 0.16810 0.05162 -0.02249 -0.10413 -0.01976 92 3PZ -0.26509 -0.17673 -0.13662 0.37582 -0.06817 93 4XX -0.06853 0.00671 -0.09916 0.04647 -0.02753 94 4YY 0.12968 -0.01296 0.00143 -0.04097 -0.06635 95 4ZZ -0.05804 0.02220 0.01891 -0.00878 0.08446 96 4XY 0.02875 -0.08769 0.08450 -0.05399 -0.08131 97 4XZ 0.31547 0.02685 0.11454 0.08571 0.00828 98 4YZ -0.07743 -0.10161 0.01038 0.01114 0.03877 99 11 C 1S -0.05741 -0.01407 0.02279 0.01264 -0.00754 100 2S -0.16823 -0.27751 0.29496 0.67703 -0.01951 101 2PX 0.01037 0.03333 0.00365 0.00803 0.03752 102 2PY 0.07643 -0.03916 0.06397 0.15924 0.00625 103 2PZ 0.07346 -0.04813 -0.08603 0.03355 -0.02239 104 3S 1.73206 0.51987 -0.92452 -1.33409 0.15707 105 3PX 0.09597 -0.08480 0.32170 -0.36595 0.06663 106 3PY 0.45289 0.12824 -0.48668 -0.98539 0.15553 107 3PZ 0.17566 -0.24163 -0.25019 0.14711 -0.07586 108 4XX -0.37469 0.05318 0.01636 -0.11669 0.03184 109 4YY 0.36647 -0.02813 -0.03776 0.00296 -0.18627 110 4ZZ -0.02112 0.01917 0.00754 -0.07050 0.15683 111 4XY 0.17638 0.01722 -0.07002 0.04194 -0.02791 112 4XZ -0.17702 0.02674 0.10198 0.03935 -0.09908 113 4YZ 0.21545 -0.08838 -0.12829 0.10880 -0.05491 114 12 C 1S 0.02748 -0.01997 -0.05254 0.00473 0.00356 115 2S 0.17354 -0.23761 -0.42393 0.09472 -0.24018 116 2PX -0.05129 0.01965 0.03153 -0.04948 0.03285 117 2PY 0.04488 0.03119 0.05664 -0.04501 -0.03169 118 2PZ 0.07186 0.02887 0.01285 -0.09553 0.10844 119 3S -0.83604 0.74627 2.12597 0.32711 0.06714 120 3PX -0.03803 -0.09998 -0.48427 0.90782 -0.19502 121 3PY 0.05695 0.27875 0.64391 0.11190 0.08526 122 3PZ 0.55838 -0.24587 -0.90288 0.32765 -0.21631 123 4XX 0.16545 -0.09294 -0.01351 -0.04894 0.08415 124 4YY 0.08741 0.09062 0.18781 -0.10939 0.01280 125 4ZZ -0.25657 0.03812 -0.15234 0.14412 -0.00216 126 4XY -0.03872 -0.02014 0.32932 -0.16391 0.06097 127 4XZ 0.31722 -0.09046 -0.41002 0.42568 -0.02358 128 4YZ -0.10610 -0.03772 -0.06715 -0.10388 -0.03713 129 13 C 1S 0.02535 0.01994 0.05255 -0.00481 0.00353 130 2S 0.16110 0.23757 0.42386 -0.09473 -0.24110 131 2PX -0.05143 -0.01958 -0.03167 0.04953 0.03320 132 2PY -0.04643 0.03112 0.05662 -0.04511 0.03150 133 2PZ 0.06814 -0.02881 -0.01285 0.09511 0.10869 134 3S -0.73650 -0.74579 -2.12515 -0.32524 0.06907 135 3PX -0.01842 0.09960 0.48517 -0.90755 -0.19794 136 3PY -0.08302 0.27861 0.64277 0.11254 -0.08503 137 3PZ 0.53080 0.24585 0.90375 -0.32768 -0.21751 138 4XX 0.15862 0.09307 0.01392 0.04803 0.08436 139 4YY 0.09268 -0.09088 -0.18734 0.10928 0.01249 140 4ZZ -0.25526 -0.03804 0.15147 -0.14319 -0.00188 141 4XY 0.03433 -0.02031 0.32893 -0.16346 -0.06070 142 4XZ 0.31597 0.09005 0.41077 -0.42671 -0.02413 143 4YZ 0.11148 -0.03785 -0.06773 -0.10368 0.03737 144 14 C 1S -0.05604 0.01412 -0.02274 -0.01260 -0.00746 145 2S -0.13535 0.27724 -0.29529 -0.67663 -0.02048 146 2PX 0.01091 -0.03292 -0.00392 -0.00837 0.03704 147 2PY -0.08242 -0.03926 0.06393 0.15940 -0.00557 148 2PZ 0.07074 0.04787 0.08638 -0.03357 -0.02221 149 3S 1.63895 -0.52045 0.92356 1.33137 0.15392 150 3PX 0.09908 0.08511 -0.32193 0.36680 0.06617 151 3PY -0.40246 0.12753 -0.48648 -0.98450 -0.15577 152 3PZ 0.16317 0.24167 0.24913 -0.14976 -0.07534 153 4XX -0.37600 -0.05348 -0.01675 0.11772 0.03236 154 4YY 0.36550 0.02818 0.03807 -0.00402 -0.18702 155 4ZZ -0.02490 -0.01876 -0.00723 0.07035 0.15756 156 4XY -0.17842 0.01736 -0.06966 0.04219 0.02914 157 4XZ -0.17293 -0.02664 -0.10157 -0.03897 -0.09844 158 4YZ -0.21151 -0.08735 -0.12834 0.10919 0.05402 159 15 C 1S 0.02312 -0.00316 -0.00734 -0.00399 0.00808 160 2S 0.09862 0.06938 -0.30713 -0.10959 0.07301 161 2PX 0.01212 -0.02441 0.06982 0.07506 0.03978 162 2PY 0.01148 0.00225 -0.00268 -0.03036 -0.07377 163 2PZ -0.00490 0.00902 -0.05331 -0.03748 -0.03017 164 3S -0.79241 0.16781 0.41431 -0.71709 -0.26368 165 3PX 0.29147 -0.11874 -0.28617 0.31692 0.12810 166 3PY -0.16445 0.05113 -0.02293 -0.10314 0.01807 167 3PZ -0.25294 0.17675 0.13723 -0.37511 -0.06630 168 4XX -0.06415 -0.00727 0.09880 -0.04632 -0.02843 169 4YY 0.12251 0.01325 -0.00129 0.04092 -0.06501 170 4ZZ -0.05464 -0.02210 -0.01851 0.00892 0.08392 171 4XY -0.02762 -0.08735 0.08461 -0.05397 0.08161 172 4XZ 0.32432 -0.02689 -0.11477 -0.08611 0.00658 173 4YZ 0.08072 -0.10157 0.01059 0.01094 -0.03924 174 16 H 1S 0.18794 0.00527 0.05256 0.03149 -0.03664 175 2S -0.08765 -0.06932 -0.08889 0.07045 -0.00682 176 17 H 1S -0.31995 -0.03176 0.05165 -0.09824 0.11007 177 2S 0.12802 0.03060 -0.11458 -0.25501 0.02771 178 18 H 1S 0.08089 -0.01590 -0.46459 0.31627 -0.11674 179 2S -0.05765 -0.09456 0.07176 0.10236 0.06725 180 19 H 1S 0.07767 0.01575 0.46476 -0.31639 -0.11733 181 2S -0.05138 0.09429 -0.07200 -0.10225 0.06605 182 20 H 1S -0.32083 0.03219 -0.05170 0.09888 0.11086 183 2S 0.11804 -0.03082 0.11442 0.25486 0.02806 184 21 H 1S 0.19280 -0.00539 -0.05261 -0.03172 -0.03750 185 2S -0.08658 0.06930 0.08910 -0.07026 -0.00602 186 22 H 1S -0.13066 0.02087 0.28877 -0.42901 0.03824 187 2S -0.05894 0.07894 0.13405 -0.20602 0.15129 188 23 H 1S -0.13576 -0.02076 -0.28892 0.42914 0.03856 189 2S -0.06159 -0.07871 -0.13440 0.20585 0.15216 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64517 2.67570 2.69296 2.69442 1 1 C 1S -0.00074 0.03922 0.02972 -0.03015 0.00294 2 2S -0.05896 0.17765 0.08283 -0.10835 0.00680 3 2PX -0.10536 -0.08441 -0.01843 0.00652 0.00607 4 2PY 0.02283 0.24082 0.18953 -0.23511 0.00866 5 2PZ 0.02043 0.06675 0.03245 -0.03835 -0.02101 6 3S 0.22940 -1.67175 -1.23585 1.21158 -0.12246 7 3PX -0.08668 0.03304 0.12139 0.01734 0.00572 8 3PY 0.03839 0.89216 0.76119 -0.74961 -0.02501 9 3PZ 0.09894 -0.46045 -0.27427 0.09429 0.01538 10 4XX 0.01244 0.21760 0.22591 -0.23872 -0.00217 11 4YY -0.00117 -0.43737 -0.37453 0.48193 -0.01005 12 4ZZ 0.05087 0.17954 0.11308 -0.16670 -0.00309 13 4XY 0.01050 -0.10092 -0.03273 -0.01969 0.03084 14 4XZ -0.14166 -0.13096 0.01412 -0.02460 -0.00724 15 4YZ -0.00236 0.05013 0.13282 -0.15472 -0.02135 16 2 C 1S -0.00052 -0.03920 -0.02974 0.03031 0.00076 17 2S -0.05764 -0.17701 -0.08315 0.11006 -0.00154 18 2PX -0.10466 0.08535 0.01825 -0.00618 0.00640 19 2PY -0.02379 0.24176 0.18959 -0.23505 0.00776 20 2PZ 0.02045 -0.06652 -0.03207 0.03656 -0.02370 21 3S 0.21928 1.67018 1.23722 -1.21897 -0.03290 22 3PX -0.08534 -0.03190 -0.12153 -0.01669 0.00551 23 3PY -0.04317 0.88991 0.76040 -0.74653 0.07978 24 3PZ 0.09689 0.46060 0.27645 -0.09614 0.02419 25 4XX 0.01312 -0.21813 -0.22582 0.23786 -0.01842 26 4YY -0.00289 0.43692 0.37392 -0.48091 0.02346 27 4ZZ 0.05157 -0.17919 -0.11244 0.16519 -0.01482 28 4XY -0.01035 -0.10118 -0.03291 -0.02144 -0.02925 29 4XZ -0.14092 0.13184 -0.01492 0.02457 -0.00926 30 4YZ 0.00097 0.05202 0.13445 -0.15479 0.03209 31 3 C 1S -0.01676 0.00007 -0.00006 -0.00039 -0.01205 32 2S 0.00899 -0.00008 0.00028 -0.00130 -0.01420 33 2PX 0.06132 -0.00031 0.00028 0.00096 0.03737 34 2PY 0.00006 0.25163 0.17477 -0.26562 0.00928 35 2PZ -0.08963 0.00061 -0.00023 -0.00218 -0.06557 36 3S 0.59901 -0.00276 0.00192 0.01373 0.41469 37 3PX 0.27665 -0.00098 0.00111 0.00799 0.24175 38 3PY -0.00006 0.35155 0.23154 -0.32572 0.01137 39 3PZ -0.12381 0.00086 -0.00026 -0.00145 -0.04749 40 4XX 0.00343 0.00042 0.00012 -0.00115 -0.02286 41 4YY -0.01666 0.00009 -0.00008 0.00081 0.00869 42 4ZZ 0.00405 -0.00044 -0.00009 0.00147 0.03931 43 4XY 0.00005 0.26261 0.17516 -0.26196 0.00923 44 4XZ -0.14420 0.00070 -0.00050 -0.00286 -0.09199 45 4YZ 0.00010 -0.26593 -0.18243 0.26964 -0.00942 46 4 O 1S 0.01855 0.02768 0.01421 -0.01324 0.00139 47 2S 0.21374 0.11661 0.06615 -0.18819 0.10726 48 2PX -0.00908 -0.04485 -0.02453 0.00848 0.01125 49 2PY -0.01358 0.02124 0.01423 -0.01859 -0.00527 50 2PZ -0.00181 0.01130 0.01155 -0.01795 0.00489 51 3S -0.78625 -0.39493 -0.19613 0.50333 -0.29244 52 3PX -0.09480 0.18598 0.13865 -0.10400 0.02804 53 3PY 0.29202 0.21932 0.11497 -0.21460 0.15762 54 3PZ 0.03391 -0.07079 -0.08046 0.13242 -0.08947 55 4XX 0.04062 0.11724 0.07719 -0.05833 0.05017 56 4YY -0.06703 -0.13545 -0.09308 0.15849 -0.10520 57 4ZZ 0.11398 0.10226 0.04365 -0.08488 0.04613 58 4XY 0.05770 -0.05780 -0.08105 0.10331 -0.03798 59 4XZ 0.08976 0.20999 0.10416 -0.09155 -0.01749 60 4YZ 0.01648 0.08550 0.06937 -0.09831 0.04341 61 5 H 1S -0.05777 -0.00452 0.07085 -0.11224 -0.00560 62 2S 0.02665 -0.19632 -0.19736 0.15649 0.06117 63 6 H 1S -0.05700 0.00406 -0.07151 0.11198 -0.01320 64 2S 0.02557 0.19570 0.19789 -0.15260 0.07288 65 7 H 1S -0.03126 0.00020 -0.00020 -0.00187 -0.05769 66 2S -0.06388 0.00018 -0.00009 -0.00141 -0.03426 67 8 O 1S 0.01851 -0.02786 -0.01414 0.01328 0.00055 68 2S 0.21300 -0.11842 -0.06458 0.19378 0.09403 69 2PX -0.00917 0.04502 0.02455 -0.00765 0.01160 70 2PY 0.01341 0.02119 0.01446 -0.01863 0.00664 71 2PZ -0.00159 -0.01143 -0.01159 0.01819 0.00364 72 3S -0.78345 0.40192 0.19115 -0.51850 -0.25872 73 3PX -0.09366 -0.18548 -0.13909 0.10632 0.02062 74 3PY -0.29123 0.22200 0.11252 -0.22242 -0.14291 75 3PZ 0.03244 0.07117 0.08070 -0.13879 -0.07987 76 4XX 0.04059 -0.11753 -0.07641 0.06086 0.04630 77 4YY -0.06713 0.13533 0.09151 -0.16317 -0.09372 78 4ZZ 0.11375 -0.10263 -0.04256 0.08638 0.04010 79 4XY -0.05730 -0.05724 -0.08118 0.10615 0.03060 80 4XZ 0.08934 -0.21130 -0.10425 0.09099 -0.02353 81 4YZ -0.01708 0.08594 0.06949 -0.10163 -0.03660 82 9 H 1S -0.00072 -0.00016 -0.00001 0.00095 0.02309 83 2S 0.02556 0.00013 0.00022 0.00135 0.04216 84 10 C 1S 0.03620 -0.09134 0.00243 -0.05614 -0.02077 85 2S -0.07676 -0.29555 0.03092 -0.05983 0.08342 86 2PX 0.27656 -0.11565 -0.01076 -0.03470 -0.16075 87 2PY 0.27675 0.18442 -0.12174 0.22430 -0.04195 88 2PZ -0.20665 0.07129 0.02482 0.05128 0.16096 89 3S -0.94739 4.83740 -0.18356 2.12070 0.87291 90 3PX 0.41007 -1.32339 -0.09805 -0.46035 -0.31944 91 3PY 0.05849 1.45592 -0.45590 0.72984 -0.43199 92 3PZ -0.38814 1.40993 0.32055 0.37718 0.27273 93 4XX -0.07552 -0.19361 -0.09694 -0.36709 0.14417 94 4YY -0.08825 0.44816 -0.24073 0.43733 -0.22491 95 4ZZ 0.16275 -0.23891 0.26508 -0.09120 0.20012 96 4XY -0.31779 -0.10221 0.11005 -0.11192 0.10895 97 4XZ 0.23973 -0.46471 -0.11103 -0.18917 -0.38821 98 4YZ 0.24473 0.23593 -0.32470 -0.28346 -0.12750 99 11 C 1S -0.05656 0.05200 0.01594 -0.00471 -0.00402 100 2S 0.00864 0.62640 0.01405 0.19164 -0.07533 101 2PX 0.17997 -0.13291 -0.07432 -0.14829 -0.18073 102 2PY 0.15259 0.03906 -0.04984 0.03237 -0.06961 103 2PZ -0.10533 0.11461 0.06748 0.13034 0.25660 104 3S 1.48646 -3.28694 -0.56416 -0.85848 -0.09566 105 3PX 0.28912 -0.49584 -0.24040 -0.11764 -0.61265 106 3PY 0.66323 -1.77098 -0.22546 -0.51092 -0.00249 107 3PZ -0.09794 0.14019 -0.18498 0.13449 0.86142 108 4XX 0.03672 0.08800 -0.19036 -0.30842 -0.20068 109 4YY -0.39024 -0.18192 -0.02261 -0.14648 -0.24136 110 4ZZ 0.29625 0.00285 0.14674 0.35563 0.38516 111 4XY 0.19837 -0.21246 -0.07164 -0.10481 -0.43257 112 4XZ -0.63412 0.23630 0.05465 0.08949 0.03309 113 4YZ -0.18531 0.10362 -0.17725 -0.00803 0.52166 114 12 C 1S 0.02329 -0.02598 0.04816 0.00042 0.04175 115 2S 0.03930 0.03564 0.01565 -0.29163 -0.03113 116 2PX -0.04949 0.01458 -0.02180 0.00685 -0.06598 117 2PY 0.11889 0.01531 -0.20907 0.02206 0.08215 118 2PZ 0.11419 -0.11253 -0.02021 0.07595 0.18149 119 3S -0.48354 1.44770 -0.83224 0.86444 -0.83759 120 3PX 0.03018 0.28938 0.31646 -0.25969 -0.06156 121 3PY -0.03902 0.42432 -0.69409 0.43964 0.18432 122 3PZ 0.33056 -0.32443 -0.11420 -0.20142 0.46945 123 4XX 0.20318 -0.12057 0.36992 0.13477 0.22120 124 4YY -0.04332 0.07538 -0.65203 0.02777 0.13108 125 4ZZ -0.11347 -0.03869 0.40651 -0.04436 -0.29200 126 4XY -0.00254 0.01517 0.08569 0.16386 0.07109 127 4XZ 0.00026 0.04206 -0.02712 0.14129 0.15824 128 4YZ -0.20640 -0.04354 -0.12030 -0.33952 -0.24101 129 13 C 1S 0.02360 0.02583 -0.04794 0.00254 0.04185 130 2S 0.04033 -0.03680 -0.01579 0.28786 -0.05223 131 2PX -0.04965 -0.01430 0.02146 -0.01150 -0.06504 132 2PY -0.11817 0.01585 -0.20982 0.01663 -0.08336 133 2PZ 0.11413 0.11221 0.02086 -0.06270 0.18664 134 3S -0.49556 -1.44364 0.82791 -0.92088 -0.77614 135 3PX 0.03288 -0.28904 -0.31636 0.25420 -0.08009 136 3PY 0.04424 0.42308 -0.69474 0.42446 -0.21507 137 3PZ 0.33272 0.32243 0.11597 0.23357 0.45295 138 4XX 0.20482 0.11975 -0.36858 -0.11903 0.23229 139 4YY -0.04674 -0.07516 0.65270 -0.01713 0.13037 140 4ZZ -0.11124 0.03927 -0.40802 0.02274 -0.29340 141 4XY 0.00366 0.01510 0.08479 0.15802 -0.08323 142 4XZ -0.00097 -0.04260 0.02787 -0.12921 0.16681 143 4YZ 0.20582 -0.04456 -0.11680 -0.32192 0.26678 144 14 C 1S -0.05668 -0.05166 -0.01620 0.00460 -0.00432 145 2S 0.00631 -0.62598 -0.01423 -0.19693 -0.06166 146 2PX 0.18093 0.13197 0.07446 0.13414 -0.19127 147 2PY -0.15179 0.04011 -0.04995 0.03820 0.06662 148 2PZ -0.10611 -0.11406 -0.06728 -0.11081 0.26566 149 3S 1.49862 3.27646 0.56976 0.84360 -0.15767 150 3PX 0.29105 0.49635 0.24102 0.07187 -0.62028 151 3PY -0.66992 -1.76543 -0.22876 -0.50629 0.03718 152 3PZ -0.10024 -0.14214 0.18706 -0.07235 0.86933 153 4XX 0.03643 -0.08673 0.19041 0.29365 -0.22442 154 4YY -0.39045 0.18167 0.02019 0.12859 -0.24922 155 4ZZ 0.29681 -0.00359 -0.14489 -0.32722 0.40976 156 4XY -0.19767 -0.21116 -0.07113 -0.07165 0.43928 157 4XZ -0.63589 -0.23373 -0.05728 -0.08517 0.04123 158 4YZ 0.18413 0.10273 -0.17788 -0.04546 -0.52050 159 15 C 1S 0.03680 0.09115 -0.00234 0.05437 -0.02485 160 2S -0.07491 0.29597 -0.03131 0.06563 0.07932 161 2PX 0.27727 0.11417 0.01169 0.02216 -0.16310 162 2PY -0.27388 0.18591 -0.12284 0.22748 0.02533 163 2PZ -0.20713 -0.06998 -0.02559 -0.03849 0.16431 164 3S -0.97472 -4.83090 0.18215 -2.04764 1.02377 165 3PX 0.41671 1.31992 0.09920 0.43369 -0.35257 166 3PY -0.04633 1.46000 -0.45432 0.76072 0.37837 167 3PZ -0.39373 -1.40459 -0.32197 -0.35331 0.30004 168 4XX -0.07536 0.19383 0.09696 0.37684 0.11714 169 4YY -0.09154 -0.44891 0.24072 -0.45214 -0.19361 170 4ZZ 0.16567 0.23953 -0.26472 0.10504 0.19345 171 4XY 0.31756 -0.10363 0.11081 -0.11958 -0.09995 172 4XZ 0.24231 0.46266 0.11150 0.15946 -0.40186 173 4YZ -0.24260 0.23625 -0.32435 -0.27353 0.14743 174 16 H 1S -0.10025 -0.20974 0.07940 -0.01268 -0.11786 175 2S -0.07713 0.56218 -0.02361 0.13222 0.09973 176 17 H 1S 0.20386 0.05722 0.01544 0.07366 0.12119 177 2S 0.03350 -0.33828 -0.13675 -0.13297 -0.05349 178 18 H 1S -0.02397 -0.01156 -0.07790 -0.17041 -0.02875 179 2S 0.04236 0.05068 0.15054 -0.06394 -0.04421 180 19 H 1S -0.02338 0.01125 0.07774 0.16755 -0.04182 181 2S 0.04329 -0.05028 -0.15063 0.06076 -0.04828 182 20 H 1S 0.20366 -0.05725 -0.01382 -0.06463 0.12636 183 2S 0.03450 0.33714 0.13673 0.12807 -0.06314 184 21 H 1S -0.09935 0.20986 -0.08014 0.00409 -0.11843 185 2S -0.08001 -0.56140 0.02364 -0.12413 0.10881 186 22 H 1S -0.06347 -0.07348 -0.10693 -0.09026 -0.03258 187 2S -0.05774 -0.03233 -0.01707 0.15707 -0.03746 188 23 H 1S -0.06365 0.07381 0.10656 0.08801 -0.03895 189 2S -0.05860 0.03270 0.01677 -0.15883 -0.02535 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76595 2.80387 2.86686 2.87993 1 1 C 1S -0.02040 0.02621 -0.10188 0.01586 0.02801 2 2S -0.15217 -0.09031 -0.64236 -0.06176 -0.18651 3 2PX -0.04606 0.25707 -0.27619 -0.09544 0.32181 4 2PY 0.13866 -0.17856 -0.23398 0.28276 -0.08258 5 2PZ 0.05881 -0.16168 0.03030 0.07310 -0.22865 6 3S 1.07926 -0.61492 5.68266 -0.43089 -0.96875 7 3PX -0.11838 0.19025 -0.75590 -0.02163 0.37035 8 3PY -0.03122 -0.16086 -2.30750 0.29593 -0.32775 9 3PZ 0.50556 -0.19978 1.89255 0.01329 -0.33074 10 4XX 0.21069 -0.03838 -0.18596 0.23077 -0.22146 11 4YY -0.32774 -0.04384 0.47879 -0.55600 0.21636 12 4ZZ 0.03566 0.09103 -0.12017 0.30707 -0.07984 13 4XY -0.04247 0.25705 -0.00709 0.44683 0.13173 14 4XZ -0.00884 0.18815 -0.42115 -0.10582 0.37871 15 4YZ 0.05361 -0.18948 -0.38872 -0.50551 -0.10457 16 2 C 1S 0.02047 0.02603 0.10186 -0.01590 0.02804 17 2S 0.15057 -0.09250 0.64178 0.06158 -0.18683 18 2PX 0.04751 0.25693 0.27622 0.09531 0.32214 19 2PY 0.13925 0.17840 -0.23322 0.28254 0.08277 20 2PZ -0.05943 -0.16142 -0.03114 -0.07231 -0.22892 21 3S -1.08086 -0.60440 -5.68224 0.43174 -0.97149 22 3PX 0.11882 0.18860 0.75613 0.02165 0.36989 23 3PY -0.02789 0.16284 -2.30451 0.29569 0.32746 24 3PZ -0.50519 -0.19451 -1.89806 -0.01265 -0.33065 25 4XX -0.21048 -0.03640 0.18676 -0.23064 -0.22074 26 4YY 0.32748 -0.04615 -0.47783 0.55798 0.21487 27 4ZZ -0.03520 0.09108 0.11852 -0.30935 -0.07947 28 4XY -0.04372 -0.25545 -0.00859 0.44792 -0.13315 29 4XZ 0.00925 0.18743 0.42179 0.10702 0.37880 30 4YZ 0.05563 0.18798 -0.39048 -0.50401 0.10533 31 3 C 1S 0.00004 0.02773 0.00011 -0.00005 -0.07866 32 2S 0.00063 -0.01875 -0.00055 -0.00012 0.25252 33 2PX 0.00017 -0.05931 -0.00042 0.00009 0.29583 34 2PY 0.39083 -0.00268 0.51815 -0.34035 0.00066 35 2PZ 0.00022 0.07556 0.00099 -0.00035 -0.32715 36 3S -0.00084 -0.75676 -0.00250 0.00125 2.15245 37 3PX 0.00022 -0.00933 -0.00079 -0.00016 0.37843 38 3PY 0.38411 -0.00252 0.28893 -0.32210 0.00045 39 3PZ -0.00008 -0.03194 0.00022 -0.00013 -0.35519 40 4XX 0.00094 0.39423 0.00042 -0.00065 -0.35308 41 4YY -0.00157 -0.74228 -0.00014 0.00089 0.56672 42 4ZZ 0.00059 0.40235 0.00002 -0.00029 -0.24817 43 4XY 0.35246 -0.00170 0.39848 -0.12379 0.00014 44 4XZ -0.00037 -0.14355 0.00063 0.00020 -0.16513 45 4YZ -0.31658 0.00086 -0.32456 0.27959 0.00072 46 4 O 1S 0.02189 -0.04869 0.03122 -0.03029 0.00139 47 2S 0.42687 -0.33132 0.85316 -0.04192 0.00718 48 2PX 0.00656 -0.00124 0.05079 0.02981 -0.04386 49 2PY 0.00582 -0.07710 -0.04183 -0.02971 -0.05007 50 2PZ 0.01058 0.00298 -0.01571 -0.02242 0.03255 51 3S -1.35430 1.36064 -2.86031 0.44170 -0.02148 52 3PX -0.11280 0.25806 -0.65509 -0.17973 1.07628 53 3PY 0.45728 -0.17422 0.96709 -0.06305 0.44224 54 3PZ -0.05615 -0.12500 0.17280 0.15450 -0.86833 55 4XX 0.07489 0.23262 -0.02408 0.04069 0.31477 56 4YY -0.17318 -0.51058 -0.23121 -0.14927 -0.30505 57 4ZZ 0.09979 0.06805 0.25501 -0.07329 0.05499 58 4XY -0.11062 0.11700 0.06529 0.43265 -0.64989 59 4XZ 0.15907 -0.60916 0.23949 -0.17526 -0.18701 60 4YZ 0.13688 -0.14230 0.12906 -0.28860 0.54268 61 5 H 1S 0.04889 -0.02825 -0.24980 -0.27578 0.05022 62 2S -0.03997 0.05112 0.71590 0.10412 0.01795 63 6 H 1S -0.04890 -0.02712 0.25056 0.27636 0.05051 64 2S 0.04089 0.05110 -0.71728 -0.10456 0.01781 65 7 H 1S -0.00032 -0.09322 0.00000 0.00017 -0.05894 66 2S 0.00060 0.22025 0.00061 -0.00042 -0.15268 67 8 O 1S -0.02208 -0.04837 -0.03132 0.03046 0.00135 68 2S -0.42740 -0.32726 -0.85491 0.04191 0.00670 69 2PX -0.00661 -0.00134 -0.05068 -0.03000 -0.04381 70 2PY 0.00647 0.07688 -0.04201 -0.02997 0.05007 71 2PZ -0.01046 0.00327 0.01558 0.02249 0.03258 72 3S 1.35766 1.34642 2.86604 -0.44361 -0.01952 73 3PX 0.11375 0.25809 0.65447 0.18022 1.07670 74 3PY 0.45606 0.16977 0.97022 -0.06255 -0.43970 75 3PZ 0.05605 -0.12621 -0.17070 -0.15490 -0.86952 76 4XX -0.07318 0.23336 0.02358 -0.04101 0.31446 77 4YY 0.16908 -0.51250 0.23121 0.15227 -0.30303 78 4ZZ -0.09829 0.06986 -0.25481 0.07163 0.05327 79 4XY -0.11112 -0.11307 0.06505 0.43329 0.65026 80 4XZ -0.16232 -0.60749 -0.24054 0.17763 -0.18637 81 4YZ 0.13788 0.13845 0.13058 -0.28937 -0.54338 82 9 H 1S -0.00024 -0.07781 -0.00012 0.00010 0.00242 83 2S 0.00037 0.16848 0.00006 -0.00034 -0.15178 84 10 C 1S 0.03643 0.00310 0.00782 0.00507 0.00692 85 2S 0.29454 0.05921 0.04145 -0.01543 0.13534 86 2PX 0.12040 0.00258 0.03294 0.00524 0.01203 87 2PY 0.19088 0.00754 0.00842 -0.03250 0.04056 88 2PZ -0.08415 -0.01734 -0.01735 0.00478 -0.02922 89 3S -3.14683 -0.19868 -1.03477 -0.26875 -0.42590 90 3PX 1.23047 0.07934 0.40671 0.03803 0.19580 91 3PY -0.53477 0.05397 -0.22230 -0.14425 0.04448 92 3PZ -1.31530 -0.01923 -0.38902 -0.03337 -0.09488 93 4XX -0.22835 -0.02221 0.00535 0.01811 -0.04954 94 4YY 0.29265 0.00169 -0.00569 -0.04837 -0.01507 95 4ZZ -0.05867 -0.00923 -0.01541 0.05290 0.00241 96 4XY -0.06509 -0.00886 0.03108 0.01537 -0.02477 97 4XZ 0.34549 0.03649 0.02861 -0.03098 0.06136 98 4YZ -0.19995 0.00549 0.01922 -0.04922 0.01972 99 11 C 1S -0.07986 -0.00404 -0.01694 -0.00219 -0.01092 100 2S -0.83749 -0.03205 -0.48244 -0.16633 -0.07334 101 2PX 0.12903 0.01635 0.04262 -0.00106 0.02483 102 2PY 0.01624 0.00277 -0.08052 -0.02812 0.00851 103 2PZ 0.01721 -0.01854 -0.09835 0.04602 -0.02246 104 3S 4.27977 0.15031 1.05661 0.35900 0.44532 105 3PX 0.17118 0.02276 0.05156 -0.08387 0.04759 106 3PY 1.92124 0.02541 0.68669 0.18276 0.15644 107 3PZ 0.39848 -0.11425 -0.18523 0.05364 -0.17518 108 4XX -0.24058 0.02718 0.18533 -0.02004 0.03304 109 4YY 0.17021 0.01083 0.00248 0.02491 0.00321 110 4ZZ 0.29028 -0.03112 -0.05352 0.06309 -0.02636 111 4XY 0.19856 0.02961 -0.03047 -0.01947 0.04614 112 4XZ -0.28962 0.00014 0.04653 -0.01717 -0.03651 113 4YZ 0.07321 -0.02841 -0.12952 0.04433 -0.04074 114 12 C 1S 0.03531 -0.00453 -0.01176 0.00773 -0.00607 115 2S 0.21567 -0.04725 -0.27640 0.03920 0.02164 116 2PX -0.06109 0.00932 0.05054 -0.01281 -0.01701 117 2PY 0.12100 -0.01067 -0.04013 0.01735 0.00840 118 2PZ 0.20604 -0.00145 0.06661 0.02584 -0.00332 119 3S -2.28406 0.13060 0.19969 -0.33618 0.04028 120 3PX -0.34399 -0.02989 -0.49658 0.02460 0.05163 121 3PY 0.20978 -0.01840 -0.04608 -0.02007 -0.04590 122 3PZ 0.97338 -0.04807 -0.40416 0.15980 0.01686 123 4XX 0.01226 -0.00316 0.06143 0.01236 -0.01483 124 4YY 0.35576 -0.00893 -0.13335 0.04045 -0.02567 125 4ZZ -0.36222 0.02051 0.14068 -0.04843 0.00350 126 4XY 0.04674 -0.00764 -0.04521 0.00379 -0.02322 127 4XZ 0.17594 0.00215 -0.08629 0.02033 0.01332 128 4YZ -0.15710 0.01579 0.03226 -0.01509 0.01012 129 13 C 1S -0.03528 -0.00437 0.01176 -0.00770 -0.00607 130 2S -0.21492 -0.04611 0.27635 -0.03897 0.02162 131 2PX 0.06083 0.00907 -0.05045 0.01272 -0.01714 132 2PY 0.12114 0.01026 -0.03995 0.01735 -0.00870 133 2PZ -0.20583 -0.00047 -0.06670 -0.02570 -0.00314 134 3S 2.28222 0.11846 -0.19902 0.33487 0.04014 135 3PX 0.34252 -0.03168 0.49670 -0.02475 0.05205 136 3PY 0.21182 0.01803 -0.04653 -0.02013 0.04475 137 3PZ -0.97183 -0.04361 0.40332 -0.15939 0.01800 138 4XX -0.01255 -0.00320 -0.06126 -0.01234 -0.01500 139 4YY -0.35518 -0.00756 0.13328 -0.04034 -0.02479 140 4ZZ 0.36163 0.01909 -0.14072 0.04822 0.00273 141 4XY 0.04713 0.00776 -0.04533 0.00382 0.02312 142 4XZ -0.17480 0.00276 0.08602 -0.02011 0.01371 143 4YZ -0.15847 -0.01564 0.03264 -0.01510 -0.01004 144 14 C 1S 0.07980 -0.00441 0.01703 0.00218 -0.01091 145 2S 0.83718 -0.03699 0.48212 0.16633 -0.07340 146 2PX -0.12912 0.01715 -0.04230 0.00103 0.02446 147 2PY 0.01595 -0.00256 -0.08058 -0.02806 -0.00823 148 2PZ -0.01708 -0.01874 0.09854 -0.04601 -0.02200 149 3S -4.27593 0.17247 -1.05837 -0.35859 0.44460 150 3PX -0.17370 0.02327 -0.05220 0.08345 0.04661 151 3PY 1.91975 -0.03576 0.68756 0.18260 -0.15614 152 3PZ -0.39572 -0.11244 0.18573 -0.05249 -0.17378 153 4XX 0.23923 0.02696 -0.18592 0.01999 0.03282 154 4YY -0.16875 0.01172 -0.00158 -0.02505 0.00295 155 4ZZ -0.29019 -0.03032 0.05338 -0.06287 -0.02602 156 4XY 0.19880 -0.03057 -0.03044 -0.01933 -0.04561 157 4XZ 0.28910 -0.00137 -0.04582 0.01680 -0.03654 158 4YZ 0.07368 0.02819 -0.12965 0.04417 0.03985 159 15 C 1S -0.03643 0.00336 -0.00786 -0.00507 0.00696 160 2S -0.29364 0.06069 -0.04153 0.01534 0.13552 161 2PX -0.12058 0.00323 -0.03313 -0.00519 0.01183 162 2PY 0.19031 -0.00805 0.00865 -0.03255 -0.03980 163 2PZ 0.08436 -0.01786 0.01765 -0.00480 -0.02904 164 3S 3.14435 -0.21727 1.03534 0.26920 -0.42706 165 3PX -1.22932 0.08597 -0.40707 -0.03806 0.19499 166 3PY -0.53801 -0.04963 -0.22357 -0.14404 -0.04156 167 3PZ 1.31313 -0.02588 0.38886 0.03303 -0.09409 168 4XX 0.22860 -0.02271 -0.00549 -0.01800 -0.04902 169 4YY -0.29246 0.00239 0.00583 0.04845 -0.01606 170 4ZZ 0.05768 -0.00939 0.01546 -0.05303 0.00290 171 4XY -0.06383 0.00876 0.03091 0.01526 0.02421 172 4XZ -0.34490 0.03827 -0.02885 0.03103 0.06089 173 4YZ -0.20090 -0.00491 0.01946 -0.04902 -0.01912 174 16 H 1S 0.12376 0.02173 -0.01167 0.00239 0.02002 175 2S -0.42567 0.00073 -0.13478 -0.01613 -0.02756 176 17 H 1S -0.11661 -0.02535 0.04130 -0.01883 -0.02170 177 2S 0.44651 0.01539 0.11985 0.05353 0.03656 178 18 H 1S 0.09132 0.00527 -0.11183 0.02479 0.02006 179 2S 0.08217 -0.05665 -0.10180 0.00553 0.00215 180 19 H 1S -0.09107 0.00582 0.11180 -0.02474 0.02023 181 2S -0.08295 -0.05608 0.10173 -0.00530 0.00226 182 20 H 1S 0.11582 -0.02593 -0.04167 0.01883 -0.02163 183 2S -0.44573 0.01792 -0.11991 -0.05346 0.03669 184 21 H 1S -0.12355 0.02234 0.01173 -0.00246 0.02013 185 2S 0.42527 -0.00150 0.13492 0.01607 -0.02759 186 22 H 1S 0.08217 -0.00756 0.06377 0.00164 -0.02111 187 2S 0.07234 0.01762 0.22406 -0.01486 -0.02793 188 23 H 1S -0.08228 -0.00701 -0.06367 -0.00164 -0.02122 189 2S -0.07237 0.01805 -0.22390 0.01489 -0.02821 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10579 3.13118 4.00625 4.10573 1 1 C 1S 0.01519 -0.05503 0.02323 -0.01599 0.08373 2 2S 0.20127 -0.14411 0.05624 0.24818 -0.77615 3 2PX 0.01410 -0.40496 0.06188 0.05299 -0.15522 4 2PY 0.06660 0.23553 -0.04000 -0.04185 -0.10363 5 2PZ 0.03143 0.19929 -0.03812 -0.00453 0.06216 6 3S -1.13189 2.85876 -1.07747 -0.87358 2.53750 7 3PX 0.19077 -1.00635 0.26764 0.33995 -1.11871 8 3PY 0.49058 -0.28974 0.34464 -0.07239 -0.49335 9 3PZ -0.48523 1.49308 -0.47265 -0.33735 1.34267 10 4XX 0.03905 0.30805 -0.04783 -0.04456 0.40942 11 4YY -0.12604 -0.24567 0.04012 -0.07774 0.50799 12 4ZZ 0.00492 -0.00924 0.03485 -0.05367 0.37861 13 4XY 0.02536 -0.44089 0.06496 -0.08585 0.01256 14 4XZ 0.03108 -0.47135 0.07893 0.05432 -0.12132 15 4YZ -0.01467 0.33414 -0.07153 0.06438 -0.03949 16 2 C 1S -0.01525 0.05489 -0.02323 -0.01573 -0.08209 17 2S -0.20054 0.14311 -0.05584 0.24602 0.76439 18 2PX -0.01469 0.40500 -0.06193 0.05274 0.15466 19 2PY 0.06650 0.23619 -0.04000 0.04202 -0.10401 20 2PZ -0.03079 -0.19924 0.03814 -0.00422 -0.06221 21 3S 1.13341 -2.85696 1.07727 -0.87218 -2.54149 22 3PX -0.19135 1.00628 -0.26756 0.33919 1.11946 23 3PY 0.48886 -0.28719 0.34335 0.07274 -0.49061 24 3PZ 0.48649 -1.49326 0.47308 -0.33684 -1.34410 25 4XX -0.03878 -0.30753 0.04763 -0.04330 -0.40199 26 4YY 0.12570 0.24440 -0.03998 -0.07622 -0.50166 27 4ZZ -0.00489 0.00984 -0.03502 -0.05260 -0.37204 28 4XY 0.02591 -0.44197 0.06514 0.08602 0.01233 29 4XZ -0.03183 0.47029 -0.07873 0.05442 0.12124 30 4YZ -0.01444 0.33473 -0.07154 -0.06476 -0.03989 31 3 C 1S 0.00004 -0.00002 0.00000 -0.11845 -0.00038 32 2S -0.00022 -0.00001 -0.00003 0.95148 0.00178 33 2PX -0.00022 0.00008 -0.00003 -0.13757 -0.00004 34 2PY -0.14721 -0.36047 0.02399 -0.00010 0.06087 35 2PZ 0.00007 -0.00031 0.00001 0.11876 0.00021 36 3S -0.00144 0.00019 0.00003 -2.06040 0.00189 37 3PX 0.00006 0.00008 0.00014 -0.55640 0.00002 38 3PY -0.11067 -0.80262 0.11838 -0.00077 0.41054 39 3PZ 0.00031 -0.00095 0.00017 0.60134 -0.00001 40 4XX 0.00019 0.00001 -0.00001 -0.55717 -0.00132 41 4YY -0.00045 -0.00058 0.00007 -0.37547 -0.00158 42 4ZZ 0.00024 0.00048 -0.00006 -0.55294 -0.00119 43 4XY -0.09555 -0.36575 0.03359 -0.00002 -0.04189 44 4XZ 0.00001 -0.00042 0.00002 0.05093 -0.00019 45 4YZ 0.09443 0.34640 -0.03858 0.00012 0.11129 46 4 O 1S -0.00778 -0.00148 0.00815 -0.38242 0.39993 47 2S -0.14667 0.41035 -0.13678 -0.38962 0.57609 48 2PX 0.00768 -0.00732 -0.00149 -0.05585 0.07584 49 2PY 0.00956 0.02950 -0.00258 0.13506 -0.17057 50 2PZ -0.00772 0.00937 -0.00617 0.02070 -0.00400 51 3S 0.59089 -1.45568 0.41004 4.65596 -5.24095 52 3PX 0.06160 -1.37010 0.28334 0.18100 -0.81951 53 3PY -0.20503 -0.03506 -0.06777 -0.95564 0.82466 54 3PZ 0.02874 0.98115 -0.16684 -0.01713 0.39278 55 4XX 0.00119 -0.50080 0.12363 -1.23365 1.20264 56 4YY 0.04129 0.38836 -0.02805 -1.13442 1.25945 57 4ZZ -0.04691 -0.13410 0.04525 -1.29875 1.35522 58 4XY 0.04453 0.42450 -0.07230 0.03978 0.14555 59 4XZ -0.02067 0.40084 -0.06611 -0.08309 0.23321 60 4YZ -0.07303 -0.37992 0.05786 -0.08558 -0.07070 61 5 H 1S -0.01805 0.14796 -0.05665 0.08760 -0.07056 62 2S -0.14513 0.20816 -0.09801 -0.04060 0.40037 63 6 H 1S 0.01783 -0.14802 0.05657 0.08758 0.06978 64 2S 0.14513 -0.20866 0.09797 -0.04079 -0.39955 65 7 H 1S -0.00001 0.00004 -0.00003 0.22974 0.00016 66 2S 0.00005 0.00009 -0.00003 -0.03663 -0.00035 67 8 O 1S 0.00778 0.00146 -0.00816 -0.38201 -0.40016 68 2S 0.14703 -0.40983 0.13676 -0.38911 -0.57624 69 2PX -0.00756 0.00757 0.00146 -0.05578 -0.07611 70 2PY 0.00940 0.02960 -0.00261 -0.13497 -0.17072 71 2PZ 0.00772 -0.00944 0.00616 0.02048 0.00402 72 3S -0.59174 1.45528 -0.41003 4.65113 5.24390 73 3PX -0.06354 1.36932 -0.28319 0.17978 0.81892 74 3PY -0.20444 -0.03279 -0.06816 0.95503 0.82611 75 3PZ -0.02775 -0.98163 0.16685 -0.01490 -0.39162 76 4XX -0.00183 0.50000 -0.12353 -1.23263 -1.20423 77 4YY -0.04047 -0.38693 0.02777 -1.13332 -1.25955 78 4ZZ 0.04642 0.13340 -0.04526 -1.29711 -1.35637 79 4XY 0.04359 0.42545 -0.07241 -0.03983 0.14541 80 4XZ 0.02133 -0.40002 0.06598 -0.08277 -0.23240 81 4YZ -0.07242 -0.38150 0.05808 0.08602 -0.07030 82 9 H 1S 0.00008 -0.00001 0.00002 0.22760 0.00009 83 2S 0.00022 -0.00010 0.00008 0.00603 -0.00048 84 10 C 1S 0.00098 0.00433 -0.05716 -0.03376 -0.00812 85 2S -0.02764 0.22690 0.08205 0.31025 0.38983 86 2PX 0.17658 -0.01772 -0.08625 0.02373 0.02803 87 2PY 0.40596 -0.01751 0.07846 0.03280 -0.02167 88 2PZ -0.16351 -0.00499 0.04937 -0.03622 -0.03571 89 3S 0.11088 -1.02755 2.10682 -0.18797 -1.45365 90 3PX 0.67960 0.37072 -0.62028 0.11942 0.55495 91 3PY 1.46997 -0.34269 0.58751 0.03509 -0.60780 92 3PZ -0.45908 -0.21269 0.71574 -0.05035 -0.45568 93 4XX -0.35248 -0.04156 -0.14096 -0.18775 -0.14675 94 4YY 0.64413 -0.00410 0.38904 -0.14205 -0.21830 95 4ZZ -0.26132 -0.05636 -0.35690 -0.15335 -0.09696 96 4XY -0.27817 0.13541 0.55047 -0.01530 -0.01988 97 4XZ 0.38689 0.03632 -0.02751 0.03902 0.07215 98 4YZ 0.31129 -0.08224 -0.45002 0.01225 0.04286 99 11 C 1S -0.00268 -0.00732 0.05164 0.01881 0.02679 100 2S 0.22329 -0.37752 0.09994 -0.25494 -0.58483 101 2PX 0.21122 0.01245 -0.17934 0.02142 0.05965 102 2PY 0.14454 -0.05424 -0.05588 -0.00589 -0.00041 103 2PZ -0.24013 -0.02615 0.11052 -0.02749 -0.03781 104 3S 0.36150 0.85207 -1.91578 0.29084 1.22916 105 3PX 0.85922 -0.08797 -0.11678 0.05114 -0.09067 106 3PY -0.03399 0.47466 -0.86125 0.18098 0.81124 107 3PZ -1.13000 0.03598 -0.21970 -0.07105 0.20601 108 4XX 0.15666 0.07155 -0.09802 0.13855 0.26289 109 4YY 0.04419 0.11078 0.46059 0.10359 0.20360 110 4ZZ -0.17179 -0.02600 -0.34401 0.09673 0.23442 111 4XY 0.39116 -0.01026 0.01618 0.03128 0.01392 112 4XZ -0.17175 0.07746 0.44789 -0.01473 -0.08619 113 4YZ -0.46140 0.01169 0.00174 -0.04407 0.00792 114 12 C 1S -0.00108 -0.00689 -0.03694 0.06655 0.01688 115 2S 0.06646 -0.19550 0.03004 -0.46123 0.06394 116 2PX 0.03458 0.02764 0.02581 0.01907 -0.03806 117 2PY -0.12617 0.00893 -0.05810 -0.02750 0.01913 118 2PZ -0.12807 0.05873 -0.14399 0.00922 0.03101 119 3S 0.24533 0.11468 1.19831 -0.20529 -0.87192 120 3PX 0.09411 -0.34131 0.16203 -0.12604 -0.03472 121 3PY -0.72587 0.15679 0.02090 0.03516 -0.17332 122 3PZ -0.55428 -0.09806 -0.32388 0.00201 0.47676 123 4XX 0.01187 0.01188 -0.20110 0.28898 0.05506 124 4YY -0.36549 0.06421 -0.00140 0.24104 0.00365 125 4ZZ 0.34545 0.00601 0.07893 0.24876 -0.03952 126 4XY -0.04016 -0.02400 -0.06263 -0.00048 -0.00706 127 4XZ -0.11593 -0.00300 0.01300 0.02080 0.06529 128 4YZ 0.10514 0.03789 0.31218 -0.00156 -0.01860 129 13 C 1S 0.00106 0.00690 0.03687 0.06645 -0.01544 130 2S -0.06625 0.19574 -0.02990 -0.46026 -0.07276 131 2PX -0.03429 -0.02770 -0.02555 0.01898 0.03801 132 2PY -0.12643 0.00899 -0.05811 0.02753 0.01926 133 2PZ 0.12776 -0.05874 0.14367 0.00926 -0.03072 134 3S -0.24465 -0.11465 -1.19726 -0.20641 0.86753 135 3PX -0.09352 0.34145 -0.16150 -0.12580 0.03427 136 3PY -0.72645 0.15688 0.02030 -0.03457 -0.17278 137 3PZ 0.55309 0.09814 0.32351 0.00257 -0.47765 138 4XX -0.01164 -0.01190 0.20095 0.28850 -0.04945 139 4YY 0.36499 -0.06428 0.00044 0.24052 0.00128 140 4ZZ -0.34528 -0.00601 -0.07808 0.24836 0.04493 141 4XY -0.04043 -0.02388 -0.06222 0.00050 -0.00709 142 4XZ 0.11537 0.00293 -0.01376 0.02084 -0.06500 143 4YZ 0.10646 0.03776 0.31203 0.00147 -0.01841 144 14 C 1S 0.00271 0.00740 -0.05159 0.01867 -0.02543 145 2S -0.22319 0.37731 -0.10016 -0.25482 0.57621 146 2PX -0.21140 -0.01223 0.17924 0.02144 -0.05987 147 2PY 0.14382 -0.05429 -0.05526 0.00602 -0.00019 148 2PZ 0.24007 0.02628 -0.11039 -0.02750 0.03781 149 3S -0.36157 -0.85307 1.91397 0.29410 -1.23287 150 3PX -0.85890 0.08782 0.11787 0.05187 0.08939 151 3PY -0.03661 0.47518 -0.86045 -0.18264 0.81102 152 3PZ 1.12960 -0.03554 0.21843 -0.07191 -0.20471 153 4XX -0.15780 -0.07193 0.09837 0.13843 -0.25828 154 4YY -0.04186 -0.11031 -0.46029 0.10307 -0.19801 155 4ZZ 0.17074 0.02630 0.34346 0.09646 -0.22975 156 4XY 0.39054 -0.00996 0.01756 -0.03132 0.01398 157 4XZ 0.17330 -0.07741 -0.44702 -0.01497 0.08658 158 4YZ -0.46123 0.01135 -0.00045 0.04411 0.00827 159 15 C 1S -0.00100 -0.00437 0.05711 -0.03380 0.00971 160 2S 0.02710 -0.22672 -0.08193 0.31126 -0.40110 161 2PX -0.17698 0.01767 0.08599 0.02380 -0.02789 162 2PY 0.40564 -0.01744 0.07917 -0.03263 -0.02149 163 2PZ 0.16386 0.00512 -0.04899 -0.03628 0.03543 164 3S -0.11115 1.02775 -2.10565 -0.19135 1.45129 165 3PX -0.68143 -0.37062 0.61950 0.12111 -0.55498 166 3PY 1.46792 -0.34341 0.58907 -0.03444 -0.60895 167 3PZ 0.46120 0.21203 -0.71413 -0.05158 0.45513 168 4XX 0.35330 0.04123 0.13974 -0.18822 0.15313 169 4YY -0.64521 0.00447 -0.38669 -0.14241 0.22400 170 4ZZ 0.26163 0.05607 0.35558 -0.15366 0.10326 171 4XY -0.27667 0.13551 0.55072 0.01521 -0.01972 172 4XZ -0.38752 -0.03612 0.02853 0.03920 -0.07225 173 4YZ 0.30920 -0.08226 -0.45089 -0.01223 0.04285 174 16 H 1S 0.00038 0.07460 0.29574 0.03215 -0.00523 175 2S 0.02809 -0.12664 0.07936 -0.03792 -0.21839 176 17 H 1S -0.03111 -0.04432 -0.20529 -0.01775 -0.00202 177 2S -0.00286 0.14006 -0.04771 0.08698 0.23862 178 18 H 1S -0.01121 -0.03978 0.04583 -0.01873 0.10046 179 2S 0.00849 -0.10159 -0.09741 -0.03422 -0.14494 180 19 H 1S 0.01109 0.03983 -0.04585 -0.01849 -0.10101 181 2S -0.00870 0.10169 0.09747 -0.03426 0.14610 182 20 H 1S 0.03102 0.04411 0.20516 -0.01764 0.00126 183 2S 0.00280 -0.14010 0.04745 0.08742 -0.23694 184 21 H 1S -0.00024 -0.07462 -0.29563 0.03221 0.00444 185 2S -0.02798 0.12662 -0.07924 -0.03840 0.21980 186 22 H 1S -0.00175 0.03761 -0.01599 -0.02333 -0.01864 187 2S -0.00276 0.13844 -0.07828 0.11753 -0.05925 188 23 H 1S 0.00179 -0.03760 0.01602 -0.02331 0.01801 189 2S 0.00281 -0.13854 0.07824 0.11729 0.06102 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25201 4.26810 4.36205 4.37019 1 1 C 1S -0.19079 -0.07298 0.14497 0.25521 0.11899 2 2S 1.22573 0.54229 -0.63306 -1.30522 -0.93280 3 2PX 0.05134 0.01525 -0.00530 -0.01085 -0.03721 4 2PY -0.07028 -0.06638 -0.00622 0.03803 -0.08641 5 2PZ -0.03559 -0.00415 0.04874 0.08628 0.03212 6 3S 0.47899 -0.12280 -0.41108 -1.23744 -0.32208 7 3PX -0.05718 0.27355 -0.01886 -0.02163 0.32903 8 3PY 0.03549 0.04779 0.18455 -0.09184 -0.03919 9 3PZ 0.00415 -0.29328 -0.16518 -0.24572 0.02250 10 4XX -0.77430 -0.32337 0.50631 0.99451 0.56358 11 4YY -0.68859 -0.27473 0.44668 0.86981 0.64411 12 4ZZ -0.76028 -0.32073 0.52656 0.97977 0.52348 13 4XY 0.01177 0.00346 -0.02674 -0.04968 -0.03243 14 4XZ 0.01705 0.06130 0.00863 -0.06508 -0.00616 15 4YZ 0.00486 -0.02023 -0.00708 -0.00422 -0.00775 16 2 C 1S -0.19178 -0.07322 0.14506 0.25633 -0.11693 17 2S 1.23453 0.54392 -0.63345 -1.31397 0.92274 18 2PX 0.05296 0.01542 -0.00530 -0.01112 0.03729 19 2PY 0.06922 0.06621 0.00614 -0.03742 -0.08672 20 2PZ -0.03610 -0.00415 0.04882 0.08660 -0.03172 21 3S 0.45565 -0.12379 -0.41210 -1.24104 0.31034 22 3PX -0.04660 0.27478 -0.01838 -0.01874 -0.32879 23 3PY -0.03997 -0.04756 -0.18505 0.09238 -0.03728 24 3PZ -0.00875 -0.29417 -0.16560 -0.24558 -0.02456 25 4XX -0.77905 -0.32439 0.50669 0.99992 -0.55567 26 4YY -0.69447 -0.27604 0.44694 0.87594 -0.63713 27 4ZZ -0.76465 -0.32159 0.52687 0.98469 -0.51574 28 4XY -0.01163 -0.00361 0.02668 0.05002 -0.03198 29 4XZ 0.01832 0.06150 0.00866 -0.06510 0.00571 30 4YZ -0.00499 0.02036 0.00685 0.00376 -0.00804 31 3 C 1S 0.06725 -0.05227 -0.40603 0.21147 0.00070 32 2S -0.25836 0.36796 2.24892 -1.34935 -0.00460 33 2PX -0.00838 -0.05105 -0.11174 0.04493 0.00008 34 2PY 0.00030 -0.00003 -0.00015 0.00007 0.00150 35 2PZ 0.00503 0.06337 0.10708 -0.04131 -0.00016 36 3S -0.67836 -0.51427 2.05239 -1.32807 -0.00490 37 3PX -0.13180 -0.20289 0.09276 0.02957 0.00022 38 3PY 0.00167 -0.00013 -0.00002 0.00085 -0.14474 39 3PZ 0.09216 0.13841 -0.02564 -0.04805 0.00005 40 4XX 0.21283 -0.22256 -1.53789 0.88445 0.00292 41 4YY 0.23202 -0.21093 -1.73876 0.98665 0.00346 42 4ZZ 0.22393 -0.24181 -1.56256 0.85046 0.00282 43 4XY -0.00020 -0.00004 -0.00004 0.00004 0.00712 44 4XZ 0.03894 0.03603 0.03275 -0.07873 -0.00029 45 4YZ 0.00050 0.00006 -0.00015 0.00018 -0.00642 46 4 O 1S -0.01716 -0.09691 0.06209 -0.11315 -0.05583 47 2S -0.03928 -0.20506 -0.03609 -0.09061 -0.03514 48 2PX 0.03481 0.00229 -0.04231 -0.04588 -0.02293 49 2PY 0.00291 0.02745 -0.05078 0.07952 0.03132 50 2PZ -0.03320 -0.00116 0.03419 0.01598 0.02052 51 3S 0.25305 1.47748 -0.67416 1.52106 0.69286 52 3PX 0.01715 0.14816 -0.04649 0.11375 -0.03987 53 3PY -0.10036 -0.36443 -0.07410 -0.10020 -0.06102 54 3PZ 0.02036 -0.05709 0.08275 0.00375 -0.01015 55 4XX 0.00121 -0.26605 0.16910 -0.43905 -0.23460 56 4YY -0.06550 -0.25349 0.41490 -0.46344 -0.19087 57 4ZZ -0.02906 -0.31323 0.17517 -0.43398 -0.20130 58 4XY -0.04865 -0.01881 0.14325 -0.02035 0.03230 59 4XZ -0.06775 -0.07554 -0.01342 0.13436 0.04421 60 4YZ 0.02779 -0.01131 -0.14847 0.02497 -0.02470 61 5 H 1S 0.09906 0.01258 -0.08136 -0.07060 -0.08967 62 2S -0.18497 -0.17293 0.01689 0.20749 0.13834 63 6 H 1S 0.09985 0.01262 -0.08133 -0.07124 0.08952 64 2S -0.18891 -0.17326 0.01658 0.20865 -0.13612 65 7 H 1S 0.00034 0.06928 0.08071 -0.02109 -0.00005 66 2S 0.12994 0.03795 -0.44936 0.33229 0.00094 67 8 O 1S -0.02079 -0.09710 0.06209 -0.11377 0.05469 68 2S -0.04475 -0.20547 -0.03614 -0.09117 0.03404 69 2PX 0.03414 0.00232 -0.04233 -0.04621 0.02246 70 2PY -0.00433 -0.02750 0.05064 -0.07993 0.03073 71 2PZ -0.03323 -0.00126 0.03430 0.01611 -0.02028 72 3S 0.30138 1.48037 -0.67402 1.52881 -0.67759 73 3PX 0.02510 0.14865 -0.04650 0.11350 0.04145 74 3PY 0.10802 0.36511 0.07392 0.10097 -0.05997 75 3PZ 0.01669 -0.05688 0.08287 0.00394 0.00955 76 4XX -0.00963 -0.26658 0.16917 -0.44150 0.23043 77 4YY -0.07678 -0.25406 0.41430 -0.46550 0.18656 78 4ZZ -0.04139 -0.31371 0.17560 -0.43638 0.19698 79 4XY 0.05021 0.01909 -0.14328 0.01983 0.03246 80 4XZ -0.06992 -0.07575 -0.01365 0.13483 -0.04324 81 4YZ -0.02862 0.01130 0.14899 -0.02469 -0.02485 82 9 H 1S 0.00426 0.05863 0.08717 -0.02327 0.00001 83 2S 0.07088 -0.04019 -0.42385 0.27725 0.00107 84 10 C 1S -0.19912 0.26111 -0.08435 -0.04465 -0.23407 85 2S 1.36210 -1.42433 0.52443 0.30534 1.44038 86 2PX 0.01088 -0.10545 0.01625 -0.01684 0.05115 87 2PY 0.05841 -0.05475 0.03028 -0.00736 -0.17057 88 2PZ 0.00883 0.06996 0.00820 0.04124 -0.00997 89 3S 0.35002 -1.13069 0.30710 -0.08121 0.43088 90 3PX 0.04547 0.24736 -0.00182 0.07827 0.22289 91 3PY -0.02360 0.03285 -0.08891 0.01353 0.12437 92 3PZ -0.07199 -0.16189 -0.04698 -0.08515 -0.35863 93 4XX -0.78792 1.01510 -0.31882 -0.14785 -0.89752 94 4YY -0.73524 0.88814 -0.30616 -0.15967 -1.13781 95 4ZZ -0.78876 1.02426 -0.33840 -0.17028 -0.89944 96 4XY -0.00331 0.02569 -0.00044 0.02800 -0.02927 97 4XZ 0.01771 -0.02808 0.01095 -0.00838 0.00789 98 4YZ -0.00157 -0.03128 -0.00867 -0.04183 -0.00265 99 11 C 1S -0.10983 -0.06736 -0.02815 -0.12626 -0.19475 100 2S 0.69398 0.34224 0.06347 0.55562 0.68206 101 2PX 0.05165 -0.09105 0.03148 0.00700 0.09420 102 2PY 0.04700 -0.05468 0.00653 -0.02397 -0.04412 103 2PZ -0.00576 0.10244 -0.00144 0.01746 -0.02713 104 3S 0.24293 0.50291 0.05762 0.67345 1.50185 105 3PX 0.03829 0.16192 -0.10862 -0.07526 0.07938 106 3PY 0.00846 0.15532 0.10771 0.09928 0.70567 107 3PZ -0.03854 -0.19911 0.06616 -0.13901 0.01808 108 4XX -0.38277 -0.31893 -0.05046 -0.39943 -0.61656 109 4YY -0.43423 -0.27920 -0.10407 -0.49239 -0.60861 110 4ZZ -0.33134 -0.22042 -0.01430 -0.40413 -0.55283 111 4XY 0.03507 -0.07474 -0.01682 -0.03160 0.05340 112 4XZ -0.07373 0.04731 -0.02942 0.03658 -0.13742 113 4YZ 0.00677 0.09570 0.01755 0.00647 -0.01192 114 12 C 1S -0.14559 -0.21548 -0.11488 -0.13118 -0.11932 115 2S 0.90834 1.08822 0.64776 0.60166 0.82050 116 2PX 0.00320 -0.01855 0.01043 0.04723 0.01381 117 2PY 0.02253 0.00010 0.01530 -0.01474 -0.03992 118 2PZ -0.01928 0.03377 0.03520 0.03751 0.02207 119 3S 0.48390 0.94646 0.35449 0.53388 -0.07878 120 3PX -0.01725 0.02332 -0.07127 -0.18493 -0.21953 121 3PY -0.06844 -0.06750 -0.01893 -0.02616 -0.13403 122 3PZ 0.08806 -0.04587 0.02073 -0.07595 0.30239 123 4XX -0.57837 -0.82295 -0.44212 -0.48207 -0.48392 124 4YY -0.50072 -0.70345 -0.39456 -0.42404 -0.56292 125 4ZZ -0.56914 -0.80127 -0.46415 -0.45354 -0.46934 126 4XY -0.00715 0.00232 0.00010 0.00637 -0.01885 127 4XZ -0.00249 -0.01459 0.01204 -0.01365 -0.02772 128 4YZ 0.01472 0.01452 0.00135 0.04825 0.03792 129 13 C 1S -0.14569 -0.21544 -0.11498 -0.13223 0.11898 130 2S 0.90768 1.08756 0.64886 0.60881 -0.81957 131 2PX 0.00357 -0.01853 0.01035 0.04729 -0.01330 132 2PY -0.02235 -0.00014 -0.01534 0.01505 -0.03969 133 2PZ -0.01955 0.03379 0.03520 0.03770 -0.02207 134 3S 0.49095 0.94684 0.35385 0.53352 0.07863 135 3PX -0.01740 0.02365 -0.07067 -0.18652 0.21744 136 3PY 0.06695 0.06715 0.01882 0.02722 -0.13357 137 3PZ 0.08388 -0.04627 0.02170 -0.07304 -0.30270 138 4XX -0.57879 -0.82274 -0.44259 -0.48639 0.48290 139 4YY -0.50051 -0.70314 -0.39514 -0.42884 0.56184 140 4ZZ -0.56874 -0.80091 -0.46477 -0.45771 0.46887 141 4XY 0.00703 -0.00236 -0.00013 -0.00624 -0.01886 142 4XZ -0.00303 -0.01463 0.01217 -0.01372 0.02748 143 4YZ -0.01479 -0.01436 -0.00116 -0.04852 0.03748 144 14 C 1S -0.10997 -0.06749 -0.02797 -0.12780 0.19291 145 2S 0.69812 0.34301 0.06210 0.56094 -0.67246 146 2PX 0.05116 -0.09097 0.03144 0.00752 -0.09423 147 2PY -0.04684 0.05441 -0.00648 0.02435 -0.04382 148 2PZ -0.00541 0.10235 -0.00140 0.01728 0.02711 149 3S 0.23250 0.50293 0.05760 0.68603 -1.49096 150 3PX 0.03960 0.16179 -0.10925 -0.07483 -0.08090 151 3PY -0.00156 -0.15469 -0.10842 -0.10519 0.70420 152 3PZ -0.04046 -0.19946 0.06667 -0.13901 -0.01762 153 4XX -0.38458 -0.31963 -0.04975 -0.40436 0.60971 154 4YY -0.43571 -0.27929 -0.10322 -0.49710 0.60164 155 4ZZ -0.33298 -0.22118 -0.01350 -0.40848 0.54586 156 4XY -0.03486 0.07455 0.01693 0.03120 0.05363 157 4XZ -0.07286 0.04759 -0.02935 0.03570 0.13802 158 4YZ -0.00697 -0.09557 -0.01791 -0.00661 -0.01165 159 15 C 1S -0.19897 0.26092 -0.08416 -0.04623 0.23405 160 2S 1.35799 -1.42321 0.52325 0.31507 -1.43992 161 2PX 0.01073 -0.10550 0.01628 -0.01652 -0.05147 162 2PY -0.05871 0.05463 -0.03044 0.00843 -0.17031 163 2PZ 0.00903 0.06994 0.00813 0.04116 0.01028 164 3S 0.36248 -1.12969 0.30604 -0.07978 -0.43393 165 3PX 0.04065 0.24742 -0.00203 0.08026 -0.22209 166 3PY 0.01800 -0.03240 0.09001 -0.01352 0.12324 167 3PZ -0.06810 -0.16151 -0.04683 -0.08807 0.35763 168 4XX -0.78633 1.01447 -0.31808 -0.15374 0.89796 169 4YY -0.73271 0.88714 -0.30529 -0.16752 1.13779 170 4ZZ -0.78761 1.02355 -0.33768 -0.17630 0.89952 171 4XY 0.00302 -0.02550 0.00040 -0.02781 -0.02996 172 4XZ 0.01704 -0.02815 0.01096 -0.00843 -0.00823 173 4YZ 0.00213 0.03095 0.00877 0.04188 -0.00176 174 16 H 1S 0.08716 -0.09953 0.02923 0.04011 0.06167 175 2S -0.18678 0.14618 -0.11999 -0.08946 -0.28268 176 17 H 1S 0.06187 0.03228 0.03195 0.04736 0.07645 177 2S -0.09473 -0.01843 0.01539 -0.11242 0.06856 178 18 H 1S 0.06243 0.06901 0.03393 0.02807 0.03721 179 2S -0.18262 -0.21815 -0.14878 -0.26664 -0.21489 180 19 H 1S 0.06147 0.06896 0.03415 0.02846 -0.03711 181 2S -0.18137 -0.21774 -0.14872 -0.26835 0.21323 182 20 H 1S 0.06192 0.03232 0.03186 0.04796 -0.07599 183 2S -0.09675 -0.01858 0.01577 -0.11159 -0.07005 184 21 H 1S 0.08720 -0.09944 0.02915 0.04051 -0.06145 185 2S -0.18474 0.14611 -0.11998 -0.09159 0.28225 186 22 H 1S 0.05434 0.05964 0.04207 0.05692 0.08194 187 2S -0.17713 -0.22842 -0.07689 -0.01492 -0.14828 188 23 H 1S 0.05464 0.05954 0.04202 0.05752 -0.08164 189 2S -0.17644 -0.22826 -0.07725 -0.01625 0.14899 186 187 188 189 V V V V Eigenvalues -- 4.44856 4.48935 4.64964 4.87450 1 1 C 1S 0.00676 0.17859 -0.24171 0.21151 2 2S 0.16345 -0.98294 0.91727 -0.15183 3 2PX 0.00794 -0.01937 -0.00526 0.08685 4 2PY 0.00318 -0.09665 0.10308 -0.04931 5 2PZ -0.01502 0.02670 -0.11066 0.04971 6 3S -0.34916 -1.01722 3.28400 -5.19328 7 3PX -0.09727 -0.41247 -0.36050 0.33753 8 3PY -0.12689 0.07923 -1.05998 1.23767 9 3PZ -0.04635 0.34444 0.93740 -1.67615 10 4XX -0.07418 0.72406 -0.85771 0.48358 11 4YY -0.01547 0.85144 -0.97538 0.67547 12 4ZZ -0.02009 0.68795 -0.84011 0.56788 13 4XY -0.01697 -0.02053 -0.00857 0.00879 14 4XZ -0.01730 -0.07025 -0.00948 0.01505 15 4YZ -0.00882 0.04310 -0.04823 0.04252 16 2 C 1S 0.00587 -0.17810 0.24153 -0.21122 17 2S 0.16712 0.98005 -0.91627 0.15214 18 2PX 0.00836 0.01937 0.00516 -0.08710 19 2PY -0.00357 -0.09664 0.10304 -0.04898 20 2PZ -0.01522 -0.02688 0.11084 -0.04977 21 3S -0.34260 1.01519 -3.28265 5.19037 22 3PX -0.09398 0.41292 0.36026 -0.33784 23 3PY 0.12835 0.07980 -1.05889 1.23391 24 3PZ -0.04707 -0.34421 -0.93990 1.67802 25 4XX -0.07726 -0.72183 0.85699 -0.48353 26 4YY -0.01927 -0.84982 0.97490 -0.67513 27 4ZZ -0.02313 -0.68589 0.83919 -0.56684 28 4XY 0.01690 -0.02078 -0.00861 0.00891 29 4XZ -0.01677 0.07020 0.00940 -0.01523 30 4YZ 0.00904 0.04262 -0.04790 0.04238 31 3 C 1S -0.08858 0.00012 -0.00016 -0.00005 32 2S 0.39731 -0.00069 0.00065 0.00006 33 2PX -0.04050 0.00002 -0.00006 -0.00009 34 2PY -0.00002 -0.01240 0.02390 -0.07387 35 2PZ -0.00768 0.00004 0.00007 -0.00010 36 3S 0.79267 -0.00152 0.00149 0.00043 37 3PX 0.21509 -0.00025 0.00031 0.00046 38 3PY -0.00008 -0.15137 0.07407 -0.10258 39 3PZ 0.06631 -0.00021 -0.00022 0.00032 40 4XX -0.33186 0.00050 -0.00060 -0.00008 41 4YY -0.33322 0.00052 -0.00069 -0.00013 42 4ZZ -0.31749 0.00045 -0.00050 -0.00024 43 4XY -0.00003 -0.01474 -0.01886 -0.00686 44 4XZ -0.00224 -0.00006 -0.00005 0.00001 45 4YZ 0.00003 -0.00055 0.02226 -0.04358 46 4 O 1S 0.02252 -0.02144 0.07053 -0.15851 47 2S 0.01434 0.04369 0.12994 -0.41031 48 2PX -0.00745 -0.03177 0.02760 -0.06400 49 2PY -0.01811 0.02833 -0.03197 0.06991 50 2PZ 0.01782 0.00971 -0.01488 0.00953 51 3S -0.30250 0.07821 -1.41486 3.01396 52 3PX 0.05642 -0.15160 -0.21149 0.68383 53 3PY 0.08113 0.00361 0.18122 -0.45713 54 3PZ -0.09154 0.14398 0.03815 -0.20550 55 4XX 0.09216 -0.15416 0.24704 -0.44251 56 4YY 0.09769 -0.07943 0.24831 -0.51709 57 4ZZ 0.06845 -0.10373 0.25769 -0.55318 58 4XY 0.02060 0.06389 -0.02889 -0.03261 59 4XZ -0.02538 0.09120 -0.09146 -0.00226 60 4YZ -0.01595 -0.05789 0.02231 -0.00452 61 5 H 1S 0.03116 0.03380 0.07905 0.01522 62 2S 0.07636 0.31730 0.14375 -0.19354 63 6 H 1S 0.03098 -0.03389 -0.07916 -0.01553 64 2S 0.07533 -0.31696 -0.14450 0.19396 65 7 H 1S -0.02601 0.00006 -0.00004 -0.00005 66 2S -0.23872 0.00042 -0.00013 -0.00043 67 8 O 1S 0.02224 0.02117 -0.07039 0.15859 68 2S 0.01358 -0.04399 -0.12983 0.41043 69 2PX -0.00747 0.03173 -0.02758 0.06404 70 2PY 0.01800 0.02821 -0.03200 0.06993 71 2PZ 0.01785 -0.00968 0.01485 -0.00944 72 3S -0.29845 -0.07445 1.41285 -3.01502 73 3PX 0.05759 0.15153 0.21123 -0.68370 74 3PY -0.08027 0.00456 0.18140 -0.45774 75 3PZ -0.09271 -0.14388 -0.03781 0.20484 76 4XX 0.09166 0.15299 -0.24655 0.44278 77 4YY 0.09675 0.07875 -0.24775 0.51744 78 4ZZ 0.06765 0.10268 -0.25717 0.55335 79 4XY -0.02017 0.06400 -0.02911 -0.03263 80 4XZ -0.02604 -0.09090 0.09137 0.00218 81 4YZ 0.01570 -0.05795 0.02230 -0.00443 82 9 H 1S 0.02024 0.00002 0.00001 0.00003 83 2S -0.02661 0.00009 -0.00015 0.00022 84 10 C 1S 0.04366 0.24195 -0.03734 -0.11030 85 2S -0.21671 -1.18923 0.29988 0.33684 86 2PX -0.09779 -0.08922 0.01809 0.05855 87 2PY -0.07983 0.11213 -0.02025 0.02668 88 2PZ 0.08320 0.06546 -0.01295 -0.07679 89 3S -0.60102 -2.23613 0.13770 3.99705 90 3PX 0.15536 0.42175 0.08816 -1.25082 91 3PY 0.05236 -0.47897 -0.09197 0.81291 92 3PZ -0.11903 -0.33634 -0.07169 1.24815 93 4XX 0.22208 0.88135 -0.17558 -0.40044 94 4YY 0.18786 1.09582 -0.25482 -0.47369 95 4ZZ 0.22781 0.90264 -0.16763 -0.40668 96 4XY 0.10539 0.05568 -0.05216 -0.12980 97 4XZ -0.07630 -0.02417 0.04110 0.07568 98 4YZ -0.07656 -0.05236 -0.00138 0.11047 99 11 C 1S -0.30986 -0.01712 0.06294 0.39734 100 2S 1.68079 0.20571 -0.63360 -0.87016 101 2PX -0.01720 -0.06181 0.02313 -0.03954 102 2PY -0.09749 -0.04315 0.02355 0.23832 103 2PZ 0.00173 0.06094 -0.02857 -0.00257 104 3S 2.08212 0.17737 -0.58065 -5.57587 105 3PX -0.10502 0.23122 -0.07537 0.02294 106 3PY 0.20600 0.16608 -0.01737 -2.17213 107 3PZ 0.09638 -0.15284 -0.18191 -0.16826 108 4XX -1.20438 -0.20504 0.35077 1.24907 109 4YY -1.18828 -0.11027 0.29586 1.23902 110 4ZZ -1.30293 -0.05841 0.44186 1.26382 111 4XY -0.03541 -0.04979 -0.04072 0.05461 112 4XZ 0.10843 0.04950 -0.03879 -0.08137 113 4YZ -0.01108 0.09005 0.02040 -0.02984 114 12 C 1S 0.16803 -0.21083 -0.29778 -0.02110 115 2S -0.86816 1.00908 1.24023 0.07140 116 2PX 0.01010 -0.02441 0.02136 -0.03688 117 2PY -0.02340 -0.03248 -0.02931 0.01347 118 2PZ -0.07707 0.03364 0.10507 -0.09477 119 3S -1.27473 1.69529 2.92480 2.19423 120 3PX -0.00759 0.11081 -0.25108 0.70054 121 3PY 0.12494 0.16512 0.46027 0.13090 122 3PZ 0.23290 -0.09218 -0.38930 -0.65236 123 4XX 0.64233 -0.75735 -1.00177 -0.04258 124 4YY 0.57668 -0.86765 -1.18676 -0.08423 125 4ZZ 0.75222 -0.74243 -1.07390 -0.10659 126 4XY -0.02888 0.02902 0.00101 0.03459 127 4XZ -0.05168 -0.00075 0.01514 0.05019 128 4YZ 0.09783 -0.01080 -0.07548 -0.09369 129 13 C 1S 0.16786 0.21023 0.29801 0.02099 130 2S -0.86669 -1.00618 -1.24126 -0.07119 131 2PX 0.01017 0.02447 -0.02144 0.03677 132 2PY 0.02363 -0.03247 -0.02916 0.01341 133 2PZ -0.07687 -0.03350 -0.10527 0.09493 134 3S -1.27614 -1.68997 -2.92649 -2.19362 135 3PX -0.00849 -0.11126 0.25122 -0.69925 136 3PY -0.12549 0.16562 0.45965 0.12894 137 3PZ 0.23347 0.09152 0.39031 0.65246 138 4XX 0.64144 0.75502 1.00264 0.04222 139 4YY 0.57601 0.86572 1.18773 0.08410 140 4ZZ 0.75126 0.73981 1.07471 0.10603 141 4XY 0.02907 0.02884 0.00096 0.03446 142 4XZ -0.05147 0.00100 -0.01520 -0.05011 143 4YZ -0.09821 -0.01026 -0.07548 -0.09363 144 14 C 1S -0.31056 0.01822 -0.06362 -0.39726 145 2S 1.68184 -0.21201 0.63722 0.86871 146 2PX -0.01677 0.06182 -0.02294 0.03899 147 2PY 0.09738 -0.04336 0.02361 0.23814 148 2PZ 0.00159 -0.06097 0.02885 0.00259 149 3S 2.08712 -0.18501 0.58473 5.57600 150 3PX -0.10587 -0.23120 0.07582 -0.02151 151 3PY -0.20726 0.16637 -0.01728 -2.17102 152 3PZ 0.09618 0.15203 0.18148 0.16524 153 4XX -1.20585 0.20985 -0.35361 -1.24786 154 4YY -1.19013 0.11428 -0.29856 -1.23866 155 4ZZ -1.30441 0.06331 -0.44453 -1.26317 156 4XY 0.03509 -0.04980 -0.04076 0.05439 157 4XZ 0.10773 -0.05005 0.03862 0.08167 158 4YZ 0.01176 0.09012 0.02075 -0.02977 159 15 C 1S 0.04197 -0.24241 0.03738 0.11015 160 2S -0.20781 1.19129 -0.30005 -0.33633 161 2PX -0.09739 0.08965 -0.01821 -0.05847 162 2PY 0.08058 0.11205 -0.02017 0.02645 163 2PZ 0.08299 -0.06561 0.01304 0.07654 164 3S -0.59020 2.23928 -0.13936 -3.99502 165 3PX 0.15445 -0.42234 -0.08778 1.25004 166 3PY -0.05480 -0.47997 -0.09273 0.81610 167 3PZ -0.11861 0.33623 0.07154 -1.24561 168 4XX 0.21624 -0.88330 0.17586 0.40005 169 4YY 0.17943 -1.09723 0.25487 0.47255 170 4ZZ 0.22166 -0.90469 0.16804 0.40649 171 4XY -0.10484 0.05623 -0.05235 -0.12983 172 4XZ -0.07650 0.02462 -0.04134 -0.07593 173 4YZ 0.07617 -0.05291 -0.00115 0.11043 174 16 H 1S 0.00513 -0.07278 0.00567 0.04275 175 2S 0.02461 0.06603 -0.11374 0.30482 176 17 H 1S 0.05468 0.03336 -0.00479 -0.08324 177 2S -0.29974 0.04657 0.07234 -0.13465 178 18 H 1S -0.01873 0.00393 -0.06362 -0.04799 179 2S 0.21794 -0.17562 -0.41145 0.18228 180 19 H 1S -0.01865 -0.00392 0.06360 0.04790 181 2S 0.21737 0.17439 0.41176 -0.18154 182 20 H 1S 0.05469 -0.03362 0.00484 0.08317 183 2S -0.30014 -0.04537 -0.07340 0.13388 184 21 H 1S 0.00561 0.07295 -0.00559 -0.04265 185 2S 0.02358 -0.06624 0.11401 -0.30465 186 22 H 1S -0.01399 -0.00434 0.00313 -0.14579 187 2S 0.13776 -0.27362 -0.14864 -0.16927 188 23 H 1S -0.01377 0.00442 -0.00312 0.14582 189 2S 0.13811 0.27327 0.14870 0.16916 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.06338 0.33286 3 2PX -0.01204 0.01863 0.34619 4 2PY 0.00503 -0.01298 0.04012 0.43072 5 2PZ 0.01510 -0.02720 0.02229 -0.02888 0.37876 6 3S -0.17209 0.27255 0.09845 0.01745 -0.02407 7 3PX -0.01880 0.03669 0.16689 0.03754 0.08372 8 3PY 0.00734 -0.00392 0.05098 0.12295 0.01634 9 3PZ 0.00253 -0.01643 0.08140 0.01235 0.16312 10 4XX -0.01177 -0.01308 -0.01164 0.00699 0.01133 11 4YY -0.01725 -0.00101 0.00625 -0.01259 -0.00559 12 4ZZ -0.01570 -0.00411 0.00182 0.01309 -0.00482 13 4XY -0.00020 0.00034 0.00111 -0.00496 -0.01132 14 4XZ 0.00344 -0.00808 0.01111 -0.00915 -0.00705 15 4YZ 0.00424 -0.00860 -0.01261 -0.00773 0.00936 16 2 C 1S 0.01947 -0.04084 -0.01337 0.08017 -0.01078 17 2S -0.04084 0.07591 0.02558 -0.16587 0.01958 18 2PX -0.01346 0.02576 0.16094 0.01930 0.09936 19 2PY -0.08011 0.16574 -0.01960 -0.32465 -0.03430 20 2PZ -0.01101 0.02004 0.09939 0.03343 0.11879 21 3S 0.00180 0.02807 0.06612 -0.12958 0.07381 22 3PX -0.00347 0.00374 0.09439 0.01932 0.05074 23 3PY -0.00102 0.01879 -0.02438 -0.10076 -0.02200 24 3PZ -0.00663 0.01824 0.06396 0.03837 0.08169 25 4XX 0.00324 -0.00759 0.00050 0.01313 -0.00038 26 4YY -0.00653 0.01193 -0.00093 -0.00798 0.00072 27 4ZZ 0.00346 -0.00794 -0.00232 0.01007 -0.00375 28 4XY -0.00007 0.00038 0.01259 0.00562 0.00420 29 4XZ -0.00133 0.00307 0.00018 -0.00448 0.00034 30 4YZ 0.00080 -0.00168 0.00512 -0.00042 0.01435 31 3 C 1S -0.00315 0.00630 -0.00914 -0.01014 0.00380 32 2S 0.00671 -0.01755 0.02192 0.03220 -0.01018 33 2PX 0.01114 -0.02806 0.02081 0.01618 -0.02269 34 2PY 0.00218 -0.00476 0.03536 -0.02084 -0.03818 35 2PZ -0.00866 0.02119 -0.03427 -0.02131 0.00265 36 3S 0.00987 -0.01224 0.04433 0.05398 -0.00795 37 3PX 0.00779 -0.01318 0.01209 0.01702 -0.01127 38 3PY 0.00140 -0.00394 0.03160 -0.00039 -0.03293 39 3PZ -0.00625 0.01178 -0.03278 -0.02175 -0.00874 40 4XX -0.00162 0.00400 -0.00735 0.00166 0.00610 41 4YY 0.00217 -0.00464 0.00888 -0.00517 -0.00719 42 4ZZ -0.00094 0.00176 -0.00478 0.00206 0.00340 43 4XY -0.00103 0.00239 -0.00016 -0.00067 0.00422 44 4XZ 0.00004 -0.00046 0.00443 0.00026 -0.00260 45 4YZ 0.00000 0.00011 0.00420 0.00249 0.00144 46 4 O 1S 0.00536 -0.00686 0.02953 -0.00838 -0.02341 47 2S -0.00987 0.01072 -0.06593 0.03087 0.05397 48 2PX -0.05682 0.12358 -0.16704 0.10806 0.18564 49 2PY 0.02543 -0.05155 0.09841 -0.03158 -0.06623 50 2PZ 0.03477 -0.06521 0.17837 -0.07002 -0.08088 51 3S 0.01406 -0.02644 -0.06860 -0.04045 0.04688 52 3PX -0.02657 0.06224 -0.10161 0.05720 0.09091 53 3PY 0.01944 -0.03874 0.07136 -0.02498 -0.04911 54 3PZ 0.01513 -0.02658 0.08269 -0.04070 -0.05671 55 4XX -0.00369 0.00605 0.00641 0.00822 0.00739 56 4YY -0.00126 0.00119 -0.00463 0.00050 0.00289 57 4ZZ -0.00090 0.00061 -0.00147 0.00487 -0.00968 58 4XY 0.00463 -0.00906 0.00889 0.00341 -0.01055 59 4XZ 0.00490 -0.00780 0.00432 -0.00310 0.00126 60 4YZ -0.00277 0.00504 -0.01129 -0.00411 0.00185 61 5 H 1S -0.06819 0.13564 0.06555 0.16935 -0.19070 62 2S -0.02048 0.04650 0.03945 0.13855 -0.15448 63 6 H 1S 0.01654 -0.03649 -0.00830 0.04033 0.00086 64 2S 0.02041 -0.04065 -0.02369 0.06423 0.00822 65 7 H 1S -0.00290 0.00541 -0.00914 0.00536 0.00814 66 2S -0.00329 0.00507 0.00170 0.00256 0.02481 67 8 O 1S -0.00177 0.00495 -0.00446 -0.00163 0.00858 68 2S 0.00716 -0.01548 0.01397 0.01729 -0.01588 69 2PX 0.01258 -0.02731 -0.07079 0.03235 -0.04707 70 2PY 0.02271 -0.05457 0.02761 0.05841 -0.01336 71 2PZ 0.00204 -0.00200 -0.04872 -0.05113 -0.05775 72 3S -0.00338 -0.00398 0.01645 -0.03053 -0.06698 73 3PX 0.00942 -0.02049 -0.05946 0.01732 -0.04759 74 3PY 0.01409 -0.03727 0.01918 0.04002 -0.01428 75 3PZ 0.00239 -0.00396 -0.04775 -0.04105 -0.05151 76 4XX 0.00027 0.00014 0.00368 0.00415 0.00503 77 4YY 0.00139 -0.00233 0.00091 0.00258 0.00126 78 4ZZ 0.00102 -0.00121 -0.00256 0.00251 -0.00056 79 4XY -0.00070 0.00154 -0.00303 -0.00608 -0.00086 80 4XZ 0.00006 -0.00019 0.00117 0.00135 -0.00027 81 4YZ 0.00092 -0.00213 0.00170 0.00473 -0.00039 82 9 H 1S -0.00480 0.01264 -0.02128 0.00578 0.01275 83 2S -0.00435 0.01308 -0.04177 -0.00555 0.00475 84 10 C 1S -0.00069 0.00058 0.00297 -0.00009 0.00129 85 2S 0.00138 -0.00174 -0.00822 -0.00136 -0.00392 86 2PX -0.01091 0.02275 0.07775 0.01157 0.05900 87 2PY 0.00262 -0.00401 -0.01576 -0.00429 -0.01021 88 2PZ -0.00738 0.01701 0.05620 0.01171 0.04319 89 3S 0.00206 0.00406 -0.03483 -0.00098 -0.02173 90 3PX -0.00808 0.01434 0.07588 0.01100 0.05756 91 3PY 0.00240 -0.00314 -0.02108 0.00156 -0.01039 92 3PZ -0.00514 0.01323 0.03839 0.01322 0.03306 93 4XX -0.00017 0.00011 0.00104 0.00105 0.00012 94 4YY -0.00007 0.00011 -0.00086 -0.00089 -0.00024 95 4ZZ -0.00009 0.00011 -0.00078 -0.00044 -0.00055 96 4XY -0.00015 0.00041 0.00033 0.00083 -0.00061 97 4XZ -0.00014 0.00022 0.00094 -0.00027 0.00048 98 4YZ -0.00012 0.00031 0.00042 0.00109 -0.00030 99 11 C 1S -0.00096 0.00309 0.00601 -0.00166 0.00541 100 2S 0.00324 -0.00397 -0.01967 0.00256 -0.01604 101 2PX -0.00344 0.00798 0.00550 -0.02185 0.01138 102 2PY 0.00440 -0.00649 -0.00668 0.01609 -0.00644 103 2PZ -0.00065 0.00420 0.00166 -0.01215 0.00571 104 3S -0.00041 -0.00630 0.01557 0.00891 0.00403 105 3PX -0.00316 0.00578 0.01636 -0.01836 0.02231 106 3PY -0.00096 -0.00158 0.02120 0.00080 0.01478 107 3PZ -0.00133 0.00432 0.00018 -0.01977 -0.00083 108 4XX -0.00050 0.00122 0.00641 0.00217 0.00550 109 4YY -0.00011 0.00040 -0.00097 -0.00126 -0.00060 110 4ZZ 0.00057 -0.00090 -0.00319 -0.00002 -0.00255 111 4XY 0.00027 -0.00041 -0.00142 0.00057 -0.00099 112 4XZ -0.00026 0.00034 0.00301 0.00108 0.00227 113 4YZ 0.00015 -0.00011 -0.00054 0.00046 -0.00052 114 12 C 1S -0.00135 0.00251 0.00748 0.00026 0.00675 115 2S 0.00331 -0.00447 -0.01642 -0.00223 -0.01382 116 2PX -0.00010 0.00035 -0.00553 -0.00294 -0.00339 117 2PY 0.00132 -0.00183 -0.00839 -0.00296 -0.00673 118 2PZ -0.00447 0.00621 0.02312 -0.00044 0.01776 119 3S 0.00485 -0.00902 -0.04182 0.00880 -0.03602 120 3PX 0.00199 -0.00102 -0.01621 -0.00246 -0.00598 121 3PY -0.00085 0.00100 -0.00753 -0.00147 -0.01048 122 3PZ -0.00127 0.00195 0.01809 -0.00010 0.01471 123 4XX -0.00017 0.00043 0.00142 -0.00011 0.00136 124 4YY 0.00005 -0.00014 -0.00112 -0.00097 -0.00090 125 4ZZ 0.00010 -0.00004 0.00045 0.00111 0.00048 126 4XY 0.00010 0.00004 0.00026 0.00047 0.00017 127 4XZ -0.00018 0.00024 0.00165 0.00062 0.00135 128 4YZ 0.00019 0.00007 -0.00050 -0.00022 -0.00023 129 13 C 1S -0.00160 0.00232 0.00602 0.00137 0.00522 130 2S 0.00237 -0.00725 -0.01601 -0.00410 -0.01808 131 2PX -0.00276 0.00839 0.01448 0.00284 0.01388 132 2PY -0.00037 -0.00113 0.00146 0.00184 -0.00171 133 2PZ -0.00220 0.01169 0.01973 0.00128 0.01867 134 3S 0.00257 -0.00752 -0.01143 0.00181 -0.00098 135 3PX -0.00447 0.00431 0.01163 0.00524 -0.00417 136 3PY -0.00153 -0.00069 -0.00820 0.00236 -0.00976 137 3PZ -0.00311 0.00601 0.00177 -0.00101 0.00685 138 4XX -0.00041 0.00046 -0.00105 0.00006 -0.00134 139 4YY 0.00002 -0.00044 -0.00241 -0.00090 -0.00246 140 4ZZ -0.00071 0.00039 0.00459 0.00118 0.00366 141 4XY -0.00011 0.00043 0.00025 -0.00006 0.00017 142 4XZ -0.00081 0.00162 0.00572 0.00109 0.00603 143 4YZ -0.00005 0.00026 0.00064 0.00023 0.00063 144 14 C 1S -0.00194 0.00084 -0.00441 0.00057 -0.00773 145 2S 0.00260 -0.01173 0.00258 -0.00516 0.01093 146 2PX 0.00847 -0.01034 -0.10014 -0.02517 -0.08814 147 2PY 0.00429 -0.00290 -0.03476 -0.01768 -0.02312 148 2PZ 0.00247 -0.00678 -0.05658 -0.00961 -0.05948 149 3S 0.00478 0.00191 0.00887 0.00287 0.03444 150 3PX -0.00166 0.00229 -0.06588 -0.01537 -0.06237 151 3PY 0.00192 -0.00688 -0.01526 -0.00266 -0.01964 152 3PZ 0.00398 -0.00726 -0.05403 -0.01961 -0.05023 153 4XX -0.00149 0.00265 0.00497 0.00347 0.00292 154 4YY 0.00012 -0.00135 -0.00229 -0.00230 -0.00079 155 4ZZ -0.00031 -0.00051 -0.00005 0.00012 -0.00139 156 4XY -0.00016 0.00064 0.00256 -0.00041 0.00185 157 4XZ -0.00082 0.00234 0.00542 0.00262 0.00200 158 4YZ -0.00007 0.00042 0.00118 -0.00042 0.00099 159 15 C 1S -0.00178 0.00265 0.00504 0.00169 0.00224 160 2S 0.00269 -0.00452 -0.01913 -0.00504 -0.00608 161 2PX -0.00921 0.02102 0.03140 0.01828 0.00586 162 2PY -0.00007 -0.00007 0.00231 0.00154 0.00214 163 2PZ -0.00380 0.01060 0.00563 0.01160 -0.00872 164 3S 0.00663 -0.01531 0.01122 -0.00908 -0.00475 165 3PX -0.00953 0.02246 0.02176 0.01858 0.01013 166 3PY 0.00149 -0.00029 -0.01368 -0.00232 -0.00716 167 3PZ -0.00354 0.00662 0.02089 0.01561 0.00055 168 4XX -0.00071 0.00088 0.00528 0.00106 0.00439 169 4YY 0.00004 -0.00016 -0.00263 -0.00085 -0.00130 170 4ZZ -0.00029 0.00024 -0.00291 -0.00015 -0.00244 171 4XY 0.00017 -0.00054 -0.00296 -0.00044 -0.00267 172 4XZ -0.00039 0.00088 0.00048 0.00018 -0.00039 173 4YZ 0.00067 -0.00094 -0.00435 -0.00114 -0.00362 174 16 H 1S -0.00005 -0.00019 -0.00043 0.00075 -0.00028 175 2S 0.00057 -0.00102 -0.00603 0.00443 -0.00381 176 17 H 1S -0.00153 0.00204 -0.00478 -0.00967 -0.00401 177 2S -0.00260 0.00374 0.00461 -0.01639 0.00634 178 18 H 1S 0.00009 0.00016 0.00262 0.00031 0.00230 179 2S -0.00156 0.00335 -0.00531 -0.00815 -0.00191 180 19 H 1S 0.00211 -0.00547 -0.01756 -0.00281 -0.01901 181 2S 0.00286 -0.00626 -0.01626 -0.00550 -0.03802 182 20 H 1S 0.00409 -0.00635 -0.01728 -0.01448 -0.00487 183 2S 0.00293 -0.00298 -0.02259 -0.01735 -0.01181 184 21 H 1S -0.00016 -0.00040 0.00504 0.00069 0.00681 185 2S -0.00151 0.00010 0.01513 0.00607 0.00953 186 22 H 1S -0.00125 0.00105 0.00605 0.00206 0.00384 187 2S -0.00321 0.00343 0.02197 0.00737 0.01341 188 23 H 1S -0.00263 0.00806 0.02531 0.00455 0.02412 189 2S -0.00283 0.01143 0.05157 0.00979 0.05074 6 7 8 9 10 6 3S 0.30259 7 3PX 0.06520 0.10752 8 3PY -0.00104 0.03275 0.05312 9 3PZ 0.01257 0.06589 0.02377 0.09319 10 4XX -0.01111 -0.00269 0.00135 0.00336 0.00284 11 4YY 0.00000 -0.00019 -0.00171 -0.00081 -0.00081 12 4ZZ -0.00314 0.00074 0.00225 -0.00239 -0.00057 13 4XY 0.00069 -0.00125 -0.00301 -0.00445 -0.00067 14 4XZ -0.00260 0.00148 -0.00128 0.00018 -0.00036 15 4YZ -0.01358 -0.00465 -0.00214 0.00057 0.00059 16 2 C 1S 0.00179 -0.00341 0.00108 -0.00660 0.00325 17 2S 0.02807 0.00362 -0.01891 0.01813 -0.00760 18 2PX 0.06639 0.09438 0.02429 0.06392 0.00047 19 2PY 0.12932 -0.01950 -0.10081 -0.03864 -0.01313 20 2PZ 0.07429 0.05078 0.02175 0.08159 -0.00042 21 3S -0.02100 0.03368 0.01274 0.04407 -0.00418 22 3PX 0.03386 0.04460 0.01941 0.04239 0.00001 23 3PY -0.01294 -0.01946 -0.02619 -0.02100 -0.00386 24 3PZ 0.04423 0.04242 0.02096 0.04846 0.00090 25 4XX -0.00418 0.00004 0.00387 0.00091 0.00057 26 4YY 0.01065 0.00132 -0.00340 -0.00133 -0.00034 27 4ZZ -0.00858 -0.00230 0.00224 -0.00160 0.00024 28 4XY 0.00614 0.00720 0.00241 0.00480 -0.00016 29 4XZ 0.00379 0.00086 -0.00203 -0.00144 0.00000 30 4YZ -0.00370 0.00559 0.00308 0.00722 0.00047 31 3 C 1S 0.00668 -0.00601 -0.00710 0.00103 -0.00035 32 2S -0.01114 0.01086 0.01567 0.00198 0.00108 33 2PX -0.04029 0.01477 0.00228 -0.01112 0.00362 34 2PY 0.01435 0.02865 -0.02778 -0.02416 -0.00023 35 2PZ 0.03384 -0.02617 -0.00362 -0.00502 -0.00250 36 3S 0.00701 0.01790 0.02482 0.01203 -0.00051 37 3PX -0.01714 0.00545 0.00313 -0.00395 -0.00005 38 3PY 0.00616 0.00962 -0.00231 -0.00878 -0.00246 39 3PZ 0.00195 -0.02104 -0.01080 -0.01368 -0.00320 40 4XX 0.00033 -0.00299 -0.00047 0.00146 -0.00073 41 4YY -0.00421 0.00355 -0.00211 -0.00333 -0.00023 42 4ZZ 0.00360 -0.00141 0.00190 0.00199 0.00112 43 4XY 0.00110 0.00345 -0.00191 -0.00079 -0.00018 44 4XZ 0.00244 0.00084 0.00049 -0.00028 -0.00044 45 4YZ -0.00006 0.00062 0.00298 0.00240 -0.00103 46 4 O 1S 0.03366 -0.00188 -0.00926 0.00879 -0.00408 47 2S -0.08566 0.00923 0.02009 -0.02158 0.01019 48 2PX 0.03607 -0.02847 0.01426 0.03346 -0.00965 49 2PY -0.06374 -0.00560 0.04339 -0.00072 -0.01244 50 2PZ -0.07378 0.06530 -0.02434 -0.03143 -0.02968 51 3S -0.14506 0.00218 0.00576 -0.03617 0.00916 52 3PX 0.00385 -0.02100 0.00215 0.00675 -0.00837 53 3PY -0.04529 -0.00215 0.02758 -0.00138 -0.00825 54 3PZ -0.04403 0.02603 -0.01816 -0.02931 -0.02043 55 4XX 0.00708 0.00484 0.00342 0.00474 -0.00053 56 4YY 0.00254 0.00000 -0.00237 0.00048 0.00073 57 4ZZ 0.00268 -0.00310 0.00096 -0.00347 -0.00005 58 4XY -0.00459 0.00132 0.00224 -0.00177 0.00044 59 4XZ -0.00513 0.00090 -0.00065 0.00174 -0.00015 60 4YZ 0.00391 -0.00492 -0.00177 -0.00035 0.00104 61 5 H 1S 0.13824 0.01459 0.04029 -0.06419 -0.01031 62 2S 0.05308 -0.00290 0.02946 -0.05325 -0.00711 63 6 H 1S -0.06700 0.00165 0.02500 0.00191 0.00286 64 2S -0.06605 -0.00134 0.02217 -0.00045 0.00383 65 7 H 1S 0.02078 -0.00568 0.00940 0.00564 0.00242 66 2S 0.03062 0.00488 0.01304 0.01767 0.00650 67 8 O 1S -0.01913 0.00040 0.00867 0.00034 0.00017 68 2S 0.03956 0.00017 -0.01383 0.00415 -0.00013 69 2PX -0.05191 -0.06280 -0.00295 -0.01587 -0.00181 70 2PY -0.11867 -0.01215 0.07011 0.02574 -0.00128 71 2PZ -0.02272 -0.04587 -0.04200 -0.04487 -0.00149 72 3S 0.06993 -0.00818 -0.04761 -0.02589 -0.00334 73 3PX -0.04016 -0.05126 -0.00650 -0.02005 -0.00099 74 3PY -0.07833 -0.00936 0.04597 0.01470 -0.00137 75 3PZ -0.02374 -0.03968 -0.03256 -0.03816 -0.00131 76 4XX 0.00130 0.00203 0.00205 0.00335 -0.00005 77 4YY -0.00668 0.00010 0.00370 0.00190 0.00012 78 4ZZ -0.00190 -0.00056 0.00107 -0.00081 0.00028 79 4XY -0.00119 -0.00307 -0.00153 -0.00019 -0.00034 80 4XZ 0.00024 0.00084 -0.00009 -0.00043 0.00007 81 4YZ -0.00089 0.00049 0.00056 -0.00012 0.00012 82 9 H 1S 0.00896 -0.01227 0.00073 0.00419 -0.00346 83 2S -0.00502 -0.02406 -0.00975 -0.00720 -0.00561 84 10 C 1S 0.00391 0.00129 -0.00151 0.00188 -0.00022 85 2S -0.00679 -0.00640 0.00182 -0.00094 0.00029 86 2PX 0.05266 0.05979 0.02880 0.04676 -0.00078 87 2PY -0.01296 -0.01204 -0.00193 -0.01429 0.00019 88 2PZ 0.03698 0.03995 0.02412 0.04457 0.00000 89 3S -0.01668 -0.01867 0.00033 -0.02361 -0.00099 90 3PX 0.04063 0.05278 0.02547 0.04977 0.00034 91 3PY -0.01632 -0.01488 0.00058 -0.01442 -0.00038 92 3PZ 0.02608 0.03141 0.01789 0.02773 0.00045 93 4XX 0.00024 -0.00002 0.00019 -0.00002 -0.00005 94 4YY 0.00067 -0.00029 -0.00078 -0.00031 0.00003 95 4ZZ -0.00088 -0.00003 0.00009 -0.00039 -0.00002 96 4XY 0.00199 -0.00069 0.00034 0.00058 -0.00023 97 4XZ 0.00100 0.00051 -0.00015 0.00056 -0.00002 98 4YZ 0.00083 -0.00006 0.00064 -0.00063 -0.00018 99 11 C 1S -0.00391 0.00524 0.00344 0.00094 -0.00015 100 2S -0.01546 -0.01579 -0.00095 -0.01382 0.00009 101 2PX 0.01236 0.01442 -0.00305 0.02188 0.00101 102 2PY -0.04100 -0.00809 0.01498 -0.00939 0.00028 103 2PZ -0.01993 0.01698 0.01065 -0.00460 0.00082 104 3S -0.00132 0.00106 0.00792 0.00823 0.00048 105 3PX 0.00668 0.01951 0.00138 0.02252 0.00096 106 3PY -0.00009 0.01031 0.00610 0.01126 0.00073 107 3PZ -0.00729 0.00994 -0.00097 -0.00260 0.00043 108 4XX 0.00314 0.00456 0.00246 0.00447 0.00002 109 4YY 0.00159 -0.00070 -0.00134 -0.00045 -0.00003 110 4ZZ -0.00306 -0.00203 -0.00063 -0.00255 -0.00003 111 4XY -0.00029 -0.00087 0.00000 -0.00032 0.00001 112 4XZ 0.00172 0.00155 0.00054 0.00176 0.00002 113 4YZ -0.00054 -0.00013 0.00041 -0.00045 -0.00004 114 12 C 1S 0.00525 0.00500 0.00097 0.00472 0.00003 115 2S -0.02181 -0.00780 0.00161 -0.01514 0.00002 116 2PX 0.00049 -0.01194 -0.00918 -0.00207 0.00010 117 2PY -0.00389 -0.01245 -0.00416 -0.00051 -0.00020 118 2PZ 0.04387 0.01013 -0.00925 0.02301 -0.00037 119 3S -0.04196 -0.02832 0.00538 -0.03129 -0.00109 120 3PX -0.00320 -0.01260 -0.00701 -0.00618 0.00048 121 3PY -0.00217 -0.00970 -0.00077 -0.00396 -0.00025 122 3PZ 0.02031 0.00939 -0.00151 0.01526 -0.00021 123 4XX 0.00139 0.00147 0.00037 0.00129 0.00000 124 4YY 0.00026 -0.00079 -0.00090 -0.00035 0.00006 125 4ZZ -0.00033 -0.00013 0.00036 -0.00008 0.00003 126 4XY -0.00040 0.00082 0.00056 -0.00005 -0.00005 127 4XZ 0.00188 0.00007 -0.00044 0.00093 -0.00004 128 4YZ -0.00163 0.00037 0.00061 -0.00080 -0.00002 129 13 C 1S 0.00608 0.00471 0.00098 0.00665 -0.00063 130 2S -0.00127 -0.01727 -0.01047 -0.00699 0.00056 131 2PX 0.00168 0.02394 0.00751 0.00778 -0.00092 132 2PY 0.00818 0.00040 -0.00135 0.00014 -0.00003 133 2PZ -0.01867 0.03179 0.02069 0.00121 -0.00036 134 3S 0.00812 -0.00621 -0.01295 0.00611 0.00265 135 3PX 0.00074 0.01150 0.00525 0.00037 -0.00163 136 3PY 0.00025 -0.00630 -0.00021 -0.00480 0.00103 137 3PZ -0.00597 0.01040 0.00828 -0.00123 0.00221 138 4XX 0.00010 -0.00074 0.00012 -0.00114 -0.00015 139 4YY -0.00193 -0.00187 -0.00015 -0.00175 -0.00006 140 4ZZ 0.00176 0.00343 0.00075 0.00268 0.00024 141 4XY 0.00004 0.00085 0.00052 0.00002 -0.00009 142 4XZ 0.00101 0.00534 0.00189 0.00365 0.00014 143 4YZ -0.00124 0.00131 0.00081 -0.00022 0.00005 144 14 C 1S 0.01939 0.00116 -0.00042 0.00289 -0.00167 145 2S -0.00899 -0.00240 -0.00593 0.00279 0.00291 146 2PX -0.03372 -0.06897 -0.01875 -0.07184 -0.00639 147 2PY -0.03762 -0.02647 0.00972 -0.01843 -0.00237 148 2PZ 0.01767 -0.05832 -0.01999 -0.02540 -0.00507 149 3S 0.00636 0.01134 0.00141 0.01278 0.00713 150 3PX -0.00805 -0.04884 -0.01359 -0.04693 -0.00462 151 3PY -0.01668 -0.01406 -0.00004 -0.01042 -0.00313 152 3PZ -0.00662 -0.04814 -0.01788 -0.03214 -0.00458 153 4XX 0.00473 0.00308 0.00193 0.00248 -0.00044 154 4YY -0.00365 -0.00184 0.00001 -0.00113 0.00003 155 4ZZ -0.00023 0.00015 -0.00089 -0.00027 0.00011 156 4XY 0.00143 0.00135 -0.00004 0.00168 -0.00002 157 4XZ 0.00286 0.00370 0.00204 0.00205 -0.00022 158 4YZ -0.00039 0.00132 0.00012 0.00000 0.00008 159 15 C 1S 0.00363 0.00660 0.00256 0.00154 -0.00079 160 2S -0.01132 -0.01009 -0.00678 -0.01149 0.00083 161 2PX 0.05411 0.00589 0.01972 0.02481 -0.00599 162 2PY -0.00003 0.00333 -0.00118 0.00226 -0.00039 163 2PZ 0.02774 -0.00105 0.01112 -0.00961 -0.00412 164 3S -0.00276 0.00181 -0.00727 0.00403 -0.00147 165 3PX 0.04302 0.00797 0.01496 0.01284 -0.00315 166 3PY -0.01049 -0.00917 -0.00065 -0.00991 -0.00123 167 3PZ 0.02496 0.00564 0.01186 0.00644 -0.00386 168 4XX 0.00170 0.00394 0.00084 0.00307 0.00026 169 4YY -0.00169 -0.00184 0.00011 -0.00116 -0.00010 170 4ZZ 0.00040 -0.00224 -0.00090 -0.00129 -0.00023 171 4XY -0.00083 -0.00265 -0.00134 -0.00149 -0.00008 172 4XZ 0.00036 0.00043 0.00057 -0.00028 -0.00007 173 4YZ -0.00243 -0.00313 -0.00123 -0.00358 -0.00014 174 16 H 1S -0.00198 0.00182 0.00061 -0.00423 -0.00016 175 2S -0.00657 -0.00102 0.00091 -0.00982 -0.00018 176 17 H 1S 0.02034 -0.00386 -0.01134 -0.00078 -0.00022 177 2S 0.02617 0.00365 -0.01244 0.00667 0.00028 178 18 H 1S 0.00046 0.00972 0.00530 0.00139 0.00008 179 2S 0.00729 0.00633 -0.00237 0.00012 0.00074 180 19 H 1S -0.00478 -0.02012 -0.00649 -0.01301 -0.00031 181 2S -0.01425 -0.02383 -0.00530 -0.02551 -0.00458 182 20 H 1S -0.02953 -0.01404 0.00488 -0.00815 0.00033 183 2S -0.02850 -0.01789 0.00480 -0.01337 -0.00067 184 21 H 1S 0.00377 0.00140 -0.00195 0.01246 0.00035 185 2S 0.00975 0.00668 0.00045 0.01870 0.00029 186 22 H 1S 0.01568 -0.00284 -0.00665 0.00495 -0.00012 187 2S 0.02781 0.00370 -0.00431 0.01377 0.00000 188 23 H 1S -0.00334 0.03166 0.01294 0.01167 0.00042 189 2S 0.00322 0.05087 0.02065 0.02777 0.00044 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00025 0.00166 13 4XY 0.00016 0.00042 0.00146 14 4XZ 0.00086 -0.00048 0.00038 0.00147 15 4YZ -0.00001 -0.00006 -0.00045 -0.00023 0.00192 16 2 C 1S -0.00653 0.00345 0.00006 -0.00132 -0.00083 17 2S 0.01193 -0.00793 -0.00036 0.00307 0.00174 18 2PX -0.00091 -0.00234 -0.01259 0.00016 -0.00512 19 2PY 0.00800 -0.01007 0.00564 0.00448 -0.00033 20 2PZ 0.00079 -0.00383 -0.00419 0.00034 -0.01435 21 3S 0.01064 -0.00858 -0.00611 0.00376 0.00376 22 3PX 0.00135 -0.00232 -0.00720 0.00085 -0.00559 23 3PY 0.00339 -0.00223 0.00242 0.00203 0.00311 24 3PZ -0.00131 -0.00164 -0.00480 -0.00145 -0.00723 25 4XX -0.00034 0.00023 0.00016 0.00000 -0.00047 26 4YY -0.00010 -0.00026 -0.00008 -0.00023 0.00007 27 4ZZ -0.00026 0.00074 -0.00004 -0.00019 0.00022 28 4XY 0.00009 0.00003 0.00000 0.00036 -0.00055 29 4XZ -0.00023 -0.00019 -0.00036 0.00004 0.00017 30 4YZ -0.00007 -0.00022 -0.00055 -0.00018 0.00062 31 3 C 1S 0.00096 -0.00113 -0.00146 0.00001 0.00168 32 2S -0.00240 0.00264 0.00346 -0.00074 -0.00394 33 2PX -0.00309 0.00370 0.00387 -0.00314 -0.00432 34 2PY -0.00265 0.00408 0.00847 -0.00028 -0.00717 35 2PZ 0.00291 -0.00352 -0.00432 0.00326 0.00376 36 3S -0.00181 0.00211 0.00258 0.00120 -0.00487 37 3PX -0.00127 0.00287 0.00192 -0.00119 -0.00177 38 3PY 0.00102 0.00152 0.00349 0.00167 -0.00356 39 3PZ 0.00131 0.00097 -0.00042 -0.00022 0.00289 40 4XX -0.00007 0.00058 0.00016 -0.00060 0.00033 41 4YY 0.00019 0.00040 0.00003 0.00024 0.00008 42 4ZZ -0.00013 -0.00110 -0.00034 0.00016 -0.00022 43 4XY -0.00054 0.00069 0.00038 -0.00063 0.00005 44 4XZ 0.00030 -0.00005 -0.00031 0.00052 0.00015 45 4YZ 0.00052 0.00028 -0.00013 0.00021 0.00040 46 4 O 1S 0.00188 -0.00016 0.00471 0.00482 -0.00418 47 2S -0.00418 0.00086 -0.01092 -0.01113 0.00915 48 2PX -0.00840 0.01395 -0.00469 -0.02048 0.01400 49 2PY 0.01666 -0.00483 -0.01117 0.01393 0.00990 50 2PZ 0.00735 0.02319 0.01506 0.00362 0.00086 51 3S -0.00040 -0.00053 -0.01371 -0.00835 0.01642 52 3PX -0.00486 0.01122 -0.00027 -0.01240 0.00874 53 3PY 0.01107 -0.00302 -0.00647 0.00950 0.00554 54 3PZ 0.00453 0.01586 0.00908 0.00058 0.00238 55 4XX -0.00009 0.00032 -0.00036 -0.00026 -0.00009 56 4YY -0.00086 0.00021 0.00086 -0.00067 -0.00082 57 4ZZ 0.00012 -0.00011 0.00000 0.00029 -0.00035 58 4XY 0.00033 -0.00031 0.00003 0.00095 -0.00054 59 4XZ 0.00020 0.00014 0.00023 0.00045 0.00007 60 4YZ -0.00017 -0.00112 -0.00036 -0.00013 0.00011 61 5 H 1S -0.00132 0.00727 0.00489 -0.00218 -0.01376 62 2S -0.00113 0.00780 0.00502 -0.00105 -0.01000 63 6 H 1S 0.00065 0.00201 -0.00225 -0.00136 0.00731 64 2S -0.00249 0.00397 -0.00106 -0.00287 0.00648 65 7 H 1S 0.00013 -0.00360 -0.00183 0.00183 -0.00070 66 2S 0.00011 -0.00765 -0.00380 0.00289 -0.00147 67 8 O 1S -0.00114 -0.00041 -0.00019 -0.00019 0.00025 68 2S 0.00172 0.00103 0.00005 0.00040 -0.00048 69 2PX 0.00323 0.00311 0.00570 -0.00060 -0.00497 70 2PY 0.00526 0.00022 0.00352 0.00130 -0.00300 71 2PZ -0.00191 0.00376 -0.00394 -0.00219 0.00359 72 3S 0.00285 0.00163 0.00089 0.00220 -0.00022 73 3PX 0.00167 0.00235 0.00407 -0.00032 -0.00223 74 3PY 0.00393 0.00031 0.00218 0.00114 -0.00193 75 3PZ -0.00071 0.00284 -0.00122 -0.00133 0.00307 76 4XX 0.00009 -0.00001 -0.00047 -0.00004 -0.00020 77 4YY 0.00005 0.00004 0.00039 -0.00013 -0.00029 78 4ZZ -0.00010 -0.00004 -0.00010 0.00003 0.00046 79 4XY 0.00045 -0.00018 0.00033 0.00009 -0.00023 80 4XZ -0.00027 0.00014 -0.00002 -0.00007 -0.00020 81 4YZ -0.00028 0.00037 -0.00037 -0.00016 -0.00002 82 9 H 1S 0.00042 0.00137 0.00038 -0.00037 0.00170 83 2S 0.00069 0.00375 0.00106 -0.00177 0.00352 84 10 C 1S -0.00006 -0.00029 -0.00007 0.00015 -0.00021 85 2S 0.00020 0.00039 0.00073 -0.00017 0.00063 86 2PX 0.00040 -0.00168 -0.00111 0.00113 -0.00165 87 2PY 0.00036 0.00028 0.00003 -0.00034 0.00047 88 2PZ 0.00041 -0.00081 0.00003 0.00070 -0.00060 89 3S -0.00034 0.00144 -0.00062 -0.00230 0.00014 90 3PX 0.00066 -0.00194 -0.00071 0.00172 -0.00123 91 3PY 0.00015 0.00055 -0.00100 -0.00120 -0.00023 92 3PZ -0.00027 -0.00077 -0.00075 -0.00001 -0.00098 93 4XX 0.00003 -0.00002 -0.00027 -0.00005 -0.00026 94 4YY 0.00000 -0.00001 0.00012 0.00001 0.00010 95 4ZZ -0.00001 0.00004 0.00015 0.00003 0.00014 96 4XY 0.00009 0.00008 -0.00017 -0.00010 -0.00022 97 4XZ 0.00003 -0.00004 0.00000 0.00003 0.00001 98 4YZ 0.00004 0.00003 -0.00028 -0.00011 -0.00028 99 11 C 1S 0.00008 -0.00011 0.00037 0.00016 0.00043 100 2S -0.00001 0.00080 -0.00017 -0.00052 -0.00030 101 2PX -0.00030 -0.00015 0.00560 0.00163 0.00505 102 2PY -0.00009 0.00084 -0.00230 -0.00076 -0.00154 103 2PZ -0.00049 0.00001 0.00325 0.00149 0.00330 104 3S 0.00091 -0.00076 -0.00075 0.00093 -0.00172 105 3PX -0.00001 -0.00058 0.00378 0.00169 0.00389 106 3PY 0.00034 -0.00107 -0.00101 0.00100 -0.00112 107 3PZ -0.00014 -0.00012 0.00331 0.00148 0.00306 108 4XX 0.00001 -0.00011 -0.00023 0.00002 -0.00021 109 4YY 0.00000 0.00000 0.00013 0.00001 0.00009 110 4ZZ -0.00004 0.00012 -0.00002 -0.00009 0.00009 111 4XY -0.00002 0.00007 0.00010 -0.00005 0.00009 112 4XZ 0.00003 -0.00008 -0.00023 -0.00002 -0.00015 113 4YZ -0.00001 0.00007 0.00004 0.00000 0.00002 114 12 C 1S -0.00008 -0.00049 -0.00020 0.00000 -0.00011 115 2S 0.00002 0.00104 0.00069 0.00019 0.00086 116 2PX 0.00039 -0.00049 -0.00069 -0.00064 -0.00045 117 2PY 0.00053 0.00051 -0.00008 -0.00001 -0.00028 118 2PZ 0.00052 -0.00123 -0.00080 -0.00047 -0.00108 119 3S 0.00032 0.00203 0.00000 -0.00124 -0.00021 120 3PX -0.00016 -0.00013 -0.00060 -0.00079 0.00027 121 3PY 0.00051 0.00008 -0.00040 -0.00020 -0.00075 122 3PZ 0.00046 -0.00077 -0.00015 0.00018 -0.00029 123 4XX 0.00000 -0.00004 0.00007 0.00003 0.00007 124 4YY -0.00001 -0.00001 0.00012 0.00006 0.00013 125 4ZZ -0.00001 -0.00004 -0.00025 -0.00009 -0.00020 126 4XY -0.00002 0.00004 0.00000 -0.00003 0.00001 127 4XZ 0.00006 -0.00010 -0.00029 -0.00008 -0.00030 128 4YZ 0.00002 0.00001 0.00005 -0.00005 0.00005 129 13 C 1S 0.00003 -0.00062 -0.00037 -0.00066 -0.00023 130 2S -0.00028 0.00051 0.00055 0.00101 0.00046 131 2PX 0.00017 -0.00050 0.00007 -0.00114 0.00049 132 2PY -0.00039 -0.00047 -0.00037 0.00007 -0.00025 133 2PZ 0.00087 -0.00155 -0.00067 -0.00210 -0.00104 134 3S -0.00173 0.00033 0.00252 0.00128 0.00140 135 3PX 0.00055 0.00056 0.00074 -0.00019 0.00029 136 3PY -0.00030 -0.00096 -0.00040 0.00011 -0.00086 137 3PZ -0.00003 -0.00251 -0.00078 -0.00054 -0.00120 138 4XX 0.00004 0.00005 -0.00009 -0.00012 -0.00013 139 4YY 0.00009 0.00005 0.00006 -0.00001 0.00004 140 4ZZ -0.00008 -0.00017 0.00003 0.00016 0.00000 141 4XY 0.00002 0.00000 0.00001 -0.00005 0.00000 142 4XZ -0.00004 -0.00017 -0.00001 -0.00002 0.00001 143 4YZ -0.00002 -0.00005 -0.00004 -0.00003 -0.00004 144 14 C 1S -0.00015 0.00005 -0.00065 -0.00087 -0.00069 145 2S -0.00073 -0.00093 0.00176 0.00216 0.00189 146 2PX 0.00200 0.00299 -0.00232 -0.00445 -0.00161 147 2PY 0.00234 0.00031 0.00081 -0.00155 0.00050 148 2PZ 0.00114 0.00308 -0.00135 -0.00101 -0.00103 149 3S -0.00222 -0.00433 -0.00025 0.00175 0.00000 150 3PX 0.00123 0.00193 -0.00167 -0.00305 -0.00253 151 3PY 0.00109 0.00251 0.00187 -0.00075 0.00115 152 3PZ 0.00142 0.00258 -0.00109 -0.00144 0.00021 153 4XX 0.00004 0.00018 -0.00038 -0.00023 -0.00043 154 4YY 0.00015 -0.00003 0.00013 0.00003 0.00015 155 4ZZ -0.00007 0.00003 0.00018 0.00010 0.00011 156 4XY 0.00001 -0.00004 -0.00002 0.00010 -0.00003 157 4XZ 0.00004 0.00003 -0.00006 -0.00003 -0.00023 158 4YZ -0.00001 -0.00010 0.00001 0.00000 -0.00001 159 15 C 1S -0.00013 -0.00029 0.00016 0.00048 -0.00029 160 2S -0.00023 0.00012 -0.00026 -0.00093 0.00044 161 2PX 0.00213 0.00134 -0.00434 -0.00196 -0.00518 162 2PY -0.00021 -0.00021 -0.00101 -0.00047 -0.00091 163 2PZ 0.00110 0.00081 -0.00387 -0.00188 -0.00431 164 3S 0.00113 0.00125 0.00143 0.00108 0.00187 165 3PX 0.00075 0.00016 -0.00423 -0.00207 -0.00492 166 3PY 0.00027 0.00052 -0.00158 -0.00124 -0.00050 167 3PZ 0.00119 0.00130 -0.00243 -0.00099 -0.00297 168 4XX -0.00010 -0.00016 0.00005 0.00017 0.00001 169 4YY 0.00008 0.00007 0.00004 -0.00010 0.00007 170 4ZZ 0.00001 0.00017 -0.00002 -0.00012 0.00000 171 4XY 0.00001 0.00011 -0.00003 -0.00007 -0.00001 172 4XZ 0.00004 -0.00001 0.00000 -0.00003 -0.00008 173 4YZ 0.00004 0.00009 -0.00001 -0.00009 0.00002 174 16 H 1S -0.00019 -0.00006 -0.00041 -0.00004 -0.00040 175 2S -0.00042 0.00012 -0.00103 -0.00048 -0.00077 176 17 H 1S 0.00017 -0.00023 0.00115 0.00025 0.00057 177 2S 0.00015 -0.00083 0.00147 0.00089 0.00104 178 18 H 1S -0.00031 0.00031 0.00088 0.00045 0.00090 179 2S -0.00072 0.00003 0.00119 0.00037 0.00185 180 19 H 1S 0.00002 0.00078 -0.00020 0.00019 -0.00044 181 2S 0.00153 0.00304 -0.00010 -0.00038 0.00012 182 20 H 1S 0.00113 -0.00055 0.00138 0.00012 0.00127 183 2S 0.00161 -0.00051 0.00017 -0.00046 0.00062 184 21 H 1S -0.00008 0.00003 -0.00004 -0.00002 0.00023 185 2S -0.00018 0.00021 0.00047 0.00056 0.00024 186 22 H 1S 0.00033 -0.00055 -0.00128 -0.00051 -0.00126 187 2S 0.00034 -0.00111 -0.00256 -0.00036 -0.00282 188 23 H 1S -0.00006 -0.00122 -0.00009 -0.00067 -0.00002 189 2S -0.00015 -0.00139 -0.00070 -0.00052 -0.00017 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.06339 0.33290 18 2PX -0.01202 0.01859 0.34624 19 2PY -0.00509 0.01307 -0.04018 0.43068 20 2PZ 0.01512 -0.02722 0.02212 0.02895 0.37886 21 3S -0.17197 0.27240 0.09824 -0.01729 -0.02425 22 3PX -0.01876 0.03662 0.16687 -0.03763 0.08370 23 3PY -0.00737 0.00401 -0.05108 0.12291 -0.01637 24 3PZ 0.00258 -0.01656 0.08141 -0.01251 0.16320 25 4XX -0.01177 -0.01308 -0.01163 -0.00702 0.01128 26 4YY -0.01725 -0.00102 0.00621 0.01259 -0.00555 27 4ZZ -0.01571 -0.00410 0.00186 -0.01308 -0.00482 28 4XY 0.00020 -0.00034 -0.00115 -0.00496 0.01135 29 4XZ 0.00345 -0.00810 0.01109 0.00918 -0.00700 30 4YZ -0.00424 0.00860 0.01263 -0.00763 -0.00938 31 3 C 1S -0.00316 0.00630 -0.00913 0.01013 0.00382 32 2S 0.00672 -0.01757 0.02191 -0.03217 -0.01023 33 2PX 0.01114 -0.02807 0.02079 -0.01613 -0.02274 34 2PY -0.00216 0.00472 -0.03527 -0.02095 0.03812 35 2PZ -0.00867 0.02123 -0.03435 0.02125 0.00274 36 3S 0.00989 -0.01228 0.04433 -0.05396 -0.00803 37 3PX 0.00779 -0.01318 0.01209 -0.01700 -0.01132 38 3PY -0.00138 0.00392 -0.03150 -0.00049 0.03295 39 3PZ -0.00627 0.01182 -0.03282 0.02177 -0.00864 40 4XX -0.00162 0.00400 -0.00734 -0.00167 0.00611 41 4YY 0.00217 -0.00464 0.00889 0.00518 -0.00718 42 4ZZ -0.00094 0.00176 -0.00480 -0.00206 0.00339 43 4XY 0.00103 -0.00239 0.00014 -0.00067 -0.00422 44 4XZ 0.00005 -0.00046 0.00444 -0.00026 -0.00261 45 4YZ 0.00001 -0.00012 -0.00417 0.00251 -0.00146 46 4 O 1S -0.00177 0.00495 -0.00445 0.00161 0.00858 47 2S 0.00716 -0.01547 0.01395 -0.01725 -0.01592 48 2PX 0.01255 -0.02724 -0.07076 -0.03227 -0.04715 49 2PY -0.02271 0.05459 -0.02748 0.05826 0.01357 50 2PZ 0.00196 -0.00180 -0.04869 0.05133 -0.05761 51 3S -0.00337 -0.00397 0.01641 0.03059 -0.06692 52 3PX 0.00940 -0.02044 -0.05942 -0.01725 -0.04763 53 3PY -0.01410 0.03730 -0.01905 0.03991 0.01444 54 3PZ 0.00232 -0.00380 -0.04772 0.04124 -0.05140 55 4XX 0.00027 0.00014 0.00368 -0.00416 0.00503 56 4YY 0.00139 -0.00234 0.00091 -0.00259 0.00125 57 4ZZ 0.00101 -0.00119 -0.00256 -0.00249 -0.00056 58 4XY 0.00070 -0.00154 0.00302 -0.00608 0.00085 59 4XZ 0.00006 -0.00020 0.00117 -0.00136 -0.00027 60 4YZ -0.00092 0.00213 -0.00170 0.00473 0.00040 61 5 H 1S 0.01654 -0.03648 -0.00835 -0.04028 0.00074 62 2S 0.02040 -0.04061 -0.02371 -0.06415 0.00803 63 6 H 1S -0.06821 0.13567 0.06586 -0.16908 -0.19084 64 2S -0.02048 0.04650 0.03969 -0.13836 -0.15454 65 7 H 1S -0.00289 0.00541 -0.00917 -0.00539 0.00811 66 2S -0.00328 0.00505 0.00162 -0.00263 0.02478 67 8 O 1S 0.00537 -0.00688 0.02953 0.00844 -0.02341 68 2S -0.00989 0.01075 -0.06594 -0.03102 0.05396 69 2PX -0.05683 0.12362 -0.16678 -0.10844 0.18556 70 2PY -0.02553 0.05175 -0.09878 -0.03187 0.06640 71 2PZ 0.03477 -0.06519 0.17838 0.07021 -0.08060 72 3S 0.01400 -0.02637 -0.06856 0.04041 0.04692 73 3PX -0.02659 0.06227 -0.10144 -0.05736 0.09083 74 3PY -0.01948 0.03883 -0.07150 -0.02515 0.04920 75 3PZ 0.01512 -0.02654 0.08267 0.04079 -0.05650 76 4XX -0.00368 0.00604 0.00642 -0.00824 0.00738 77 4YY -0.00126 0.00121 -0.00467 -0.00050 0.00290 78 4ZZ -0.00089 0.00059 -0.00145 -0.00487 -0.00970 79 4XY -0.00464 0.00907 -0.00889 0.00339 0.01056 80 4XZ 0.00489 -0.00779 0.00430 0.00310 0.00129 81 4YZ 0.00277 -0.00505 0.01130 -0.00410 -0.00183 82 9 H 1S -0.00481 0.01265 -0.02123 -0.00580 0.01275 83 2S -0.00437 0.01311 -0.04170 0.00555 0.00477 84 10 C 1S -0.00177 0.00264 0.00503 -0.00170 0.00223 85 2S 0.00269 -0.00451 -0.01912 0.00505 -0.00609 86 2PX -0.00918 0.02098 0.03134 -0.01827 0.00577 87 2PY 0.00007 0.00007 -0.00231 0.00155 -0.00213 88 2PZ -0.00379 0.01059 0.00560 -0.01158 -0.00876 89 3S 0.00657 -0.01521 0.01144 0.00919 -0.00452 90 3PX -0.00947 0.02237 0.02157 -0.01859 0.00993 91 3PY -0.00149 0.00031 0.01375 -0.00226 0.00725 92 3PZ -0.00354 0.00661 0.02093 -0.01555 0.00058 93 4XX -0.00071 0.00088 0.00527 -0.00107 0.00439 94 4YY 0.00004 -0.00016 -0.00264 0.00085 -0.00130 95 4ZZ -0.00029 0.00024 -0.00290 0.00015 -0.00243 96 4XY -0.00017 0.00053 0.00298 -0.00045 0.00269 97 4XZ -0.00039 0.00088 0.00047 -0.00018 -0.00039 98 4YZ -0.00066 0.00094 0.00435 -0.00115 0.00363 99 11 C 1S -0.00195 0.00085 -0.00436 -0.00057 -0.00770 100 2S 0.00260 -0.01172 0.00249 0.00519 0.01088 101 2PX 0.00840 -0.01017 -0.10001 0.02522 -0.08811 102 2PY -0.00426 0.00285 0.03471 -0.01766 0.02312 103 2PZ 0.00242 -0.00667 -0.05642 0.00963 -0.05943 104 3S 0.00480 0.00187 0.00871 -0.00304 0.03423 105 3PX -0.00167 0.00233 -0.06597 0.01546 -0.06250 106 3PY -0.00190 0.00683 0.01516 -0.00278 0.01955 107 3PZ 0.00394 -0.00718 -0.05402 0.01962 -0.05025 108 4XX -0.00149 0.00263 0.00495 -0.00345 0.00290 109 4YY 0.00012 -0.00134 -0.00229 0.00230 -0.00079 110 4ZZ -0.00031 -0.00051 -0.00005 -0.00011 -0.00138 111 4XY 0.00016 -0.00064 -0.00255 -0.00040 -0.00184 112 4XZ -0.00081 0.00232 0.00540 -0.00261 0.00199 113 4YZ 0.00007 -0.00042 -0.00117 -0.00041 -0.00099 114 12 C 1S -0.00159 0.00231 0.00600 -0.00138 0.00521 115 2S 0.00236 -0.00723 -0.01599 0.00411 -0.01805 116 2PX -0.00275 0.00838 0.01450 -0.00285 0.01390 117 2PY 0.00037 0.00112 -0.00149 0.00184 0.00167 118 2PZ -0.00218 0.01165 0.01966 -0.00130 0.01862 119 3S 0.00253 -0.00744 -0.01128 -0.00166 -0.00079 120 3PX -0.00446 0.00430 0.01169 -0.00523 -0.00413 121 3PY 0.00152 0.00070 0.00825 0.00238 0.00977 122 3PZ -0.00310 0.00599 0.00172 0.00093 0.00678 123 4XX -0.00041 0.00046 -0.00106 -0.00006 -0.00135 124 4YY 0.00002 -0.00043 -0.00241 0.00090 -0.00246 125 4ZZ -0.00071 0.00039 0.00460 -0.00118 0.00367 126 4XY 0.00011 -0.00044 -0.00026 -0.00006 -0.00018 127 4XZ -0.00080 0.00161 0.00571 -0.00110 0.00603 128 4YZ 0.00005 -0.00026 -0.00064 0.00024 -0.00063 129 13 C 1S -0.00135 0.00251 0.00750 -0.00026 0.00677 130 2S 0.00330 -0.00445 -0.01644 0.00227 -0.01384 131 2PX -0.00010 0.00034 -0.00554 0.00294 -0.00340 132 2PY -0.00130 0.00180 0.00832 -0.00295 0.00668 133 2PZ -0.00447 0.00621 0.02321 0.00039 0.01784 134 3S 0.00485 -0.00905 -0.04200 -0.00887 -0.03621 135 3PX 0.00199 -0.00102 -0.01625 0.00246 -0.00603 136 3PY 0.00085 -0.00100 0.00749 -0.00145 0.01047 137 3PZ -0.00127 0.00195 0.01818 0.00014 0.01479 138 4XX -0.00017 0.00043 0.00142 0.00010 0.00137 139 4YY 0.00005 -0.00014 -0.00112 0.00098 -0.00090 140 4ZZ 0.00010 -0.00005 0.00045 -0.00111 0.00048 141 4XY -0.00010 -0.00003 -0.00026 0.00047 -0.00017 142 4XZ -0.00018 0.00024 0.00165 -0.00062 0.00134 143 4YZ -0.00019 -0.00007 0.00050 -0.00021 0.00023 144 14 C 1S -0.00096 0.00309 0.00603 0.00166 0.00544 145 2S 0.00325 -0.00398 -0.01973 -0.00257 -0.01611 146 2PX -0.00345 0.00804 0.00551 0.02187 0.01143 147 2PY -0.00442 0.00652 0.00669 0.01613 0.00647 148 2PZ -0.00067 0.00424 0.00168 0.01219 0.00574 149 3S -0.00040 -0.00632 0.01556 -0.00883 0.00403 150 3PX -0.00319 0.00583 0.01655 0.01832 0.02251 151 3PY 0.00096 0.00157 -0.02129 0.00074 -0.01489 152 3PZ -0.00134 0.00436 0.00021 0.01983 -0.00080 153 4XX -0.00050 0.00121 0.00643 -0.00220 0.00551 154 4YY -0.00011 0.00041 -0.00097 0.00126 -0.00060 155 4ZZ 0.00057 -0.00090 -0.00319 0.00002 -0.00256 156 4XY -0.00027 0.00041 0.00143 0.00056 0.00100 157 4XZ -0.00026 0.00034 0.00303 -0.00109 0.00228 158 4YZ -0.00015 0.00011 0.00055 0.00046 0.00053 159 15 C 1S -0.00069 0.00058 0.00296 0.00009 0.00128 160 2S 0.00137 -0.00173 -0.00818 0.00136 -0.00389 161 2PX -0.01088 0.02271 0.07788 -0.01169 0.05914 162 2PY -0.00261 0.00401 0.01578 -0.00431 0.01023 163 2PZ -0.00737 0.01700 0.05638 -0.01181 0.04336 164 3S 0.00208 0.00403 -0.03499 0.00091 -0.02193 165 3PX -0.00807 0.01432 0.07610 -0.01110 0.05781 166 3PY -0.00240 0.00316 0.02120 0.00161 0.01051 167 3PZ -0.00512 0.01319 0.03849 -0.01334 0.03313 168 4XX -0.00017 0.00011 0.00104 -0.00106 0.00011 169 4YY -0.00007 0.00011 -0.00086 0.00089 -0.00024 170 4ZZ -0.00009 0.00012 -0.00078 0.00044 -0.00054 171 4XY 0.00015 -0.00040 -0.00032 0.00083 0.00062 172 4XZ -0.00014 0.00022 0.00094 0.00028 0.00048 173 4YZ 0.00012 -0.00031 -0.00042 0.00109 0.00030 174 16 H 1S -0.00015 -0.00040 0.00506 -0.00070 0.00683 175 2S -0.00151 0.00011 0.01519 -0.00607 0.00960 176 17 H 1S 0.00407 -0.00632 -0.01725 0.01445 -0.00485 177 2S 0.00291 -0.00295 -0.02258 0.01729 -0.01180 178 18 H 1S 0.00210 -0.00547 -0.01760 0.00283 -0.01904 179 2S 0.00287 -0.00626 -0.01632 0.00558 -0.03810 180 19 H 1S 0.00008 0.00018 0.00265 -0.00031 0.00232 181 2S -0.00157 0.00339 -0.00523 0.00814 -0.00184 182 20 H 1S -0.00154 0.00207 -0.00480 0.00972 -0.00401 183 2S -0.00262 0.00378 0.00466 0.01646 0.00643 184 21 H 1S -0.00005 -0.00019 -0.00044 -0.00075 -0.00029 185 2S 0.00058 -0.00104 -0.00610 -0.00445 -0.00388 186 22 H 1S -0.00262 0.00803 0.02530 -0.00458 0.02413 187 2S -0.00279 0.01136 0.05153 -0.00984 0.05073 188 23 H 1S -0.00124 0.00103 0.00605 -0.00207 0.00384 189 2S -0.00320 0.00339 0.02199 -0.00742 0.01343 21 22 23 24 25 21 3S 0.30219 22 3PX 0.06502 0.10753 23 3PY 0.00113 -0.03281 0.05314 24 3PZ 0.01242 0.06595 -0.02386 0.09331 25 4XX -0.01109 -0.00268 -0.00135 0.00337 0.00284 26 4YY -0.00004 -0.00020 0.00171 -0.00081 -0.00081 27 4ZZ -0.00312 0.00076 -0.00225 -0.00239 -0.00057 28 4XY -0.00071 0.00124 -0.00301 0.00446 0.00068 29 4XZ -0.00263 0.00148 0.00128 0.00020 -0.00036 30 4YZ 0.01358 0.00464 -0.00211 -0.00057 -0.00059 31 3 C 1S 0.00670 -0.00601 0.00711 0.00105 -0.00035 32 2S -0.01118 0.01085 -0.01567 0.00196 0.00109 33 2PX -0.04028 0.01472 -0.00222 -0.01111 0.00363 34 2PY -0.01440 -0.02859 -0.02782 0.02412 0.00023 35 2PZ 0.03381 -0.02621 0.00353 -0.00500 -0.00250 36 3S 0.00695 0.01789 -0.02482 0.01202 -0.00050 37 3PX -0.01714 0.00542 -0.00310 -0.00397 -0.00005 38 3PY -0.00615 -0.00955 -0.00235 0.00881 0.00246 39 3PZ 0.00196 -0.02105 0.01079 -0.01369 -0.00320 40 4XX 0.00033 -0.00298 0.00046 0.00145 -0.00073 41 4YY -0.00421 0.00355 0.00211 -0.00332 -0.00023 42 4ZZ 0.00361 -0.00142 -0.00189 0.00199 0.00112 43 4XY -0.00110 -0.00345 -0.00191 0.00079 0.00018 44 4XZ 0.00243 0.00084 -0.00050 -0.00028 -0.00044 45 4YZ 0.00005 -0.00060 0.00299 -0.00241 0.00103 46 4 O 1S -0.01910 0.00040 -0.00865 0.00034 0.00017 47 2S 0.03950 0.00019 0.01380 0.00415 -0.00013 48 2PX -0.05188 -0.06279 0.00292 -0.01594 -0.00182 49 2PY 0.11863 0.01234 0.06999 -0.02558 0.00128 50 2PZ -0.02244 -0.04574 0.04212 -0.04498 -0.00149 51 3S 0.06990 -0.00816 0.04759 -0.02586 -0.00332 52 3PX -0.04010 -0.05123 0.00649 -0.02008 -0.00100 53 3PY 0.07832 0.00951 0.04589 -0.01459 0.00137 54 3PZ -0.02352 -0.03958 0.03265 -0.03823 -0.00132 55 4XX 0.00129 0.00203 -0.00205 0.00335 -0.00005 56 4YY -0.00668 0.00009 -0.00370 0.00189 0.00012 57 4ZZ -0.00189 -0.00056 -0.00107 -0.00081 0.00028 58 4XY 0.00119 0.00307 -0.00152 0.00019 0.00034 59 4XZ 0.00024 0.00084 0.00009 -0.00043 0.00007 60 4YZ 0.00089 -0.00049 0.00055 0.00013 -0.00012 61 5 H 1S -0.06702 0.00166 -0.02501 0.00184 0.00286 62 2S -0.06604 -0.00133 -0.02215 -0.00052 0.00381 63 6 H 1S 0.13824 0.01468 -0.04019 -0.06420 -0.01029 64 2S 0.05310 -0.00281 -0.02939 -0.05322 -0.00708 65 7 H 1S 0.02075 -0.00569 -0.00941 0.00565 0.00242 66 2S 0.03059 0.00485 -0.01304 0.01771 0.00650 67 8 O 1S 0.03365 -0.00190 0.00927 0.00882 -0.00408 68 2S -0.08565 0.00927 -0.02011 -0.02164 0.01018 69 2PX 0.03602 -0.02838 -0.01436 0.03336 -0.00969 70 2PY 0.06393 0.00550 0.04342 0.00090 0.01249 71 2PZ -0.07380 0.06530 0.02441 -0.03152 -0.02964 72 3S -0.14496 0.00225 -0.00577 -0.03626 0.00913 73 3PX 0.00385 -0.02096 -0.00218 0.00666 -0.00840 74 3PY 0.04541 0.00213 0.02760 0.00150 0.00828 75 3PZ -0.04402 0.02602 0.01820 -0.02939 -0.02040 76 4XX 0.00706 0.00485 -0.00343 0.00474 -0.00053 77 4YY 0.00256 -0.00001 0.00238 0.00049 0.00073 78 4ZZ 0.00267 -0.00309 -0.00096 -0.00348 -0.00006 79 4XY 0.00460 -0.00132 0.00224 0.00177 -0.00044 80 4XZ -0.00512 0.00089 0.00065 0.00175 -0.00015 81 4YZ -0.00392 0.00492 -0.00177 0.00036 -0.00104 82 9 H 1S 0.00895 -0.01223 -0.00077 0.00416 -0.00346 83 2S -0.00499 -0.02402 0.00972 -0.00725 -0.00562 84 10 C 1S 0.00361 0.00659 -0.00256 0.00154 -0.00079 85 2S -0.01130 -0.01009 0.00681 -0.01149 0.00083 86 2PX 0.05382 0.00582 -0.01977 0.02462 -0.00597 87 2PY 0.00014 -0.00333 -0.00111 -0.00218 0.00039 88 2PZ 0.02755 -0.00108 -0.01112 -0.00974 -0.00411 89 3S -0.00258 0.00197 0.00723 0.00418 -0.00147 90 3PX 0.04271 0.00782 -0.01494 0.01263 -0.00314 91 3PY 0.01057 0.00925 -0.00065 0.01001 0.00123 92 3PZ 0.02485 0.00565 -0.01188 0.00641 -0.00384 93 4XX 0.00169 0.00393 -0.00085 0.00308 0.00026 94 4YY -0.00170 -0.00184 -0.00011 -0.00117 -0.00010 95 4ZZ 0.00040 -0.00224 0.00089 -0.00129 -0.00022 96 4XY 0.00083 0.00267 -0.00134 0.00150 0.00008 97 4XZ 0.00036 0.00043 -0.00057 -0.00028 -0.00007 98 4YZ 0.00242 0.00314 -0.00124 0.00359 0.00014 99 11 C 1S 0.01939 0.00116 0.00041 0.00289 -0.00166 100 2S -0.00896 -0.00241 0.00592 0.00279 0.00290 101 2PX -0.03365 -0.06900 0.01878 -0.07198 -0.00639 102 2PY 0.03749 0.02651 0.00962 0.01845 0.00236 103 2PZ 0.01777 -0.05822 0.01996 -0.02547 -0.00505 104 3S 0.00630 0.01128 -0.00143 0.01274 0.00710 105 3PX -0.00812 -0.04898 0.01368 -0.04713 -0.00462 106 3PY 0.01658 0.01404 -0.00008 0.01039 0.00312 107 3PZ -0.00655 -0.04816 0.01789 -0.03225 -0.00457 108 4XX 0.00471 0.00306 -0.00193 0.00246 -0.00044 109 4YY -0.00363 -0.00184 -0.00001 -0.00113 0.00003 110 4ZZ -0.00023 0.00014 0.00089 -0.00026 0.00011 111 4XY -0.00142 -0.00135 -0.00003 -0.00168 0.00002 112 4XZ 0.00284 0.00369 -0.00203 0.00204 -0.00022 113 4YZ 0.00038 -0.00132 0.00011 0.00000 -0.00008 114 12 C 1S 0.00605 0.00469 -0.00098 0.00664 -0.00063 115 2S -0.00121 -0.01724 0.01047 -0.00696 0.00056 116 2PX 0.00164 0.02393 -0.00747 0.00780 -0.00092 117 2PY -0.00808 -0.00044 -0.00127 -0.00013 0.00003 118 2PZ -0.01877 0.03169 -0.02060 0.00119 -0.00036 119 3S 0.00829 -0.00607 0.01293 0.00627 0.00264 120 3PX 0.00073 0.01151 -0.00523 0.00039 -0.00163 121 3PY -0.00019 0.00631 -0.00019 0.00483 -0.00104 122 3PZ -0.00601 0.01035 -0.00825 -0.00124 0.00221 123 4XX 0.00009 -0.00075 -0.00012 -0.00115 -0.00015 124 4YY -0.00192 -0.00187 0.00015 -0.00175 -0.00006 125 4ZZ 0.00176 0.00344 -0.00076 0.00269 0.00024 126 4XY -0.00003 -0.00086 0.00052 -0.00002 0.00009 127 4XZ 0.00100 0.00534 -0.00189 0.00366 0.00014 128 4YZ 0.00124 -0.00131 0.00081 0.00021 -0.00006 129 13 C 1S 0.00525 0.00501 -0.00098 0.00473 0.00003 130 2S -0.02178 -0.00781 -0.00159 -0.01518 0.00002 131 2PX 0.00056 -0.01196 0.00920 -0.00203 0.00010 132 2PY 0.00372 0.01241 -0.00421 0.00044 0.00020 133 2PZ 0.04391 0.01019 0.00921 0.02312 -0.00036 134 3S -0.04202 -0.02846 -0.00531 -0.03146 -0.00109 135 3PX -0.00316 -0.01263 0.00703 -0.00619 0.00047 136 3PY 0.00211 0.00968 -0.00078 0.00394 0.00025 137 3PZ 0.02036 0.00944 0.00151 0.01534 -0.00020 138 4XX 0.00139 0.00147 -0.00037 0.00129 0.00000 139 4YY 0.00026 -0.00078 0.00090 -0.00035 0.00006 140 4ZZ -0.00033 -0.00014 -0.00036 -0.00008 0.00003 141 4XY 0.00040 -0.00081 0.00055 0.00005 0.00005 142 4XZ 0.00187 0.00006 0.00044 0.00093 -0.00004 143 4YZ 0.00164 -0.00037 0.00061 0.00080 0.00002 144 14 C 1S -0.00389 0.00527 -0.00344 0.00096 -0.00015 145 2S -0.01547 -0.01585 0.00097 -0.01388 0.00009 146 2PX 0.01232 0.01451 0.00292 0.02189 0.00099 147 2PY 0.04112 0.00810 0.01502 0.00949 -0.00029 148 2PZ -0.01990 0.01706 -0.01068 -0.00462 0.00081 149 3S -0.00130 0.00102 -0.00790 0.00824 0.00049 150 3PX 0.00674 0.01968 -0.00152 0.02266 0.00095 151 3PY 0.00008 -0.01039 0.00612 -0.01132 -0.00074 152 3PZ -0.00726 0.01000 0.00095 -0.00260 0.00042 153 4XX 0.00313 0.00457 -0.00248 0.00449 0.00002 154 4YY 0.00160 -0.00070 0.00134 -0.00045 -0.00003 155 4ZZ -0.00306 -0.00203 0.00064 -0.00256 -0.00003 156 4XY 0.00030 0.00087 0.00000 0.00032 -0.00001 157 4XZ 0.00172 0.00156 -0.00055 0.00176 0.00002 158 4YZ 0.00055 0.00014 0.00041 0.00046 0.00004 159 15 C 1S 0.00390 0.00128 0.00151 0.00188 -0.00022 160 2S -0.00675 -0.00636 -0.00183 -0.00092 0.00029 161 2PX 0.05245 0.05993 -0.02895 0.04680 -0.00077 162 2PY 0.01285 0.01206 -0.00203 0.01426 -0.00019 163 2PZ 0.03688 0.04013 -0.02429 0.04468 0.00000 164 3S -0.01677 -0.01880 -0.00027 -0.02378 -0.00100 165 3PX 0.04054 0.05298 -0.02564 0.04992 0.00035 166 3PY 0.01633 0.01498 0.00051 0.01451 0.00038 167 3PZ 0.02597 0.03152 -0.01799 0.02778 0.00045 168 4XX 0.00024 -0.00003 -0.00019 -0.00002 -0.00005 169 4YY 0.00068 -0.00029 0.00078 -0.00031 0.00003 170 4ZZ -0.00088 -0.00002 -0.00009 -0.00039 -0.00002 171 4XY -0.00199 0.00069 0.00034 -0.00057 0.00023 172 4XZ 0.00100 0.00051 0.00015 0.00056 -0.00002 173 4YZ -0.00082 0.00007 0.00064 0.00064 0.00018 174 16 H 1S 0.00375 0.00142 0.00190 0.01246 0.00035 175 2S 0.00974 0.00674 -0.00052 0.01875 0.00029 176 17 H 1S -0.02945 -0.01401 -0.00483 -0.00814 0.00033 177 2S -0.02842 -0.01788 -0.00474 -0.01338 -0.00067 178 18 H 1S -0.00475 -0.02016 0.00650 -0.01304 -0.00031 179 2S -0.01426 -0.02392 0.00534 -0.02562 -0.00458 180 19 H 1S 0.00045 0.00975 -0.00533 0.00139 0.00007 181 2S 0.00730 0.00641 0.00231 0.00016 0.00073 182 20 H 1S 0.02040 -0.00386 0.01138 -0.00075 -0.00023 183 2S 0.02627 0.00371 0.01247 0.00676 0.00028 184 21 H 1S -0.00202 0.00181 -0.00061 -0.00425 -0.00016 185 2S -0.00666 -0.00107 -0.00089 -0.00990 -0.00018 186 22 H 1S -0.00342 0.03164 -0.01291 0.01170 0.00042 187 2S 0.00307 0.05084 -0.02064 0.02778 0.00044 188 23 H 1S 0.01568 -0.00286 0.00665 0.00498 -0.00012 189 2S 0.02779 0.00369 0.00429 0.01382 0.00001 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00025 0.00166 28 4XY -0.00016 -0.00042 0.00146 29 4XZ 0.00086 -0.00048 -0.00038 0.00146 30 4YZ 0.00001 0.00006 -0.00046 0.00023 0.00192 31 3 C 1S 0.00097 -0.00114 0.00146 0.00001 -0.00168 32 2S -0.00241 0.00264 -0.00346 -0.00075 0.00393 33 2PX -0.00311 0.00372 -0.00387 -0.00315 0.00431 34 2PY 0.00267 -0.00409 0.00847 0.00030 -0.00716 35 2PZ 0.00293 -0.00354 0.00434 0.00327 -0.00376 36 3S -0.00182 0.00212 -0.00259 0.00119 0.00486 37 3PX -0.00128 0.00288 -0.00192 -0.00119 0.00177 38 3PY -0.00101 -0.00153 0.00350 -0.00166 -0.00356 39 3PZ 0.00132 0.00095 0.00043 -0.00021 -0.00290 40 4XX -0.00007 0.00058 -0.00016 -0.00060 -0.00034 41 4YY 0.00019 0.00040 -0.00003 0.00024 -0.00008 42 4ZZ -0.00013 -0.00110 0.00034 0.00016 0.00022 43 4XY 0.00054 -0.00069 0.00038 0.00063 0.00005 44 4XZ 0.00030 -0.00005 0.00031 0.00052 -0.00015 45 4YZ -0.00052 -0.00027 -0.00013 -0.00022 0.00040 46 4 O 1S -0.00113 -0.00041 0.00019 -0.00019 -0.00025 47 2S 0.00172 0.00103 -0.00005 0.00040 0.00048 48 2PX 0.00322 0.00312 -0.00571 -0.00061 0.00497 49 2PY -0.00525 -0.00023 0.00352 -0.00129 -0.00300 50 2PZ -0.00191 0.00375 0.00396 -0.00218 -0.00361 51 3S 0.00284 0.00163 -0.00090 0.00219 0.00023 52 3PX 0.00166 0.00236 -0.00407 -0.00033 0.00223 53 3PY -0.00393 -0.00032 0.00219 -0.00113 -0.00193 54 3PZ -0.00071 0.00283 0.00123 -0.00133 -0.00308 55 4XX 0.00009 -0.00001 0.00046 -0.00004 0.00020 56 4YY 0.00005 0.00004 -0.00039 -0.00013 0.00029 57 4ZZ -0.00010 -0.00004 0.00010 0.00003 -0.00046 58 4XY -0.00045 0.00017 0.00033 -0.00009 -0.00023 59 4XZ -0.00027 0.00014 0.00002 -0.00007 0.00019 60 4YZ 0.00028 -0.00037 -0.00037 0.00016 -0.00001 61 5 H 1S 0.00068 0.00199 0.00224 -0.00135 -0.00733 62 2S -0.00246 0.00396 0.00105 -0.00287 -0.00651 63 6 H 1S -0.00134 0.00728 -0.00492 -0.00221 0.01374 64 2S -0.00115 0.00780 -0.00505 -0.00107 0.00998 65 7 H 1S 0.00013 -0.00360 0.00183 0.00183 0.00071 66 2S 0.00011 -0.00764 0.00380 0.00289 0.00149 67 8 O 1S 0.00186 -0.00015 -0.00472 0.00481 0.00419 68 2S -0.00415 0.00084 0.01095 -0.01111 -0.00917 69 2PX -0.00835 0.01392 0.00472 -0.02045 -0.01407 70 2PY -0.01672 0.00483 -0.01111 -0.01398 0.00986 71 2PZ 0.00732 0.02319 -0.01511 0.00359 -0.00087 72 3S -0.00035 -0.00056 0.01374 -0.00831 -0.01643 73 3PX -0.00482 0.01120 0.00029 -0.01238 -0.00878 74 3PY -0.01110 0.00302 -0.00643 -0.00953 0.00551 75 3PZ 0.00452 0.01586 -0.00911 0.00056 -0.00239 76 4XX -0.00009 0.00032 0.00036 -0.00026 0.00009 77 4YY -0.00087 0.00021 -0.00085 -0.00067 0.00082 78 4ZZ 0.00012 -0.00011 0.00000 0.00029 0.00035 79 4XY -0.00033 0.00031 0.00003 -0.00095 -0.00054 80 4XZ 0.00020 0.00014 -0.00023 0.00045 -0.00007 81 4YZ 0.00016 0.00112 -0.00036 0.00013 0.00011 82 9 H 1S 0.00043 0.00137 -0.00038 -0.00037 -0.00170 83 2S 0.00071 0.00374 -0.00106 -0.00177 -0.00353 84 10 C 1S -0.00013 -0.00029 -0.00016 0.00048 0.00029 85 2S -0.00023 0.00012 0.00026 -0.00092 -0.00044 86 2PX 0.00212 0.00136 0.00433 -0.00195 0.00517 87 2PY 0.00021 0.00021 -0.00101 0.00046 -0.00090 88 2PZ 0.00109 0.00083 0.00385 -0.00186 0.00429 89 3S 0.00114 0.00122 -0.00143 0.00108 -0.00186 90 3PX 0.00074 0.00019 0.00422 -0.00206 0.00491 91 3PY -0.00027 -0.00053 -0.00157 0.00123 -0.00049 92 3PZ 0.00119 0.00131 0.00242 -0.00097 0.00296 93 4XX -0.00010 -0.00016 -0.00005 0.00017 -0.00001 94 4YY 0.00008 0.00007 -0.00004 -0.00010 -0.00007 95 4ZZ 0.00001 0.00017 0.00002 -0.00012 0.00000 96 4XY -0.00001 -0.00011 -0.00003 0.00007 -0.00001 97 4XZ 0.00004 -0.00001 0.00000 -0.00003 0.00008 98 4YZ -0.00004 -0.00009 -0.00001 0.00009 0.00002 99 11 C 1S -0.00015 0.00005 0.00065 -0.00087 0.00069 100 2S -0.00072 -0.00094 -0.00175 0.00214 -0.00188 101 2PX 0.00199 0.00300 0.00231 -0.00443 0.00160 102 2PY -0.00233 -0.00032 0.00081 0.00155 0.00050 103 2PZ 0.00113 0.00307 0.00134 -0.00101 0.00103 104 3S -0.00221 -0.00430 0.00026 0.00173 0.00001 105 3PX 0.00123 0.00195 0.00166 -0.00304 0.00252 106 3PY -0.00110 -0.00250 0.00186 0.00074 0.00115 107 3PZ 0.00142 0.00257 0.00108 -0.00144 -0.00021 108 4XX 0.00004 0.00018 0.00037 -0.00022 0.00043 109 4YY 0.00015 -0.00003 -0.00013 0.00003 -0.00015 110 4ZZ -0.00007 0.00003 -0.00018 0.00010 -0.00011 111 4XY -0.00001 0.00004 -0.00002 -0.00009 -0.00003 112 4XZ 0.00004 0.00003 0.00006 -0.00004 0.00023 113 4YZ 0.00001 0.00010 0.00001 0.00000 -0.00001 114 12 C 1S 0.00003 -0.00062 0.00037 -0.00065 0.00023 115 2S -0.00028 0.00050 -0.00055 0.00101 -0.00046 116 2PX 0.00017 -0.00050 -0.00007 -0.00114 -0.00049 117 2PY 0.00039 0.00048 -0.00037 -0.00007 -0.00025 118 2PZ 0.00086 -0.00154 0.00068 -0.00209 0.00104 119 3S -0.00172 0.00030 -0.00251 0.00127 -0.00140 120 3PX 0.00055 0.00056 -0.00074 -0.00019 -0.00029 121 3PY 0.00030 0.00096 -0.00040 -0.00011 -0.00086 122 3PZ -0.00003 -0.00249 0.00077 -0.00054 0.00121 123 4XX 0.00004 0.00005 0.00009 -0.00012 0.00013 124 4YY 0.00009 0.00005 -0.00006 -0.00001 -0.00004 125 4ZZ -0.00008 -0.00017 -0.00003 0.00016 0.00000 126 4XY -0.00002 0.00000 0.00001 0.00005 0.00000 127 4XZ -0.00004 -0.00017 0.00001 -0.00002 -0.00001 128 4YZ 0.00002 0.00005 -0.00004 0.00003 -0.00004 129 13 C 1S -0.00008 -0.00049 0.00020 0.00000 0.00011 130 2S 0.00002 0.00104 -0.00070 0.00019 -0.00086 131 2PX 0.00039 -0.00049 0.00069 -0.00064 0.00045 132 2PY -0.00053 -0.00051 -0.00008 0.00001 -0.00028 133 2PZ 0.00051 -0.00123 0.00080 -0.00047 0.00108 134 3S 0.00031 0.00205 -0.00001 -0.00124 0.00019 135 3PX -0.00016 -0.00013 0.00060 -0.00079 -0.00027 136 3PY -0.00050 -0.00008 -0.00040 0.00020 -0.00075 137 3PZ 0.00046 -0.00077 0.00015 0.00019 0.00030 138 4XX 0.00000 -0.00004 -0.00007 0.00003 -0.00007 139 4YY -0.00001 -0.00001 -0.00012 0.00006 -0.00013 140 4ZZ -0.00001 -0.00004 0.00024 -0.00008 0.00020 141 4XY 0.00002 -0.00004 0.00000 0.00003 0.00001 142 4XZ 0.00006 -0.00009 0.00029 -0.00008 0.00030 143 4YZ -0.00002 -0.00001 0.00005 0.00005 0.00005 144 14 C 1S 0.00008 -0.00011 -0.00038 0.00016 -0.00043 145 2S -0.00002 0.00080 0.00017 -0.00052 0.00030 146 2PX -0.00029 -0.00017 -0.00560 0.00161 -0.00504 147 2PY 0.00010 -0.00085 -0.00230 0.00075 -0.00154 148 2PZ -0.00048 0.00000 -0.00325 0.00149 -0.00330 149 3S 0.00091 -0.00076 0.00075 0.00094 0.00173 150 3PX 0.00001 -0.00060 -0.00377 0.00168 -0.00387 151 3PY -0.00033 0.00108 -0.00102 -0.00101 -0.00112 152 3PZ -0.00013 -0.00013 -0.00331 0.00147 -0.00305 153 4XX 0.00001 -0.00011 0.00023 0.00002 0.00021 154 4YY 0.00000 0.00000 -0.00013 0.00001 -0.00009 155 4ZZ -0.00004 0.00012 0.00001 -0.00009 -0.00009 156 4XY 0.00001 -0.00007 0.00010 0.00005 0.00009 157 4XZ 0.00003 -0.00008 0.00023 -0.00002 0.00015 158 4YZ 0.00001 -0.00007 0.00004 0.00000 0.00003 159 15 C 1S -0.00006 -0.00029 0.00007 0.00015 0.00021 160 2S 0.00020 0.00039 -0.00073 -0.00017 -0.00062 161 2PX 0.00040 -0.00168 0.00112 0.00113 0.00166 162 2PY -0.00036 -0.00028 0.00003 0.00034 0.00047 163 2PZ 0.00041 -0.00081 -0.00003 0.00070 0.00061 164 3S -0.00034 0.00146 0.00061 -0.00230 -0.00015 165 3PX 0.00066 -0.00195 0.00073 0.00173 0.00124 166 3PY -0.00015 -0.00056 -0.00100 0.00120 -0.00023 167 3PZ -0.00027 -0.00077 0.00075 -0.00001 0.00098 168 4XX 0.00002 -0.00002 0.00027 -0.00005 0.00026 169 4YY 0.00000 -0.00001 -0.00012 0.00001 -0.00010 170 4ZZ -0.00001 0.00004 -0.00015 0.00003 -0.00014 171 4XY -0.00009 -0.00008 -0.00017 0.00010 -0.00022 172 4XZ 0.00003 -0.00005 0.00000 0.00003 -0.00001 173 4YZ -0.00004 -0.00003 -0.00028 0.00011 -0.00028 174 16 H 1S -0.00008 0.00003 0.00004 -0.00002 -0.00023 175 2S -0.00018 0.00021 -0.00046 0.00056 -0.00024 176 17 H 1S 0.00112 -0.00055 -0.00137 0.00012 -0.00126 177 2S 0.00160 -0.00050 -0.00016 -0.00045 -0.00062 178 18 H 1S 0.00002 0.00078 0.00019 0.00020 0.00044 179 2S 0.00153 0.00305 0.00009 -0.00037 -0.00013 180 19 H 1S -0.00030 0.00031 -0.00088 0.00045 -0.00090 181 2S -0.00071 0.00002 -0.00118 0.00037 -0.00185 182 20 H 1S 0.00017 -0.00023 -0.00116 0.00024 -0.00057 183 2S 0.00016 -0.00084 -0.00147 0.00089 -0.00103 184 21 H 1S -0.00020 -0.00006 0.00041 -0.00004 0.00040 185 2S -0.00042 0.00012 0.00102 -0.00048 0.00076 186 22 H 1S -0.00006 -0.00121 0.00009 -0.00066 0.00003 187 2S -0.00015 -0.00138 0.00071 -0.00051 0.00017 188 23 H 1S 0.00032 -0.00055 0.00128 -0.00051 0.00126 189 2S 0.00033 -0.00110 0.00256 -0.00035 0.00282 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.06512 0.34291 33 2PX 0.01455 -0.02588 0.42800 34 2PY 0.00001 -0.00001 0.00000 0.29269 35 2PZ -0.01513 0.02463 0.04321 -0.00015 0.42492 36 3S -0.14988 0.26011 -0.04460 -0.00005 0.05590 37 3PX 0.00857 -0.01869 0.15537 0.00000 0.01403 38 3PY 0.00002 -0.00003 0.00001 0.07095 -0.00008 39 3PZ -0.01235 0.02303 0.00828 -0.00007 0.14521 40 4XX -0.01781 0.00026 -0.02405 0.00000 -0.00913 41 4YY -0.01312 -0.01025 0.01563 0.00005 -0.01615 42 4ZZ -0.01764 -0.00043 0.01019 -0.00006 0.02328 43 4XY 0.00000 0.00000 0.00000 0.02089 0.00001 44 4XZ -0.00060 0.00098 -0.01143 0.00001 0.01232 45 4YZ 0.00001 -0.00001 0.00000 -0.02049 -0.00006 46 4 O 1S 0.00354 -0.00182 -0.01529 -0.02800 0.01498 47 2S -0.00656 0.00256 0.03726 0.06683 -0.03591 48 2PX 0.02524 -0.05127 -0.05312 -0.12297 0.05810 49 2PY 0.05980 -0.13137 -0.13989 -0.22027 0.14503 50 2PZ -0.02416 0.04926 0.05313 0.13937 -0.05230 51 3S 0.02100 -0.05476 0.02477 0.03598 -0.02659 52 3PX 0.00730 -0.01640 -0.03747 -0.04934 0.01726 53 3PY 0.03521 -0.07591 -0.08017 -0.13406 0.08580 54 3PZ -0.00642 0.01404 0.01322 0.06649 -0.03948 55 4XX 0.00031 -0.00092 -0.00985 -0.00249 0.00035 56 4YY -0.00713 0.01323 0.01105 0.01052 -0.01119 57 4ZZ 0.00033 -0.00065 0.00018 -0.00111 0.00931 58 4XY -0.00305 0.00578 -0.00350 0.00263 -0.00410 59 4XZ 0.00130 -0.00169 0.00297 -0.00092 -0.00265 60 4YZ 0.00367 -0.00686 -0.00513 -0.00521 -0.00223 61 5 H 1S -0.00734 0.02026 0.01910 0.03008 -0.01931 62 2S -0.00777 0.02245 0.02695 0.03204 -0.03242 63 6 H 1S -0.00735 0.02026 0.01913 -0.03005 -0.01939 64 2S -0.00777 0.02247 0.02701 -0.03198 -0.03250 65 7 H 1S -0.05992 0.12294 0.07205 -0.00026 0.26777 66 2S -0.01152 0.03387 0.08270 -0.00021 0.21792 67 8 O 1S 0.00354 -0.00182 -0.01530 0.02796 0.01504 68 2S -0.00655 0.00255 0.03728 -0.06674 -0.03603 69 2PX 0.02525 -0.05128 -0.05320 0.12289 0.05836 70 2PY -0.05973 0.13121 0.13979 -0.21970 -0.14529 71 2PZ -0.02426 0.04949 0.05342 -0.13964 -0.05286 72 3S 0.02100 -0.05475 0.02478 -0.03595 -0.02668 73 3PX 0.00731 -0.01641 -0.03751 0.04933 0.01739 74 3PY -0.03519 0.07585 0.08015 -0.13377 -0.08595 75 3PZ -0.00648 0.01417 0.01340 -0.06663 -0.03977 76 4XX 0.00031 -0.00092 -0.00985 0.00248 0.00035 77 4YY -0.00711 0.01320 0.01103 -0.01048 -0.01122 78 4ZZ 0.00032 -0.00063 0.00020 0.00108 0.00932 79 4XY 0.00305 -0.00578 0.00348 0.00263 0.00411 80 4XZ 0.00130 -0.00170 0.00298 0.00093 -0.00265 81 4YZ -0.00369 0.00688 0.00515 -0.00523 0.00217 82 9 H 1S -0.05970 0.12410 -0.27095 0.00002 -0.06530 83 2S -0.01231 0.03558 -0.21703 0.00004 -0.07297 84 10 C 1S -0.00034 0.00067 0.00089 -0.00109 0.00031 85 2S 0.00050 -0.00179 -0.00226 0.00156 0.00003 86 2PX -0.00186 0.00524 0.00497 -0.00102 -0.00697 87 2PY -0.00057 0.00022 0.00063 -0.00156 0.00135 88 2PZ -0.00048 0.00168 0.00143 0.00201 -0.00801 89 3S 0.00278 -0.00556 -0.01183 0.00972 -0.00514 90 3PX -0.00243 0.00495 0.00674 -0.00402 -0.00461 91 3PY -0.00033 0.00171 0.00378 -0.00215 0.00089 92 3PZ -0.00011 0.00178 0.00029 0.00348 -0.00841 93 4XX -0.00014 0.00027 0.00038 -0.00024 -0.00017 94 4YY -0.00001 -0.00017 -0.00031 -0.00004 0.00010 95 4ZZ -0.00005 0.00000 -0.00020 -0.00020 0.00011 96 4XY -0.00008 0.00017 0.00014 0.00006 -0.00029 97 4XZ -0.00009 0.00011 0.00022 -0.00024 -0.00014 98 4YZ -0.00010 0.00026 0.00037 -0.00019 -0.00024 99 11 C 1S 0.00031 -0.00014 -0.00106 0.00029 -0.00089 100 2S 0.00016 0.00011 0.00104 -0.00035 0.00172 101 2PX 0.00230 -0.00528 -0.00789 0.00362 0.00116 102 2PY -0.00028 0.00125 0.00129 0.00069 -0.00103 103 2PZ 0.00028 -0.00036 -0.00106 -0.00186 0.00273 104 3S -0.00426 0.00569 0.01576 -0.00791 0.01034 105 3PX 0.00078 -0.00093 -0.00106 -0.00267 0.00058 106 3PY -0.00192 0.00098 0.00454 0.00139 0.00639 107 3PZ 0.00078 -0.00391 -0.00863 0.00227 0.00421 108 4XX 0.00004 0.00020 -0.00021 0.00035 -0.00101 109 4YY 0.00013 -0.00018 -0.00006 -0.00002 0.00037 110 4ZZ 0.00003 0.00009 0.00010 -0.00026 0.00014 111 4XY 0.00003 0.00003 0.00012 0.00017 0.00013 112 4XZ -0.00016 0.00059 0.00040 -0.00029 -0.00018 113 4YZ -0.00007 0.00011 0.00005 -0.00002 0.00016 114 12 C 1S -0.00065 0.00156 0.00189 0.00001 0.00280 115 2S 0.00136 -0.00372 -0.00416 0.00041 -0.00422 116 2PX -0.00329 0.00906 0.00786 -0.00187 0.01833 117 2PY -0.00005 -0.00032 -0.00096 0.00004 0.00433 118 2PZ 0.00042 -0.00082 -0.00237 0.00246 -0.00494 119 3S 0.00214 -0.00212 -0.00323 -0.00567 -0.01748 120 3PX -0.00092 0.00274 0.00253 -0.00022 0.00967 121 3PY -0.00061 0.00099 0.00027 -0.00102 0.00548 122 3PZ -0.00087 0.00006 0.00166 0.00024 0.00070 123 4XX -0.00002 -0.00013 0.00008 0.00010 -0.00011 124 4YY 0.00007 -0.00026 -0.00029 -0.00006 0.00016 125 4ZZ -0.00007 0.00031 0.00045 -0.00004 0.00026 126 4XY 0.00013 -0.00022 -0.00040 0.00023 -0.00062 127 4XZ -0.00031 0.00060 0.00058 -0.00013 0.00055 128 4YZ 0.00004 -0.00002 -0.00003 -0.00015 0.00014 129 13 C 1S -0.00065 0.00156 0.00189 -0.00001 0.00280 130 2S 0.00136 -0.00372 -0.00416 -0.00040 -0.00422 131 2PX -0.00329 0.00906 0.00785 0.00183 0.01833 132 2PY 0.00005 0.00032 0.00097 0.00006 -0.00432 133 2PZ 0.00042 -0.00083 -0.00237 -0.00245 -0.00496 134 3S 0.00215 -0.00211 -0.00321 0.00570 -0.01752 135 3PX -0.00093 0.00274 0.00253 0.00021 0.00967 136 3PY 0.00061 -0.00100 -0.00027 -0.00102 -0.00547 137 3PZ -0.00086 0.00003 0.00163 -0.00025 0.00069 138 4XX -0.00002 -0.00013 0.00008 -0.00010 -0.00011 139 4YY 0.00007 -0.00026 -0.00029 0.00006 0.00016 140 4ZZ -0.00007 0.00031 0.00045 0.00004 0.00025 141 4XY -0.00013 0.00022 0.00040 0.00023 0.00061 142 4XZ -0.00031 0.00060 0.00058 0.00013 0.00055 143 4YZ -0.00004 0.00002 0.00003 -0.00015 -0.00015 144 14 C 1S 0.00031 -0.00014 -0.00106 -0.00029 -0.00089 145 2S 0.00016 0.00012 0.00104 0.00035 0.00171 146 2PX 0.00231 -0.00529 -0.00790 -0.00364 0.00117 147 2PY 0.00028 -0.00125 -0.00130 0.00068 0.00103 148 2PZ 0.00028 -0.00036 -0.00107 0.00185 0.00274 149 3S -0.00427 0.00569 0.01578 0.00790 0.01040 150 3PX 0.00077 -0.00091 -0.00102 0.00266 0.00061 151 3PY 0.00191 -0.00096 -0.00453 0.00143 -0.00643 152 3PZ 0.00079 -0.00392 -0.00867 -0.00229 0.00420 153 4XX 0.00004 0.00020 -0.00021 -0.00035 -0.00101 154 4YY 0.00013 -0.00018 -0.00006 0.00002 0.00037 155 4ZZ 0.00003 0.00009 0.00010 0.00026 0.00014 156 4XY -0.00003 -0.00003 -0.00012 0.00017 -0.00014 157 4XZ -0.00016 0.00059 0.00040 0.00029 -0.00019 158 4YZ 0.00007 -0.00011 -0.00005 -0.00002 -0.00016 159 15 C 1S -0.00034 0.00067 0.00090 0.00109 0.00032 160 2S 0.00050 -0.00179 -0.00226 -0.00157 0.00003 161 2PX -0.00187 0.00526 0.00498 0.00105 -0.00697 162 2PY 0.00057 -0.00021 -0.00063 -0.00156 -0.00135 163 2PZ -0.00049 0.00169 0.00144 -0.00200 -0.00801 164 3S 0.00279 -0.00557 -0.01186 -0.00972 -0.00520 165 3PX -0.00244 0.00497 0.00679 0.00405 -0.00458 166 3PY 0.00033 -0.00172 -0.00379 -0.00215 -0.00087 167 3PZ -0.00011 0.00179 0.00028 -0.00346 -0.00843 168 4XX -0.00014 0.00027 0.00038 0.00025 -0.00017 169 4YY -0.00001 -0.00017 -0.00030 0.00004 0.00010 170 4ZZ -0.00005 0.00000 -0.00020 0.00020 0.00011 171 4XY 0.00008 -0.00016 -0.00013 0.00006 0.00029 172 4XZ -0.00009 0.00011 0.00023 0.00024 -0.00014 173 4YZ 0.00010 -0.00026 -0.00037 -0.00019 0.00024 174 16 H 1S 0.00003 0.00031 0.00016 -0.00010 0.00118 175 2S -0.00020 0.00145 0.00178 -0.00108 0.00027 176 17 H 1S 0.00003 -0.00057 0.00048 -0.00079 0.00233 177 2S 0.00032 -0.00250 -0.00236 0.00310 0.00526 178 18 H 1S 0.00189 -0.00551 -0.00398 0.00121 -0.00843 179 2S 0.00272 -0.00662 -0.00749 0.00479 -0.00090 180 19 H 1S 0.00189 -0.00551 -0.00398 -0.00120 -0.00843 181 2S 0.00272 -0.00660 -0.00748 -0.00478 -0.00091 182 20 H 1S 0.00003 -0.00057 0.00048 0.00079 0.00234 183 2S 0.00032 -0.00251 -0.00236 -0.00312 0.00528 184 21 H 1S 0.00003 0.00031 0.00016 0.00010 0.00118 185 2S -0.00020 0.00145 0.00178 0.00108 0.00026 186 22 H 1S -0.00112 0.00309 0.00252 0.00028 0.00309 187 2S -0.00173 0.00488 0.00482 0.00067 0.00346 188 23 H 1S -0.00112 0.00309 0.00253 -0.00028 0.00309 189 2S -0.00173 0.00488 0.00484 -0.00067 0.00345 36 37 38 39 40 36 3S 0.23348 37 3PX -0.01607 0.06205 38 3PY -0.00003 0.00001 0.02606 39 3PZ 0.02152 0.00376 -0.00004 0.06494 40 4XX 0.00239 -0.00680 0.00000 0.00047 0.00335 41 4YY -0.01289 0.00513 0.00001 -0.00463 -0.00124 42 4ZZ 0.00320 0.00204 -0.00001 0.00358 -0.00166 43 4XY 0.00000 0.00000 0.00389 0.00000 0.00000 44 4XZ 0.00369 -0.00378 0.00000 0.00399 0.00011 45 4YZ -0.00002 0.00000 -0.00288 -0.00001 0.00000 46 4 O 1S 0.02924 0.00403 -0.00234 -0.00333 0.00248 47 2S -0.07391 -0.00863 0.00203 0.00686 -0.00540 48 2PX -0.03116 0.00240 -0.04758 0.06068 0.02408 49 2PY -0.09646 -0.05249 -0.01948 0.05197 -0.00103 50 2PZ 0.02261 0.04076 0.06249 0.03555 0.00834 51 3S -0.13768 -0.01708 -0.00630 0.01926 -0.00775 52 3PX -0.00867 0.00191 -0.02074 0.03706 0.01644 53 3PY -0.05611 -0.03033 -0.00878 0.03006 -0.00130 54 3PZ -0.00205 0.02001 0.03355 0.02618 0.00819 55 4XX 0.00126 -0.00281 -0.00040 0.00025 0.00094 56 4YY 0.00988 0.00396 0.00112 -0.00407 -0.00003 57 4ZZ 0.00117 0.00003 0.00048 0.00220 -0.00048 58 4XY 0.00446 -0.00214 0.00188 -0.00298 -0.00079 59 4XZ -0.00061 0.00170 0.00025 -0.00123 -0.00011 60 4YZ -0.00522 -0.00267 -0.00254 -0.00264 -0.00001 61 5 H 1S 0.02998 0.01340 0.02407 -0.00659 -0.00057 62 2S 0.02715 0.01775 0.02345 -0.00692 0.00091 63 6 H 1S 0.02999 0.01341 -0.02407 -0.00667 -0.00057 64 2S 0.02717 0.01776 -0.02344 -0.00701 0.00090 65 7 H 1S 0.11639 0.01750 -0.00009 0.08285 -0.01122 66 2S 0.04306 0.01690 -0.00005 0.04492 -0.01622 67 8 O 1S 0.02924 0.00402 0.00234 -0.00333 0.00248 68 2S -0.07391 -0.00862 -0.00203 0.00685 -0.00539 69 2PX -0.03116 0.00235 0.04745 0.06075 0.02408 70 2PY 0.09638 0.05243 -0.01926 -0.05205 0.00103 71 2PZ 0.02275 0.04084 -0.06256 0.03528 0.00835 72 3S -0.13767 -0.01707 0.00627 0.01927 -0.00774 73 3PX -0.00868 0.00188 0.02065 0.03709 0.01644 74 3PY 0.05609 0.03030 -0.00866 -0.03010 0.00130 75 3PZ -0.00197 0.02005 -0.03359 0.02602 0.00820 76 4XX 0.00126 -0.00281 0.00039 0.00025 0.00094 77 4YY 0.00986 0.00395 -0.00111 -0.00408 -0.00003 78 4ZZ 0.00119 0.00003 -0.00050 0.00221 -0.00048 79 4XY -0.00446 0.00213 0.00188 0.00299 0.00079 80 4XZ -0.00062 0.00170 -0.00024 -0.00123 -0.00011 81 4YZ 0.00523 0.00268 -0.00254 0.00262 0.00001 82 9 H 1S 0.10661 -0.09599 -0.00002 -0.00320 0.02033 83 2S 0.03009 -0.06959 -0.00001 0.00207 0.02111 84 10 C 1S 0.00165 -0.00030 -0.00028 -0.00027 -0.00023 85 2S -0.00331 0.00055 0.00056 0.00123 0.00067 86 2PX 0.01100 0.00236 -0.00139 -0.01150 -0.00161 87 2PY 0.00436 0.00138 -0.00024 0.00190 -0.00012 88 2PZ 0.00234 0.00357 -0.00165 -0.00959 -0.00048 89 3S -0.00760 -0.00089 -0.00171 0.00305 0.00205 90 3PX 0.00952 0.00233 -0.00065 -0.01171 -0.00193 91 3PY 0.00351 0.00133 -0.00043 0.00034 -0.00033 92 3PZ 0.00352 0.00239 -0.00241 -0.00790 -0.00016 93 4XX 0.00052 0.00000 0.00004 -0.00057 -0.00011 94 4YY -0.00031 0.00001 0.00003 0.00029 0.00009 95 4ZZ -0.00026 -0.00012 -0.00003 0.00067 0.00013 96 4XY 0.00027 0.00013 0.00009 -0.00047 -0.00005 97 4XZ 0.00021 0.00011 -0.00008 -0.00021 -0.00004 98 4YZ 0.00048 0.00014 0.00011 -0.00057 -0.00009 99 11 C 1S -0.00167 -0.00070 -0.00010 -0.00013 0.00047 100 2S -0.00067 -0.00067 0.00080 0.00145 -0.00028 101 2PX -0.01412 -0.00053 -0.00121 0.01061 0.00260 102 2PY 0.00313 -0.00011 -0.00034 -0.00170 -0.00032 103 2PZ -0.00051 -0.00160 -0.00116 0.00865 0.00062 104 3S 0.00771 0.00050 0.00407 -0.00683 -0.00397 105 3PX -0.00512 0.00104 -0.00170 0.00526 0.00129 106 3PY 0.00323 -0.00154 0.00207 -0.00532 -0.00246 107 3PZ -0.00671 -0.00250 -0.00056 0.00991 0.00156 108 4XX 0.00069 0.00030 -0.00023 -0.00113 0.00006 109 4YY -0.00020 0.00012 0.00008 0.00041 0.00002 110 4ZZ -0.00002 -0.00010 -0.00009 0.00050 0.00004 111 4XY -0.00016 0.00009 0.00006 0.00026 0.00004 112 4XZ 0.00112 0.00002 -0.00014 -0.00024 -0.00007 113 4YZ 0.00013 0.00009 0.00004 0.00028 0.00002 114 12 C 1S 0.00356 -0.00052 0.00086 0.00190 -0.00032 115 2S -0.00478 0.00168 -0.00110 -0.00206 0.00025 116 2PX 0.01117 -0.00735 0.00493 0.01919 -0.00064 117 2PY 0.00020 0.00475 0.00070 0.00416 0.00036 118 2PZ -0.00240 -0.00092 0.00068 -0.00708 0.00001 119 3S -0.00294 0.00221 -0.00041 -0.00572 0.00117 120 3PX 0.00371 -0.00300 -0.00016 0.01055 0.00002 121 3PY 0.00052 0.00295 -0.00062 0.00459 0.00041 122 3PZ 0.00041 -0.00091 0.00171 -0.00643 -0.00132 123 4XX -0.00031 0.00023 -0.00022 -0.00043 0.00004 124 4YY -0.00036 0.00004 -0.00001 0.00024 0.00000 125 4ZZ 0.00070 -0.00034 0.00011 -0.00014 -0.00014 126 4XY -0.00022 -0.00002 -0.00030 -0.00032 0.00004 127 4XZ 0.00098 -0.00021 0.00028 0.00007 -0.00008 128 4YZ -0.00007 0.00001 -0.00003 0.00027 0.00003 129 13 C 1S 0.00356 -0.00052 -0.00086 0.00189 -0.00032 130 2S -0.00478 0.00167 0.00110 -0.00206 0.00025 131 2PX 0.01117 -0.00735 -0.00497 0.01918 -0.00064 132 2PY -0.00019 -0.00476 0.00071 -0.00414 -0.00036 133 2PZ -0.00240 -0.00092 -0.00066 -0.00711 0.00001 134 3S -0.00294 0.00224 0.00042 -0.00571 0.00118 135 3PX 0.00370 -0.00300 0.00014 0.01056 0.00002 136 3PY -0.00052 -0.00296 -0.00060 -0.00458 -0.00041 137 3PZ 0.00039 -0.00093 -0.00170 -0.00646 -0.00132 138 4XX -0.00031 0.00023 0.00022 -0.00043 0.00004 139 4YY -0.00036 0.00004 0.00001 0.00024 0.00000 140 4ZZ 0.00070 -0.00033 -0.00011 -0.00014 -0.00014 141 4XY 0.00022 0.00002 -0.00030 0.00032 -0.00004 142 4XZ 0.00098 -0.00021 -0.00028 0.00007 -0.00008 143 4YZ 0.00006 0.00000 -0.00003 -0.00027 -0.00003 144 14 C 1S -0.00167 -0.00070 0.00010 -0.00012 0.00047 145 2S -0.00067 -0.00066 -0.00080 0.00144 -0.00028 146 2PX -0.01411 -0.00055 0.00117 0.01063 0.00261 147 2PY -0.00313 0.00011 -0.00035 0.00170 0.00032 148 2PZ -0.00050 -0.00162 0.00114 0.00865 0.00062 149 3S 0.00770 0.00048 -0.00406 -0.00687 -0.00399 150 3PX -0.00507 0.00104 0.00167 0.00524 0.00129 151 3PY -0.00321 0.00156 0.00206 0.00534 0.00246 152 3PZ -0.00671 -0.00252 0.00053 0.00993 0.00156 153 4XX 0.00069 0.00030 0.00023 -0.00113 0.00006 154 4YY -0.00020 0.00012 -0.00009 0.00041 0.00002 155 4ZZ -0.00002 -0.00010 0.00009 0.00050 0.00004 156 4XY 0.00016 -0.00009 0.00006 -0.00026 -0.00004 157 4XZ 0.00113 0.00002 0.00014 -0.00024 -0.00007 158 4YZ -0.00013 -0.00009 0.00004 -0.00028 -0.00002 159 15 C 1S 0.00165 -0.00030 0.00028 -0.00027 -0.00023 160 2S -0.00332 0.00055 -0.00057 0.00123 0.00067 161 2PX 0.01105 0.00235 0.00143 -0.01152 -0.00161 162 2PY -0.00435 -0.00139 -0.00024 -0.00190 0.00012 163 2PZ 0.00236 0.00356 0.00168 -0.00959 -0.00048 164 3S -0.00762 -0.00087 0.00170 0.00310 0.00207 165 3PX 0.00958 0.00232 0.00069 -0.01176 -0.00195 166 3PY -0.00351 -0.00135 -0.00043 -0.00035 0.00033 167 3PZ 0.00354 0.00239 0.00244 -0.00790 -0.00015 168 4XX 0.00052 0.00000 -0.00003 -0.00058 -0.00011 169 4YY -0.00031 0.00001 -0.00003 0.00029 0.00009 170 4ZZ -0.00026 -0.00012 0.00002 0.00067 0.00013 171 4XY -0.00027 -0.00013 0.00009 0.00046 0.00005 172 4XZ 0.00021 0.00011 0.00008 -0.00021 -0.00004 173 4YZ -0.00048 -0.00014 0.00011 0.00057 0.00009 174 16 H 1S 0.00014 -0.00114 0.00068 0.00049 -0.00009 175 2S 0.00175 -0.00061 0.00008 0.00033 -0.00015 176 17 H 1S -0.00147 0.00031 0.00086 0.00146 -0.00016 177 2S -0.00318 -0.00077 0.00099 0.00219 -0.00032 178 18 H 1S -0.00813 0.00445 -0.00431 -0.00992 0.00060 179 2S -0.01073 0.00291 -0.00729 0.00070 0.00161 180 19 H 1S -0.00813 0.00445 0.00432 -0.00991 0.00060 181 2S -0.01071 0.00292 0.00729 0.00070 0.00160 182 20 H 1S -0.00148 0.00031 -0.00086 0.00146 -0.00016 183 2S -0.00319 -0.00078 -0.00100 0.00219 -0.00032 184 21 H 1S 0.00014 -0.00114 -0.00068 0.00049 -0.00009 185 2S 0.00175 -0.00061 -0.00008 0.00033 -0.00015 186 22 H 1S 0.00385 -0.00343 0.00247 0.00143 -0.00055 187 2S 0.00721 -0.00267 0.00304 -0.00120 -0.00102 188 23 H 1S 0.00385 -0.00343 -0.00247 0.00142 -0.00055 189 2S 0.00721 -0.00265 -0.00302 -0.00121 -0.00102 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00138 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ -0.00051 0.00014 0.00000 0.00106 45 4YZ 0.00000 0.00000 -0.00102 0.00000 0.00274 46 4 O 1S -0.00616 0.00217 -0.00392 0.00149 0.00457 47 2S 0.01473 -0.00419 0.00925 -0.00367 -0.01103 48 2PX -0.01381 -0.00778 0.00689 -0.00132 0.01702 49 2PY 0.00400 -0.00102 -0.01988 0.01284 0.02150 50 2PZ 0.01596 -0.02692 0.01747 0.00137 0.00896 51 3S 0.02323 -0.00868 0.00751 -0.00154 -0.00923 52 3PX -0.00751 -0.00796 0.00701 -0.00096 0.01035 53 3PY 0.00298 -0.00064 -0.01255 0.00775 0.01359 54 3PZ 0.00988 -0.01913 0.01067 0.00090 0.00792 55 4XX -0.00058 -0.00039 0.00007 0.00035 0.00048 56 4YY -0.00031 0.00013 0.00082 -0.00098 -0.00102 57 4ZZ -0.00043 0.00081 -0.00037 0.00037 0.00007 58 4XY 0.00054 0.00004 -0.00053 0.00029 -0.00044 59 4XZ 0.00031 -0.00027 -0.00012 -0.00004 0.00032 60 4YZ -0.00059 0.00083 -0.00065 -0.00020 -0.00038 61 5 H 1S 0.00081 -0.00195 0.00002 0.00069 0.00063 62 2S 0.00129 -0.00371 -0.00014 -0.00044 0.00038 63 6 H 1S 0.00081 -0.00195 -0.00002 0.00069 -0.00062 64 2S 0.00129 -0.00370 0.00015 -0.00044 -0.00037 65 7 H 1S -0.01262 0.02042 -0.00001 0.00573 -0.00004 66 2S -0.00902 0.02417 -0.00001 0.00382 -0.00004 67 8 O 1S -0.00615 0.00216 0.00392 0.00149 -0.00459 68 2S 0.01469 -0.00416 -0.00924 -0.00369 0.01107 69 2PX -0.01376 -0.00783 -0.00687 -0.00133 -0.01704 70 2PY -0.00409 0.00114 -0.01983 -0.01288 0.02150 71 2PZ 0.01597 -0.02693 -0.01750 0.00132 -0.00882 72 3S 0.02321 -0.00866 -0.00751 -0.00156 0.00929 73 3PX -0.00748 -0.00799 -0.00699 -0.00097 -0.01035 74 3PY -0.00303 0.00072 -0.01252 -0.00777 0.01359 75 3PZ 0.00989 -0.01914 -0.01069 0.00087 -0.00782 76 4XX -0.00058 -0.00039 -0.00007 0.00035 -0.00048 77 4YY -0.00031 0.00013 -0.00082 -0.00098 0.00102 78 4ZZ -0.00042 0.00081 0.00036 0.00037 -0.00007 79 4XY -0.00053 -0.00004 -0.00052 -0.00029 -0.00044 80 4XZ 0.00031 -0.00027 0.00012 -0.00004 -0.00032 81 4YZ 0.00060 -0.00083 -0.00065 0.00020 -0.00038 82 9 H 1S -0.01191 -0.01176 0.00000 0.00524 0.00000 83 2S -0.00689 -0.01530 0.00001 0.00339 0.00001 84 10 C 1S 0.00009 0.00007 0.00002 0.00002 0.00011 85 2S -0.00031 -0.00029 -0.00031 -0.00015 -0.00011 86 2PX 0.00024 0.00126 -0.00120 0.00061 -0.00132 87 2PY 0.00000 -0.00012 0.00028 -0.00025 0.00029 88 2PZ 0.00004 0.00030 -0.00135 0.00047 -0.00148 89 3S 0.00078 -0.00280 0.00118 0.00047 -0.00188 90 3PX -0.00018 0.00201 -0.00160 0.00030 -0.00041 91 3PY -0.00022 0.00042 0.00109 -0.00027 0.00074 92 3PZ 0.00015 -0.00013 -0.00083 0.00039 -0.00205 93 4XX 0.00000 0.00010 0.00006 0.00001 0.00009 94 4YY -0.00002 -0.00006 -0.00004 -0.00002 -0.00003 95 4ZZ 0.00000 -0.00011 -0.00008 -0.00001 -0.00004 96 4XY 0.00001 0.00004 0.00006 0.00002 0.00007 97 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 98 4YZ -0.00002 0.00010 0.00010 0.00001 0.00012 99 11 C 1S 0.00012 -0.00034 -0.00036 0.00011 -0.00050 100 2S -0.00014 0.00032 0.00074 -0.00015 0.00078 101 2PX 0.00035 -0.00261 -0.00234 0.00004 -0.00242 102 2PY -0.00024 0.00052 0.00068 0.00016 0.00047 103 2PZ 0.00036 -0.00089 -0.00100 0.00005 -0.00097 104 3S -0.00117 0.00502 0.00072 -0.00051 0.00381 105 3PX -0.00005 -0.00110 -0.00172 -0.00014 -0.00104 106 3PY -0.00051 0.00301 0.00061 0.00009 0.00135 107 3PZ 0.00071 -0.00210 -0.00133 0.00040 -0.00158 108 4XX -0.00003 -0.00004 -0.00015 0.00006 -0.00024 109 4YY 0.00002 -0.00004 0.00002 -0.00002 0.00002 110 4ZZ 0.00002 -0.00008 0.00010 -0.00001 0.00009 111 4XY -0.00003 -0.00001 0.00001 -0.00002 0.00000 112 4XZ 0.00003 0.00000 -0.00004 0.00002 -0.00009 113 4YZ 0.00000 -0.00001 0.00001 0.00000 0.00001 114 12 C 1S -0.00006 0.00026 -0.00015 -0.00001 -0.00031 115 2S 0.00027 -0.00041 0.00060 0.00004 0.00062 116 2PX -0.00022 0.00038 -0.00009 -0.00050 -0.00027 117 2PY 0.00026 -0.00035 -0.00014 -0.00006 -0.00019 118 2PZ -0.00012 -0.00005 -0.00029 -0.00002 -0.00046 119 3S -0.00037 -0.00067 0.00087 -0.00078 0.00190 120 3PX 0.00007 -0.00031 -0.00002 -0.00006 -0.00109 121 3PY 0.00036 -0.00069 -0.00095 0.00017 -0.00100 122 3PZ -0.00059 0.00184 0.00079 -0.00014 0.00153 123 4XX -0.00002 -0.00001 -0.00006 0.00002 -0.00005 124 4YY 0.00003 -0.00002 -0.00003 0.00000 -0.00004 125 4ZZ -0.00003 0.00014 0.00009 -0.00001 0.00005 126 4XY 0.00002 -0.00004 0.00003 0.00000 0.00003 127 4XZ -0.00005 0.00010 0.00001 -0.00002 0.00002 128 4YZ 0.00002 -0.00005 0.00001 0.00000 0.00002 129 13 C 1S -0.00006 0.00026 0.00015 -0.00001 0.00031 130 2S 0.00027 -0.00041 -0.00060 0.00004 -0.00062 131 2PX -0.00022 0.00038 0.00009 -0.00050 0.00027 132 2PY -0.00026 0.00035 -0.00014 0.00006 -0.00019 133 2PZ -0.00012 -0.00005 0.00029 -0.00002 0.00046 134 3S -0.00037 -0.00069 -0.00087 -0.00079 -0.00189 135 3PX 0.00006 -0.00030 0.00002 -0.00006 0.00109 136 3PY -0.00036 0.00068 -0.00095 -0.00017 -0.00100 137 3PZ -0.00059 0.00184 -0.00079 -0.00014 -0.00153 138 4XX -0.00002 -0.00001 0.00006 0.00002 0.00005 139 4YY 0.00003 -0.00002 0.00003 0.00000 0.00004 140 4ZZ -0.00003 0.00014 -0.00009 -0.00001 -0.00005 141 4XY -0.00002 0.00004 0.00003 0.00000 0.00003 142 4XZ -0.00005 0.00010 -0.00001 -0.00002 -0.00002 143 4YZ -0.00002 0.00005 0.00001 0.00000 0.00002 144 14 C 1S 0.00012 -0.00034 0.00036 0.00011 0.00050 145 2S -0.00013 0.00032 -0.00075 -0.00015 -0.00078 146 2PX 0.00034 -0.00260 0.00234 0.00004 0.00242 147 2PY 0.00024 -0.00051 0.00068 -0.00016 0.00047 148 2PZ 0.00036 -0.00089 0.00100 0.00005 0.00097 149 3S -0.00117 0.00504 -0.00072 -0.00051 -0.00384 150 3PX -0.00005 -0.00109 0.00172 -0.00013 0.00104 151 3PY 0.00051 -0.00302 0.00061 -0.00009 0.00135 152 3PZ 0.00071 -0.00210 0.00133 0.00040 0.00158 153 4XX -0.00003 -0.00004 0.00015 0.00006 0.00024 154 4YY 0.00002 -0.00004 -0.00002 -0.00002 -0.00002 155 4ZZ 0.00002 -0.00008 -0.00010 -0.00001 -0.00009 156 4XY 0.00003 0.00001 0.00001 0.00002 0.00000 157 4XZ 0.00003 0.00000 0.00004 0.00002 0.00009 158 4YZ 0.00000 0.00001 0.00001 0.00000 0.00001 159 15 C 1S 0.00009 0.00007 -0.00002 0.00002 -0.00011 160 2S -0.00031 -0.00029 0.00031 -0.00015 0.00011 161 2PX 0.00023 0.00127 0.00120 0.00061 0.00132 162 2PY -0.00001 0.00012 0.00028 0.00025 0.00029 163 2PZ 0.00004 0.00031 0.00135 0.00047 0.00149 164 3S 0.00078 -0.00282 -0.00118 0.00047 0.00190 165 3PX -0.00019 0.00203 0.00160 0.00030 0.00040 166 3PY 0.00022 -0.00041 0.00109 0.00028 0.00074 167 3PZ 0.00015 -0.00013 0.00084 0.00039 0.00206 168 4XX 0.00000 0.00010 -0.00006 0.00001 -0.00009 169 4YY -0.00002 -0.00006 0.00004 -0.00002 0.00003 170 4ZZ 0.00000 -0.00011 0.00008 -0.00001 0.00004 171 4XY -0.00001 -0.00004 0.00006 -0.00002 0.00007 172 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 173 4YZ 0.00002 -0.00009 0.00010 -0.00001 0.00012 174 16 H 1S -0.00008 0.00028 0.00019 0.00003 0.00017 175 2S -0.00005 0.00025 0.00050 0.00001 0.00019 176 17 H 1S 0.00008 0.00006 0.00003 -0.00021 0.00029 177 2S 0.00021 0.00021 -0.00011 0.00000 -0.00036 178 18 H 1S 0.00010 -0.00050 -0.00027 0.00039 -0.00016 179 2S 0.00113 -0.00257 -0.00147 0.00094 -0.00313 180 19 H 1S 0.00010 -0.00049 0.00027 0.00039 0.00016 181 2S 0.00112 -0.00256 0.00147 0.00094 0.00314 182 20 H 1S 0.00008 0.00006 -0.00003 -0.00021 -0.00029 183 2S 0.00021 0.00022 0.00011 0.00000 0.00036 184 21 H 1S -0.00008 0.00028 -0.00019 0.00003 -0.00017 185 2S -0.00005 0.00025 -0.00050 0.00001 -0.00019 186 22 H 1S -0.00024 0.00047 0.00017 -0.00018 0.00005 187 2S -0.00017 0.00082 -0.00030 0.00000 -0.00052 188 23 H 1S -0.00024 0.00047 -0.00017 -0.00018 -0.00005 189 2S -0.00017 0.00083 0.00030 0.00000 0.00052 46 47 48 49 50 46 4 O 1S 2.07557 47 2S -0.17799 0.50358 48 2PX 0.01251 -0.02849 0.64786 49 2PY -0.03972 0.07464 -0.02603 0.66548 50 2PZ -0.00482 0.00383 0.13784 0.04096 0.71669 51 3S -0.24523 0.59250 -0.04939 0.21995 0.05290 52 3PX 0.00937 -0.02091 0.40595 -0.03508 0.15868 53 3PY -0.02573 0.04922 -0.03555 0.42224 0.03767 54 3PZ -0.00455 0.00468 0.14598 0.04615 0.46301 55 4XX -0.01520 -0.00285 0.01348 0.00530 0.00323 56 4YY -0.01268 -0.00833 -0.00248 -0.04104 -0.00243 57 4ZZ -0.01397 -0.00548 -0.00534 0.00589 -0.00735 58 4XY -0.00150 0.00344 -0.02795 0.00808 -0.00450 59 4XZ 0.00371 -0.00792 -0.00240 0.00090 0.00742 60 4YZ 0.00140 -0.00292 -0.00401 -0.00310 -0.02923 61 5 H 1S 0.01458 -0.02980 -0.01397 -0.01739 0.04334 62 2S 0.01570 -0.03184 -0.01590 -0.02199 0.07317 63 6 H 1S -0.00352 0.00990 0.02876 -0.01996 -0.00591 64 2S -0.00323 0.00967 0.05948 -0.04330 0.00645 65 7 H 1S 0.00889 -0.02015 -0.02514 0.01458 -0.07388 66 2S 0.00532 -0.01017 -0.08188 0.02805 -0.15914 67 8 O 1S 0.00092 -0.00175 0.00452 -0.01104 -0.00934 68 2S -0.00175 0.00434 -0.00773 0.02886 0.01776 69 2PX 0.00451 -0.00771 0.00554 0.00088 0.01622 70 2PY 0.01105 -0.02889 -0.00097 0.13550 0.00586 71 2PZ -0.00931 0.01772 0.01627 -0.00559 0.00702 72 3S -0.01295 0.02677 -0.03680 0.05938 0.07080 73 3PX 0.00662 -0.01437 0.00627 0.00132 0.00568 74 3PY 0.00454 -0.01242 -0.00196 0.10448 0.01094 75 3PZ -0.01027 0.02058 0.01000 -0.00165 0.01672 76 4XX 0.00031 -0.00032 0.00140 0.00226 -0.00269 77 4YY 0.00035 -0.00120 -0.00051 -0.00223 0.00072 78 4ZZ -0.00024 0.00068 0.00158 0.00197 -0.00342 79 4XY 0.00079 -0.00193 0.00037 0.00332 0.00070 80 4XZ -0.00022 0.00068 -0.00132 -0.00299 0.00072 81 4YZ -0.00075 0.00177 0.00019 -0.00195 0.00060 82 9 H 1S 0.01026 -0.02490 0.06500 0.01385 0.02896 83 2S 0.00569 -0.01481 0.11696 0.03133 0.07579 84 10 C 1S 0.00003 0.00010 -0.00146 0.00082 -0.00083 85 2S 0.00038 -0.00105 0.00393 0.00067 0.00298 86 2PX 0.00239 -0.00426 -0.04298 -0.00099 -0.03254 87 2PY -0.00041 0.00031 0.00709 -0.00082 0.00410 88 2PZ 0.00198 -0.00298 -0.03009 -0.00197 -0.02199 89 3S -0.00543 0.01365 0.02263 -0.01673 0.01033 90 3PX 0.00315 -0.00674 -0.04378 0.00770 -0.03146 91 3PY -0.00232 0.00620 0.01543 -0.00395 0.00328 92 3PZ 0.00044 0.00085 -0.02316 -0.01232 -0.02613 93 4XX 0.00000 0.00009 -0.00031 0.00001 -0.00068 94 4YY -0.00004 0.00004 0.00041 0.00024 0.00034 95 4ZZ 0.00000 -0.00011 0.00058 0.00028 0.00066 96 4XY 0.00015 -0.00016 0.00003 -0.00001 0.00025 97 4XZ 0.00004 -0.00009 -0.00051 0.00026 -0.00007 98 4YZ 0.00002 0.00007 0.00033 -0.00006 -0.00020 99 11 C 1S -0.00022 -0.00032 -0.00195 0.00012 -0.00038 100 2S -0.00083 0.00189 0.01051 -0.00069 0.00617 101 2PX 0.00029 -0.00260 -0.00513 0.00505 0.01084 102 2PY -0.00057 0.00159 0.00636 -0.00591 -0.00505 103 2PZ -0.00037 -0.00240 -0.00385 0.00206 0.00365 104 3S 0.00478 -0.01174 -0.01335 0.01501 -0.00932 105 3PX -0.00035 -0.00061 -0.00596 0.01028 0.00680 106 3PY 0.00293 -0.00710 -0.01712 0.00352 -0.01285 107 3PZ -0.00037 -0.00262 -0.00465 0.00624 0.01132 108 4XX 0.00005 0.00009 -0.00283 -0.00057 -0.00299 109 4YY -0.00013 0.00025 0.00074 0.00051 0.00126 110 4ZZ -0.00024 0.00047 0.00252 -0.00016 0.00185 111 4XY -0.00001 0.00007 0.00087 -0.00024 0.00054 112 4XZ 0.00001 0.00013 -0.00148 -0.00050 -0.00179 113 4YZ -0.00001 -0.00003 0.00035 0.00001 0.00037 114 12 C 1S 0.00035 -0.00037 -0.00403 -0.00108 -0.00486 115 2S -0.00090 0.00121 0.00893 0.00202 0.01104 116 2PX 0.00001 -0.00059 0.00209 -0.00350 -0.00419 117 2PY -0.00021 0.00149 -0.00084 0.00314 0.00134 118 2PZ 0.00074 -0.00001 -0.00991 -0.00003 -0.00774 119 3S -0.00140 0.00521 0.02568 0.00377 0.01636 120 3PX -0.00066 0.00117 0.00457 -0.01137 -0.00985 121 3PY -0.00032 0.00171 -0.00796 0.00147 -0.00791 122 3PZ 0.00120 -0.00313 -0.00205 0.00659 0.00189 123 4XX 0.00004 -0.00018 -0.00035 0.00002 -0.00015 124 4YY -0.00004 0.00000 -0.00056 0.00024 -0.00030 125 4ZZ -0.00007 0.00014 -0.00002 -0.00066 -0.00126 126 4XY -0.00020 0.00047 0.00080 0.00022 0.00112 127 4XZ 0.00011 -0.00016 -0.00059 -0.00033 -0.00133 128 4YZ -0.00014 0.00015 0.00081 0.00016 0.00077 129 13 C 1S -0.00055 0.00228 0.00379 0.00113 0.00311 130 2S 0.00098 -0.00251 -0.01216 0.00119 -0.00877 131 2PX -0.00447 0.00960 0.01821 0.00503 0.02212 132 2PY 0.00124 -0.00339 -0.00614 -0.00450 -0.00843 133 2PZ -0.00164 0.00098 0.00591 -0.00075 -0.00285 134 3S 0.00838 -0.01857 -0.01243 -0.03109 -0.02058 135 3PX -0.00231 0.00415 0.01345 0.01806 0.03044 136 3PY 0.00264 -0.00503 -0.01905 -0.00888 -0.03005 137 3PZ 0.00095 -0.00117 -0.02779 -0.01358 -0.04829 138 4XX 0.00014 -0.00029 0.00092 -0.00024 0.00025 139 4YY -0.00007 0.00012 0.00022 0.00054 0.00078 140 4ZZ 0.00013 -0.00040 -0.00224 0.00010 -0.00181 141 4XY -0.00014 0.00034 0.00076 0.00014 0.00109 142 4XZ -0.00013 0.00031 0.00009 -0.00041 -0.00039 143 4YZ -0.00001 -0.00010 -0.00011 -0.00023 -0.00069 144 14 C 1S -0.00006 0.00144 0.00873 0.00185 0.00817 145 2S 0.00125 -0.00358 -0.01383 -0.00158 -0.00917 146 2PX -0.00405 0.00924 0.06017 0.00855 0.05230 147 2PY -0.00016 0.00011 0.01144 -0.00102 0.01310 148 2PZ 0.00063 0.00160 0.01990 0.00432 0.02772 149 3S -0.00072 0.00712 -0.06028 -0.03800 -0.09401 150 3PX 0.00230 -0.00370 0.03299 -0.01212 0.02373 151 3PY 0.00276 -0.00819 0.03530 0.00543 0.05517 152 3PZ -0.00411 0.00913 0.03605 0.01761 0.04427 153 4XX 0.00035 -0.00046 0.00294 0.00031 0.00201 154 4YY 0.00017 -0.00051 -0.00017 0.00000 0.00057 155 4ZZ 0.00017 -0.00055 -0.00088 0.00001 0.00046 156 4XY 0.00005 -0.00017 -0.00094 0.00031 0.00013 157 4XZ 0.00011 -0.00025 0.00017 0.00046 0.00175 158 4YZ 0.00000 -0.00013 -0.00009 -0.00005 -0.00007 159 15 C 1S 0.00025 -0.00130 -0.00318 -0.00082 -0.00062 160 2S -0.00140 0.00318 0.01247 -0.00223 0.00104 161 2PX 0.00322 -0.00264 -0.00855 0.00005 -0.00173 162 2PY -0.00047 0.00154 0.00185 0.00070 -0.00194 163 2PZ 0.00086 0.00028 0.00691 0.00066 0.00447 164 3S 0.00078 -0.00744 0.01279 0.03841 0.04591 165 3PX 0.00142 0.00209 -0.00825 -0.01578 -0.02065 166 3PY -0.00426 0.00990 0.01624 0.00469 0.00921 167 3PZ 0.00192 -0.00329 0.00868 0.01120 0.01861 168 4XX 0.00007 -0.00017 -0.00236 -0.00046 -0.00184 169 4YY -0.00006 0.00022 0.00167 -0.00015 0.00099 170 4ZZ -0.00013 0.00056 0.00254 -0.00020 0.00209 171 4XY 0.00001 0.00003 0.00169 0.00006 0.00139 172 4XZ 0.00007 -0.00008 -0.00035 -0.00047 -0.00009 173 4YZ -0.00018 0.00030 0.00253 0.00051 0.00235 174 16 H 1S -0.00010 0.00005 0.00034 -0.00007 -0.00141 175 2S -0.00077 0.00191 0.00460 -0.00423 -0.00301 176 17 H 1S 0.00027 -0.00065 0.00042 0.00412 0.00615 177 2S 0.00065 -0.00183 -0.00849 0.00307 0.00136 178 18 H 1S -0.00029 0.00059 0.00035 0.00238 0.00407 179 2S -0.00186 0.00406 -0.00764 -0.00835 -0.00689 180 19 H 1S 0.00247 -0.00571 -0.00294 -0.00146 -0.00482 181 2S -0.00390 0.00520 0.03403 0.03717 0.06462 182 20 H 1S 0.00030 -0.00116 -0.00315 -0.00246 -0.00083 183 2S -0.00252 0.00540 0.00050 0.00906 -0.00039 184 21 H 1S 0.00019 0.00028 -0.00314 0.00017 -0.00405 185 2S 0.00148 -0.00270 -0.00739 0.00120 -0.00147 186 22 H 1S 0.00058 -0.00069 -0.00313 -0.00274 -0.00692 187 2S 0.00121 -0.00103 -0.01763 -0.00412 -0.02055 188 23 H 1S -0.00177 0.00218 0.00117 -0.00040 -0.00143 189 2S -0.00269 0.00416 0.00434 0.00206 0.00444 51 52 53 54 55 51 3S 0.75617 52 3PX -0.03227 0.26575 53 3PY 0.14003 -0.03243 0.26973 54 3PZ 0.04146 0.13777 0.03457 0.30867 55 4XX -0.00420 0.00785 0.00285 0.00301 0.00104 56 4YY -0.01835 -0.00028 -0.02559 -0.00326 -0.00033 57 4ZZ -0.00647 -0.00401 0.00371 -0.00474 0.00002 58 4XY 0.00491 -0.01726 0.00594 -0.00505 -0.00037 59 4XZ -0.00741 -0.00078 0.00087 0.00424 -0.00009 60 4YZ -0.00414 -0.00508 -0.00254 -0.01812 -0.00023 61 5 H 1S -0.07739 -0.00235 -0.00925 0.03209 0.00288 62 2S -0.06861 0.00180 -0.01055 0.04926 0.00108 63 6 H 1S 0.01896 0.02011 -0.01569 -0.00334 -0.00004 64 2S 0.01360 0.04088 -0.03100 0.00713 0.00016 65 7 H 1S -0.04559 -0.02839 0.00980 -0.06367 -0.00188 66 2S -0.02892 -0.07367 0.01843 -0.12025 -0.00272 67 8 O 1S -0.01294 0.00662 -0.00453 -0.01028 0.00031 68 2S 0.02674 -0.01439 0.01239 0.02059 -0.00032 69 2PX -0.03681 0.00625 0.00190 0.00997 0.00140 70 2PY -0.05941 -0.00137 0.10448 0.00182 -0.00226 71 2PZ 0.07057 0.00569 -0.01073 0.01672 -0.00269 72 3S 0.08395 -0.02856 0.02902 0.05957 -0.00148 73 3PX -0.02856 0.00660 0.00114 0.00632 0.00031 74 3PY -0.02905 -0.00118 0.07828 0.00624 -0.00118 75 3PZ 0.05942 0.00632 -0.00611 0.02061 -0.00183 76 4XX -0.00148 0.00031 0.00118 -0.00184 0.00050 77 4YY -0.00514 0.00009 -0.00014 -0.00022 -0.00026 78 4ZZ 0.00136 0.00074 0.00093 -0.00230 -0.00004 79 4XY -0.00244 -0.00007 0.00244 0.00041 -0.00010 80 4XZ 0.00058 -0.00070 -0.00179 0.00023 -0.00005 81 4YZ 0.00256 -0.00036 -0.00156 0.00015 0.00000 82 9 H 1S -0.04015 0.05427 0.00598 0.03098 0.00638 83 2S -0.01084 0.08766 0.01557 0.06857 0.00588 84 10 C 1S -0.00062 -0.00134 0.00076 -0.00103 0.00009 85 2S -0.00216 0.00261 0.00013 0.00347 -0.00010 86 2PX -0.01713 -0.03875 -0.00028 -0.03007 0.00275 87 2PY 0.00388 0.00824 -0.00032 0.00420 -0.00069 88 2PZ -0.01807 -0.03028 -0.00154 -0.01978 0.00236 89 3S 0.01895 0.01846 -0.01304 0.01202 -0.00048 90 3PX -0.01954 -0.03914 0.00586 -0.02948 0.00241 91 3PY 0.00642 0.01303 -0.00226 0.00467 -0.00063 92 3PZ -0.00832 -0.02229 -0.00873 -0.02174 0.00160 93 4XX -0.00044 -0.00021 0.00012 -0.00053 0.00002 94 4YY 0.00028 0.00031 0.00018 0.00031 -0.00002 95 4ZZ 0.00054 0.00046 0.00004 0.00051 -0.00001 96 4XY -0.00179 -0.00025 0.00020 0.00043 0.00007 97 4XZ -0.00022 -0.00043 0.00024 -0.00015 0.00002 98 4YZ -0.00067 0.00025 0.00007 -0.00008 0.00004 99 11 C 1S 0.00417 -0.00086 -0.00084 -0.00100 0.00013 100 2S 0.00261 0.00949 -0.00064 0.00694 -0.00070 101 2PX 0.00465 -0.00801 0.00068 0.00651 0.00054 102 2PY 0.00353 0.00668 -0.00533 -0.00313 -0.00032 103 2PZ 0.01627 -0.00036 -0.00212 0.00011 -0.00035 104 3S -0.02203 -0.00986 0.01201 -0.00804 -0.00027 105 3PX 0.00579 -0.00762 0.00555 0.00209 0.00061 106 3PY -0.01076 -0.01264 0.00297 -0.01195 0.00014 107 3PZ 0.01414 -0.00164 0.00117 0.00635 -0.00022 108 4XX -0.00127 -0.00284 -0.00037 -0.00270 0.00027 109 4YY 0.00029 0.00057 0.00046 0.00101 -0.00002 110 4ZZ 0.00151 0.00228 -0.00020 0.00155 -0.00012 111 4XY -0.00020 0.00058 -0.00018 0.00056 -0.00002 112 4XZ -0.00050 -0.00134 -0.00030 -0.00155 0.00009 113 4YZ 0.00001 0.00031 -0.00001 0.00032 0.00000 114 12 C 1S -0.00302 -0.00390 -0.00036 -0.00478 0.00039 115 2S 0.00783 0.00955 0.00117 0.00935 -0.00038 116 2PX 0.00136 0.00213 -0.00403 -0.00350 -0.00086 117 2PY -0.00363 -0.00072 0.00358 0.00255 0.00006 118 2PZ -0.01228 -0.01195 0.00176 -0.00677 0.00102 119 3S 0.00765 0.02359 0.00329 0.01696 -0.00092 120 3PX 0.00275 0.00319 -0.00885 -0.00550 -0.00070 121 3PY -0.00053 -0.00614 0.00120 -0.00421 -0.00017 122 3PZ -0.01043 -0.00361 0.00582 -0.00021 0.00061 123 4XX -0.00035 -0.00054 0.00000 -0.00026 0.00007 124 4YY 0.00020 -0.00032 0.00020 -0.00007 -0.00005 125 4ZZ -0.00016 0.00000 -0.00047 -0.00093 -0.00002 126 4XY 0.00093 0.00060 0.00006 0.00079 0.00004 127 4XZ -0.00111 -0.00059 -0.00009 -0.00109 0.00003 128 4YZ 0.00109 0.00079 -0.00008 0.00050 -0.00003 129 13 C 1S -0.00116 0.00096 0.00085 0.00116 0.00046 130 2S -0.00487 -0.00699 0.00248 -0.00346 -0.00072 131 2PX 0.02701 0.01209 -0.00200 0.01267 0.00019 132 2PY -0.00436 -0.00447 -0.00333 -0.00583 -0.00039 133 2PZ 0.01800 0.00652 -0.00534 -0.00688 0.00000 134 3S -0.02751 -0.00869 -0.01880 -0.01340 -0.00045 135 3PX 0.01420 0.01046 0.00956 0.01985 0.00034 136 3PY -0.00733 -0.01349 -0.00607 -0.02004 -0.00079 137 3PZ 0.00316 -0.01963 -0.01096 -0.03607 -0.00089 138 4XX -0.00059 0.00078 -0.00013 0.00032 -0.00003 139 4YY 0.00044 0.00045 0.00037 0.00083 -0.00008 140 4ZZ -0.00016 -0.00192 -0.00007 -0.00189 0.00010 141 4XY 0.00080 0.00051 -0.00004 0.00072 0.00001 142 4XZ 0.00116 -0.00034 -0.00063 -0.00109 0.00016 143 4YZ 0.00073 0.00011 -0.00034 -0.00072 -0.00002 144 14 C 1S -0.00559 0.00394 0.00167 0.00726 0.00024 145 2S -0.00094 -0.01002 -0.00082 -0.00761 -0.00022 146 2PX 0.01764 0.05167 0.00510 0.04911 -0.00249 147 2PY 0.00059 0.01066 -0.00139 0.01408 -0.00102 148 2PZ -0.01794 0.01442 0.00720 0.03125 -0.00083 149 3S 0.00111 -0.04703 -0.02461 -0.06981 -0.00102 150 3PX -0.00865 0.02859 -0.00712 0.02547 -0.00166 151 3PY -0.00732 0.02793 0.00338 0.04144 0.00027 152 3PZ 0.00834 0.02875 0.01325 0.04036 -0.00089 153 4XX -0.00246 0.00149 0.00033 0.00128 0.00033 154 4YY 0.00010 0.00019 -0.00005 0.00055 -0.00011 155 4ZZ 0.00027 -0.00035 -0.00007 0.00015 -0.00007 156 4XY -0.00047 -0.00084 0.00030 -0.00014 0.00008 157 4XZ -0.00071 -0.00012 0.00019 0.00076 0.00020 158 4YZ 0.00071 0.00009 -0.00017 -0.00036 -0.00001 159 15 C 1S 0.00114 -0.00189 -0.00093 -0.00173 -0.00008 160 2S 0.00790 0.01051 -0.00179 0.00208 -0.00055 161 2PX -0.03878 -0.01373 0.00431 0.00205 0.00231 162 2PY 0.00181 0.00021 0.00013 -0.00176 0.00019 163 2PZ -0.01431 0.00371 0.00182 0.00527 0.00100 164 3S 0.00172 0.01077 0.02534 0.03152 0.00069 165 3PX -0.02458 -0.01130 -0.00766 -0.01292 0.00148 166 3PY 0.01278 0.01243 0.00281 0.00861 -0.00013 167 3PZ -0.01834 0.00390 0.00920 0.01395 0.00156 168 4XX -0.00011 -0.00200 -0.00036 -0.00202 0.00013 169 4YY 0.00019 0.00128 -0.00012 0.00108 -0.00005 170 4ZZ 0.00009 0.00180 -0.00005 0.00199 -0.00002 171 4XY -0.00011 0.00141 0.00014 0.00138 -0.00009 172 4XZ -0.00016 -0.00017 -0.00034 -0.00013 0.00000 173 4YZ 0.00123 0.00239 0.00031 0.00209 -0.00014 174 16 H 1S 0.00234 0.00114 -0.00026 -0.00127 -0.00010 175 2S 0.00492 0.00487 -0.00316 -0.00200 -0.00028 176 17 H 1S -0.00283 0.00000 0.00402 0.00529 -0.00014 177 2S -0.00273 -0.00712 0.00308 0.00042 0.00008 178 18 H 1S 0.00244 -0.00060 0.00185 0.00296 0.00050 179 2S 0.01128 -0.00766 -0.00726 -0.00399 0.00018 180 19 H 1S -0.01332 0.00014 0.00175 -0.00081 -0.00054 181 2S 0.00936 0.02977 0.02627 0.04875 0.00006 182 20 H 1S 0.00161 -0.00072 -0.00217 0.00107 -0.00078 183 2S 0.01046 0.00210 0.00532 0.00268 -0.00088 184 21 H 1S -0.00398 -0.00455 0.00079 -0.00269 0.00028 185 2S -0.00955 -0.00833 0.00169 -0.00181 0.00063 186 22 H 1S -0.00617 -0.00335 -0.00131 -0.00539 0.00001 187 2S -0.01246 -0.01544 -0.00141 -0.01638 0.00042 188 23 H 1S 0.01642 0.00081 -0.00445 -0.00560 0.00021 189 2S 0.01704 0.00080 -0.00283 -0.00444 0.00130 56 57 58 59 60 56 4YY 0.00294 57 4ZZ -0.00023 0.00079 58 4XY -0.00030 0.00034 0.00161 59 4XZ 0.00005 -0.00011 0.00008 0.00045 60 4YZ 0.00015 0.00019 -0.00006 -0.00028 0.00151 61 5 H 1S 0.00091 0.00569 0.00313 -0.00366 -0.00319 62 2S 0.00186 0.00403 0.00327 -0.00123 -0.00429 63 6 H 1S 0.00061 -0.00074 0.00076 0.00092 -0.00109 64 2S 0.00204 -0.00140 -0.00066 0.00084 -0.00142 65 7 H 1S 0.00010 0.00616 0.00033 -0.00215 -0.00169 66 2S -0.00146 0.00636 0.00177 -0.00178 0.00306 67 8 O 1S 0.00035 -0.00024 -0.00079 -0.00022 0.00075 68 2S -0.00119 0.00068 0.00193 0.00068 -0.00177 69 2PX -0.00051 0.00158 -0.00037 -0.00132 -0.00020 70 2PY 0.00223 -0.00197 0.00332 0.00299 -0.00194 71 2PZ 0.00073 -0.00341 -0.00069 0.00072 -0.00060 72 3S -0.00513 0.00135 0.00244 0.00059 -0.00258 73 3PX 0.00009 0.00074 0.00008 -0.00070 0.00036 74 3PY 0.00014 -0.00094 0.00244 0.00180 -0.00155 75 3PZ -0.00021 -0.00229 -0.00040 0.00023 -0.00015 76 4XX -0.00026 -0.00004 0.00010 -0.00005 0.00000 77 4YY 0.00085 -0.00029 0.00011 0.00015 -0.00014 78 4ZZ -0.00029 0.00025 -0.00002 -0.00008 0.00004 79 4XY -0.00011 0.00002 -0.00029 0.00001 0.00012 80 4XZ 0.00015 -0.00008 -0.00001 0.00004 -0.00002 81 4YZ 0.00014 -0.00005 0.00012 0.00002 -0.00034 82 9 H 1S -0.00046 -0.00214 0.00192 -0.00194 -0.00018 83 2S -0.00280 -0.00286 -0.00179 -0.00098 -0.00080 84 10 C 1S 0.00004 0.00014 0.00003 -0.00002 -0.00002 85 2S 0.00005 -0.00011 -0.00009 0.00004 0.00009 86 2PX 0.00045 -0.00128 0.00141 0.00042 0.00003 87 2PY -0.00012 -0.00010 -0.00026 -0.00002 0.00013 88 2PZ 0.00073 -0.00096 0.00123 0.00035 0.00003 89 3S 0.00033 -0.00012 -0.00098 -0.00059 0.00006 90 3PX 0.00017 -0.00105 0.00170 0.00059 0.00005 91 3PY 0.00018 0.00029 -0.00061 -0.00016 -0.00005 92 3PZ 0.00089 -0.00080 0.00083 0.00001 0.00032 93 4XX 0.00002 0.00007 0.00003 -0.00001 -0.00003 94 4YY -0.00002 -0.00002 -0.00003 0.00000 0.00002 95 4ZZ -0.00004 -0.00003 -0.00003 0.00000 0.00000 96 4XY 0.00007 0.00009 0.00002 0.00001 -0.00006 97 4XZ 0.00000 -0.00001 0.00002 0.00001 0.00000 98 4YZ 0.00003 0.00008 -0.00001 -0.00001 -0.00005 99 11 C 1S -0.00035 -0.00059 -0.00006 0.00001 0.00000 100 2S 0.00001 0.00049 -0.00032 -0.00012 -0.00005 101 2PX -0.00039 -0.00161 -0.00006 0.00025 0.00046 102 2PY 0.00001 0.00047 0.00005 -0.00009 -0.00022 103 2PZ -0.00100 -0.00142 -0.00023 0.00015 0.00048 104 3S -0.00009 0.00112 0.00078 0.00042 -0.00012 105 3PX -0.00059 -0.00155 -0.00003 0.00039 0.00021 106 3PY -0.00005 0.00034 0.00065 0.00024 0.00012 107 3PZ -0.00108 -0.00116 -0.00012 0.00009 0.00030 108 4XX 0.00006 -0.00011 0.00012 0.00002 -0.00002 109 4YY -0.00002 -0.00001 -0.00005 -0.00001 0.00000 110 4ZZ -0.00004 0.00003 -0.00008 -0.00002 -0.00004 111 4XY 0.00003 0.00002 -0.00001 0.00000 -0.00001 112 4XZ 0.00004 -0.00003 0.00007 0.00001 -0.00002 113 4YZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 114 12 C 1S 0.00020 0.00013 0.00012 0.00004 0.00012 115 2S -0.00039 0.00006 -0.00032 -0.00003 -0.00006 116 2PX 0.00015 0.00014 -0.00017 -0.00017 -0.00007 117 2PY 0.00010 0.00042 -0.00007 -0.00007 -0.00019 118 2PZ 0.00069 -0.00005 0.00049 0.00004 -0.00002 119 3S -0.00005 0.00063 -0.00065 -0.00026 -0.00011 120 3PX 0.00042 0.00017 -0.00030 -0.00021 0.00039 121 3PY 0.00011 0.00045 0.00028 -0.00025 0.00016 122 3PZ 0.00010 0.00006 0.00015 0.00019 -0.00026 123 4XX 0.00001 -0.00004 0.00001 0.00001 0.00000 124 4YY -0.00003 0.00001 0.00001 0.00001 0.00005 125 4ZZ 0.00003 0.00004 0.00001 -0.00001 0.00000 126 4XY 0.00000 -0.00004 -0.00002 -0.00005 -0.00005 127 4XZ 0.00006 0.00004 0.00002 -0.00001 -0.00002 128 4YZ -0.00005 -0.00005 -0.00005 -0.00001 -0.00001 129 13 C 1S 0.00040 0.00021 -0.00008 -0.00030 -0.00031 130 2S -0.00042 0.00056 0.00060 0.00048 0.00067 131 2PX 0.00023 -0.00143 -0.00077 -0.00179 -0.00146 132 2PY 0.00003 0.00011 0.00045 0.00033 0.00046 133 2PZ -0.00064 -0.00159 -0.00066 -0.00045 0.00005 134 3S 0.00149 -0.00029 0.00034 0.00070 0.00141 135 3PX -0.00081 -0.00048 -0.00029 -0.00073 -0.00148 136 3PY 0.00050 0.00048 0.00084 -0.00009 0.00138 137 3PZ 0.00054 -0.00017 0.00070 -0.00054 0.00194 138 4XX -0.00002 0.00005 -0.00005 0.00002 0.00000 139 4YY -0.00001 0.00006 -0.00001 -0.00002 0.00001 140 4ZZ 0.00000 -0.00010 0.00010 -0.00001 0.00001 141 4XY 0.00003 -0.00003 -0.00004 -0.00007 -0.00006 142 4XZ 0.00000 -0.00024 -0.00003 -0.00005 -0.00007 143 4YZ -0.00004 -0.00005 -0.00002 -0.00001 0.00002 144 14 C 1S 0.00041 0.00077 -0.00030 -0.00009 -0.00035 145 2S 0.00028 -0.00013 0.00069 0.00043 0.00059 146 2PX -0.00014 0.00221 -0.00263 -0.00078 -0.00104 147 2PY 0.00053 0.00025 -0.00049 -0.00004 0.00015 148 2PZ 0.00077 0.00242 -0.00036 -0.00006 -0.00080 149 3S 0.00234 0.00016 0.00189 -0.00060 0.00344 150 3PX 0.00115 0.00189 -0.00171 -0.00060 -0.00027 151 3PY -0.00011 -0.00023 -0.00110 0.00050 -0.00177 152 3PZ -0.00071 0.00144 -0.00119 -0.00008 -0.00116 153 4XX -0.00001 -0.00001 -0.00010 0.00002 -0.00021 154 4YY 0.00002 -0.00003 -0.00001 0.00003 0.00004 155 4ZZ -0.00005 -0.00002 0.00005 0.00000 0.00000 156 4XY -0.00002 -0.00004 0.00003 0.00003 -0.00003 157 4XZ -0.00001 -0.00007 0.00002 -0.00005 -0.00017 158 4YZ -0.00004 -0.00006 -0.00002 0.00000 0.00002 159 15 C 1S -0.00033 -0.00035 0.00003 -0.00017 0.00007 160 2S -0.00005 0.00000 -0.00064 -0.00006 0.00021 161 2PX 0.00142 0.00131 0.00060 0.00018 -0.00132 162 2PY 0.00003 0.00040 -0.00017 -0.00001 -0.00016 163 2PZ 0.00070 0.00115 -0.00032 -0.00009 -0.00089 164 3S -0.00216 -0.00044 0.00003 0.00101 -0.00164 165 3PX 0.00174 0.00103 0.00020 -0.00032 -0.00030 166 3PY -0.00044 0.00032 -0.00066 -0.00012 -0.00037 167 3PZ 0.00007 0.00067 -0.00002 0.00034 -0.00151 168 4XX 0.00000 -0.00012 0.00009 0.00002 0.00002 169 4YY 0.00002 0.00001 -0.00007 -0.00001 0.00000 170 4ZZ 0.00003 0.00007 -0.00009 -0.00003 -0.00006 171 4XY 0.00000 0.00009 -0.00005 -0.00001 -0.00002 172 4XZ 0.00002 -0.00001 0.00000 -0.00002 0.00001 173 4YZ -0.00005 0.00008 -0.00010 -0.00002 -0.00002 174 16 H 1S -0.00015 0.00007 -0.00012 -0.00005 -0.00001 175 2S 0.00000 0.00022 -0.00030 -0.00015 -0.00001 176 17 H 1S 0.00004 0.00006 -0.00017 0.00000 0.00008 177 2S -0.00003 -0.00023 0.00002 0.00006 0.00028 178 18 H 1S -0.00015 -0.00026 0.00004 0.00001 0.00004 179 2S 0.00006 -0.00049 0.00018 -0.00030 0.00058 180 19 H 1S -0.00055 0.00098 0.00014 0.00117 0.00064 181 2S -0.00276 0.00098 -0.00087 0.00114 -0.00221 182 20 H 1S 0.00045 -0.00011 0.00008 0.00013 0.00054 183 2S -0.00030 0.00018 -0.00008 -0.00014 0.00048 184 21 H 1S 0.00012 0.00003 0.00020 0.00012 -0.00002 185 2S 0.00018 -0.00002 0.00051 0.00021 -0.00026 186 22 H 1S 0.00039 0.00029 0.00021 0.00001 -0.00001 187 2S 0.00062 0.00048 0.00079 0.00008 0.00007 188 23 H 1S -0.00032 -0.00157 -0.00023 -0.00065 -0.00028 189 2S -0.00042 -0.00218 -0.00037 -0.00047 -0.00097 61 62 63 64 65 61 5 H 1S 0.21550 62 2S 0.15288 0.12401 63 6 H 1S -0.01120 -0.00664 0.21548 64 2S -0.00665 0.00087 0.15283 0.12393 65 7 H 1S -0.00730 -0.01730 -0.00729 -0.01726 0.22401 66 2S -0.01842 -0.03276 -0.01838 -0.03267 0.18437 67 8 O 1S -0.00352 -0.00324 0.01459 0.01573 0.00889 68 2S 0.00990 0.00968 -0.02982 -0.03190 -0.02015 69 2PX 0.02878 0.05950 -0.01402 -0.01602 -0.02511 70 2PY 0.01996 0.04323 0.01732 0.02193 -0.01446 71 2PZ -0.00581 0.00669 0.04333 0.07304 -0.07387 72 3S 0.01899 0.01367 -0.07740 -0.06869 -0.04564 73 3PX 0.02013 0.04090 -0.00238 0.00172 -0.02836 74 3PY 0.01569 0.03096 0.00921 0.01052 -0.00970 75 3PZ -0.00326 0.00730 0.03205 0.04913 -0.06365 76 4XX -0.00004 0.00016 0.00288 0.00109 -0.00188 77 4YY 0.00060 0.00203 0.00090 0.00185 0.00010 78 4ZZ -0.00074 -0.00139 0.00570 0.00403 0.00617 79 4XY -0.00077 0.00066 -0.00312 -0.00327 -0.00032 80 4XZ 0.00091 0.00084 -0.00366 -0.00124 -0.00215 81 4YZ 0.00110 0.00143 0.00318 0.00428 0.00168 82 9 H 1S -0.00081 0.00160 -0.00083 0.00155 -0.04299 83 2S -0.00205 0.00589 -0.00208 0.00582 -0.08220 84 10 C 1S 0.00040 0.00059 0.00083 0.00006 0.00063 85 2S -0.00106 -0.00059 -0.00297 -0.00133 -0.00138 86 2PX -0.00592 -0.02536 0.02681 0.01962 0.00486 87 2PY -0.00079 -0.00063 -0.00212 -0.00408 -0.00007 88 2PZ -0.00433 -0.01692 0.02055 0.00488 0.00085 89 3S 0.00810 0.00615 -0.00652 -0.00205 -0.01201 90 3PX -0.00939 -0.02182 0.02163 0.01154 0.00790 91 3PY 0.00344 0.00526 -0.00340 -0.00511 0.00188 92 3PZ -0.00180 -0.01228 0.01685 0.00914 -0.00142 93 4XX 0.00094 0.00117 -0.00102 -0.00139 0.00039 94 4YY -0.00043 -0.00052 0.00002 0.00026 -0.00023 95 4ZZ -0.00017 -0.00024 0.00110 0.00140 -0.00041 96 4XY 0.00129 0.00126 -0.00076 -0.00166 0.00014 97 4XZ -0.00016 -0.00024 0.00068 0.00025 0.00006 98 4YZ 0.00122 0.00070 -0.00058 -0.00089 0.00038 99 11 C 1S -0.00217 -0.00428 0.00599 0.00672 -0.00145 100 2S 0.00569 0.00821 -0.01490 -0.01321 0.00102 101 2PX -0.01890 -0.02247 0.02502 0.02729 -0.00986 102 2PY 0.00821 0.01243 -0.00208 -0.00710 0.00186 103 2PZ -0.01270 -0.02171 0.02145 0.02813 -0.00338 104 3S 0.00328 0.00517 -0.01931 -0.02500 0.02153 105 3PX -0.01992 -0.02253 0.02448 0.02489 -0.00376 106 3PY -0.00383 -0.00366 -0.00640 -0.01123 0.01271 107 3PZ -0.01167 -0.01653 0.01185 0.01822 -0.00669 108 4XX -0.00039 -0.00120 0.00237 0.00128 -0.00018 109 4YY -0.00023 -0.00024 -0.00130 -0.00061 -0.00012 110 4ZZ 0.00048 0.00102 0.00016 0.00053 -0.00023 111 4XY 0.00024 0.00025 0.00041 0.00025 0.00000 112 4XZ -0.00001 -0.00013 0.00177 0.00071 0.00017 113 4YZ 0.00028 0.00010 0.00041 0.00066 -0.00002 114 12 C 1S -0.00132 -0.00232 0.00046 0.00048 0.00270 115 2S 0.00099 0.00126 0.00108 0.00572 -0.00472 116 2PX 0.00111 0.00626 -0.00160 -0.00503 0.00804 117 2PY 0.00171 0.00757 -0.00108 0.00100 -0.00102 118 2PZ -0.00124 -0.00090 -0.00101 -0.00796 -0.00060 119 3S 0.01423 0.01822 -0.00633 -0.00094 -0.01207 120 3PX -0.00070 0.00230 0.00653 0.00371 0.00231 121 3PY 0.00473 0.00673 -0.00366 -0.00287 0.00034 122 3PZ -0.00304 -0.00337 -0.00267 -0.00751 0.00659 123 4XX -0.00050 -0.00091 0.00098 0.00069 0.00011 124 4YY -0.00037 -0.00020 0.00039 0.00064 -0.00020 125 4ZZ 0.00053 0.00066 -0.00090 -0.00134 0.00062 126 4XY 0.00014 -0.00005 -0.00011 0.00020 -0.00045 127 4XZ 0.00044 0.00083 -0.00130 -0.00175 0.00073 128 4YZ -0.00009 -0.00029 0.00010 0.00041 -0.00012 129 13 C 1S 0.00045 0.00047 -0.00132 -0.00232 0.00270 130 2S 0.00109 0.00574 0.00099 0.00125 -0.00472 131 2PX -0.00161 -0.00508 0.00110 0.00626 0.00804 132 2PY 0.00109 -0.00096 -0.00170 -0.00757 0.00102 133 2PZ -0.00104 -0.00807 -0.00124 -0.00091 -0.00059 134 3S -0.00625 -0.00086 0.01426 0.01826 -0.01213 135 3PX 0.00654 0.00370 -0.00070 0.00230 0.00231 136 3PY 0.00366 0.00288 -0.00473 -0.00674 -0.00034 137 3PZ -0.00274 -0.00762 -0.00307 -0.00339 0.00659 138 4XX 0.00098 0.00068 -0.00050 -0.00091 0.00011 139 4YY 0.00039 0.00065 -0.00037 -0.00020 -0.00020 140 4ZZ -0.00090 -0.00135 0.00053 0.00066 0.00062 141 4XY 0.00011 -0.00020 -0.00014 0.00005 0.00045 142 4XZ -0.00130 -0.00176 0.00044 0.00083 0.00073 143 4YZ -0.00010 -0.00041 0.00009 0.00029 0.00012 144 14 C 1S 0.00601 0.00676 -0.00217 -0.00428 -0.00145 145 2S -0.01493 -0.01325 0.00570 0.00823 0.00102 146 2PX 0.02506 0.02744 -0.01883 -0.02241 -0.00985 147 2PY 0.00205 0.00704 -0.00819 -0.01238 -0.00185 148 2PZ 0.02150 0.02830 -0.01268 -0.02170 -0.00338 149 3S -0.01949 -0.02522 0.00324 0.00515 0.02162 150 3PX 0.02452 0.02497 -0.01988 -0.02249 -0.00370 151 3PY 0.00646 0.01130 0.00388 0.00373 -0.01276 152 3PZ 0.01188 0.01832 -0.01163 -0.01649 -0.00673 153 4XX 0.00237 0.00128 -0.00039 -0.00119 -0.00017 154 4YY -0.00130 -0.00061 -0.00023 -0.00023 -0.00012 155 4ZZ 0.00016 0.00053 0.00048 0.00102 -0.00023 156 4XY -0.00041 -0.00025 -0.00024 -0.00025 0.00000 157 4XZ 0.00178 0.00071 -0.00001 -0.00013 0.00017 158 4YZ -0.00042 -0.00067 -0.00028 -0.00010 0.00002 159 15 C 1S 0.00082 0.00004 0.00040 0.00059 0.00063 160 2S -0.00296 -0.00131 -0.00107 -0.00060 -0.00138 161 2PX 0.02685 0.01973 -0.00590 -0.02537 0.00489 162 2PY 0.00213 0.00414 0.00079 0.00060 0.00007 163 2PZ 0.02061 0.00500 -0.00432 -0.01694 0.00086 164 3S -0.00646 -0.00195 0.00816 0.00621 -0.01211 165 3PX 0.02164 0.01157 -0.00940 -0.02185 0.00798 166 3PY 0.00338 0.00512 -0.00346 -0.00530 -0.00185 167 3PZ 0.01694 0.00927 -0.00178 -0.01227 -0.00144 168 4XX -0.00102 -0.00140 0.00094 0.00117 0.00039 169 4YY 0.00002 0.00026 -0.00043 -0.00052 -0.00023 170 4ZZ 0.00110 0.00141 -0.00018 -0.00024 -0.00041 171 4XY 0.00076 0.00166 -0.00128 -0.00125 -0.00014 172 4XZ 0.00068 0.00025 -0.00016 -0.00024 0.00006 173 4YZ 0.00057 0.00089 -0.00121 -0.00070 -0.00038 174 16 H 1S 0.00096 -0.00009 -0.00193 0.00431 0.00108 175 2S 0.00362 0.00234 -0.00036 0.00493 0.00094 176 17 H 1S -0.00202 -0.00285 -0.00803 -0.00432 0.00045 177 2S -0.00893 -0.01062 -0.00414 -0.00114 0.00163 178 18 H 1S -0.00257 -0.00698 0.00506 0.00719 -0.00402 179 2S -0.00623 -0.01089 0.01531 0.01710 -0.00758 180 19 H 1S 0.00508 0.00722 -0.00256 -0.00697 -0.00401 181 2S 0.01534 0.01716 -0.00621 -0.01088 -0.00757 182 20 H 1S -0.00806 -0.00437 -0.00202 -0.00284 0.00045 183 2S -0.00417 -0.00118 -0.00895 -0.01063 0.00164 184 21 H 1S -0.00193 0.00432 0.00095 -0.00011 0.00108 185 2S -0.00035 0.00497 0.00361 0.00233 0.00092 186 22 H 1S 0.00249 0.00466 -0.00510 -0.00974 0.00355 187 2S 0.00448 0.00592 -0.01064 -0.01714 0.00647 188 23 H 1S -0.00512 -0.00981 0.00248 0.00465 0.00356 189 2S -0.01067 -0.01722 0.00446 0.00590 0.00648 66 67 68 69 70 66 2S 0.19872 67 8 O 1S 0.00532 2.07557 68 2S -0.01017 -0.17799 0.50359 69 2PX -0.08180 0.01250 -0.02848 0.64792 70 2PY -0.02779 0.03973 -0.07465 0.02578 0.66572 71 2PZ -0.15908 -0.00477 0.00372 0.13783 -0.04098 72 3S -0.02900 -0.24522 0.59249 -0.04936 -0.22003 73 3PX -0.07362 0.00937 -0.02092 0.40598 0.03477 74 3PY -0.01825 0.02573 -0.04922 0.03527 0.42243 75 3PZ -0.12019 -0.00452 0.00462 0.14602 -0.04614 76 4XX -0.00272 -0.01520 -0.00285 0.01347 -0.00531 77 4YY -0.00145 -0.01267 -0.00834 -0.00250 0.04106 78 4ZZ 0.00636 -0.01397 -0.00547 -0.00533 -0.00589 79 4XY -0.00176 0.00149 -0.00343 0.02796 0.00807 80 4XZ -0.00178 0.00372 -0.00792 -0.00235 -0.00090 81 4YZ -0.00307 -0.00139 0.00292 0.00402 -0.00306 82 9 H 1S -0.08901 0.01026 -0.02490 0.06500 -0.01389 83 2S -0.12034 0.00569 -0.01481 0.11692 -0.03144 84 10 C 1S 0.00066 0.00025 -0.00129 -0.00316 0.00082 85 2S -0.00226 -0.00139 0.00317 0.01245 0.00223 86 2PX 0.01322 0.00321 -0.00263 -0.00850 -0.00005 87 2PY -0.00430 0.00047 -0.00153 -0.00183 0.00069 88 2PZ 0.00871 0.00086 0.00027 0.00688 -0.00066 89 3S -0.01727 0.00079 -0.00746 0.01253 -0.03846 90 3PX 0.01853 0.00141 0.00211 -0.00809 0.01578 91 3PY 0.00058 0.00425 -0.00987 -0.01631 0.00469 92 3PZ 0.00371 0.00192 -0.00331 0.00858 -0.01123 93 4XX 0.00096 0.00007 -0.00017 -0.00235 0.00047 94 4YY -0.00051 -0.00006 0.00022 0.00167 0.00014 95 4ZZ -0.00114 -0.00013 0.00056 0.00253 0.00020 96 4XY 0.00053 -0.00001 -0.00003 -0.00170 0.00006 97 4XZ 0.00017 0.00007 -0.00008 -0.00035 0.00047 98 4YZ 0.00089 0.00018 -0.00030 -0.00254 0.00052 99 11 C 1S -0.00191 -0.00006 0.00144 0.00870 -0.00185 100 2S 0.00051 0.00124 -0.00356 -0.01380 0.00158 101 2PX -0.01929 -0.00403 0.00920 0.06019 -0.00863 102 2PY 0.00327 0.00015 -0.00011 -0.01145 -0.00099 103 2PZ -0.01359 0.00063 0.00159 0.01993 -0.00436 104 3S 0.03427 -0.00071 0.00712 -0.05998 0.03809 105 3PX -0.00897 0.00229 -0.00370 0.03309 0.01203 106 3PY 0.02256 -0.00273 0.00815 -0.03521 0.00563 107 3PZ -0.01660 -0.00409 0.00911 0.03600 -0.01762 108 4XX 0.00052 0.00035 -0.00046 0.00292 -0.00032 109 4YY -0.00042 0.00017 -0.00051 -0.00016 0.00000 110 4ZZ -0.00083 0.00016 -0.00055 -0.00087 0.00000 111 4XY -0.00028 -0.00005 0.00017 0.00093 0.00031 112 4XZ 0.00005 0.00011 -0.00025 0.00017 -0.00046 113 4YZ -0.00029 0.00000 0.00013 0.00009 -0.00005 114 12 C 1S -0.00011 -0.00056 0.00228 0.00380 -0.00114 115 2S -0.00130 0.00099 -0.00252 -0.01216 -0.00117 116 2PX -0.01067 -0.00448 0.00962 0.01822 -0.00507 117 2PY -0.00205 -0.00124 0.00340 0.00615 -0.00452 118 2PZ 0.00670 -0.00165 0.00099 0.00593 0.00074 119 3S -0.00937 0.00837 -0.01854 -0.01258 0.03109 120 3PX -0.00804 -0.00231 0.00416 0.01346 -0.01813 121 3PY -0.00286 -0.00265 0.00504 0.01907 -0.00899 122 3PZ 0.01555 0.00096 -0.00119 -0.02772 0.01368 123 4XX 0.00053 0.00014 -0.00029 0.00093 0.00024 124 4YY -0.00022 -0.00007 0.00012 0.00022 -0.00054 125 4ZZ 0.00073 0.00013 -0.00040 -0.00224 -0.00010 126 4XY -0.00022 0.00014 -0.00034 -0.00076 0.00014 127 4XZ 0.00062 -0.00013 0.00031 0.00009 0.00041 128 4YZ -0.00042 0.00001 0.00011 0.00011 -0.00024 129 13 C 1S -0.00010 0.00035 -0.00036 -0.00404 0.00108 130 2S -0.00130 -0.00090 0.00121 0.00893 -0.00205 131 2PX -0.01068 0.00001 -0.00059 0.00209 0.00350 132 2PY 0.00202 0.00021 -0.00148 0.00087 0.00314 133 2PZ 0.00673 0.00074 -0.00001 -0.00994 0.00005 134 3S -0.00947 -0.00139 0.00520 0.02586 -0.00371 135 3PX -0.00805 -0.00066 0.00116 0.00457 0.01138 136 3PY 0.00286 0.00031 -0.00169 0.00795 0.00147 137 3PZ 0.01559 0.00119 -0.00312 -0.00209 -0.00665 138 4XX 0.00053 0.00004 -0.00018 -0.00035 -0.00002 139 4YY -0.00023 -0.00004 0.00000 -0.00056 -0.00024 140 4ZZ 0.00073 -0.00007 0.00014 -0.00002 0.00066 141 4XY 0.00022 0.00020 -0.00047 -0.00080 0.00022 142 4XZ 0.00062 0.00011 -0.00016 -0.00059 0.00033 143 4YZ 0.00042 0.00014 -0.00015 -0.00081 0.00016 144 14 C 1S -0.00192 -0.00022 -0.00033 -0.00196 -0.00012 145 2S 0.00051 -0.00083 0.00190 0.01055 0.00069 146 2PX -0.01930 0.00029 -0.00261 -0.00509 -0.00507 147 2PY -0.00326 0.00057 -0.00159 -0.00636 -0.00593 148 2PZ -0.01360 -0.00037 -0.00241 -0.00385 -0.00209 149 3S 0.03444 0.00478 -0.01173 -0.01344 -0.01505 150 3PX -0.00889 -0.00034 -0.00063 -0.00600 -0.01029 151 3PY -0.02265 -0.00292 0.00709 0.01726 0.00351 152 3PZ -0.01665 -0.00038 -0.00261 -0.00465 -0.00630 153 4XX 0.00052 0.00005 0.00009 -0.00284 0.00058 154 4YY -0.00043 -0.00013 0.00025 0.00074 -0.00051 155 4ZZ -0.00084 -0.00024 0.00047 0.00252 0.00016 156 4XY 0.00028 0.00001 -0.00007 -0.00087 -0.00024 157 4XZ 0.00005 0.00001 0.00013 -0.00149 0.00051 158 4YZ 0.00029 0.00001 0.00003 -0.00036 0.00001 159 15 C 1S 0.00066 0.00003 0.00010 -0.00146 -0.00082 160 2S -0.00226 0.00038 -0.00105 0.00391 -0.00068 161 2PX 0.01326 0.00238 -0.00425 -0.04306 0.00106 162 2PY 0.00430 0.00041 -0.00032 -0.00711 -0.00081 163 2PZ 0.00875 0.00198 -0.00298 -0.03019 0.00202 164 3S -0.01745 -0.00543 0.01364 0.02280 0.01674 165 3PX 0.01867 0.00314 -0.00674 -0.04394 -0.00763 166 3PY -0.00053 0.00232 -0.00621 -0.01554 -0.00399 167 3PZ 0.00367 0.00044 0.00084 -0.02320 0.01236 168 4XX 0.00096 0.00000 0.00009 -0.00031 -0.00001 169 4YY -0.00051 -0.00004 0.00004 0.00041 -0.00024 170 4ZZ -0.00114 0.00000 -0.00012 0.00058 -0.00028 171 4XY -0.00052 -0.00015 0.00016 -0.00003 -0.00001 172 4XZ 0.00017 0.00004 -0.00009 -0.00051 -0.00026 173 4YZ -0.00089 -0.00002 -0.00007 -0.00033 -0.00006 174 16 H 1S 0.00129 0.00019 0.00028 -0.00315 -0.00016 175 2S 0.00053 0.00148 -0.00269 -0.00743 -0.00121 176 17 H 1S 0.00001 0.00030 -0.00115 -0.00312 0.00246 177 2S 0.00217 -0.00251 0.00538 0.00055 -0.00900 178 18 H 1S 0.00595 0.00248 -0.00572 -0.00292 0.00146 179 2S -0.00845 -0.00390 0.00520 0.03408 -0.03732 180 19 H 1S 0.00597 -0.00029 0.00059 0.00035 -0.00239 181 2S -0.00842 -0.00186 0.00405 -0.00768 0.00836 182 20 H 1S 0.00001 0.00027 -0.00065 0.00043 -0.00415 183 2S 0.00219 0.00064 -0.00182 -0.00854 -0.00309 184 21 H 1S 0.00129 -0.00010 0.00005 0.00034 0.00008 185 2S 0.00049 -0.00077 0.00190 0.00464 0.00424 186 22 H 1S 0.00220 -0.00177 0.00219 0.00116 0.00041 187 2S 0.00728 -0.00270 0.00418 0.00434 -0.00208 188 23 H 1S 0.00219 0.00058 -0.00069 -0.00313 0.00275 189 2S 0.00729 0.00121 -0.00104 -0.01766 0.00417 71 72 73 74 75 71 2PZ 0.71641 72 3S 0.05272 0.75616 73 3PX 0.15874 -0.03225 0.26576 74 3PY -0.03762 -0.14008 0.03216 0.26986 75 3PZ 0.46269 0.04136 0.13783 -0.03454 0.30839 76 4XX 0.00322 -0.00420 0.00784 -0.00286 0.00301 77 4YY -0.00245 -0.01836 -0.00029 0.02560 -0.00326 78 4ZZ -0.00730 -0.00645 -0.00400 -0.00371 -0.00471 79 4XY 0.00450 -0.00489 0.01726 0.00593 0.00506 80 4XZ 0.00742 -0.00741 -0.00076 -0.00086 0.00424 81 4YZ 0.02923 0.00412 0.00508 -0.00251 0.01811 82 9 H 1S 0.02891 -0.04014 0.05427 -0.00602 0.03094 83 2S 0.07567 -0.01080 0.08764 -0.01567 0.06849 84 10 C 1S -0.00061 0.00114 -0.00189 0.00094 -0.00173 85 2S 0.00106 0.00790 0.01050 0.00179 0.00209 86 2PX -0.00171 -0.03867 -0.01367 -0.00429 0.00207 87 2PY 0.00195 -0.00183 -0.00021 0.00011 0.00177 88 2PZ 0.00447 -0.01425 0.00372 -0.00181 0.00526 89 3S 0.04552 0.00167 0.01056 -0.02537 0.03122 90 3PX -0.02043 -0.02446 -0.01116 0.00767 -0.01275 91 3PY -0.00930 -0.01276 -0.01250 0.00281 -0.00868 92 3PZ 0.01848 -0.01831 0.00384 -0.00921 0.01385 93 4XX -0.00184 -0.00011 -0.00200 0.00036 -0.00202 94 4YY 0.00100 0.00019 0.00129 0.00012 0.00108 95 4ZZ 0.00209 0.00009 0.00180 0.00005 0.00199 96 4XY -0.00140 0.00011 -0.00142 0.00014 -0.00139 97 4XZ -0.00009 -0.00016 -0.00017 0.00034 -0.00012 98 4YZ -0.00236 -0.00123 -0.00240 0.00032 -0.00209 99 11 C 1S 0.00814 -0.00561 0.00391 -0.00167 0.00723 100 2S -0.00917 -0.00091 -0.00999 0.00082 -0.00760 101 2PX 0.05237 0.01761 0.05170 -0.00517 0.04916 102 2PY -0.01314 -0.00056 -0.01068 -0.00135 -0.01411 103 2PZ 0.02775 -0.01788 0.01447 -0.00724 0.03125 104 3S -0.09355 0.00110 -0.04680 0.02468 -0.06947 105 3PX 0.02395 -0.00859 0.02870 0.00705 0.02564 106 3PY -0.05506 0.00725 -0.02786 0.00352 -0.04135 107 3PZ 0.04414 0.00833 0.02874 -0.01326 0.04027 108 4XX 0.00200 -0.00246 0.00148 -0.00033 0.00128 109 4YY 0.00057 0.00011 0.00020 0.00005 0.00055 110 4ZZ 0.00045 0.00027 -0.00035 0.00008 0.00015 111 4XY -0.00014 0.00047 0.00083 0.00030 0.00014 112 4XZ 0.00175 -0.00070 -0.00011 -0.00019 0.00076 113 4YZ 0.00007 -0.00070 -0.00009 -0.00017 0.00036 114 12 C 1S 0.00312 -0.00116 0.00097 -0.00086 0.00116 115 2S -0.00877 -0.00489 -0.00699 -0.00247 -0.00346 116 2PX 0.02212 0.02702 0.01209 0.00198 0.01267 117 2PY 0.00846 0.00434 0.00447 -0.00336 0.00585 118 2PZ -0.00279 0.01800 0.00653 0.00534 -0.00683 119 3S -0.02068 -0.02748 -0.00882 0.01880 -0.01349 120 3PX 0.03042 0.01421 0.01046 -0.00960 0.01983 121 3PY 0.03012 0.00735 0.01351 -0.00614 0.02009 122 3PZ -0.04814 0.00311 -0.01958 0.01102 -0.03596 123 4XX 0.00025 -0.00059 0.00078 0.00013 0.00033 124 4YY 0.00078 0.00044 0.00045 -0.00037 0.00083 125 4ZZ -0.00182 -0.00016 -0.00192 0.00007 -0.00189 126 4XY -0.00110 -0.00080 -0.00051 -0.00004 -0.00072 127 4XZ -0.00040 0.00116 -0.00035 0.00063 -0.00110 128 4YZ 0.00069 -0.00073 -0.00011 -0.00034 0.00072 129 13 C 1S -0.00486 -0.00302 -0.00391 0.00036 -0.00479 130 2S 0.01105 0.00784 0.00955 -0.00119 0.00936 131 2PX -0.00418 0.00132 0.00212 0.00402 -0.00349 132 2PY -0.00131 0.00366 0.00075 0.00360 -0.00253 133 2PZ -0.00780 -0.01231 -0.01199 -0.00175 -0.00682 134 3S 0.01648 0.00764 0.02374 -0.00327 0.01707 135 3PX -0.00981 0.00273 0.00319 0.00885 -0.00547 136 3PY 0.00788 0.00056 0.00613 0.00121 0.00420 137 3PZ 0.00187 -0.01042 -0.00365 -0.00585 -0.00024 138 4XX -0.00015 -0.00035 -0.00055 0.00000 -0.00026 139 4YY -0.00030 0.00020 -0.00032 -0.00020 -0.00007 140 4ZZ -0.00126 -0.00016 0.00000 0.00047 -0.00093 141 4XY -0.00112 -0.00093 -0.00060 0.00006 -0.00079 142 4XZ -0.00133 -0.00111 -0.00060 0.00009 -0.00110 143 4YZ -0.00077 -0.00109 -0.00079 -0.00008 -0.00050 144 14 C 1S -0.00038 0.00417 -0.00087 0.00084 -0.00100 145 2S 0.00620 0.00260 0.00952 0.00063 0.00697 146 2PX 0.01086 0.00467 -0.00798 -0.00069 0.00652 147 2PY 0.00506 -0.00356 -0.00668 -0.00535 0.00313 148 2PZ 0.00368 0.01629 -0.00036 0.00211 0.00014 149 3S -0.00947 -0.02206 -0.00993 -0.01204 -0.00814 150 3PX 0.00672 0.00574 -0.00766 -0.00556 0.00201 151 3PY 0.01298 0.01074 0.01274 0.00295 0.01205 152 3PZ 0.01135 0.01419 -0.00164 -0.00120 0.00637 153 4XX -0.00301 -0.00127 -0.00285 0.00038 -0.00271 154 4YY 0.00126 0.00029 0.00057 -0.00046 0.00102 155 4ZZ 0.00186 0.00152 0.00228 0.00020 0.00156 156 4XY -0.00054 0.00019 -0.00059 -0.00018 -0.00056 157 4XZ -0.00179 -0.00050 -0.00135 0.00030 -0.00155 158 4YZ -0.00037 -0.00001 -0.00031 -0.00001 -0.00033 159 15 C 1S -0.00083 -0.00063 -0.00134 -0.00076 -0.00103 160 2S 0.00295 -0.00216 0.00260 -0.00014 0.00345 161 2PX -0.03265 -0.01708 -0.03882 0.00035 -0.03018 162 2PY -0.00413 -0.00386 -0.00824 -0.00030 -0.00422 163 2PZ -0.02211 -0.01805 -0.03036 0.00159 -0.01989 164 3S 0.01057 0.01899 0.01860 0.01305 0.01221 165 3PX -0.03171 -0.01955 -0.03928 -0.00580 -0.02969 166 3PY -0.00337 -0.00642 -0.01312 -0.00228 -0.00475 167 3PZ -0.02613 -0.00831 -0.02233 0.00878 -0.02176 168 4XX -0.00068 -0.00044 -0.00021 -0.00012 -0.00053 169 4YY 0.00034 0.00028 0.00032 -0.00018 0.00030 170 4ZZ 0.00066 0.00054 0.00046 -0.00004 0.00051 171 4XY -0.00025 0.00178 0.00025 0.00020 -0.00043 172 4XZ -0.00007 -0.00022 -0.00043 -0.00024 -0.00015 173 4YZ 0.00020 0.00067 -0.00026 0.00007 0.00008 174 16 H 1S -0.00406 -0.00398 -0.00455 -0.00078 -0.00269 175 2S -0.00155 -0.00954 -0.00837 -0.00169 -0.00187 176 17 H 1S -0.00082 0.00162 -0.00070 0.00216 0.00107 177 2S -0.00038 0.01042 0.00214 -0.00529 0.00269 178 18 H 1S -0.00478 -0.01335 0.00016 -0.00175 -0.00078 179 2S 0.06462 0.00938 0.02982 -0.02637 0.04876 180 19 H 1S 0.00405 0.00245 -0.00061 -0.00185 0.00295 181 2S -0.00691 0.01127 -0.00769 0.00727 -0.00401 182 20 H 1S 0.00616 -0.00284 0.00001 -0.00404 0.00530 183 2S 0.00133 -0.00271 -0.00716 -0.00309 0.00039 184 21 H 1S -0.00140 0.00235 0.00114 0.00027 -0.00126 185 2S -0.00294 0.00494 0.00491 0.00317 -0.00195 186 22 H 1S -0.00144 0.01641 0.00080 0.00446 -0.00561 187 2S 0.00442 0.01707 0.00079 0.00282 -0.00444 188 23 H 1S -0.00693 -0.00619 -0.00336 0.00131 -0.00539 189 2S -0.02059 -0.01249 -0.01547 0.00145 -0.01641 76 77 78 79 80 76 4XX 0.00104 77 4YY -0.00033 0.00294 78 4ZZ 0.00002 -0.00023 0.00079 79 4XY 0.00037 0.00030 -0.00034 0.00161 80 4XZ -0.00009 0.00005 -0.00011 -0.00008 0.00045 81 4YZ 0.00023 -0.00015 -0.00019 -0.00006 0.00028 82 9 H 1S 0.00638 -0.00047 -0.00215 -0.00191 -0.00194 83 2S 0.00588 -0.00281 -0.00286 0.00179 -0.00098 84 10 C 1S -0.00008 -0.00033 -0.00035 -0.00003 -0.00017 85 2S -0.00055 -0.00005 0.00000 0.00064 -0.00006 86 2PX 0.00230 0.00141 0.00131 -0.00059 0.00018 87 2PY -0.00019 -0.00003 -0.00039 -0.00017 0.00001 88 2PZ 0.00099 0.00070 0.00115 0.00032 -0.00009 89 3S 0.00069 -0.00216 -0.00044 -0.00004 0.00101 90 3PX 0.00147 0.00173 0.00103 -0.00020 -0.00032 91 3PY 0.00013 0.00044 -0.00032 -0.00066 0.00012 92 3PZ 0.00155 0.00006 0.00067 0.00002 0.00034 93 4XX 0.00013 0.00000 -0.00012 -0.00009 0.00002 94 4YY -0.00005 0.00002 0.00001 0.00007 -0.00001 95 4ZZ -0.00002 0.00003 0.00007 0.00009 -0.00003 96 4XY 0.00009 0.00000 -0.00009 -0.00006 0.00001 97 4XZ 0.00000 0.00002 -0.00001 0.00000 -0.00002 98 4YZ 0.00014 0.00005 -0.00008 -0.00010 0.00002 99 11 C 1S 0.00025 0.00041 0.00077 0.00030 -0.00009 100 2S -0.00022 0.00028 -0.00013 -0.00069 0.00043 101 2PX -0.00249 -0.00014 0.00221 0.00263 -0.00077 102 2PY 0.00102 -0.00053 -0.00025 -0.00048 0.00003 103 2PZ -0.00083 0.00077 0.00242 0.00036 -0.00006 104 3S -0.00102 0.00234 0.00015 -0.00188 -0.00061 105 3PX -0.00167 0.00115 0.00190 0.00172 -0.00059 106 3PY -0.00027 0.00012 0.00022 -0.00110 -0.00050 107 3PZ -0.00090 -0.00071 0.00145 0.00119 -0.00008 108 4XX 0.00033 -0.00001 -0.00001 0.00010 0.00002 109 4YY -0.00011 0.00002 -0.00003 0.00001 0.00003 110 4ZZ -0.00007 -0.00005 -0.00002 -0.00005 0.00000 111 4XY -0.00008 0.00002 0.00004 0.00003 -0.00003 112 4XZ 0.00020 -0.00001 -0.00007 -0.00002 -0.00005 113 4YZ 0.00001 0.00004 0.00006 -0.00002 0.00000 114 12 C 1S 0.00046 0.00040 0.00021 0.00008 -0.00030 115 2S -0.00072 -0.00041 0.00056 -0.00060 0.00048 116 2PX 0.00019 0.00023 -0.00142 0.00078 -0.00179 117 2PY 0.00039 -0.00003 -0.00010 0.00045 -0.00033 118 2PZ 0.00000 -0.00064 -0.00159 0.00066 -0.00045 119 3S -0.00045 0.00149 -0.00030 -0.00034 0.00070 120 3PX 0.00034 -0.00081 -0.00048 0.00029 -0.00073 121 3PY 0.00079 -0.00051 -0.00047 0.00084 0.00010 122 3PZ -0.00089 0.00055 -0.00017 -0.00070 -0.00054 123 4XX -0.00003 -0.00002 0.00005 0.00005 0.00003 124 4YY -0.00008 -0.00001 0.00006 0.00001 -0.00002 125 4ZZ 0.00010 0.00000 -0.00010 -0.00010 -0.00001 126 4XY -0.00001 -0.00003 0.00003 -0.00004 0.00007 127 4XZ 0.00016 0.00000 -0.00024 0.00003 -0.00005 128 4YZ 0.00002 0.00004 0.00005 -0.00002 0.00001 129 13 C 1S 0.00039 0.00020 0.00013 -0.00012 0.00004 130 2S -0.00038 -0.00039 0.00007 0.00032 -0.00003 131 2PX -0.00086 0.00015 0.00014 0.00016 -0.00017 132 2PY -0.00007 -0.00010 -0.00042 -0.00007 0.00007 133 2PZ 0.00102 0.00069 -0.00005 -0.00049 0.00004 134 3S -0.00093 -0.00005 0.00064 0.00066 -0.00026 135 3PX -0.00070 0.00042 0.00017 0.00030 -0.00021 136 3PY 0.00017 -0.00011 -0.00045 0.00028 0.00025 137 3PZ 0.00061 0.00010 0.00006 -0.00015 0.00019 138 4XX 0.00007 0.00001 -0.00005 -0.00001 0.00001 139 4YY -0.00005 -0.00003 0.00001 -0.00001 0.00001 140 4ZZ -0.00002 0.00003 0.00004 -0.00001 -0.00001 141 4XY -0.00004 0.00000 0.00004 -0.00002 0.00005 142 4XZ 0.00003 0.00006 0.00004 -0.00002 -0.00001 143 4YZ 0.00003 0.00005 0.00005 -0.00005 0.00001 144 14 C 1S 0.00014 -0.00035 -0.00059 0.00006 0.00001 145 2S -0.00070 0.00001 0.00049 0.00032 -0.00012 146 2PX 0.00054 -0.00039 -0.00162 0.00007 0.00024 147 2PY 0.00032 -0.00001 -0.00047 0.00005 0.00009 148 2PZ -0.00035 -0.00100 -0.00143 0.00023 0.00015 149 3S -0.00027 -0.00009 0.00113 -0.00078 0.00042 150 3PX 0.00061 -0.00059 -0.00155 0.00003 0.00039 151 3PY -0.00014 0.00005 -0.00034 0.00066 -0.00024 152 3PZ -0.00022 -0.00109 -0.00116 0.00012 0.00009 153 4XX 0.00027 0.00006 -0.00011 -0.00012 0.00002 154 4YY -0.00002 -0.00002 -0.00001 0.00005 -0.00001 155 4ZZ -0.00012 -0.00004 0.00003 0.00008 -0.00002 156 4XY 0.00002 -0.00003 -0.00002 -0.00001 0.00000 157 4XZ 0.00009 0.00004 -0.00003 -0.00007 0.00001 158 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00000 159 15 C 1S 0.00009 0.00004 0.00015 -0.00003 -0.00002 160 2S -0.00010 0.00005 -0.00011 0.00009 0.00004 161 2PX 0.00275 0.00045 -0.00128 -0.00141 0.00041 162 2PY 0.00069 0.00012 0.00009 -0.00026 0.00002 163 2PZ 0.00236 0.00073 -0.00097 -0.00123 0.00035 164 3S -0.00049 0.00033 -0.00011 0.00099 -0.00059 165 3PX 0.00242 0.00017 -0.00105 -0.00170 0.00058 166 3PY 0.00064 -0.00018 -0.00029 -0.00061 0.00016 167 3PZ 0.00161 0.00088 -0.00081 -0.00084 0.00001 168 4XX 0.00002 0.00002 0.00007 -0.00003 -0.00001 169 4YY -0.00002 -0.00002 -0.00002 0.00003 0.00000 170 4ZZ -0.00001 -0.00004 -0.00003 0.00003 0.00000 171 4XY -0.00007 -0.00007 -0.00009 0.00002 -0.00001 172 4XZ 0.00002 0.00000 -0.00001 -0.00002 0.00001 173 4YZ -0.00004 -0.00003 -0.00008 -0.00001 0.00001 174 16 H 1S 0.00029 0.00012 0.00003 -0.00020 0.00012 175 2S 0.00063 0.00018 -0.00002 -0.00051 0.00021 176 17 H 1S -0.00077 0.00045 -0.00011 -0.00008 0.00013 177 2S -0.00088 -0.00030 0.00018 0.00009 -0.00014 178 18 H 1S -0.00054 -0.00055 0.00098 -0.00014 0.00117 179 2S 0.00006 -0.00277 0.00099 0.00087 0.00114 180 19 H 1S 0.00050 -0.00015 -0.00026 -0.00004 0.00001 181 2S 0.00018 0.00006 -0.00050 -0.00018 -0.00031 182 20 H 1S -0.00014 0.00004 0.00006 0.00017 0.00000 183 2S 0.00008 -0.00003 -0.00024 -0.00002 0.00006 184 21 H 1S -0.00010 -0.00015 0.00007 0.00012 -0.00005 185 2S -0.00029 0.00000 0.00022 0.00030 -0.00015 186 22 H 1S 0.00021 -0.00032 -0.00157 0.00023 -0.00065 187 2S 0.00130 -0.00042 -0.00217 0.00037 -0.00047 188 23 H 1S 0.00001 0.00039 0.00029 -0.00021 0.00001 189 2S 0.00042 0.00062 0.00048 -0.00079 0.00008 81 82 83 84 85 81 4YZ 0.00151 82 9 H 1S 0.00018 0.22350 83 2S 0.00080 0.17401 0.16576 84 10 C 1S -0.00007 -0.00094 -0.00199 2.05271 85 2S -0.00021 0.00273 0.00548 -0.06213 0.32497 86 2PX 0.00132 -0.00762 -0.01681 -0.00132 -0.00227 87 2PY -0.00016 0.00022 0.00112 0.00053 0.00162 88 2PZ 0.00089 -0.00252 -0.00553 -0.00083 0.00776 89 3S 0.00163 0.01086 0.01789 -0.16066 0.24763 90 3PX 0.00030 -0.00926 -0.01855 -0.00664 0.02275 91 3PY -0.00037 -0.00201 -0.00260 0.00378 -0.01619 92 3PZ 0.00150 -0.00085 -0.00355 0.00495 -0.01463 93 4XX -0.00002 -0.00050 -0.00101 -0.01431 -0.00947 94 4YY 0.00000 0.00037 0.00070 -0.01699 -0.00308 95 4ZZ 0.00006 0.00047 0.00082 -0.01612 -0.00534 96 4XY -0.00002 -0.00021 -0.00047 0.00088 -0.00123 97 4XZ -0.00001 -0.00017 -0.00026 0.00455 -0.00945 98 4YZ -0.00002 -0.00044 -0.00086 -0.00203 0.00342 99 11 C 1S 0.00035 0.00142 0.00191 0.01789 -0.03603 100 2S -0.00059 -0.00087 -0.00083 -0.03385 0.06177 101 2PX 0.00104 0.01077 0.02158 -0.05511 0.11742 102 2PY 0.00015 -0.00153 -0.00370 -0.03913 0.07561 103 2PZ 0.00079 0.00282 0.00567 0.04363 -0.08978 104 3S -0.00342 -0.01831 -0.02964 -0.00917 0.03349 105 3PX 0.00027 0.00439 0.00963 -0.01229 0.03506 106 3PY -0.00176 -0.01005 -0.01782 -0.00985 0.02577 107 3PZ 0.00115 0.00826 0.01473 0.00436 -0.01207 108 4XX 0.00021 0.00012 -0.00027 -0.00196 0.00316 109 4YY -0.00004 0.00009 0.00042 0.00152 -0.00337 110 4ZZ 0.00000 0.00020 0.00041 0.00017 -0.00118 111 4XY -0.00003 0.00012 0.00035 -0.00334 0.00666 112 4XZ 0.00017 -0.00031 -0.00087 0.00414 -0.00765 113 4YZ 0.00002 0.00004 0.00012 0.00299 -0.00600 114 12 C 1S 0.00031 -0.00148 -0.00290 -0.00300 0.00562 115 2S -0.00067 0.00242 0.00563 0.00650 -0.01505 116 2PX 0.00146 -0.00373 -0.00934 0.00840 -0.02187 117 2PY 0.00046 0.00104 0.00523 -0.00130 0.00315 118 2PZ -0.00005 0.00045 -0.00186 -0.01208 0.03133 119 3S -0.00142 0.00556 0.00908 0.00759 -0.01648 120 3PX 0.00148 -0.00050 -0.00122 0.00455 -0.00904 121 3PY 0.00139 0.00113 0.00426 -0.00410 0.00869 122 3PZ -0.00193 -0.00515 -0.01008 -0.00802 0.01865 123 4XX 0.00000 0.00001 0.00015 -0.00114 0.00235 124 4YY -0.00001 0.00012 0.00038 0.00068 -0.00152 125 4ZZ -0.00001 -0.00060 -0.00132 -0.00030 0.00016 126 4XY -0.00006 0.00026 0.00035 -0.00025 0.00073 127 4XZ 0.00007 -0.00048 -0.00118 0.00130 -0.00292 128 4YZ 0.00002 0.00012 0.00027 0.00054 -0.00141 129 13 C 1S -0.00012 -0.00148 -0.00291 -0.00267 0.00503 130 2S 0.00005 0.00243 0.00563 0.00480 -0.00884 131 2PX 0.00007 -0.00373 -0.00933 0.00207 -0.00443 132 2PY -0.00019 -0.00104 -0.00522 -0.00389 0.00856 133 2PZ 0.00002 0.00045 -0.00187 -0.00787 0.01255 134 3S 0.00011 0.00560 0.00917 0.01325 -0.02296 135 3PX -0.00039 -0.00050 -0.00121 0.00105 -0.00171 136 3PY 0.00016 -0.00113 -0.00426 -0.00348 0.00737 137 3PZ 0.00026 -0.00515 -0.01010 -0.00485 0.00736 138 4XX 0.00000 0.00001 0.00014 -0.00029 0.00034 139 4YY -0.00005 0.00012 0.00038 -0.00010 0.00025 140 4ZZ 0.00000 -0.00060 -0.00132 0.00024 -0.00042 141 4XY -0.00005 -0.00026 -0.00035 -0.00007 0.00035 142 4XZ 0.00002 -0.00048 -0.00118 -0.00019 0.00044 143 4YZ -0.00001 -0.00011 -0.00027 0.00019 -0.00081 144 14 C 1S 0.00000 0.00143 0.00191 -0.00340 0.00831 145 2S 0.00005 -0.00087 -0.00083 0.00823 -0.01879 146 2PX -0.00046 0.01077 0.02157 0.00833 -0.02657 147 2PY -0.00022 0.00153 0.00370 -0.01166 0.02673 148 2PZ -0.00047 0.00282 0.00565 -0.00447 0.01371 149 3S 0.00012 -0.01838 -0.02976 0.00597 -0.02040 150 3PX -0.00021 0.00434 0.00954 0.00437 -0.01396 151 3PY 0.00012 0.01008 0.01789 -0.00283 0.01068 152 3PZ -0.00030 0.00829 0.01475 -0.00411 0.00853 153 4XX 0.00002 0.00012 -0.00027 0.00055 -0.00122 154 4YY 0.00000 0.00009 0.00042 -0.00184 0.00439 155 4ZZ 0.00004 0.00020 0.00042 0.00071 -0.00115 156 4XY -0.00001 -0.00012 -0.00035 0.00100 -0.00186 157 4XZ 0.00002 -0.00031 -0.00087 -0.00063 0.00122 158 4YZ -0.00002 -0.00004 -0.00013 -0.00076 0.00146 159 15 C 1S 0.00002 -0.00095 -0.00200 0.01672 -0.03254 160 2S -0.00009 0.00273 0.00547 -0.03254 0.05577 161 2PX -0.00003 -0.00764 -0.01687 -0.00482 0.01034 162 2PY 0.00013 -0.00023 -0.00112 0.07797 -0.16058 163 2PZ -0.00002 -0.00254 -0.00557 -0.00353 0.00077 164 3S -0.00005 0.01094 0.01805 -0.00468 0.03452 165 3PX -0.00005 -0.00934 -0.01869 -0.00094 -0.00533 166 3PY -0.00005 0.00199 0.00255 0.01401 -0.04351 167 3PZ -0.00032 -0.00084 -0.00354 -0.00370 0.00935 168 4XX 0.00003 -0.00050 -0.00101 0.00249 -0.00553 169 4YY -0.00002 0.00037 0.00070 -0.00695 0.01218 170 4ZZ 0.00000 0.00047 0.00082 0.00269 -0.00612 171 4XY -0.00006 0.00021 0.00047 0.00016 0.00020 172 4XZ 0.00000 -0.00017 -0.00027 -0.00058 0.00150 173 4YZ -0.00005 0.00044 0.00086 -0.00019 -0.00008 174 16 H 1S 0.00002 -0.00069 -0.00181 -0.06015 0.11224 175 2S 0.00026 -0.00123 -0.00268 -0.01303 0.02495 176 17 H 1S -0.00054 -0.00049 0.00055 0.01211 -0.02454 177 2S -0.00048 -0.00051 0.00037 0.01362 -0.02472 178 18 H 1S -0.00064 0.00266 0.00703 -0.00759 0.01927 179 2S 0.00220 0.00728 0.01621 -0.01116 0.02903 180 19 H 1S -0.00004 0.00266 0.00702 -0.00059 0.00017 181 2S -0.00058 0.00726 0.01617 -0.00092 -0.00024 182 20 H 1S -0.00008 -0.00050 0.00055 -0.00849 0.01865 183 2S -0.00028 -0.00052 0.00034 -0.01195 0.02528 184 21 H 1S 0.00001 -0.00069 -0.00180 0.01228 -0.02561 185 2S 0.00001 -0.00121 -0.00265 0.01464 -0.02567 186 22 H 1S 0.00028 -0.00241 -0.00705 0.00157 -0.00345 187 2S 0.00097 -0.00500 -0.01207 0.00141 -0.00403 188 23 H 1S 0.00001 -0.00241 -0.00705 -0.00137 0.00184 189 2S -0.00007 -0.00501 -0.01207 -0.00228 0.00336 86 87 88 89 90 86 2PX 0.36895 87 2PY -0.00010 0.41338 88 2PZ -0.03335 -0.00266 0.39021 89 3S 0.01951 0.01126 -0.02945 0.25001 90 3PX 0.18139 -0.01275 0.07516 0.00533 0.11994 91 3PY -0.01324 0.13841 -0.02575 0.00773 -0.02131 92 3PZ 0.05966 -0.00571 0.16785 -0.01274 0.06572 93 4XX -0.00800 -0.00592 -0.00346 -0.00561 -0.00526 94 4YY 0.00425 0.01307 -0.00037 -0.00313 0.00157 95 4ZZ 0.00691 -0.01026 -0.00258 -0.00245 0.00264 96 4XY -0.00498 -0.00027 0.01074 -0.00261 0.00016 97 4XZ -0.00069 0.00920 0.00221 -0.00814 -0.00040 98 4YZ 0.00948 -0.00192 -0.01031 0.00706 0.00159 99 11 C 1S 0.05987 0.03628 -0.04302 0.01165 0.00738 100 2S -0.12158 -0.07549 0.08350 0.01684 -0.03360 101 2PX 0.00738 -0.13538 0.24246 0.04568 0.07543 102 2PY -0.13800 -0.05099 0.06417 0.10489 -0.06149 103 2PZ 0.21163 0.08023 -0.01509 -0.05010 0.08995 104 3S -0.13100 -0.05015 0.09085 -0.02622 -0.02877 105 3PX 0.04986 -0.06236 0.12898 -0.00789 0.06578 106 3PY -0.05364 -0.00548 0.02379 0.01886 -0.01765 107 3PZ 0.09570 0.03271 0.02882 -0.00663 0.05090 108 4XX 0.01090 -0.00514 0.00698 0.00430 0.00751 109 4YY 0.00152 0.01234 -0.00142 -0.00596 0.00072 110 4ZZ -0.00180 -0.00099 -0.01328 0.00226 -0.00471 111 4XY -0.00345 0.00257 0.00807 0.00402 0.00043 112 4XZ 0.00319 0.00662 -0.00046 -0.00597 0.00114 113 4YZ 0.00807 -0.00164 -0.00179 -0.00438 0.00323 114 12 C 1S -0.00514 -0.00156 0.01145 0.00522 -0.00086 115 2S 0.01444 0.00595 -0.02805 -0.00899 -0.00032 116 2PX -0.00069 0.01090 -0.03290 -0.02767 -0.00839 117 2PY -0.00225 0.00421 0.00686 -0.00920 0.00779 118 2PZ -0.04903 -0.00707 0.02309 0.00217 -0.01026 119 3S -0.00173 -0.01090 -0.07809 0.01671 -0.02529 120 3PX -0.00128 0.00744 -0.01499 -0.00631 -0.00641 121 3PY -0.00732 0.00447 0.02094 0.01090 0.00283 122 3PZ -0.04075 0.00835 0.02266 -0.00607 -0.00784 123 4XX 0.00087 -0.00219 0.00526 0.00156 0.00186 124 4YY 0.00309 0.00171 -0.00200 -0.00276 0.00146 125 4ZZ -0.00630 -0.00095 -0.00133 0.00089 -0.00368 126 4XY -0.00134 0.00012 -0.00010 0.00125 -0.00085 127 4XZ -0.00157 0.00304 -0.00927 -0.00203 -0.00285 128 4YZ 0.00385 0.00173 -0.00057 0.00073 0.00129 129 13 C 1S -0.00128 0.00374 0.00578 0.01090 -0.00010 130 2S -0.00214 -0.00680 -0.01509 -0.02106 -0.00216 131 2PX -0.00673 -0.00761 -0.00881 -0.01307 -0.00579 132 2PY -0.02850 -0.01165 0.00379 0.01901 -0.01994 133 2PZ 0.01130 0.02365 0.02040 0.07874 -0.00223 134 3S 0.02357 -0.03011 -0.00949 -0.06109 0.01894 135 3PX -0.00050 -0.00181 -0.00164 -0.00818 -0.00074 136 3PY -0.02763 -0.00896 -0.00192 0.01687 -0.01749 137 3PZ 0.00609 0.02430 0.00451 0.04100 -0.00215 138 4XX 0.00037 -0.00022 0.00077 0.00343 -0.00066 139 4YY -0.00061 0.00192 -0.00177 0.00111 -0.00062 140 4ZZ -0.00010 -0.00197 0.00058 -0.00283 0.00075 141 4XY -0.00023 -0.00100 0.00058 0.00078 -0.00013 142 4XZ 0.00101 0.00088 0.00064 0.00001 0.00164 143 4YZ 0.00128 0.00015 -0.00009 0.00128 -0.00001 144 14 C 1S -0.00083 0.01223 0.00587 -0.00303 0.00672 145 2S 0.00176 -0.03289 -0.01502 -0.01977 -0.00621 146 2PX -0.00636 -0.03170 -0.02712 0.05026 -0.04985 147 2PY -0.00246 0.03370 0.00712 0.09135 -0.00088 148 2PZ -0.02038 0.01506 -0.00548 -0.01047 -0.00959 149 3S 0.03768 -0.02411 -0.04548 -0.00894 0.00718 150 3PX -0.00484 -0.01849 -0.03618 0.03718 -0.03348 151 3PY -0.00146 -0.00566 0.01117 0.02368 0.00139 152 3PZ -0.03957 0.02542 -0.01411 0.01299 -0.03086 153 4XX 0.00655 -0.00245 0.00490 -0.00039 0.00409 154 4YY -0.00164 0.00977 0.00044 0.00672 -0.00057 155 4ZZ -0.00388 -0.00241 -0.00350 -0.00419 -0.00209 156 4XY -0.00105 -0.00570 -0.00147 -0.00341 0.00024 157 4XZ 0.00247 0.00137 0.00179 0.00158 0.00231 158 4YZ -0.00231 0.00453 -0.00110 0.00238 -0.00190 159 15 C 1S -0.00476 -0.07796 -0.00366 -0.00467 -0.00094 160 2S 0.01022 0.16057 0.00105 0.03449 -0.00532 161 2PX 0.11574 0.00864 0.08831 0.00801 0.08530 162 2PY -0.00835 -0.31237 -0.00065 -0.12663 -0.01481 163 2PZ 0.08835 0.00015 0.08701 0.05745 0.03722 164 3S 0.00795 0.12657 0.05763 -0.01750 0.01592 165 3PX 0.08532 0.01493 0.03724 0.01591 0.04727 166 3PY -0.01546 -0.09114 -0.01202 -0.01406 -0.01985 167 3PZ 0.04786 -0.01865 0.07387 0.02529 0.03340 168 4XX -0.00009 -0.00873 -0.00018 -0.00630 0.00087 169 4YY -0.00110 0.00581 0.00052 0.01204 0.00009 170 4ZZ -0.00091 -0.00925 -0.00157 -0.00574 -0.00114 171 4XY -0.01297 0.00144 -0.00017 -0.00227 -0.00623 172 4XZ 0.00060 0.00312 -0.00042 0.00358 0.00029 173 4YZ 0.00005 0.00024 -0.01358 0.00430 -0.00435 174 16 H 1S 0.13269 -0.13056 -0.18760 0.11508 0.03244 175 2S 0.12156 -0.11767 -0.18095 0.05422 0.01791 176 17 H 1S 0.02452 0.03578 -0.01200 -0.06199 0.01711 177 2S 0.04775 0.07147 -0.01043 -0.05921 0.02893 178 18 H 1S -0.00229 -0.01535 0.03244 0.01768 0.00672 179 2S 0.00210 -0.02109 0.07094 0.02298 0.01673 180 19 H 1S -0.00192 0.00229 -0.00059 0.01949 -0.00704 181 2S -0.00529 0.00697 -0.00755 0.02801 -0.01612 182 20 H 1S -0.00149 0.03520 0.00132 0.05610 -0.00091 183 2S -0.01063 0.06877 0.00308 0.06423 -0.00670 184 21 H 1S -0.01874 -0.04296 0.01315 -0.06040 0.00249 185 2S -0.03386 -0.08637 0.03928 -0.06761 0.00572 186 22 H 1S -0.02937 0.00309 -0.02864 -0.01227 -0.01938 187 2S -0.02938 -0.00014 -0.02535 -0.01118 -0.01795 188 23 H 1S 0.00283 -0.00018 0.00655 0.02057 -0.00051 189 2S 0.01501 -0.00380 0.01955 0.01850 0.01191 91 92 93 94 95 91 3PY 0.06235 92 3PZ -0.01393 0.09323 93 4XX 0.00007 -0.00248 0.00092 94 4YY 0.00297 0.00080 -0.00023 0.00114 95 4ZZ -0.00301 0.00046 0.00022 -0.00020 0.00089 96 4XY 0.00037 0.00330 0.00019 0.00000 -0.00032 97 4XZ 0.00260 0.00112 0.00007 0.00048 -0.00026 98 4YZ 0.00073 -0.00212 0.00003 -0.00015 0.00011 99 11 C 1S 0.00605 0.00474 -0.00160 0.00117 -0.00024 100 2S -0.00952 0.00617 0.00277 -0.00342 0.00007 101 2PX -0.09240 0.09979 -0.00837 -0.00217 0.00219 102 2PY 0.00958 0.00565 0.00424 -0.01332 0.00189 103 2PZ 0.03207 0.03879 -0.00520 0.00244 0.01018 104 3S -0.00110 0.00205 0.00394 -0.00285 -0.00162 105 3PX -0.05179 0.06086 -0.00569 0.00026 0.00269 106 3PY 0.00216 -0.00262 0.00159 -0.00408 -0.00056 107 3PZ -0.00023 0.03336 -0.00483 0.00198 0.00448 108 4XX -0.00330 0.00591 -0.00025 -0.00020 0.00012 109 4YY 0.00312 -0.00082 -0.00024 0.00096 -0.00047 110 4ZZ 0.00133 -0.00632 0.00025 -0.00038 0.00030 111 4XY -0.00007 0.00233 -0.00028 0.00009 -0.00028 112 4XZ 0.00283 0.00064 0.00009 0.00031 -0.00010 113 4YZ 0.00034 0.00096 0.00001 0.00002 0.00044 114 12 C 1S -0.00404 0.00805 -0.00047 0.00081 -0.00156 115 2S 0.00850 -0.01520 0.00036 -0.00158 0.00302 116 2PX 0.02939 -0.02847 0.00027 -0.00138 0.00378 117 2PY 0.00651 0.00235 -0.00009 0.00124 -0.00209 118 2PZ -0.03195 -0.00734 -0.00134 0.00398 -0.00733 119 3S 0.02143 -0.03847 0.00277 -0.00436 0.00350 120 3PX 0.01541 -0.01190 0.00006 -0.00070 0.00170 121 3PY 0.00709 0.00932 0.00007 -0.00008 -0.00118 122 3PZ -0.01121 -0.00483 -0.00042 0.00204 -0.00435 123 4XX -0.00297 0.00260 -0.00019 0.00007 -0.00013 124 4YY -0.00003 -0.00033 -0.00015 0.00035 -0.00005 125 4ZZ 0.00189 -0.00192 0.00036 -0.00033 0.00002 126 4XY -0.00104 0.00038 0.00004 -0.00002 -0.00015 127 4XZ 0.00235 -0.00493 0.00027 0.00010 -0.00019 128 4YZ 0.00182 0.00128 -0.00005 0.00011 0.00019 129 13 C 1S 0.00348 0.00343 0.00000 -0.00020 -0.00037 130 2S -0.00597 -0.00990 0.00002 0.00036 0.00057 131 2PX -0.01724 -0.00098 -0.00032 -0.00065 0.00085 132 2PY -0.00712 -0.00333 0.00082 -0.00190 0.00047 133 2PZ 0.02445 0.03400 -0.00066 0.00058 -0.00074 134 3S -0.02943 -0.00439 -0.00152 0.00206 0.00193 135 3PX -0.00911 0.00004 -0.00053 0.00004 0.00043 136 3PY -0.00057 -0.00541 0.00108 -0.00223 0.00055 137 3PZ 0.01697 0.01557 -0.00033 0.00056 -0.00068 138 4XX 0.00108 0.00115 0.00006 0.00000 -0.00005 139 4YY 0.00183 -0.00139 0.00004 -0.00008 0.00000 140 4ZZ -0.00254 0.00032 -0.00006 0.00004 0.00005 141 4XY -0.00123 0.00081 0.00002 -0.00002 -0.00008 142 4XZ -0.00060 0.00082 -0.00009 -0.00005 0.00005 143 4YZ 0.00086 0.00131 0.00003 -0.00008 0.00019 144 14 C 1S 0.00510 -0.00511 0.00018 -0.00096 -0.00025 145 2S -0.01886 -0.00130 -0.00040 0.00213 0.00080 146 2PX 0.02115 0.00970 0.00314 0.00146 -0.00073 147 2PY 0.05079 -0.00100 0.00095 -0.00420 -0.00076 148 2PZ 0.00771 -0.02947 0.00187 -0.00324 -0.00147 149 3S -0.01227 -0.00388 0.00002 0.00134 0.00112 150 3PX 0.01956 -0.00649 0.00305 -0.00080 -0.00046 151 3PY 0.00589 0.00065 -0.00038 -0.00087 0.00001 152 3PZ 0.01854 -0.02247 0.00162 -0.00086 -0.00207 153 4XX -0.00039 0.00388 0.00008 0.00005 -0.00004 154 4YY 0.00498 -0.00061 -0.00015 -0.00003 -0.00027 155 4ZZ -0.00246 -0.00267 0.00001 -0.00001 0.00015 156 4XY -0.00201 -0.00151 0.00021 -0.00031 0.00018 157 4XZ 0.00038 0.00107 -0.00001 -0.00021 -0.00003 158 4YZ 0.00140 -0.00022 -0.00008 0.00023 -0.00018 159 15 C 1S -0.01399 -0.00373 0.00249 -0.00695 0.00269 160 2S 0.04346 0.00944 -0.00552 0.01218 -0.00612 161 2PX 0.01558 0.04782 -0.00012 -0.00107 -0.00092 162 2PY -0.09114 0.01846 0.00872 -0.00580 0.00926 163 2PZ 0.01181 0.07395 -0.00016 0.00048 -0.00152 164 3S 0.01401 0.02529 -0.00631 0.01206 -0.00575 165 3PX 0.01989 0.03344 0.00086 0.00009 -0.00114 166 3PY -0.01363 0.00056 0.00383 -0.00269 0.00260 167 3PZ -0.00060 0.04480 0.00016 -0.00090 -0.00105 168 4XX -0.00383 0.00015 0.00022 -0.00029 0.00036 169 4YY 0.00269 -0.00089 -0.00029 -0.00016 -0.00028 170 4ZZ -0.00259 -0.00106 0.00036 -0.00028 0.00033 171 4XY 0.00083 -0.00341 0.00031 -0.00013 -0.00028 172 4XZ 0.00185 -0.00022 0.00000 -0.00023 -0.00005 173 4YZ 0.00193 -0.00545 0.00020 -0.00009 0.00003 174 16 H 1S -0.03905 -0.05975 -0.00192 -0.00409 0.00552 175 2S -0.02553 -0.05145 0.00070 -0.00364 0.00648 176 17 H 1S 0.00231 -0.00667 -0.00145 0.00807 -0.00274 177 2S 0.00595 -0.00121 -0.00307 0.00889 -0.00330 178 18 H 1S -0.02875 0.01865 -0.00090 0.00034 -0.00156 179 2S -0.03784 0.03875 -0.00253 0.00078 -0.00124 180 19 H 1S 0.01406 0.00041 0.00055 0.00013 -0.00008 181 2S 0.02151 -0.00391 0.00080 0.00005 -0.00012 182 20 H 1S 0.03258 -0.00067 -0.00029 -0.00127 -0.00082 183 2S 0.04801 -0.00208 -0.00007 -0.00118 -0.00193 184 21 H 1S -0.01988 -0.00282 0.00081 0.00187 0.00079 185 2S -0.03822 0.00220 0.00160 -0.00149 0.00191 186 22 H 1S 0.00436 -0.03018 0.00081 -0.00014 -0.00072 187 2S 0.00457 -0.02565 0.00164 -0.00013 -0.00169 188 23 H 1S -0.00489 0.01532 -0.00054 -0.00031 0.00069 189 2S -0.00768 0.02316 -0.00055 -0.00064 0.00071 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00017 0.00067 98 4YZ -0.00042 -0.00028 0.00117 99 11 C 1S -0.00374 0.00329 0.00332 2.05498 100 2S 0.00672 -0.00636 -0.00627 -0.06133 0.32634 101 2PX 0.00235 -0.00295 -0.00858 -0.00315 0.00482 102 2PY -0.00161 -0.00725 0.00160 0.00191 0.00377 103 2PZ -0.00839 -0.00074 0.00096 0.00214 0.00093 104 3S 0.00854 -0.00401 -0.00762 -0.19776 0.29063 105 3PX -0.00002 -0.00054 -0.00549 0.00757 -0.01602 106 3PY -0.00026 -0.00162 0.00012 -0.00757 -0.00823 107 3PZ -0.00455 -0.00042 -0.00163 0.00296 -0.00461 108 4XX -0.00005 -0.00004 0.00034 -0.01132 -0.01297 109 4YY 0.00024 0.00056 -0.00029 -0.01838 0.00158 110 4ZZ -0.00056 -0.00018 0.00043 -0.01398 -0.00730 111 4XY 0.00027 -0.00003 -0.00026 -0.00161 0.00345 112 4XZ 0.00010 0.00045 0.00003 0.00249 -0.00560 113 4YZ -0.00010 -0.00005 0.00013 -0.00081 0.00154 114 12 C 1S 0.00079 0.00073 -0.00027 0.01252 -0.02297 115 2S -0.00173 -0.00157 0.00069 -0.02336 0.03914 116 2PX -0.00102 -0.00130 0.00014 -0.01712 0.03382 117 2PY 0.00249 0.00115 0.00024 0.02344 -0.04856 118 2PZ 0.00401 0.00608 -0.00073 0.06433 -0.13744 119 3S -0.00171 -0.00279 0.00356 0.00257 0.02397 120 3PX -0.00039 -0.00060 0.00016 -0.00271 0.01331 121 3PY 0.00209 0.00025 -0.00023 0.00570 -0.01143 122 3PZ 0.00270 0.00305 -0.00127 0.01310 -0.04404 123 4XX 0.00005 0.00013 -0.00012 0.00196 -0.00450 124 4YY 0.00000 0.00017 -0.00008 0.00081 -0.00224 125 4ZZ 0.00010 -0.00024 0.00004 -0.00457 0.00848 126 4XY 0.00001 0.00004 0.00002 0.00115 -0.00204 127 4XZ 0.00001 0.00023 0.00032 0.00265 -0.00525 128 4YZ -0.00008 -0.00012 -0.00005 -0.00409 0.00766 129 13 C 1S -0.00004 -0.00009 0.00021 -0.00202 0.00420 130 2S 0.00040 0.00017 -0.00066 0.00459 -0.00918 131 2PX -0.00037 -0.00005 -0.00122 0.00180 -0.00338 132 2PY -0.00034 -0.00073 -0.00083 -0.01024 0.02611 133 2PZ -0.00159 0.00000 0.00019 -0.00337 0.01376 134 3S -0.00050 0.00079 -0.00336 -0.00081 -0.01381 135 3PX -0.00021 0.00014 -0.00073 -0.00043 -0.00408 136 3PY -0.00015 -0.00102 -0.00067 -0.00686 0.01928 137 3PZ -0.00145 0.00002 0.00060 0.00015 0.00718 138 4XX 0.00006 -0.00003 0.00020 -0.00043 0.00104 139 4YY 0.00012 -0.00001 0.00000 -0.00056 0.00087 140 4ZZ -0.00026 0.00002 -0.00013 0.00017 -0.00091 141 4XY 0.00008 0.00002 0.00000 0.00034 -0.00060 142 4XZ -0.00014 0.00004 -0.00038 0.00007 -0.00013 143 4YZ -0.00027 -0.00018 0.00006 -0.00151 0.00341 144 14 C 1S 0.00180 0.00009 -0.00116 -0.00468 0.00678 145 2S -0.00376 -0.00017 0.00223 0.00678 -0.01943 146 2PX 0.00179 -0.00174 0.01077 -0.00441 0.01487 147 2PY 0.00591 -0.00001 -0.00219 -0.01024 0.02845 148 2PZ 0.00819 0.00049 0.00079 -0.00218 0.00305 149 3S -0.00564 -0.00037 0.00432 0.02824 -0.03181 150 3PX 0.00236 -0.00134 0.00703 -0.00344 0.01212 151 3PY 0.00276 0.00020 -0.00146 -0.01060 0.00749 152 3PZ 0.00457 0.00042 0.00175 -0.00233 0.00642 153 4XX 0.00039 0.00001 0.00032 -0.00045 -0.00045 154 4YY 0.00013 0.00009 -0.00012 -0.00084 0.00068 155 4ZZ -0.00015 0.00001 -0.00047 -0.00046 0.00014 156 4XY 0.00009 -0.00005 -0.00023 -0.00044 0.00070 157 4XZ 0.00008 0.00004 -0.00001 -0.00005 -0.00038 158 4YZ -0.00029 0.00004 0.00003 -0.00001 0.00005 159 15 C 1S -0.00015 -0.00058 0.00017 -0.00340 0.00823 160 2S -0.00022 0.00150 0.00012 0.00831 -0.01880 161 2PX 0.01297 0.00062 -0.00004 -0.00082 0.00171 162 2PY 0.00147 -0.00312 0.00019 -0.01225 0.03291 163 2PZ 0.00018 -0.00044 0.01359 0.00586 -0.01499 164 3S 0.00224 0.00359 -0.00426 -0.00302 -0.01978 165 3PX 0.00624 0.00029 0.00436 0.00672 -0.00624 166 3PY 0.00084 -0.00186 0.00192 -0.00509 0.01885 167 3PZ 0.00342 -0.00022 0.00546 -0.00511 -0.00130 168 4XX -0.00031 0.00000 -0.00020 0.00018 -0.00040 169 4YY 0.00013 -0.00023 0.00009 -0.00097 0.00214 170 4ZZ 0.00028 -0.00005 -0.00003 -0.00025 0.00079 171 4XY 0.00043 0.00005 -0.00050 -0.00180 0.00376 172 4XZ -0.00005 0.00004 0.00011 0.00008 -0.00016 173 4YZ -0.00050 -0.00011 0.00081 0.00116 -0.00224 174 16 H 1S -0.00785 -0.00829 0.01086 0.01338 -0.02791 175 2S -0.00773 -0.00609 0.01061 0.01888 -0.03229 176 17 H 1S 0.00410 0.00313 -0.00348 -0.05969 0.11295 177 2S 0.00214 0.00474 -0.00261 -0.01311 0.02597 178 18 H 1S 0.00015 0.00073 -0.00083 0.00809 -0.01963 179 2S 0.00045 0.00081 -0.00266 0.01421 -0.02687 180 19 H 1S 0.00000 -0.00035 0.00131 -0.00422 0.01110 181 2S 0.00028 -0.00060 0.00304 -0.00628 0.01442 182 20 H 1S 0.00167 0.00028 -0.00090 -0.00252 0.00795 183 2S 0.00249 0.00048 -0.00055 -0.00361 0.01395 184 21 H 1S 0.00512 0.00003 -0.00716 -0.00753 0.01708 185 2S 0.00529 -0.00048 -0.00783 -0.01234 0.02411 186 22 H 1S 0.00062 0.00133 0.00077 0.00809 -0.02346 187 2S 0.00142 0.00150 0.00146 0.01254 -0.02987 188 23 H 1S -0.00159 -0.00023 -0.00150 -0.00193 0.00809 189 2S -0.00180 -0.00036 -0.00143 -0.00257 0.00828 101 102 103 104 105 101 2PX 0.35439 102 2PY 0.02302 0.41152 103 2PZ -0.03997 0.00391 0.38402 104 3S -0.01217 -0.00350 -0.02805 0.30042 105 3PX 0.19643 -0.01983 0.03220 -0.02125 0.12493 106 3PY 0.00466 0.13003 -0.01762 0.00558 -0.00627 107 3PZ 0.04859 -0.01432 0.17018 -0.02576 0.05278 108 4XX 0.00888 0.00493 -0.00135 -0.01129 0.00518 109 4YY -0.00427 -0.02195 -0.00257 0.00386 -0.00113 110 4ZZ -0.00781 0.01078 0.00472 -0.00678 -0.00449 111 4XY 0.00762 -0.00003 -0.00416 0.00321 0.00320 112 4XZ -0.00452 -0.00528 0.00114 -0.00351 -0.00169 113 4YZ -0.00335 -0.00235 0.01081 0.00062 -0.00006 114 12 C 1S 0.02146 -0.02951 -0.05187 -0.00157 0.00447 115 2S -0.04305 0.05537 0.10801 0.01520 -0.01065 116 2PX 0.00045 0.02747 0.08319 0.03863 0.00009 117 2PY 0.02052 -0.03134 -0.11020 -0.03612 0.00741 118 2PZ 0.10122 -0.12184 -0.23465 -0.11063 0.03887 119 3S -0.09370 0.11171 0.08691 0.00027 -0.04855 120 3PX -0.00006 0.01602 0.03744 0.01156 -0.00166 121 3PY 0.01354 0.00271 -0.05327 -0.00985 0.00131 122 3PZ 0.04357 -0.05761 -0.11721 -0.02322 0.01622 123 4XX 0.00736 -0.00166 -0.00375 -0.00464 0.00411 124 4YY 0.00073 -0.00982 -0.00227 -0.00178 0.00125 125 4ZZ -0.00575 0.00738 0.00104 0.00861 -0.00456 126 4XY -0.00142 0.00104 -0.00361 -0.00249 -0.00118 127 4XZ -0.00784 -0.00344 -0.00573 -0.00332 -0.00506 128 4YZ -0.00392 -0.00344 0.00868 0.00611 -0.00154 129 13 C 1S -0.00310 0.00913 0.00490 0.00385 -0.00368 130 2S 0.00432 -0.01812 -0.01664 -0.00945 0.00481 131 2PX 0.00565 -0.00362 -0.00162 -0.01300 -0.00200 132 2PY -0.00238 0.03525 0.03068 0.02809 -0.00942 133 2PZ -0.00369 0.00755 0.02390 -0.00620 -0.01453 134 3S 0.04775 -0.07648 0.00214 -0.01020 0.04242 135 3PX 0.00899 -0.00860 0.00185 -0.00775 0.00409 136 3PY -0.00925 0.05185 0.01858 0.01838 -0.01155 137 3PZ -0.01329 0.00335 0.01589 -0.00338 -0.01373 138 4XX -0.00159 0.00085 -0.00002 0.00059 -0.00184 139 4YY -0.00257 0.00191 0.00052 0.00051 -0.00137 140 4ZZ 0.00294 -0.00150 0.00092 -0.00049 0.00226 141 4XY -0.00054 -0.00070 -0.00295 -0.00114 -0.00075 142 4XZ 0.00227 -0.00069 0.00231 0.00027 0.00192 143 4YZ -0.00258 0.00453 0.00723 0.00211 -0.00125 144 14 C 1S -0.00446 0.01024 -0.00219 0.02825 -0.00349 145 2S 0.01500 -0.02847 0.00307 -0.03183 0.01222 146 2PX -0.09411 0.02683 -0.03861 -0.02306 -0.08550 147 2PY -0.02693 0.03619 -0.01446 0.03177 -0.02909 148 2PZ -0.03869 0.01458 -0.06997 0.02406 -0.03410 149 3S -0.02293 -0.03188 0.02406 -0.04410 -0.00576 150 3PX -0.08557 0.02902 -0.03404 -0.00584 -0.07057 151 3PY 0.01958 -0.01164 -0.01756 0.00611 0.00676 152 3PZ -0.04464 0.01710 -0.05608 0.01060 -0.04021 153 4XX -0.00092 -0.00052 -0.00105 0.00048 -0.00075 154 4YY -0.00196 0.00122 -0.00054 0.00050 -0.00168 155 4ZZ 0.00232 -0.00074 0.00066 0.00055 0.00205 156 4XY 0.00076 0.00097 -0.00145 0.00202 0.00098 157 4XZ 0.00002 -0.00024 -0.00003 0.00018 -0.00004 158 4YZ -0.00161 0.00042 0.00128 -0.00050 -0.00116 159 15 C 1S 0.00831 0.01168 -0.00445 0.00597 0.00436 160 2S -0.02653 -0.02677 0.01367 -0.02037 -0.01393 161 2PX -0.00642 0.00246 -0.02038 0.03771 -0.00498 162 2PY 0.03167 0.03378 -0.01504 0.02421 0.01849 163 2PZ -0.02710 -0.00708 -0.00553 -0.04543 -0.03624 164 3S 0.05045 -0.09129 -0.01054 -0.00893 0.03728 165 3PX -0.04994 0.00080 -0.00964 0.00721 -0.03361 166 3PY -0.02134 0.05080 -0.00760 0.01228 -0.01965 167 3PZ 0.00963 0.00114 -0.02947 -0.00387 -0.00661 168 4XX 0.00314 -0.00096 0.00188 0.00001 0.00305 169 4YY 0.00148 0.00423 -0.00325 0.00136 -0.00078 170 4ZZ -0.00076 0.00076 -0.00147 0.00111 -0.00047 171 4XY -0.00179 0.00592 -0.00818 0.00563 -0.00236 172 4XZ -0.00173 0.00002 0.00048 -0.00036 -0.00133 173 4YZ -0.01076 -0.00219 -0.00079 -0.00433 -0.00703 174 16 H 1S -0.03269 -0.00426 0.03215 -0.05772 -0.01768 175 2S -0.07740 0.00132 0.06795 -0.05899 -0.03767 176 17 H 1S -0.02932 -0.26414 -0.02289 0.11234 -0.00495 177 2S -0.00919 -0.24492 -0.02222 0.03321 0.01111 178 18 H 1S 0.02500 -0.00181 -0.02345 -0.03205 0.01670 179 2S 0.08203 -0.01214 -0.02896 -0.04471 0.04625 180 19 H 1S -0.01223 0.01108 0.01097 0.01105 -0.00908 181 2S -0.02775 0.02015 0.01343 0.01064 -0.02203 182 20 H 1S -0.01090 0.00925 -0.00291 0.00541 -0.01176 183 2S -0.03440 0.02542 -0.00581 0.01443 -0.02820 184 21 H 1S 0.03029 0.01514 -0.01497 0.04154 0.02561 185 2S 0.06560 0.03050 -0.02982 0.04889 0.04369 186 22 H 1S 0.00303 -0.00512 -0.02614 -0.01620 -0.00410 187 2S -0.00774 -0.01026 -0.05904 -0.01437 -0.01449 188 23 H 1S 0.00892 0.00397 0.02440 -0.00363 0.00075 189 2S 0.01196 0.01242 0.03381 0.00095 0.00615 106 107 108 109 110 106 3PY 0.05320 107 3PZ -0.01516 0.09658 108 4XX 0.00166 0.00076 0.00149 109 4YY -0.00652 -0.00039 -0.00052 0.00186 110 4ZZ 0.00329 -0.00006 0.00007 -0.00073 0.00145 111 4XY 0.00012 -0.00028 0.00000 0.00013 -0.00035 112 4XZ -0.00145 -0.00063 0.00001 0.00039 -0.00006 113 4YZ -0.00164 0.00357 -0.00014 0.00011 0.00004 114 12 C 1S -0.00706 -0.00574 0.00165 0.00169 -0.00512 115 2S 0.01662 0.02431 -0.00383 -0.00347 0.00885 116 2PX 0.00296 0.01554 -0.00731 -0.00096 0.00571 117 2PY -0.01291 -0.05077 0.00064 0.00949 -0.00772 118 2PZ -0.01873 -0.09079 0.00543 0.00366 0.00067 119 3S 0.02855 -0.00065 -0.00364 -0.00685 0.01172 120 3PX -0.00036 0.00756 -0.00317 -0.00064 0.00266 121 3PY -0.00472 -0.02374 0.00081 0.00361 -0.00391 122 3PZ -0.00270 -0.04787 0.00128 0.00257 -0.00033 123 4XX 0.00008 0.00010 0.00055 -0.00029 0.00004 124 4YY -0.00342 -0.00015 -0.00011 0.00084 -0.00055 125 4ZZ 0.00229 -0.00148 -0.00043 -0.00039 0.00029 126 4XY 0.00060 -0.00104 0.00026 -0.00005 -0.00009 127 4XZ -0.00034 -0.00513 -0.00024 0.00016 0.00052 128 4YZ -0.00277 0.00415 -0.00030 0.00031 -0.00033 129 13 C 1S 0.00396 0.00182 0.00030 -0.00148 0.00048 130 2S -0.00899 -0.00700 -0.00104 0.00319 -0.00116 131 2PX -0.00019 0.00413 -0.00015 0.00054 -0.00019 132 2PY 0.01239 0.02230 0.00101 -0.00817 0.00391 133 2PZ -0.02517 0.02493 0.00235 -0.00101 0.00006 134 3S -0.02366 0.01384 -0.00084 0.00540 -0.00337 135 3PX -0.00203 0.00494 -0.00010 0.00059 -0.00022 136 3PY 0.01564 0.00893 0.00038 -0.00566 0.00313 137 3PZ -0.01144 0.01344 0.00078 0.00002 -0.00023 138 4XX -0.00079 -0.00001 0.00012 -0.00023 0.00006 139 4YY 0.00036 -0.00118 -0.00021 0.00009 0.00022 140 4ZZ 0.00066 0.00161 0.00010 -0.00009 -0.00005 141 4XY -0.00018 -0.00084 0.00020 0.00003 -0.00017 142 4XZ -0.00021 0.00236 0.00014 0.00003 -0.00008 143 4YZ 0.00038 0.00342 -0.00004 -0.00020 0.00002 144 14 C 1S 0.01063 -0.00234 -0.00045 -0.00084 -0.00046 145 2S -0.00753 0.00648 -0.00045 0.00068 0.00014 146 2PX -0.01950 -0.04463 -0.00092 -0.00196 0.00232 147 2PY -0.01165 -0.01710 0.00052 -0.00122 0.00074 148 2PZ 0.01768 -0.05611 -0.00106 -0.00053 0.00066 149 3S -0.00618 0.01064 0.00048 0.00050 0.00055 150 3PX -0.00669 -0.04024 -0.00074 -0.00169 0.00204 151 3PY -0.01300 -0.00668 0.00022 0.00039 -0.00018 152 3PZ 0.00676 -0.04211 -0.00188 -0.00020 0.00145 153 4XX -0.00022 -0.00188 0.00045 -0.00016 -0.00017 154 4YY -0.00039 -0.00021 -0.00016 0.00037 -0.00008 155 4ZZ 0.00018 0.00145 -0.00017 -0.00008 0.00018 156 4XY 0.00099 -0.00105 0.00001 -0.00015 0.00005 157 4XZ 0.00026 0.00009 0.00019 0.00005 -0.00012 158 4YZ 0.00007 0.00136 -0.00007 -0.00004 0.00014 159 15 C 1S 0.00284 -0.00411 0.00055 -0.00185 0.00071 160 2S -0.01069 0.00851 -0.00122 0.00439 -0.00116 161 2PX 0.00160 -0.03959 0.00653 -0.00163 -0.00388 162 2PY -0.00561 -0.02549 0.00246 -0.00979 0.00242 163 2PZ -0.01117 -0.01417 0.00489 0.00043 -0.00350 164 3S -0.02368 0.01305 -0.00039 0.00673 -0.00420 165 3PX -0.00132 -0.03093 0.00408 -0.00057 -0.00209 166 3PY 0.00592 -0.01857 0.00039 -0.00499 0.00247 167 3PZ -0.00060 -0.02249 0.00387 -0.00061 -0.00267 168 4XX 0.00037 0.00163 0.00008 -0.00015 0.00001 169 4YY 0.00089 -0.00087 0.00005 -0.00003 -0.00001 170 4ZZ -0.00001 -0.00208 -0.00004 -0.00027 0.00015 171 4XY 0.00276 -0.00456 -0.00039 -0.00013 0.00015 172 4XZ -0.00020 0.00042 0.00001 0.00009 0.00001 173 4YZ -0.00146 -0.00175 -0.00032 0.00012 0.00047 174 16 H 1S -0.01042 0.00729 0.00308 -0.00535 0.00632 175 2S -0.01148 0.01281 0.00158 -0.00516 0.00695 176 17 H 1S -0.08409 -0.00414 -0.00852 0.01671 -0.00993 177 2S -0.07232 0.00209 -0.00500 0.01588 -0.00874 178 18 H 1S 0.00583 0.00224 0.00458 -0.00286 0.00115 179 2S -0.00375 0.01697 0.00610 -0.00198 -0.00221 180 19 H 1S -0.00455 0.00282 -0.00024 -0.00155 0.00123 181 2S -0.00340 -0.00194 -0.00114 -0.00211 0.00239 182 20 H 1S -0.00990 -0.00328 -0.00021 0.00086 -0.00008 183 2S -0.00401 -0.00909 -0.00090 0.00150 -0.00030 184 21 H 1S 0.00662 -0.01359 0.00034 -0.00257 0.00002 185 2S 0.01576 -0.01523 0.00109 -0.00387 -0.00050 186 22 H 1S 0.00735 -0.02955 -0.00245 -0.00242 0.00811 187 2S 0.00681 -0.04307 -0.00104 -0.00165 0.00535 188 23 H 1S -0.00948 0.02494 0.00137 -0.00100 -0.00013 189 2S -0.00183 0.02862 0.00250 -0.00203 -0.00038 111 112 113 114 115 111 4XY 0.00042 112 4XZ -0.00009 0.00069 113 4YZ -0.00027 0.00008 0.00065 114 12 C 1S 0.00133 0.00200 -0.00339 2.05092 115 2S -0.00249 -0.00368 0.00663 -0.05341 0.30682 116 2PX 0.00080 0.00910 0.00319 0.00090 -0.00095 117 2PY -0.00066 0.00272 0.00441 0.00199 -0.00122 118 2PZ 0.00406 0.00360 -0.00853 -0.00338 0.00249 119 3S -0.00382 -0.00373 0.00653 -0.18586 0.27975 120 3PX 0.00043 0.00421 0.00139 0.00226 -0.00386 121 3PY 0.00012 0.00107 0.00184 -0.00043 -0.00254 122 3PZ 0.00240 0.00118 -0.00426 -0.00163 0.00937 123 4XX 0.00017 -0.00027 -0.00039 -0.01787 0.00019 124 4YY -0.00004 0.00019 0.00020 -0.01551 -0.00514 125 4ZZ 0.00001 0.00011 -0.00009 -0.01630 -0.00351 126 4XY -0.00006 -0.00038 -0.00013 -0.00056 0.00106 127 4XZ -0.00012 0.00062 -0.00011 -0.00050 0.00110 128 4YZ -0.00008 -0.00002 0.00031 0.00140 -0.00269 129 13 C 1S 0.00035 -0.00008 -0.00111 0.01015 -0.01940 130 2S -0.00074 0.00026 0.00199 -0.01940 0.03034 131 2PX 0.00001 -0.00081 0.00033 -0.00028 0.00115 132 2PY 0.00174 -0.00099 -0.00725 0.06233 -0.12841 133 2PZ 0.00057 0.00056 -0.00108 0.00373 -0.00778 134 3S -0.00077 0.00033 0.00251 0.00627 0.00956 135 3PX 0.00018 -0.00058 0.00018 -0.00051 0.00150 136 3PY 0.00046 -0.00110 -0.00319 0.01397 -0.04158 137 3PZ 0.00014 0.00060 -0.00055 0.00322 -0.00966 138 4XX 0.00006 0.00005 -0.00021 0.00206 -0.00506 139 4YY -0.00008 -0.00008 0.00034 -0.00683 0.01180 140 4ZZ 0.00001 -0.00003 -0.00021 0.00208 -0.00477 141 4XY -0.00002 -0.00028 -0.00007 0.00001 -0.00002 142 4XZ -0.00002 0.00001 -0.00004 0.00011 -0.00018 143 4YZ -0.00012 -0.00009 0.00018 0.00031 -0.00028 144 14 C 1S 0.00044 -0.00005 0.00001 -0.00202 0.00459 145 2S -0.00070 -0.00038 -0.00004 0.00420 -0.00918 146 2PX -0.00076 0.00001 0.00160 -0.00309 0.00430 147 2PY 0.00097 0.00024 0.00042 -0.00914 0.01815 148 2PZ 0.00146 -0.00002 -0.00128 0.00489 -0.01662 149 3S -0.00203 0.00018 0.00050 0.00384 -0.00944 150 3PX -0.00098 -0.00004 0.00116 -0.00367 0.00478 151 3PY 0.00099 -0.00026 0.00008 -0.00396 0.00900 152 3PZ 0.00104 0.00010 -0.00136 0.00182 -0.00698 153 4XX -0.00001 0.00018 0.00007 0.00030 -0.00104 154 4YY 0.00015 0.00005 0.00004 -0.00149 0.00320 155 4ZZ -0.00005 -0.00012 -0.00014 0.00048 -0.00117 156 4XY -0.00013 -0.00004 0.00005 -0.00034 0.00074 157 4XZ 0.00004 0.00005 0.00000 -0.00008 0.00025 158 4YZ 0.00005 0.00000 -0.00025 0.00110 -0.00198 159 15 C 1S -0.00099 -0.00064 0.00075 -0.00266 0.00479 160 2S 0.00185 0.00123 -0.00144 0.00503 -0.00883 161 2PX 0.00107 0.00246 0.00232 -0.00128 -0.00214 162 2PY -0.00568 -0.00139 0.00451 -0.00376 0.00682 163 2PZ 0.00146 0.00178 0.00112 0.00576 -0.01506 164 3S 0.00341 0.00159 -0.00235 0.01091 -0.02104 165 3PX -0.00024 0.00231 0.00190 -0.00010 -0.00217 166 3PY -0.00201 -0.00038 0.00139 -0.00350 0.00598 167 3PZ 0.00151 0.00107 0.00022 0.00342 -0.00989 168 4XX -0.00021 -0.00001 0.00008 0.00000 0.00002 169 4YY 0.00031 -0.00021 -0.00023 -0.00020 0.00036 170 4ZZ -0.00018 -0.00003 0.00018 -0.00037 0.00057 171 4XY 0.00009 -0.00008 -0.00029 0.00004 -0.00041 172 4XZ 0.00005 0.00004 -0.00004 -0.00009 0.00017 173 4YZ -0.00023 0.00001 0.00003 -0.00021 0.00066 174 16 H 1S -0.00349 -0.00387 0.00210 -0.00710 0.01561 175 2S -0.00519 -0.00177 0.00392 -0.00909 0.02150 176 17 H 1S 0.00154 0.00194 0.00173 0.01166 -0.02374 177 2S 0.00134 0.00309 0.00107 0.01409 -0.02636 178 18 H 1S 0.00002 -0.00706 -0.00220 -0.05306 0.10305 179 2S 0.00148 -0.00574 -0.00328 -0.00470 0.02008 180 19 H 1S 0.00019 0.00082 -0.00098 0.00761 -0.02000 181 2S 0.00041 0.00093 -0.00076 0.00793 -0.01756 182 20 H 1S 0.00059 0.00023 0.00041 -0.00717 0.01458 183 2S 0.00078 0.00062 0.00057 -0.00907 0.01876 184 21 H 1S -0.00085 -0.00030 0.00057 -0.00090 0.00147 185 2S -0.00037 -0.00117 0.00017 -0.00047 -0.00005 186 22 H 1S 0.00105 0.00401 -0.00145 -0.05286 0.10195 187 2S 0.00102 0.00503 -0.00280 -0.00701 0.02105 188 23 H 1S 0.00010 -0.00069 -0.00105 0.00840 -0.02008 189 2S -0.00006 -0.00099 -0.00117 0.01009 -0.02084 116 117 118 119 120 116 2PX 0.41186 117 2PY 0.00500 0.38125 118 2PZ 0.00314 -0.00574 0.38896 119 3S 0.00648 0.00795 -0.02478 0.30206 120 3PX 0.18596 0.00357 -0.00070 0.00137 0.08586 121 3PY -0.00074 0.17353 -0.00967 0.00728 0.00188 122 3PZ -0.00746 -0.00609 0.17987 -0.00698 -0.00655 123 4XX -0.01073 -0.01030 0.01113 -0.00036 -0.00492 124 4YY -0.00057 0.01508 -0.00100 -0.00513 -0.00020 125 4ZZ 0.01055 -0.00819 -0.00581 -0.00015 0.00478 126 4XY -0.01583 -0.00030 -0.00040 0.00118 -0.00725 127 4XZ 0.01491 0.00053 0.01189 0.00236 0.00663 128 4YZ 0.00003 0.00072 -0.01283 -0.00251 0.00016 129 13 C 1S -0.00025 -0.06234 0.00363 0.00627 -0.00051 130 2S 0.00110 0.12842 -0.00757 0.00956 0.00149 131 2PX -0.00075 -0.00190 -0.00493 -0.00441 -0.00513 132 2PY 0.00204 -0.31488 0.00185 -0.12578 0.00288 133 2PZ -0.00492 -0.00238 0.00696 -0.00434 0.00111 134 3S -0.00450 0.12580 -0.00414 -0.03255 -0.00253 135 3PX -0.00516 -0.00282 0.00108 -0.00252 -0.00533 136 3PY 0.00017 -0.14639 -0.01490 -0.03363 0.00181 137 3PZ 0.00076 0.00196 -0.00678 -0.00817 0.00278 138 4XX 0.00024 -0.00708 0.00043 -0.00421 0.00048 139 4YY 0.00036 0.00827 0.00048 0.01297 0.00017 140 4ZZ -0.00063 -0.00813 0.00080 -0.00656 -0.00073 141 4XY -0.01155 -0.00034 -0.00029 0.00016 -0.00535 142 4XZ -0.00065 0.00060 -0.00059 -0.00163 -0.00063 143 4YZ -0.00043 0.00010 -0.01048 -0.00037 -0.00012 144 14 C 1S 0.00179 0.01024 -0.00336 -0.00082 -0.00044 145 2S -0.00335 -0.02612 0.01372 -0.01381 -0.00407 146 2PX 0.00566 0.00233 -0.00368 0.04761 0.00895 147 2PY 0.00360 0.03531 -0.00754 0.07651 0.00860 148 2PZ -0.00157 -0.03068 0.02386 0.00222 0.00186 149 3S -0.01286 -0.02808 -0.00625 -0.01018 -0.00768 150 3PX -0.00202 0.00941 -0.01452 0.04232 0.00405 151 3PY 0.00012 0.01241 0.02511 0.02364 0.00200 152 3PZ 0.00419 -0.02232 0.02495 0.01382 0.00495 153 4XX -0.00016 -0.00102 0.00235 -0.00084 -0.00010 154 4YY 0.00053 0.00819 -0.00100 0.00541 0.00059 155 4ZZ -0.00018 -0.00394 0.00006 -0.00339 -0.00022 156 4XY -0.00001 0.00173 -0.00056 0.00077 -0.00018 157 4XZ -0.00082 0.00099 0.00056 0.00033 -0.00058 158 4YZ -0.00032 -0.00723 0.00107 -0.00249 -0.00017 159 15 C 1S 0.00207 0.00390 -0.00786 0.01324 0.00106 160 2S -0.00443 -0.00856 0.01255 -0.02299 -0.00172 161 2PX -0.00675 0.02847 0.01136 0.02356 -0.00053 162 2PY 0.00764 -0.01156 -0.02369 0.03025 0.00185 163 2PZ -0.00880 -0.00382 0.02035 -0.00941 -0.00169 164 3S -0.01315 -0.01911 0.07869 -0.06110 -0.00822 165 3PX -0.00581 0.01993 -0.00219 0.01894 -0.00077 166 3PY 0.01728 -0.00704 -0.02452 0.02949 0.00913 167 3PZ -0.00098 0.00329 0.03395 -0.00431 0.00001 168 4XX -0.00032 -0.00082 -0.00066 -0.00151 -0.00052 169 4YY -0.00066 0.00190 0.00059 0.00205 0.00004 170 4ZZ 0.00085 -0.00047 -0.00074 0.00194 0.00043 171 4XY 0.00037 -0.00035 0.00159 0.00049 0.00020 172 4XZ -0.00006 0.00073 0.00000 0.00078 0.00014 173 4YZ 0.00122 -0.00083 -0.00020 0.00335 0.00073 174 16 H 1S 0.01139 -0.01103 -0.03376 0.04178 0.00465 175 2S 0.02685 -0.01586 -0.06651 0.05148 0.01223 176 17 H 1S -0.00671 0.03131 0.03242 -0.06426 -0.00615 177 2S -0.01513 0.05912 0.06674 -0.06878 -0.00964 178 18 H 1S -0.24407 -0.09295 0.06729 0.08094 -0.11189 179 2S -0.21325 -0.07592 0.05556 -0.00682 -0.09434 180 19 H 1S 0.02272 -0.02938 -0.00281 -0.01943 0.01472 181 2S 0.04405 -0.05180 -0.00229 -0.00384 0.02326 182 20 H 1S 0.00151 0.03618 -0.00432 0.04599 0.00397 183 2S 0.00484 0.06046 -0.01988 0.05207 0.00610 184 21 H 1S -0.00009 0.00103 -0.00298 0.00355 -0.00129 185 2S -0.00382 0.00097 0.00411 -0.00166 -0.00382 186 22 H 1S 0.18014 -0.08056 0.17923 0.09108 0.07903 187 2S 0.16485 -0.06632 0.15937 0.01903 0.07318 188 23 H 1S -0.01885 -0.02734 -0.01616 -0.03334 -0.00936 189 2S -0.03503 -0.05261 -0.02231 -0.03226 -0.01823 121 122 123 124 125 121 3PY 0.08589 122 3PZ -0.00766 0.09072 123 4XX -0.00456 0.00528 0.00114 124 4YY 0.00601 -0.00085 -0.00033 0.00121 125 4ZZ -0.00318 -0.00239 -0.00017 -0.00033 0.00105 126 4XY 0.00004 0.00023 0.00040 -0.00003 -0.00038 127 4XZ -0.00026 0.00509 -0.00023 -0.00007 0.00033 128 4YZ 0.00093 -0.00611 -0.00042 0.00025 0.00018 129 13 C 1S -0.01398 0.00320 0.00206 -0.00682 0.00208 130 2S 0.04159 -0.00959 -0.00506 0.01180 -0.00477 131 2PX -0.00010 0.00071 0.00023 0.00037 -0.00063 132 2PY -0.14640 -0.00219 0.00708 -0.00827 0.00812 133 2PZ 0.01468 -0.00676 0.00044 0.00044 0.00084 134 3S 0.03365 -0.00814 -0.00420 0.01297 -0.00657 135 3PX -0.00179 0.00274 0.00048 0.00018 -0.00074 136 3PY -0.06475 -0.00910 0.00296 -0.00462 0.00444 137 3PZ 0.00902 -0.00863 -0.00045 0.00071 0.00073 138 4XX -0.00296 -0.00045 0.00013 -0.00014 0.00028 139 4YY 0.00461 0.00073 -0.00014 -0.00006 -0.00018 140 4ZZ -0.00445 0.00071 0.00028 -0.00018 0.00010 141 4XY 0.00020 0.00024 0.00031 -0.00002 -0.00028 142 4XZ 0.00052 -0.00015 0.00004 0.00013 -0.00008 143 4YZ 0.00010 -0.00526 -0.00030 0.00010 0.00016 144 14 C 1S 0.00685 0.00017 -0.00043 -0.00057 0.00018 145 2S -0.01928 0.00714 0.00105 0.00088 -0.00092 146 2PX 0.00920 -0.01323 -0.00160 -0.00258 0.00295 147 2PY 0.05190 -0.00330 -0.00085 -0.00193 0.00151 148 2PZ -0.01856 0.01589 -0.00003 0.00054 0.00091 149 3S -0.01837 -0.00341 0.00059 0.00052 -0.00049 150 3PX 0.01155 -0.01369 -0.00185 -0.00138 0.00227 151 3PY 0.01565 0.01142 0.00079 -0.00036 -0.00067 152 3PZ -0.00895 0.01346 -0.00002 -0.00117 0.00161 153 4XX -0.00038 0.00079 0.00012 -0.00021 0.00010 154 4YY 0.00567 0.00003 -0.00023 0.00009 -0.00009 155 4ZZ -0.00314 -0.00024 0.00006 0.00022 -0.00005 156 4XY 0.00045 -0.00014 -0.00006 0.00008 -0.00001 157 4XZ 0.00110 0.00060 0.00005 -0.00008 -0.00003 158 4YZ -0.00317 0.00055 0.00021 -0.00034 0.00021 159 15 C 1S 0.00348 -0.00485 -0.00029 -0.00010 0.00024 160 2S -0.00738 0.00736 0.00034 0.00024 -0.00041 161 2PX 0.02759 0.00621 0.00036 -0.00060 -0.00010 162 2PY -0.00887 -0.02434 0.00022 -0.00192 0.00197 163 2PZ 0.00192 0.00455 0.00077 -0.00177 0.00059 164 3S -0.01693 0.04096 0.00343 0.00111 -0.00284 165 3PX 0.01747 -0.00206 -0.00067 -0.00062 0.00075 166 3PY -0.00052 -0.01700 -0.00109 -0.00183 0.00254 167 3PZ 0.00539 0.01557 0.00114 -0.00139 0.00033 168 4XX -0.00108 -0.00033 0.00006 0.00004 -0.00006 169 4YY 0.00223 0.00057 0.00000 -0.00008 0.00004 170 4ZZ -0.00055 -0.00069 -0.00005 0.00000 0.00005 171 4XY -0.00016 0.00145 -0.00006 -0.00012 0.00026 172 4XZ 0.00102 0.00003 -0.00003 -0.00001 0.00002 173 4YZ -0.00066 -0.00060 -0.00020 0.00000 0.00013 174 16 H 1S -0.01301 -0.02992 -0.00119 0.00007 -0.00017 175 2S -0.01565 -0.04623 -0.00276 -0.00017 0.00100 176 17 H 1S 0.00752 0.02545 -0.00156 0.00649 -0.00182 177 2S 0.01767 0.03804 -0.00043 0.00718 -0.00456 178 18 H 1S -0.04146 0.03904 0.01149 -0.00485 -0.00664 179 2S -0.03003 0.02557 0.01044 -0.00281 -0.00649 180 19 H 1S -0.01810 -0.00846 -0.00095 0.00174 0.00162 181 2S -0.02463 -0.00583 -0.00070 -0.00150 0.00326 182 20 H 1S 0.03698 -0.00016 -0.00081 -0.00011 -0.00001 183 2S 0.04915 -0.00653 -0.00228 0.00022 0.00045 184 21 H 1S -0.00023 -0.00071 0.00044 -0.00008 0.00018 185 2S -0.00068 0.00420 0.00114 -0.00032 -0.00008 186 22 H 1S -0.04184 0.08297 0.00242 -0.00575 0.00364 187 2S -0.03404 0.07123 0.00130 -0.00434 0.00446 188 23 H 1S -0.01271 -0.01227 0.00039 0.00275 -0.00025 189 2S -0.02121 -0.01143 0.00189 -0.00032 0.00040 126 127 128 129 130 126 4XY 0.00096 127 4XZ -0.00054 0.00130 128 4YZ -0.00004 -0.00042 0.00091 129 13 C 1S -0.00001 0.00011 -0.00033 2.05092 130 2S 0.00001 -0.00018 0.00032 -0.05342 0.30682 131 2PX 0.01155 -0.00062 0.00043 0.00089 -0.00094 132 2PY -0.00033 -0.00060 0.00005 -0.00199 0.00121 133 2PZ 0.00029 -0.00060 0.01048 -0.00339 0.00249 134 3S -0.00016 -0.00163 0.00040 -0.18586 0.27977 135 3PX 0.00535 -0.00063 0.00012 0.00226 -0.00384 136 3PY 0.00021 -0.00052 0.00008 0.00044 0.00252 137 3PZ -0.00025 -0.00016 0.00526 -0.00163 0.00937 138 4XX -0.00031 0.00004 0.00030 -0.01787 0.00020 139 4YY 0.00002 0.00013 -0.00010 -0.01551 -0.00514 140 4ZZ 0.00028 -0.00008 -0.00016 -0.01630 -0.00351 141 4XY 0.00089 -0.00042 0.00003 0.00055 -0.00106 142 4XZ 0.00042 -0.00011 0.00036 -0.00049 0.00110 143 4YZ 0.00003 -0.00036 0.00065 -0.00140 0.00268 144 14 C 1S -0.00034 0.00007 0.00151 0.01252 -0.02336 145 2S 0.00059 -0.00012 -0.00341 -0.02296 0.03913 146 2PX 0.00054 0.00227 0.00256 0.02140 -0.04293 147 2PY -0.00070 0.00068 0.00454 0.02960 -0.05557 148 2PZ 0.00294 0.00233 -0.00723 -0.05183 0.10793 149 3S 0.00113 0.00028 -0.00211 -0.00159 0.01521 150 3PX 0.00075 0.00192 0.00124 0.00447 -0.01063 151 3PY -0.00018 0.00020 0.00039 0.00709 -0.01666 152 3PZ 0.00084 0.00237 -0.00342 -0.00575 0.02430 153 4XX -0.00020 0.00014 0.00004 0.00166 -0.00384 154 4YY -0.00003 0.00003 0.00020 0.00168 -0.00345 155 4ZZ 0.00016 -0.00008 -0.00002 -0.00511 0.00884 156 4XY -0.00002 0.00002 -0.00012 -0.00133 0.00249 157 4XZ 0.00028 0.00001 0.00009 0.00199 -0.00367 158 4YZ -0.00007 0.00004 0.00018 0.00341 -0.00665 159 15 C 1S 0.00007 -0.00019 -0.00020 -0.00300 0.00649 160 2S -0.00036 0.00044 0.00082 0.00562 -0.01506 161 2PX 0.00023 0.00102 -0.00129 -0.00513 0.01443 162 2PY -0.00099 -0.00088 0.00014 0.00154 -0.00588 163 2PZ -0.00059 0.00064 0.00008 0.01145 -0.02806 164 3S -0.00078 0.00001 -0.00127 0.00523 -0.00898 165 3PX 0.00013 0.00164 0.00001 -0.00086 -0.00034 166 3PY -0.00123 0.00060 0.00085 0.00402 -0.00848 167 3PZ -0.00081 0.00083 -0.00131 0.00806 -0.01523 168 4XX -0.00002 -0.00009 -0.00003 -0.00046 0.00036 169 4YY 0.00002 -0.00005 0.00008 0.00081 -0.00158 170 4ZZ 0.00008 0.00005 -0.00019 -0.00156 0.00302 171 4XY 0.00008 0.00014 -0.00027 -0.00080 0.00173 172 4XZ -0.00002 0.00004 0.00018 0.00073 -0.00157 173 4YZ 0.00000 0.00038 0.00006 0.00027 -0.00070 174 16 H 1S -0.00039 0.00149 0.00084 -0.00090 0.00147 175 2S -0.00092 0.00196 0.00199 -0.00047 -0.00004 176 17 H 1S -0.00122 0.00093 0.00479 -0.00717 0.01458 177 2S -0.00059 0.00158 0.00207 -0.00907 0.01876 178 18 H 1S 0.01024 -0.00740 -0.00360 0.00761 -0.01999 179 2S 0.00918 -0.00854 -0.00243 0.00792 -0.01755 180 19 H 1S -0.00762 0.00091 0.00178 -0.05307 0.10305 181 2S -0.00741 0.00197 0.00143 -0.00471 0.02008 182 20 H 1S -0.00029 0.00020 0.00198 0.01166 -0.02373 183 2S -0.00036 0.00043 0.00306 0.01408 -0.02635 184 21 H 1S 0.00020 -0.00062 -0.00110 -0.00710 0.01561 185 2S 0.00069 -0.00148 -0.00254 -0.00908 0.02150 186 22 H 1S -0.00696 0.01312 -0.00751 0.00840 -0.02008 187 2S -0.00699 0.01252 -0.00651 0.01010 -0.02085 188 23 H 1S 0.00568 -0.00207 0.00549 -0.05287 0.10196 189 2S 0.00581 -0.00284 0.00499 -0.00700 0.02105 131 132 133 134 135 131 2PX 0.41189 132 2PY -0.00498 0.38123 133 2PZ 0.00312 0.00574 0.38896 134 3S 0.00646 -0.00791 -0.02479 0.30211 135 3PX 0.18594 -0.00354 -0.00071 0.00138 0.08584 136 3PY 0.00077 0.17352 0.00965 -0.00728 -0.00185 137 3PZ -0.00744 0.00608 0.17988 -0.00701 -0.00654 138 4XX -0.01071 0.01028 0.01118 -0.00035 -0.00491 139 4YY -0.00055 -0.01508 -0.00106 -0.00514 -0.00019 140 4ZZ 0.01050 0.00820 -0.00579 -0.00016 0.00476 141 4XY 0.01580 -0.00028 0.00038 -0.00117 0.00723 142 4XZ 0.01498 -0.00054 0.01184 0.00235 0.00666 143 4YZ -0.00004 0.00065 0.01285 0.00250 -0.00017 144 14 C 1S -0.01703 -0.02354 0.06430 0.00259 -0.00270 145 2S 0.03363 0.04877 -0.13738 0.02396 0.01326 146 2PX 0.00058 -0.02060 0.10092 -0.09349 0.00002 147 2PY -0.02747 -0.03175 0.12228 -0.11191 -0.01603 148 2PZ 0.08280 0.11059 -0.23444 0.08679 0.03725 149 3S 0.03848 0.03628 -0.11066 0.00025 0.01150 150 3PX 0.00014 -0.00744 0.03881 -0.04849 -0.00163 151 3PY -0.00297 -0.01304 0.01893 -0.02852 0.00036 152 3PZ 0.01544 0.05091 -0.09077 -0.00062 0.00752 153 4XX -0.00729 -0.00066 0.00546 -0.00366 -0.00316 154 4YY -0.00095 -0.00951 0.00362 -0.00683 -0.00063 155 4ZZ 0.00569 0.00774 0.00069 0.01172 0.00265 156 4XY -0.00083 -0.00064 -0.00405 0.00382 -0.00044 157 4XZ 0.00912 -0.00272 0.00357 -0.00371 0.00422 158 4YZ -0.00319 0.00436 0.00855 -0.00657 -0.00139 159 15 C 1S 0.00839 0.00132 -0.01207 0.00759 0.00454 160 2S -0.02186 -0.00322 0.03131 -0.01647 -0.00902 161 2PX -0.00069 0.00232 -0.04903 -0.00177 -0.00130 162 2PY -0.01085 0.00421 0.00698 0.01091 -0.00744 163 2PZ -0.03289 -0.00692 0.02306 -0.07812 -0.01494 164 3S -0.02773 0.00914 0.00222 0.01676 -0.00631 165 3PX -0.00832 -0.00778 -0.01028 -0.02535 -0.00639 166 3PY -0.02932 0.00643 0.03196 -0.02145 -0.01539 167 3PZ -0.02852 -0.00237 -0.00726 -0.03854 -0.01190 168 4XX 0.00027 0.00009 -0.00132 0.00276 0.00006 169 4YY -0.00138 -0.00124 0.00396 -0.00434 -0.00070 170 4ZZ 0.00377 0.00210 -0.00733 0.00349 0.00170 171 4XY 0.00102 0.00250 -0.00402 0.00173 0.00039 172 4XZ -0.00129 -0.00116 0.00607 -0.00278 -0.00059 173 4YZ -0.00015 0.00023 0.00076 -0.00357 -0.00017 174 16 H 1S -0.00009 -0.00103 -0.00298 0.00353 -0.00131 175 2S -0.00382 -0.00098 0.00410 -0.00170 -0.00384 176 17 H 1S 0.00152 -0.03618 -0.00437 0.04598 0.00396 177 2S 0.00485 -0.06044 -0.02000 0.05205 0.00611 178 18 H 1S 0.02272 0.02939 -0.00275 -0.01939 0.01474 179 2S 0.04408 0.05181 -0.00216 -0.00376 0.02329 180 19 H 1S -0.24405 0.09273 0.06770 0.08095 -0.11185 181 2S -0.21324 0.07574 0.05593 -0.00678 -0.09431 182 20 H 1S -0.00666 -0.03135 0.03237 -0.06426 -0.00612 183 2S -0.01502 -0.05920 0.06663 -0.06879 -0.00959 184 21 H 1S 0.01135 0.01109 -0.03375 0.04175 0.00460 185 2S 0.02678 0.01599 -0.06648 0.05146 0.01217 186 22 H 1S -0.01885 0.02735 -0.01612 -0.03337 -0.00938 187 2S -0.03500 0.05264 -0.02226 -0.03232 -0.01824 188 23 H 1S 0.18032 0.08036 0.17915 0.09108 0.07910 189 2S 0.16499 0.06613 0.15931 0.01900 0.07323 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00766 0.09075 138 4XX 0.00455 0.00530 0.00113 139 4YY -0.00601 -0.00087 -0.00033 0.00121 140 4ZZ 0.00319 -0.00238 -0.00017 -0.00033 0.00105 141 4XY 0.00005 -0.00023 -0.00040 0.00003 0.00038 142 4XZ 0.00025 0.00507 -0.00023 -0.00007 0.00033 143 4YZ 0.00090 0.00612 0.00042 -0.00025 -0.00018 144 14 C 1S -0.00572 0.01308 0.00197 0.00080 -0.00456 145 2S 0.01151 -0.04401 -0.00451 -0.00221 0.00847 146 2PX -0.01361 0.04342 0.00735 0.00071 -0.00572 147 2PY 0.00252 0.05786 0.00167 0.00983 -0.00739 148 2PZ 0.05349 -0.11711 -0.00376 -0.00222 0.00103 149 3S 0.00991 -0.02317 -0.00465 -0.00176 0.00860 150 3PX -0.00133 0.01621 0.00410 0.00124 -0.00454 151 3PY -0.00478 0.00279 -0.00008 0.00343 -0.00230 152 3PZ 0.02380 -0.04787 0.00009 -0.00013 -0.00148 153 4XX -0.00082 0.00129 0.00055 -0.00011 -0.00043 154 4YY -0.00362 0.00255 -0.00029 0.00085 -0.00040 155 4ZZ 0.00392 -0.00032 0.00004 -0.00055 0.00029 156 4XY 0.00013 -0.00239 -0.00017 0.00004 -0.00001 157 4XZ -0.00107 0.00116 -0.00026 0.00019 0.00010 158 4YZ 0.00181 0.00427 0.00039 -0.00020 0.00009 159 15 C 1S 0.00412 -0.00802 -0.00114 0.00068 -0.00030 160 2S -0.00875 0.01862 0.00235 -0.00152 0.00017 161 2PX 0.00737 -0.04077 0.00085 0.00310 -0.00630 162 2PY 0.00453 -0.00840 0.00218 -0.00171 0.00096 163 2PZ -0.02099 0.02255 0.00525 -0.00200 -0.00132 164 3S -0.01093 -0.00613 0.00156 -0.00276 0.00089 165 3PX -0.00283 -0.00785 0.00185 0.00146 -0.00367 166 3PY 0.00707 0.01124 0.00296 0.00003 -0.00188 167 3PZ -0.00932 -0.00485 0.00260 -0.00033 -0.00192 168 4XX -0.00008 -0.00041 -0.00019 -0.00015 0.00036 169 4YY 0.00008 0.00203 0.00007 0.00035 -0.00033 170 4ZZ 0.00119 -0.00434 -0.00013 -0.00004 0.00002 171 4XY 0.00210 -0.00271 -0.00006 0.00000 -0.00010 172 4XZ -0.00026 0.00304 0.00013 0.00017 -0.00024 173 4YZ -0.00024 0.00128 0.00012 0.00008 -0.00004 174 16 H 1S 0.00022 -0.00069 0.00044 -0.00008 0.00018 175 2S 0.00066 0.00422 0.00114 -0.00033 -0.00007 176 17 H 1S -0.03698 -0.00022 -0.00081 -0.00011 -0.00002 177 2S -0.04914 -0.00663 -0.00228 0.00023 0.00043 178 18 H 1S 0.01813 -0.00845 -0.00095 0.00175 0.00161 179 2S 0.02465 -0.00580 -0.00070 -0.00149 0.00325 180 19 H 1S 0.04135 0.03922 0.01149 -0.00487 -0.00662 181 2S 0.02995 0.02572 0.01043 -0.00283 -0.00646 182 20 H 1S -0.00755 0.02544 -0.00156 0.00650 -0.00183 183 2S -0.01771 0.03800 -0.00043 0.00719 -0.00457 184 21 H 1S 0.01307 -0.02989 -0.00119 0.00008 -0.00017 185 2S 0.01574 -0.04620 -0.00276 -0.00016 0.00099 186 22 H 1S 0.01273 -0.01222 0.00038 0.00276 -0.00026 187 2S 0.02123 -0.01139 0.00188 -0.00031 0.00040 188 23 H 1S 0.04175 0.08294 0.00244 -0.00577 0.00363 189 2S 0.03396 0.07121 0.00132 -0.00435 0.00445 141 142 143 144 145 141 4XY 0.00095 142 4XZ 0.00054 0.00130 143 4YZ -0.00004 0.00042 0.00091 144 14 C 1S -0.00115 0.00264 0.00411 2.05499 145 2S 0.00204 -0.00523 -0.00768 -0.06133 0.32633 146 2PX 0.00144 -0.00786 0.00393 -0.00315 0.00484 147 2PY 0.00102 0.00344 -0.00339 -0.00192 -0.00375 148 2PZ 0.00361 -0.00569 -0.00870 0.00214 0.00093 149 3S 0.00248 -0.00329 -0.00614 -0.19786 0.29076 150 3PX 0.00119 -0.00506 0.00155 0.00758 -0.01606 151 3PY 0.00060 0.00035 -0.00275 0.00759 0.00818 152 3PZ 0.00105 -0.00512 -0.00416 0.00299 -0.00463 153 4XX -0.00026 -0.00024 0.00030 -0.01132 -0.01296 154 4YY 0.00004 0.00016 -0.00031 -0.01838 0.00158 155 4ZZ 0.00009 0.00052 0.00033 -0.01398 -0.00730 156 4XY -0.00006 0.00012 -0.00008 0.00162 -0.00345 157 4XZ 0.00038 0.00062 0.00002 0.00249 -0.00560 158 4YZ -0.00013 0.00011 0.00031 0.00080 -0.00152 159 15 C 1S 0.00024 0.00130 -0.00054 0.01788 -0.03383 160 2S -0.00072 -0.00293 0.00140 -0.03602 0.06174 161 2PX 0.00134 -0.00156 -0.00383 0.05995 -0.12174 162 2PY 0.00013 -0.00303 0.00172 -0.03613 0.07520 163 2PZ 0.00013 -0.00929 0.00056 -0.04300 0.08348 164 3S -0.00124 -0.00204 -0.00074 0.01168 0.01679 165 3PX 0.00086 -0.00284 -0.00128 0.00740 -0.03366 166 3PY -0.00104 -0.00236 0.00183 -0.00604 0.00946 167 3PZ -0.00037 -0.00494 -0.00127 0.00477 0.00609 168 4XX -0.00004 0.00027 0.00005 -0.00161 0.00279 169 4YY 0.00002 0.00010 -0.00011 0.00119 -0.00345 170 4ZZ 0.00015 -0.00019 -0.00019 -0.00025 0.00008 171 4XY 0.00001 -0.00001 -0.00008 0.00373 -0.00670 172 4XZ -0.00004 0.00024 0.00013 0.00330 -0.00638 173 4YZ 0.00002 -0.00032 -0.00005 -0.00331 0.00625 174 16 H 1S -0.00020 -0.00062 0.00110 -0.00753 0.01707 175 2S -0.00068 -0.00148 0.00253 -0.01234 0.02409 176 17 H 1S 0.00030 0.00020 -0.00198 -0.00252 0.00795 177 2S 0.00036 0.00044 -0.00306 -0.00361 0.01394 178 18 H 1S 0.00761 0.00093 -0.00178 -0.00421 0.01108 179 2S 0.00741 0.00200 -0.00143 -0.00628 0.01442 180 19 H 1S -0.01022 -0.00744 0.00361 0.00809 -0.01963 181 2S -0.00915 -0.00857 0.00245 0.01421 -0.02689 182 20 H 1S 0.00120 0.00093 -0.00478 -0.05968 0.11295 183 2S 0.00058 0.00157 -0.00205 -0.01310 0.02596 184 21 H 1S 0.00038 0.00149 -0.00084 0.01338 -0.02790 185 2S 0.00092 0.00197 -0.00199 0.01887 -0.03228 186 22 H 1S -0.00567 -0.00208 -0.00549 -0.00194 0.00810 187 2S -0.00579 -0.00285 -0.00500 -0.00257 0.00829 188 23 H 1S 0.00695 0.01313 0.00749 0.00810 -0.02346 189 2S 0.00698 0.01253 0.00650 0.01255 -0.02989 146 147 148 149 150 146 2PX 0.35438 147 2PY -0.02302 0.41150 148 2PZ -0.04004 -0.00391 0.38398 149 3S -0.01232 0.00350 -0.02810 0.30081 150 3PX 0.19633 0.01982 0.03213 -0.02134 0.12483 151 3PY -0.00468 0.13001 0.01754 -0.00568 0.00622 152 3PZ 0.04846 0.01426 0.17020 -0.02586 0.05265 153 4XX 0.00889 -0.00494 -0.00139 -0.01129 0.00519 154 4YY -0.00431 0.02196 -0.00249 0.00386 -0.00114 155 4ZZ -0.00780 -0.01080 0.00468 -0.00678 -0.00449 156 4XY -0.00761 -0.00006 0.00415 -0.00321 -0.00319 157 4XZ -0.00455 0.00527 0.00117 -0.00351 -0.00170 158 4YZ 0.00335 -0.00224 -0.01082 -0.00059 0.00006 159 15 C 1S -0.05518 0.03898 0.04366 -0.00917 -0.01232 160 2S 0.11755 -0.07530 -0.08984 0.03345 0.03511 161 2PX 0.00683 0.13770 0.21186 -0.13120 0.04966 162 2PY 0.13511 -0.05046 -0.08001 0.04985 0.06227 163 2PZ 0.24272 -0.06390 -0.01523 0.09075 0.12918 164 3S 0.04595 -0.10473 -0.05023 -0.02640 -0.00780 165 3PX 0.07513 0.06141 0.09003 -0.02879 0.06570 166 3PY 0.09231 0.00978 -0.03203 0.00106 0.05176 167 3PZ 0.09996 -0.00559 0.03874 0.00191 0.06100 168 4XX -0.00835 -0.00424 -0.00522 0.00398 -0.00568 169 4YY -0.00222 0.01330 0.00248 -0.00289 0.00024 170 4ZZ 0.00220 -0.00190 0.01017 -0.00161 0.00269 171 4XY -0.00236 -0.00166 0.00837 -0.00853 0.00000 172 4XZ -0.00298 0.00724 -0.00073 -0.00403 -0.00055 173 4YZ 0.00856 0.00164 -0.00097 0.00761 0.00548 174 16 H 1S 0.03033 -0.01508 -0.01498 0.04152 0.02564 175 2S 0.06566 -0.03038 -0.02986 0.04888 0.04374 176 17 H 1S -0.01086 -0.00924 -0.00290 0.00544 -0.01173 177 2S -0.03426 -0.02540 -0.00575 0.01444 -0.02811 178 18 H 1S -0.01222 -0.01110 0.01088 0.01099 -0.00908 179 2S -0.02775 -0.02015 0.01327 0.01058 -0.02206 180 19 H 1S 0.02500 0.00186 -0.02346 -0.03206 0.01667 181 2S 0.08196 0.01222 -0.02902 -0.04478 0.04616 182 20 H 1S -0.02950 0.26417 -0.02239 0.11236 -0.00500 183 2S -0.00935 0.24496 -0.02174 0.03318 0.01109 184 21 H 1S -0.03272 0.00417 0.03215 -0.05771 -0.01771 185 2S -0.07741 -0.00152 0.06794 -0.05898 -0.03770 186 22 H 1S 0.00893 -0.00402 0.02448 -0.00357 0.00076 187 2S 0.01198 -0.01251 0.03392 0.00100 0.00619 188 23 H 1S 0.00300 0.00517 -0.02612 -0.01621 -0.00407 189 2S -0.00777 0.01038 -0.05900 -0.01439 -0.01443 151 152 153 154 155 151 3PY 0.05323 152 3PZ 0.01511 0.09657 153 4XX -0.00167 0.00074 0.00150 154 4YY 0.00653 -0.00037 -0.00052 0.00186 155 4ZZ -0.00330 -0.00006 0.00006 -0.00073 0.00145 156 4XY 0.00011 0.00028 0.00000 -0.00013 0.00035 157 4XZ 0.00145 -0.00062 0.00001 0.00039 -0.00006 158 4YZ -0.00161 -0.00357 0.00014 -0.00011 -0.00004 159 15 C 1S 0.00983 0.00437 -0.00197 0.00154 0.00016 160 2S -0.02568 -0.01210 0.00318 -0.00340 -0.00117 161 2PX 0.05349 0.09572 0.01089 0.00156 -0.00181 162 2PY -0.00531 -0.03263 0.00515 -0.01233 0.00100 163 2PZ -0.02374 0.02869 0.00702 -0.00146 -0.01328 164 3S -0.01875 -0.00660 0.00432 -0.00598 0.00227 165 3PX 0.01754 0.05085 0.00752 0.00073 -0.00472 166 3PY 0.00219 0.00022 0.00330 -0.00312 -0.00133 167 3PZ 0.00261 0.03335 0.00593 -0.00082 -0.00632 168 4XX -0.00159 -0.00484 -0.00025 -0.00024 0.00024 169 4YY 0.00408 0.00199 -0.00020 0.00096 -0.00037 170 4ZZ 0.00056 0.00448 0.00012 -0.00047 0.00030 171 4XY -0.00028 0.00454 0.00005 -0.00024 0.00056 172 4XZ 0.00162 -0.00042 -0.00004 0.00056 -0.00018 173 4YZ 0.00013 0.00162 -0.00034 0.00029 -0.00043 174 16 H 1S -0.00657 -0.01357 0.00034 -0.00257 0.00002 175 2S -0.01570 -0.01524 0.00110 -0.00387 -0.00050 176 17 H 1S 0.00990 -0.00324 -0.00021 0.00086 -0.00008 177 2S 0.00402 -0.00900 -0.00090 0.00150 -0.00030 178 18 H 1S 0.00456 0.00276 -0.00024 -0.00155 0.00123 179 2S 0.00344 -0.00202 -0.00114 -0.00210 0.00239 180 19 H 1S -0.00582 0.00217 0.00457 -0.00287 0.00117 181 2S 0.00375 0.01688 0.00609 -0.00200 -0.00219 182 20 H 1S 0.08411 -0.00398 -0.00852 0.01672 -0.00994 183 2S 0.07233 0.00224 -0.00501 0.01588 -0.00875 184 21 H 1S 0.01039 0.00732 0.00307 -0.00534 0.00631 185 2S 0.01143 0.01286 0.00157 -0.00514 0.00695 186 22 H 1S 0.00939 0.02501 0.00137 -0.00101 -0.00013 187 2S 0.00172 0.02871 0.00250 -0.00204 -0.00037 188 23 H 1S -0.00728 -0.02954 -0.00244 -0.00242 0.00811 189 2S -0.00673 -0.04305 -0.00102 -0.00166 0.00534 156 157 158 159 160 156 4XY 0.00042 157 4XZ 0.00009 0.00069 158 4YZ -0.00027 -0.00008 0.00065 159 15 C 1S 0.00333 0.00415 -0.00298 2.05271 160 2S -0.00664 -0.00767 0.00598 -0.06212 0.32494 161 2PX 0.00346 0.00322 -0.00805 -0.00133 -0.00225 162 2PY 0.00262 -0.00661 -0.00169 -0.00054 -0.00162 163 2PZ -0.00805 -0.00047 0.00180 -0.00083 0.00778 164 3S -0.00401 -0.00599 0.00435 -0.16068 0.24767 165 3PX -0.00041 0.00116 -0.00322 -0.00664 0.02275 166 3PY -0.00005 -0.00283 0.00033 -0.00379 0.01624 167 3PZ -0.00232 0.00064 -0.00095 0.00493 -0.01455 168 4XX 0.00028 0.00010 -0.00001 -0.01431 -0.00947 169 4YY -0.00009 0.00031 -0.00002 -0.01700 -0.00307 170 4ZZ 0.00028 -0.00010 -0.00044 -0.01611 -0.00535 171 4XY 0.00027 -0.00010 -0.00010 -0.00088 0.00123 172 4XZ 0.00003 0.00045 0.00005 0.00454 -0.00944 173 4YZ -0.00026 -0.00003 0.00013 0.00203 -0.00343 174 16 H 1S 0.00086 -0.00030 -0.00058 0.01228 -0.02562 175 2S 0.00038 -0.00117 -0.00018 0.01464 -0.02568 176 17 H 1S -0.00059 0.00022 -0.00041 -0.00849 0.01865 177 2S -0.00079 0.00062 -0.00057 -0.01195 0.02528 178 18 H 1S -0.00018 0.00082 0.00098 -0.00059 0.00017 179 2S -0.00041 0.00093 0.00075 -0.00092 -0.00025 180 19 H 1S -0.00001 -0.00707 0.00219 -0.00760 0.01927 181 2S -0.00146 -0.00575 0.00327 -0.01117 0.02905 182 20 H 1S -0.00155 0.00194 -0.00166 0.01210 -0.02453 183 2S -0.00136 0.00308 -0.00101 0.01361 -0.02471 184 21 H 1S 0.00350 -0.00386 -0.00212 -0.06016 0.11225 185 2S 0.00520 -0.00175 -0.00394 -0.01304 0.02497 186 22 H 1S -0.00010 -0.00069 0.00104 -0.00137 0.00184 187 2S 0.00006 -0.00099 0.00117 -0.00228 0.00336 188 23 H 1S -0.00106 0.00402 0.00143 0.00158 -0.00349 189 2S -0.00102 0.00504 0.00279 0.00142 -0.00406 161 162 163 164 165 161 2PX 0.36898 162 2PY 0.00012 0.41333 163 2PZ -0.03329 0.00267 0.39025 164 3S 0.01951 -0.01119 -0.02948 0.25018 165 3PX 0.18143 0.01271 0.07530 0.00526 0.12006 166 3PY 0.01319 0.13843 0.02582 -0.00771 0.02130 167 3PZ 0.05971 0.00575 0.16798 -0.01272 0.06582 168 4XX -0.00802 0.00593 -0.00342 -0.00562 -0.00525 169 4YY 0.00430 -0.01307 -0.00043 -0.00310 0.00157 170 4ZZ 0.00687 0.01026 -0.00255 -0.00247 0.00263 171 4XY 0.00497 -0.00022 -0.01075 0.00262 -0.00017 172 4XZ -0.00067 -0.00920 0.00216 -0.00814 -0.00040 173 4YZ -0.00949 -0.00200 0.01031 -0.00707 -0.00159 174 16 H 1S -0.01877 0.04292 0.01323 -0.06038 0.00248 175 2S -0.03390 0.08630 0.03946 -0.06760 0.00573 176 17 H 1S -0.00142 -0.03521 0.00129 0.05608 -0.00085 177 2S -0.01048 -0.06880 0.00303 0.06422 -0.00660 178 18 H 1S -0.00194 -0.00229 -0.00063 0.01950 -0.00706 179 2S -0.00538 -0.00699 -0.00768 0.02805 -0.01622 180 19 H 1S -0.00238 0.01530 0.03244 0.01772 0.00664 181 2S 0.00199 0.02101 0.07099 0.02307 0.01663 182 20 H 1S 0.02457 -0.03572 -0.01202 -0.06201 0.01714 183 2S 0.04786 -0.07137 -0.01048 -0.05923 0.02899 184 21 H 1S 0.13257 0.13096 -0.18738 0.11510 0.03238 185 2S 0.12143 0.11804 -0.18079 0.05424 0.01784 186 22 H 1S 0.00286 0.00017 0.00658 0.02054 -0.00049 187 2S 0.01503 0.00379 0.01957 0.01844 0.01194 188 23 H 1S -0.02930 -0.00310 -0.02867 -0.01232 -0.01933 189 2S -0.02922 0.00012 -0.02535 -0.01124 -0.01783 166 167 168 169 170 166 3PY 0.06239 167 3PZ 0.01398 0.09333 168 4XX -0.00006 -0.00247 0.00092 169 4YY -0.00297 0.00079 -0.00023 0.00114 170 4ZZ 0.00301 0.00047 0.00022 -0.00019 0.00089 171 4XY 0.00038 -0.00331 -0.00019 0.00000 0.00032 172 4XZ -0.00261 0.00110 0.00007 0.00048 -0.00026 173 4YZ 0.00071 0.00212 -0.00003 0.00014 -0.00011 174 16 H 1S 0.01991 -0.00276 0.00082 0.00184 0.00080 175 2S 0.03826 0.00232 0.00161 -0.00153 0.00193 176 17 H 1S -0.03258 -0.00071 -0.00029 -0.00127 -0.00082 177 2S -0.04800 -0.00212 -0.00007 -0.00118 -0.00192 178 18 H 1S -0.01410 0.00036 0.00055 0.00013 -0.00009 179 2S -0.02158 -0.00403 0.00080 0.00006 -0.00013 180 19 H 1S 0.02871 0.01869 -0.00089 0.00033 -0.00156 181 2S 0.03778 0.03883 -0.00252 0.00077 -0.00124 182 20 H 1S -0.00228 -0.00668 -0.00145 0.00805 -0.00272 183 2S -0.00590 -0.00120 -0.00308 0.00888 -0.00329 184 21 H 1S 0.03918 -0.05969 -0.00193 -0.00405 0.00549 185 2S 0.02563 -0.05144 0.00068 -0.00360 0.00646 186 22 H 1S 0.00487 0.01533 -0.00054 -0.00031 0.00070 187 2S 0.00768 0.02316 -0.00055 -0.00064 0.00071 188 23 H 1S -0.00435 -0.03019 0.00081 -0.00014 -0.00072 189 2S -0.00455 -0.02563 0.00164 -0.00012 -0.00169 171 172 173 174 175 171 4XY 0.00095 172 4XZ -0.00017 0.00067 173 4YZ -0.00042 0.00028 0.00117 174 16 H 1S -0.00512 0.00001 0.00716 0.21693 175 2S -0.00529 -0.00049 0.00782 0.17899 0.17165 176 17 H 1S -0.00167 0.00027 0.00090 -0.02290 -0.02724 177 2S -0.00248 0.00048 0.00055 -0.02758 -0.03410 178 18 H 1S 0.00000 -0.00035 -0.00131 -0.00882 -0.02288 179 2S -0.00028 -0.00060 -0.00304 -0.02135 -0.03822 180 19 H 1S -0.00016 0.00073 0.00083 0.00342 0.01033 181 2S -0.00046 0.00081 0.00265 0.00712 0.01815 182 20 H 1S -0.00412 0.00312 0.00350 -0.00941 -0.01833 183 2S -0.00216 0.00474 0.00264 -0.02008 -0.02681 184 21 H 1S 0.00786 -0.00826 -0.01088 -0.02222 -0.02568 185 2S 0.00774 -0.00606 -0.01063 -0.02568 -0.03291 186 22 H 1S 0.00159 -0.00023 0.00150 -0.00035 -0.00361 187 2S 0.00181 -0.00036 0.00143 -0.00122 -0.00329 188 23 H 1S -0.00062 0.00133 -0.00076 -0.00063 -0.00023 189 2S -0.00141 0.00151 -0.00146 -0.00022 -0.00045 176 177 178 179 180 176 17 H 1S 0.21713 177 2S 0.17587 0.16496 178 18 H 1S -0.01340 -0.00727 0.21593 179 2S -0.01058 -0.00004 0.16994 0.16630 180 19 H 1S -0.00724 -0.01830 -0.02780 -0.03452 0.21593 181 2S -0.01155 -0.02513 -0.03451 -0.04556 0.16993 182 20 H 1S 0.00159 -0.00152 -0.00723 -0.01152 -0.01340 183 2S -0.00152 -0.00431 -0.01829 -0.02512 -0.00728 184 21 H 1S -0.00941 -0.02008 0.00341 0.00712 -0.00882 185 2S -0.01833 -0.02683 0.01032 0.01814 -0.02287 186 22 H 1S -0.00897 -0.00496 -0.02500 -0.05357 0.01698 187 2S -0.00566 -0.00227 -0.05206 -0.06144 0.03044 188 23 H 1S -0.00529 -0.01307 0.01704 0.03249 -0.02500 189 2S -0.01223 -0.01808 0.03052 0.04135 -0.05204 181 182 183 184 185 181 2S 0.16626 182 20 H 1S -0.01059 0.21714 183 2S -0.00005 0.17586 0.16496 184 21 H 1S -0.02136 -0.02289 -0.02757 0.21693 185 2S -0.03821 -0.02724 -0.03410 0.17898 0.17163 186 22 H 1S 0.03240 -0.00530 -0.01305 -0.00062 -0.00021 187 2S 0.04125 -0.01225 -0.01807 -0.00020 -0.00043 188 23 H 1S -0.05356 -0.00897 -0.00497 -0.00034 -0.00359 189 2S -0.06139 -0.00567 -0.00227 -0.00119 -0.00327 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.17309 0.15894 188 23 H 1S -0.03157 -0.03522 0.21529 189 2S -0.03521 -0.03752 0.17307 0.15892 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.01388 0.33286 3 2PX 0.00000 0.00000 0.34619 4 2PY 0.00000 0.00000 0.00000 0.43072 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37876 6 3S -0.03171 0.22138 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.09509 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07005 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09294 10 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 11 4YY -0.00136 -0.00071 0.00000 0.00000 0.00000 12 4ZZ -0.00124 -0.00292 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 -0.00065 0.00000 -0.00287 0.00000 17 2S -0.00065 0.01384 0.00000 0.04299 -0.00001 18 2PX 0.00000 0.00000 0.01640 0.00000 0.00000 19 2PY -0.00286 0.04296 0.00000 0.10300 0.00002 20 2PZ 0.00000 0.00001 0.00000 -0.00002 0.01211 21 3S 0.00011 0.00956 0.00000 0.03206 -0.00002 22 3PX 0.00000 0.00000 0.02166 0.00000 0.00000 23 3PY -0.00013 0.01034 0.00000 0.01885 0.00001 24 3PZ 0.00000 0.00001 0.00000 -0.00002 0.01874 25 4XX 0.00000 -0.00061 0.00000 -0.00167 0.00000 26 4YY -0.00027 0.00367 0.00000 0.00314 0.00000 27 4ZZ 0.00000 -0.00064 0.00000 -0.00128 0.00000 28 4XY 0.00000 0.00000 0.00205 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 0.00234 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00015 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 36 3S 0.00009 -0.00098 -0.00291 -0.00150 -0.00044 37 3PX 0.00018 -0.00203 -0.00095 -0.00094 -0.00124 38 3PY 0.00001 -0.00026 -0.00174 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00360 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 47 2S -0.00002 0.00104 0.00849 0.00170 0.00516 48 2PX -0.00024 0.01219 0.01592 0.00658 0.01964 49 2PY -0.00005 0.00217 0.00600 -0.00067 0.00300 50 2PZ -0.00011 0.00478 0.01887 0.00317 0.00254 51 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 52 3PX -0.00226 0.02341 0.01031 0.00753 0.02078 53 3PY -0.00071 0.00623 0.00939 -0.00374 0.00480 54 3PZ -0.00096 0.00743 0.01890 0.00398 -0.00207 55 4XX -0.00009 0.00127 -0.00098 0.00103 0.00161 56 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 57 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 58 4XY -0.00008 0.00087 0.00084 0.00020 0.00115 59 4XZ -0.00015 0.00131 0.00071 0.00034 -0.00008 60 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 61 5 H 1S -0.00236 0.03822 0.00578 0.03859 0.05485 62 2S -0.00192 0.02241 0.00245 0.02225 0.03131 63 6 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 64 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00031 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 -0.00002 -0.00001 0.00051 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 69 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 70 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 71 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 72 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 73 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 74 3PY 0.00011 -0.00329 -0.00123 -0.00347 -0.00068 75 3PZ -0.00001 0.00015 -0.00130 -0.00195 -0.00025 76 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 77 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 78 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 79 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 80 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00017 0.00068 0.00002 0.00003 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00003 -0.00037 0.00001 -0.00002 90 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 91 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 92 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 105 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 106 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 107 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 120 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 121 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 122 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 131 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 134 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 135 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 136 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 137 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00038 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00008 0.00003 -0.00002 0.00008 146 2PX 0.00000 0.00013 0.00205 0.00020 0.00112 147 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 148 2PZ 0.00000 0.00005 0.00072 0.00004 0.00022 149 3S 0.00004 0.00014 0.00062 0.00007 0.00129 150 3PX 0.00004 -0.00038 0.00777 0.00086 0.00550 151 3PY -0.00002 0.00039 0.00086 -0.00007 0.00059 152 3PZ -0.00005 0.00064 0.00476 0.00059 0.00007 153 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 154 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 157 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 158 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 161 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 -0.00029 0.00029 0.00000 -0.00001 165 3PX 0.00006 -0.00144 -0.00170 -0.00001 -0.00008 166 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 167 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00001 0.00001 0.00004 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 182 20 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 183 2S 0.00001 -0.00009 -0.00062 -0.00045 -0.00017 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00005 0.00000 0.00007 6 7 8 9 10 6 3S 0.30259 7 3PX 0.00000 0.10752 8 3PY 0.00000 0.00000 0.05312 9 3PZ 0.00000 0.00000 0.00000 0.09319 10 4XX -0.00700 0.00000 0.00000 0.00000 0.00284 11 4YY 0.00000 0.00000 0.00000 0.00000 -0.00027 12 4ZZ -0.00198 0.00000 0.00000 0.00000 -0.00019 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 0.00011 0.00000 -0.00013 0.00000 0.00000 17 2S 0.00956 0.00000 0.01041 -0.00001 -0.00062 18 2PX 0.00000 0.02166 0.00000 0.00000 0.00000 19 2PY 0.03200 0.00000 0.01886 0.00002 -0.00167 20 2PZ 0.00002 0.00000 -0.00001 0.01872 0.00000 21 3S -0.01174 0.00000 -0.00768 -0.00003 -0.00101 22 3PX 0.00000 0.02494 0.00000 0.00000 0.00000 23 3PY -0.00780 0.00000 0.00238 0.00002 -0.00166 24 3PZ 0.00003 0.00000 -0.00001 0.02710 0.00000 25 4XX -0.00101 0.00000 -0.00166 0.00000 0.00004 26 4YY 0.00361 0.00000 0.00143 0.00000 -0.00005 27 4ZZ -0.00207 0.00000 -0.00096 0.00000 0.00000 28 4XY 0.00000 0.00113 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 0.00113 0.00000 31 3 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00089 -0.00168 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00013 -0.00122 0.00005 34 2PY 0.00040 -0.00158 -0.00078 -0.00112 0.00000 35 2PZ -0.00187 -0.00287 -0.00017 0.00021 0.00004 36 3S 0.00150 -0.00489 -0.00287 0.00277 -0.00004 37 3PX -0.00468 -0.00074 -0.00046 -0.00116 -0.00001 38 3PY 0.00071 -0.00142 -0.00035 -0.00109 -0.00017 39 3PZ -0.00045 -0.00619 -0.00134 0.00047 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 O 1S 0.00128 0.00011 -0.00024 0.00040 -0.00006 47 2S -0.01941 -0.00292 0.00272 -0.00507 0.00138 48 2PX 0.00361 0.00059 0.00087 0.00354 -0.00096 49 2PY 0.00273 -0.00034 0.00416 0.00003 0.00096 50 2PZ 0.00548 0.00691 0.00110 -0.00136 0.00397 51 3S -0.06780 -0.00103 0.00116 -0.01269 0.00244 52 3PX 0.00144 -0.00163 0.00035 0.00189 -0.00195 53 3PY 0.00723 -0.00035 0.01064 0.00017 0.00146 54 3PZ 0.01221 0.00729 0.00218 -0.00723 0.00628 55 4XX 0.00210 -0.00128 0.00059 0.00141 -0.00007 56 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 57 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 58 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 59 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 60 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 61 5 H 1S 0.05282 0.00176 0.01255 0.02524 -0.00145 62 2S 0.03770 -0.00039 0.01033 0.02356 -0.00256 63 6 H 1S -0.00418 0.00003 -0.00396 -0.00012 0.00000 64 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 65 7 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 66 2S 0.00239 -0.00042 -0.00054 0.00258 0.00009 67 8 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 68 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 69 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 70 2PY -0.00391 0.00057 -0.00411 0.00089 0.00000 71 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 72 3S 0.01002 0.00118 0.01201 -0.00278 -0.00009 73 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 74 3PY -0.01562 0.00189 -0.00974 0.00219 -0.00010 75 3PZ 0.00201 -0.00340 -0.00486 -0.00290 0.00004 76 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 77 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 78 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 79 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 82 9 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 83 2S -0.00032 0.00313 0.00032 -0.00041 -0.00009 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 86 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 87 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 88 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 89 3S -0.00076 -0.00190 -0.00002 -0.00020 -0.00001 90 3PX -0.00414 -0.00955 0.00281 -0.00096 -0.00001 91 3PY -0.00081 -0.00164 0.00000 -0.00013 -0.00001 92 3PZ -0.00022 -0.00060 0.00017 0.00122 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 100 2S -0.00020 -0.00046 0.00003 -0.00022 0.00000 101 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 102 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 103 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 104 3S -0.00008 0.00010 -0.00080 0.00042 0.00001 105 3PX -0.00064 -0.00161 0.00021 -0.00176 -0.00002 106 3PY -0.00001 0.00158 -0.00060 0.00093 0.00002 107 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 108 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 109 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 110 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 111 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 115 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 116 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 117 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 118 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 119 3S -0.00190 -0.00154 -0.00028 -0.00262 -0.00001 120 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 121 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 122 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 123 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 124 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 129 13 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 130 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 131 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 132 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 133 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 134 3S 0.00071 -0.00065 -0.00007 0.00098 0.00004 135 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 136 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 137 3PZ 0.00096 -0.00202 -0.00009 0.00026 -0.00011 138 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 139 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 140 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 143 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 14 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 145 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 146 2PX 0.00235 0.00813 0.00105 0.00633 0.00012 147 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 148 2PZ -0.00066 0.00514 0.00060 0.00003 0.00006 149 3S 0.00127 0.00342 0.00015 0.00207 0.00056 150 3PX 0.00243 0.01259 0.00213 0.01153 0.00070 151 3PY 0.00173 0.00220 -0.00001 0.00088 0.00021 152 3PZ 0.00107 0.01183 0.00151 -0.00216 0.00049 153 4XX 0.00037 0.00047 0.00013 0.00026 -0.00001 154 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 155 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 156 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 157 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 158 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 160 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 161 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 162 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 163 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 164 3S -0.00023 0.00033 0.00000 0.00006 -0.00004 165 3PX -0.00790 -0.00260 -0.00002 -0.00045 0.00027 166 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 167 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 168 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 169 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 170 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 176 17 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 177 2S 0.00040 0.00008 0.00045 0.00007 0.00000 178 18 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 179 2S 0.00028 0.00011 0.00013 0.00001 0.00000 180 19 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 181 2S -0.00144 -0.00105 -0.00020 -0.00524 -0.00007 182 20 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 183 2S -0.00324 -0.00284 0.00072 -0.00111 -0.00002 184 21 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 185 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00012 0.00003 0.00003 0.00015 0.00000 188 23 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 189 2S 0.00004 0.00100 0.00008 0.00076 0.00000 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00008 0.00166 13 4XY 0.00000 0.00000 0.00146 14 4XZ 0.00000 0.00000 0.00000 0.00147 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 16 2 C 1S -0.00027 0.00000 0.00000 0.00000 0.00000 17 2S 0.00367 -0.00064 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00205 0.00000 0.00000 19 2PY 0.00315 -0.00128 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00234 21 3S 0.00360 -0.00207 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00113 0.00000 0.00000 23 3PY 0.00143 -0.00096 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00113 25 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00005 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00005 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 -0.00018 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00005 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 47 2S -0.00019 0.00007 0.00089 0.00157 0.00055 48 2PX -0.00048 0.00158 0.00038 0.00289 0.00116 49 2PY 0.00017 0.00023 0.00025 0.00115 0.00017 50 2PZ -0.00031 -0.00055 0.00124 0.00027 -0.00003 51 3S -0.00008 -0.00012 0.00095 0.00101 0.00085 52 3PX -0.00143 0.00391 0.00001 0.00088 0.00070 53 3PY -0.00054 0.00045 0.00071 0.00076 0.00045 54 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 55 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 56 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 57 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 58 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 59 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 60 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 61 5 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 62 2S -0.00043 0.00314 0.00010 0.00003 0.00064 63 6 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 64 2S -0.00027 0.00027 0.00001 0.00001 0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 70 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 71 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 72 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 73 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 74 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 75 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 105 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 106 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 107 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 0.00001 0.00000 0.00002 0.00000 135 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00002 0.00001 146 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 147 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 149 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 150 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 151 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 152 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 166 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 0.00011 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.01389 0.33290 18 2PX 0.00000 0.00000 0.34624 19 2PY 0.00000 0.00000 0.00000 0.43068 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37886 21 3S -0.03169 0.22127 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.09508 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07003 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09299 25 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 26 4YY -0.00136 -0.00073 0.00000 0.00000 0.00000 27 4ZZ -0.00124 -0.00291 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 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00062 -0.00016 -0.00003 36 3S 0.00009 -0.00099 -0.00291 -0.00149 -0.00045 37 3PX 0.00018 -0.00204 -0.00095 -0.00093 -0.00124 38 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00361 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 48 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00008 49 2PY 0.00000 -0.00016 -0.00010 -0.00033 -0.00004 50 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00003 51 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 52 3PX 0.00004 -0.00104 0.00070 -0.00110 -0.00130 53 3PY 0.00011 -0.00329 -0.00122 -0.00345 -0.00069 54 3PZ -0.00001 0.00014 -0.00131 -0.00197 -0.00024 55 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 56 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 57 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 58 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 60 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 61 5 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 62 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 63 6 H 1S -0.00236 0.03823 0.00584 0.03848 0.05492 64 2S -0.00192 0.02241 0.00248 0.02219 0.03134 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 67 8 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 68 2S -0.00002 0.00105 0.00849 0.00172 0.00516 69 2PX -0.00025 0.01219 0.01588 0.00664 0.01963 70 2PY -0.00005 0.00219 0.00605 -0.00067 0.00302 71 2PZ -0.00011 0.00478 0.01887 0.00319 0.00253 72 3S 0.00061 -0.00733 0.01468 -0.00372 0.00746 73 3PX -0.00226 0.02342 0.01026 0.00758 0.02074 74 3PY -0.00071 0.00628 0.00945 -0.00376 0.00483 75 3PZ -0.00096 0.00741 0.01888 0.00400 -0.00208 76 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 77 4YY -0.00001 0.00013 0.00062 0.00000 0.00029 78 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 79 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 80 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00009 81 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00017 0.00068 0.00002 0.00003 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 86 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 90 3PX 0.00006 -0.00143 -0.00168 -0.00001 -0.00008 91 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 92 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 101 2PX 0.00000 0.00013 0.00203 0.00020 0.00111 102 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 103 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 104 3S 0.00004 0.00013 0.00060 0.00007 0.00128 105 3PX 0.00004 -0.00038 0.00776 0.00087 0.00548 106 3PY -0.00002 0.00038 0.00085 -0.00007 0.00059 107 3PZ -0.00005 0.00063 0.00474 0.00059 0.00007 108 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 112 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 116 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 119 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 120 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 121 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 122 3PZ 0.00002 -0.00034 -0.00008 0.00000 -0.00037 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 135 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 136 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 137 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00030 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 147 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 150 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00034 151 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 152 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 165 3PX 0.00002 -0.00038 -0.00239 0.00020 -0.00018 166 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 167 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 176 17 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 2S 0.00001 -0.00009 -0.00061 -0.00044 -0.00017 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 179 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00001 0.00001 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 0.00005 0.00000 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 0.00000 21 22 23 24 25 21 3S 0.30219 22 3PX 0.00000 0.10753 23 3PY 0.00000 0.00000 0.05314 24 3PZ 0.00000 0.00000 0.00000 0.09331 25 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 26 4YY -0.00003 0.00000 0.00000 0.00000 -0.00027 27 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00090 -0.00168 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 34 2PY 0.00040 -0.00157 -0.00079 -0.00112 0.00000 35 2PZ -0.00187 -0.00288 -0.00016 0.00021 0.00004 36 3S 0.00149 -0.00488 -0.00286 0.00277 -0.00004 37 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 38 3PY 0.00071 -0.00140 -0.00036 -0.00109 -0.00017 39 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 47 2S 0.00175 -0.00001 0.00148 0.00019 0.00000 48 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 49 2PY -0.00391 0.00058 -0.00410 0.00089 0.00000 50 2PZ 0.00032 -0.00092 -0.00147 -0.00037 0.00000 51 3S 0.01002 0.00118 0.01200 -0.00279 -0.00009 52 3PX -0.00459 -0.00122 0.00131 -0.00173 -0.00002 53 3PY -0.01561 0.00191 -0.00969 0.00219 -0.00010 54 3PZ 0.00200 -0.00341 -0.00489 -0.00288 0.00004 55 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 56 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 57 4ZZ -0.00010 0.00004 -0.00014 -0.00003 0.00000 58 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 61 5 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 62 2S -0.01562 -0.00006 -0.00811 0.00008 0.00023 63 6 H 1S 0.05283 0.00178 0.01250 0.02525 -0.00145 64 2S 0.03772 -0.00038 0.01029 0.02356 -0.00255 65 7 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 66 2S 0.00239 -0.00041 -0.00053 0.00259 0.00009 67 8 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 68 2S -0.01942 -0.00293 0.00273 -0.00508 0.00138 69 2PX 0.00360 0.00058 0.00088 0.00353 -0.00096 70 2PY 0.00275 -0.00034 0.00415 0.00004 0.00097 71 2PZ 0.00548 0.00691 0.00111 -0.00137 0.00397 72 3S -0.06777 -0.00106 0.00117 -0.01271 0.00243 73 3PX 0.00144 -0.00163 0.00035 0.00186 -0.00195 74 3PY 0.00728 -0.00035 0.01063 0.00018 0.00147 75 3PZ 0.01220 0.00728 0.00219 -0.00726 0.00627 76 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 77 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 78 4ZZ 0.00072 0.00113 0.00015 -0.00059 -0.00001 79 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 80 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 81 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 82 9 H 1S 0.00006 0.00029 0.00000 0.00004 0.00000 83 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 84 10 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 85 2S -0.00021 -0.00065 0.00000 -0.00006 0.00000 86 2PX -0.00140 -0.00045 -0.00001 -0.00019 0.00001 87 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 88 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 89 3S -0.00021 0.00036 0.00000 0.00007 -0.00004 90 3PX -0.00783 -0.00255 -0.00002 -0.00044 0.00027 91 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 92 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 93 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 94 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 95 4ZZ 0.00000 -0.00008 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 100 2S -0.00064 -0.00040 -0.00033 0.00025 0.00003 101 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 102 2PY 0.00089 0.00149 0.00025 0.00056 0.00002 103 2PZ -0.00066 0.00511 0.00060 0.00003 0.00006 104 3S 0.00125 0.00339 0.00015 0.00206 0.00056 105 3PX 0.00245 0.01264 0.00214 0.01155 0.00070 106 3PY 0.00171 0.00220 -0.00001 0.00087 0.00021 107 3PZ 0.00106 0.01181 0.00151 -0.00216 0.00048 108 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 109 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 110 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 111 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 112 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 113 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 114 12 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 115 2S -0.00002 -0.00065 -0.00002 -0.00040 0.00000 116 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 117 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 118 2PZ 0.00044 -0.00139 -0.00005 -0.00006 0.00000 119 3S 0.00072 -0.00063 -0.00008 0.00101 0.00004 120 3PX -0.00008 -0.00045 -0.00004 -0.00008 0.00004 121 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 122 3PZ 0.00097 -0.00200 -0.00009 0.00026 -0.00011 123 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 124 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 125 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00009 0.00000 0.00014 0.00000 128 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 130 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 131 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 132 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 133 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 134 3S -0.00190 -0.00155 -0.00027 -0.00264 -0.00001 135 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 136 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 137 3PZ -0.00171 -0.00095 -0.00014 -0.00169 0.00000 138 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 139 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 145 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 146 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 147 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 148 2PZ 0.00013 -0.00026 0.00017 0.00000 0.00000 149 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 150 3PX -0.00065 -0.00162 0.00023 -0.00178 -0.00002 151 3PY -0.00001 0.00160 -0.00060 0.00094 0.00002 152 3PZ 0.00038 -0.00079 -0.00008 -0.00006 -0.00001 153 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 154 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 155 4ZZ -0.00003 -0.00004 0.00001 -0.00002 0.00000 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 161 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 162 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 163 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 164 3S -0.00077 -0.00191 -0.00001 -0.00021 -0.00001 165 3PX -0.00413 -0.00958 0.00283 -0.00097 -0.00001 166 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 167 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 175 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 176 17 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 177 2S -0.00322 -0.00284 0.00071 -0.00110 -0.00002 178 18 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 179 2S -0.00144 -0.00106 -0.00020 -0.00527 -0.00007 180 19 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 181 2S 0.00028 0.00011 0.00013 0.00001 0.00000 182 20 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 183 2S 0.00040 0.00008 0.00046 0.00008 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 187 2S 0.00003 0.00100 0.00008 0.00075 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00012 0.00003 0.00003 0.00015 0.00000 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00008 0.00166 28 4XY 0.00000 0.00000 0.00146 29 4XZ 0.00000 0.00000 0.00000 0.00146 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 O 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 0.00001 0.00000 0.00001 0.00000 0.00001 49 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 50 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 51 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 52 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 53 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 54 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 62 2S -0.00026 0.00027 0.00001 0.00001 0.00022 63 6 H 1S -0.00033 0.00234 0.00042 0.00024 0.00376 64 2S -0.00044 0.00314 0.00010 0.00003 0.00063 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 67 8 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 68 2S -0.00019 0.00007 0.00090 0.00157 0.00056 69 2PX -0.00048 0.00157 0.00038 0.00288 0.00117 70 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 71 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 72 3S -0.00007 -0.00013 0.00096 0.00100 0.00085 73 3PX -0.00142 0.00390 0.00001 0.00088 0.00071 74 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 75 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 76 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 77 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 78 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 79 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 80 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 81 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 91 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00002 0.00001 101 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 104 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 105 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 106 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 107 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00002 0.00001 0.00000 0.00002 0.00000 120 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 122 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 150 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 151 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 152 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 0.00000 0.00000 165 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 0.00011 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.01427 0.34291 33 2PX 0.00000 0.00000 0.42800 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.42492 36 3S -0.02762 0.21128 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08852 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.08274 40 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 42 4ZZ -0.00140 -0.00031 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 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 47 2S -0.00001 0.00022 0.00238 0.00833 0.00235 48 2PX -0.00005 0.00252 -0.00015 0.00935 0.00232 49 2PY -0.00022 0.01258 0.01064 0.02348 0.01131 50 2PZ -0.00005 0.00248 0.00212 0.01087 -0.00005 51 3S 0.00084 -0.01440 0.00278 0.00789 0.00306 52 3PX -0.00032 0.00325 -0.00392 0.00864 0.00159 53 3PY -0.00300 0.02935 0.01404 0.01977 0.01540 54 3PZ -0.00029 0.00285 0.00122 0.01194 -0.00395 55 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 56 4YY -0.00016 0.00280 0.00181 0.00191 0.00188 57 4ZZ 0.00000 -0.00007 0.00001 -0.00017 -0.00009 58 4XY -0.00006 0.00072 0.00006 0.00037 0.00043 59 4XZ -0.00001 0.00011 0.00003 0.00010 0.00002 60 4YZ -0.00007 0.00087 0.00054 0.00074 0.00003 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00020 0.00020 0.00017 0.00029 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00020 0.00020 0.00017 0.00029 65 7 H 1S -0.00189 0.03298 0.00486 0.00000 0.09574 66 2S -0.00105 0.01599 0.00407 0.00000 0.05687 67 8 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 68 2S -0.00001 0.00022 0.00238 0.00831 0.00237 69 2PX -0.00005 0.00252 -0.00015 0.00934 0.00234 70 2PY -0.00022 0.01255 0.01062 0.02335 0.01135 71 2PZ -0.00005 0.00250 0.00214 0.01091 -0.00003 72 3S 0.00084 -0.01440 0.00278 0.00787 0.00308 73 3PX -0.00032 0.00325 -0.00392 0.00863 0.00161 74 3PY -0.00300 0.02929 0.01403 0.01963 0.01547 75 3PZ -0.00029 0.00289 0.00124 0.01199 -0.00396 76 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 77 4YY -0.00016 0.00279 0.00180 0.00190 0.00188 78 4ZZ 0.00000 -0.00007 0.00002 -0.00017 -0.00009 79 4XY -0.00006 0.00071 0.00006 0.00036 0.00043 80 4XZ -0.00001 0.00011 0.00003 0.00010 0.00001 81 4YZ -0.00007 0.00088 0.00054 0.00075 0.00002 82 9 H 1S -0.00189 0.03334 0.09738 0.00000 0.00387 83 2S -0.00112 0.01681 0.05687 0.00000 0.00316 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00002 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 106 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 120 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 122 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 135 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 137 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00001 0.00002 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 151 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.23348 37 3PX 0.00000 0.06205 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.00000 0.00000 0.00000 0.06494 40 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 41 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 42 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 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 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 47 2S -0.01601 -0.00145 0.00067 -0.00118 -0.00028 48 2PX 0.00166 0.00018 0.00391 0.00262 0.00005 49 2PY 0.01001 0.00432 0.00086 0.00438 0.00007 50 2PZ 0.00123 0.00176 0.00527 0.00256 0.00031 51 3S -0.06227 -0.00434 -0.00313 -0.00502 -0.00147 52 3PX 0.00174 0.00062 0.00457 0.00429 -0.00113 53 3PY 0.02201 0.00669 -0.00008 0.00680 0.00042 54 3PZ -0.00042 0.00232 0.00758 0.00841 0.00137 55 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 56 4YY 0.00290 0.00088 0.00032 0.00092 -0.00001 57 4ZZ 0.00029 0.00000 0.00018 -0.00026 -0.00004 58 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 59 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 60 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 61 5 H 1S 0.00014 0.00015 0.00019 0.00008 0.00000 62 2S 0.00131 0.00123 0.00115 0.00056 0.00001 63 6 H 1S 0.00014 0.00015 0.00018 0.00008 0.00000 64 2S 0.00131 0.00123 0.00115 0.00057 0.00001 65 7 H 1S 0.04348 0.00167 0.00000 0.04187 -0.00142 66 2S 0.03017 0.00183 0.00000 0.02578 -0.00569 67 8 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 68 2S -0.01601 -0.00145 0.00067 -0.00118 -0.00028 69 2PX 0.00166 0.00017 0.00390 0.00263 0.00005 70 2PY 0.00999 0.00431 0.00084 0.00440 0.00007 71 2PZ 0.00124 0.00177 0.00528 0.00253 0.00032 72 3S -0.06226 -0.00434 -0.00311 -0.00504 -0.00146 73 3PX 0.00174 0.00061 0.00455 0.00431 -0.00114 74 3PY 0.02198 0.00668 -0.00009 0.00682 0.00041 75 3PZ -0.00041 0.00233 0.00761 0.00834 0.00138 76 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 77 4YY 0.00289 0.00087 0.00032 0.00093 -0.00001 78 4ZZ 0.00029 0.00001 0.00018 -0.00026 -0.00004 79 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 80 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 81 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 82 9 H 1S 0.03985 0.04871 0.00000 0.00027 0.00896 83 2S 0.02109 0.04009 0.00000 -0.00020 0.00902 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 105 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 106 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 107 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 116 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 117 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 118 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 119 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 120 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 121 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 122 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 131 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 132 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 135 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 136 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 137 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 150 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 151 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 152 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 178 18 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 179 2S -0.00101 0.00046 0.00062 0.00006 0.00004 180 19 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 181 2S -0.00101 0.00046 0.00062 0.00007 0.00004 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00046 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00000 0.00000 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 46 4 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 47 2S 0.00199 -0.00022 0.00093 0.00019 0.00113 48 2PX 0.00137 0.00029 -0.00007 -0.00001 0.00131 49 2PY -0.00047 0.00008 0.00225 0.00099 0.00250 50 2PZ 0.00163 0.00003 0.00135 -0.00001 -0.00012 51 3S 0.00618 -0.00165 0.00069 0.00007 0.00087 52 3PX 0.00173 0.00131 0.00056 0.00004 0.00085 53 3PY -0.00079 0.00021 0.00093 0.00063 0.00103 54 3PZ 0.00233 -0.00138 0.00087 0.00004 0.00060 55 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 56 4YY -0.00005 0.00002 0.00014 0.00015 0.00018 57 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 58 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 59 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 65 7 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 66 2S -0.00314 0.01031 0.00000 0.00010 0.00000 67 8 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 68 2S 0.00198 -0.00022 0.00093 0.00020 0.00114 69 2PX 0.00137 0.00030 -0.00007 -0.00001 0.00132 70 2PY -0.00048 0.00008 0.00224 0.00100 0.00250 71 2PZ 0.00163 0.00002 0.00136 -0.00001 -0.00012 72 3S 0.00616 -0.00165 0.00069 0.00008 0.00088 73 3PX 0.00172 0.00132 0.00056 0.00004 0.00085 74 3PY -0.00080 0.00023 0.00092 0.00064 0.00103 75 3PZ 0.00233 -0.00139 0.00088 0.00003 0.00059 76 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 77 4YY -0.00006 0.00002 0.00014 0.00015 0.00018 78 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 79 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 80 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 82 9 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 83 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 -0.00004 0.00002 0.00001 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 O 1S 2.07557 47 2S -0.04159 0.50358 48 2PX 0.00000 0.00000 0.64786 49 2PY 0.00000 0.00000 0.00000 0.66548 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.71669 51 3S -0.04102 0.45246 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.21176 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.23221 55 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 56 4YY -0.00043 -0.00456 0.00000 0.00000 0.00000 57 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00000 -0.00006 -0.00004 -0.00001 -0.00014 62 2S 0.00016 -0.00225 -0.00058 -0.00012 -0.00326 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00003 0.00010 0.00014 -0.00001 65 7 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 66 2S 0.00005 -0.00073 0.00089 -0.00091 -0.00755 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 73 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 74 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 83 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 0.00001 0.00000 106 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00002 0.00000 0.00001 120 3PX 0.00000 0.00000 -0.00001 -0.00002 0.00002 121 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00001 122 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00009 -0.00006 0.00002 -0.00006 135 3PX 0.00000 -0.00007 -0.00019 0.00004 -0.00031 136 3PY 0.00000 -0.00001 -0.00005 -0.00002 -0.00004 137 3PZ 0.00000 0.00001 0.00028 -0.00002 0.00019 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00004 -0.00039 -0.00002 -0.00005 150 3PX -0.00001 0.00008 -0.00078 0.00002 -0.00005 151 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00001 152 3PZ 0.00000 -0.00002 -0.00008 0.00000 0.00012 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 -0.00001 0.00001 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 0.00014 0.00058 0.00001 0.00128 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00002 0.00000 0.00002 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.75617 52 3PX 0.00000 0.26575 53 3PY 0.00000 0.00000 0.26973 54 3PZ 0.00000 0.00000 0.00000 0.30867 55 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 56 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00308 -0.00017 -0.00010 -0.00289 0.00003 62 2S -0.01369 0.00035 -0.00031 -0.01159 0.00011 63 6 H 1S 0.00001 0.00002 0.00003 0.00000 0.00000 64 2S 0.00029 0.00085 0.00122 -0.00018 0.00000 65 7 H 1S -0.00186 0.00063 -0.00065 -0.00614 -0.00001 66 2S -0.00584 0.00420 -0.00314 -0.03000 -0.00022 67 8 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 68 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 69 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 70 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 72 3S 0.00661 0.00000 -0.00515 -0.00001 -0.00002 73 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 74 3PY -0.00516 0.00000 -0.02517 0.00000 -0.00006 75 3PZ 0.00001 0.00000 0.00000 0.00162 0.00000 76 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 77 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 78 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 83 2S -0.00219 -0.02178 -0.00266 0.00432 0.00072 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00002 0.00004 0.00001 0.00000 0.00000 90 3PX 0.00006 0.00032 0.00002 -0.00004 0.00000 91 3PY 0.00001 0.00005 0.00000 0.00000 0.00000 92 3PZ 0.00000 -0.00003 0.00001 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00007 -0.00007 -0.00007 0.00000 0.00000 105 3PX -0.00005 0.00013 0.00009 0.00000 0.00000 106 3PY -0.00008 -0.00022 -0.00003 -0.00002 0.00000 107 3PZ -0.00001 0.00000 0.00000 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00001 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 119 3S 0.00006 0.00035 -0.00004 0.00015 0.00000 120 3PX -0.00005 -0.00009 -0.00024 0.00012 0.00000 121 3PY -0.00001 -0.00017 -0.00002 -0.00007 0.00000 122 3PZ 0.00012 0.00008 0.00010 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00001 -0.00005 0.00000 -0.00002 0.00000 131 2PX -0.00010 -0.00014 0.00000 -0.00010 0.00000 132 2PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 133 2PZ -0.00004 -0.00005 -0.00001 0.00002 0.00000 134 3S -0.00078 -0.00048 0.00015 -0.00046 -0.00001 135 3PX -0.00100 -0.00116 0.00019 -0.00169 -0.00001 136 3PY -0.00007 -0.00027 -0.00015 -0.00024 -0.00001 137 3PZ -0.00014 0.00167 -0.00013 0.00090 0.00002 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00011 0.00000 -0.00001 0.00000 146 2PX -0.00009 -0.00099 -0.00001 -0.00009 0.00000 147 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 148 2PZ 0.00001 -0.00003 0.00000 0.00005 0.00000 149 3S 0.00004 -0.00342 -0.00013 -0.00044 -0.00002 150 3PX 0.00080 -0.00509 0.00011 -0.00047 0.00010 151 3PY 0.00005 -0.00042 0.00010 -0.00005 0.00000 152 3PZ -0.00007 -0.00053 -0.00002 0.00119 0.00001 153 4XX -0.00001 0.00003 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00008 -0.00002 -0.00003 0.00000 165 3PX 0.00024 0.00030 -0.00003 -0.00005 -0.00001 166 3PY 0.00001 0.00004 0.00001 0.00000 0.00000 167 3PZ -0.00003 0.00002 0.00000 0.00003 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00016 -0.00013 0.00017 -0.00008 0.00000 180 19 H 1S -0.00014 0.00000 0.00000 -0.00002 0.00000 181 2S 0.00092 0.00352 0.00006 0.00671 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00026 0.00011 0.00012 0.00001 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 0.00000 -0.00002 0.00000 56 57 58 59 60 56 4YY 0.00294 57 4ZZ -0.00008 0.00079 58 4XY 0.00000 0.00000 0.00161 59 4XZ 0.00000 0.00000 0.00000 0.00045 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 61 5 H 1S 0.00000 0.00008 0.00001 0.00006 0.00001 62 2S 0.00015 0.00047 0.00002 0.00007 0.00004 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00002 -0.00001 0.00000 0.00000 -0.00001 65 7 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 66 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 67 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00029 0.00002 0.00000 0.00000 0.00000 73 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 74 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 78 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 83 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00000 0.00001 0.00000 135 3PX 0.00002 0.00001 0.00000 0.00002 -0.00001 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00002 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00003 -0.00005 0.00001 0.00000 0.00000 151 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00008 0.00005 0.00000 0.00004 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21550 62 2S 0.10064 0.12401 63 6 H 1S 0.00000 -0.00015 0.21548 64 2S -0.00015 0.00011 0.10060 0.12393 65 7 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.22401 66 2S -0.00001 -0.00038 -0.00001 -0.00038 0.12137 67 8 O 1S 0.00000 0.00000 0.00000 0.00016 0.00000 68 2S 0.00000 0.00003 -0.00006 -0.00225 -0.00004 69 2PX 0.00000 0.00010 -0.00004 -0.00058 0.00002 70 2PY 0.00000 0.00014 -0.00001 -0.00012 -0.00003 71 2PZ 0.00000 -0.00001 -0.00014 -0.00325 -0.00026 72 3S 0.00001 0.00029 -0.00308 -0.01370 -0.00186 73 3PX 0.00002 0.00085 -0.00017 0.00033 0.00063 74 3PY 0.00003 0.00122 -0.00010 -0.00030 -0.00064 75 3PZ 0.00000 -0.00019 -0.00288 -0.01156 -0.00614 76 4XX 0.00000 0.00000 0.00003 0.00011 -0.00001 77 4YY 0.00000 0.00002 0.00000 0.00014 0.00000 78 4ZZ 0.00000 -0.00001 0.00008 0.00047 0.00009 79 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 80 4XZ 0.00000 0.00000 0.00006 0.00007 0.00001 81 4YZ 0.00000 -0.00001 0.00001 0.00003 0.00003 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00073 83 2S 0.00000 0.00008 0.00000 0.00008 -0.01186 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 -0.00003 0.00000 86 2PX 0.00000 0.00011 -0.00001 -0.00048 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 88 2PZ 0.00000 0.00003 0.00000 -0.00005 0.00000 89 3S 0.00002 0.00017 -0.00008 -0.00017 0.00000 90 3PX 0.00006 0.00120 -0.00081 -0.00194 0.00000 91 3PY 0.00002 0.00023 0.00003 0.00021 0.00000 92 3PZ 0.00000 0.00027 -0.00026 -0.00063 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00004 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 96 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00003 0.00000 100 2S 0.00000 0.00002 -0.00002 -0.00064 0.00000 101 2PX 0.00000 0.00003 -0.00005 -0.00107 0.00000 102 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00003 -0.00004 -0.00122 0.00000 104 3S 0.00000 0.00009 -0.00059 -0.00381 0.00001 105 3PX 0.00004 0.00051 -0.00157 -0.00489 0.00001 106 3PY -0.00001 -0.00013 -0.00001 -0.00003 0.00001 107 3PZ 0.00002 0.00041 -0.00084 -0.00394 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00006 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00002 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00004 0.00000 119 3S 0.00000 0.00014 -0.00001 -0.00003 -0.00008 120 3PX 0.00000 -0.00002 -0.00002 -0.00010 -0.00006 121 3PY 0.00000 0.00008 0.00000 0.00003 0.00000 122 3PZ 0.00000 0.00006 0.00002 0.00049 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00002 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 134 3S -0.00001 -0.00002 0.00000 0.00014 -0.00008 135 3PX -0.00002 -0.00010 0.00000 -0.00002 -0.00006 136 3PY 0.00000 0.00003 0.00000 0.00008 0.00000 137 3PZ 0.00002 0.00049 0.00000 0.00006 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 145 2S -0.00002 -0.00065 0.00000 0.00002 0.00000 146 2PX -0.00005 -0.00108 0.00000 0.00003 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00003 0.00000 148 2PZ -0.00005 -0.00123 0.00000 0.00003 0.00000 149 3S -0.00059 -0.00384 0.00000 0.00009 0.00001 150 3PX -0.00157 -0.00491 0.00004 0.00051 0.00001 151 3PY 0.00000 -0.00002 -0.00001 -0.00013 0.00001 152 3PZ -0.00084 -0.00396 0.00002 0.00041 0.00000 153 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00003 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 161 2PX -0.00001 -0.00049 0.00000 0.00011 0.00000 162 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00005 0.00000 0.00003 0.00000 164 3S -0.00007 -0.00016 0.00002 0.00017 0.00000 165 3PX -0.00081 -0.00194 0.00006 0.00120 0.00000 166 3PY 0.00003 0.00021 0.00002 0.00023 0.00000 167 3PZ -0.00026 -0.00063 0.00000 0.00028 0.00000 168 4XX 0.00000 -0.00004 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 171 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 175 2S 0.00000 0.00002 0.00000 0.00027 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 177 2S 0.00000 -0.00003 -0.00011 -0.00015 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 179 2S 0.00000 -0.00005 0.00003 0.00048 -0.00038 180 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 181 2S 0.00003 0.00048 0.00000 -0.00005 -0.00038 182 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 183 2S -0.00011 -0.00016 0.00000 -0.00003 0.00000 184 21 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 185 2S 0.00000 0.00027 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.19872 67 8 O 1S 0.00005 2.07557 68 2S -0.00073 -0.04159 0.50359 69 2PX 0.00089 0.00000 0.00000 0.64792 70 2PY -0.00090 0.00000 0.00000 0.00000 0.66572 71 2PZ -0.00756 0.00000 0.00000 0.00000 0.00000 72 3S -0.00585 -0.04102 0.45245 0.00000 0.00000 73 3PX 0.00420 0.00000 0.00000 0.20361 0.00000 74 3PY -0.00310 0.00000 0.00000 0.00000 0.21186 75 3PZ -0.03003 0.00000 0.00000 0.00000 0.00000 76 4XX -0.00022 -0.00051 -0.00156 0.00000 0.00000 77 4YY -0.00014 -0.00042 -0.00456 0.00000 0.00000 78 4ZZ 0.00078 -0.00047 -0.00299 0.00000 0.00000 79 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 81 4YZ -0.00016 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.01284 0.00000 -0.00005 -0.00023 -0.00003 83 2S -0.04733 0.00006 -0.00107 -0.00553 -0.00102 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00005 0.00000 0.00000 0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00003 0.00000 0.00000 -0.00001 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 104 3S 0.00037 0.00000 0.00004 -0.00039 -0.00002 105 3PX 0.00025 -0.00001 0.00008 -0.00078 0.00002 106 3PY 0.00025 0.00000 0.00001 -0.00007 0.00001 107 3PZ -0.00019 0.00000 -0.00002 -0.00008 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00018 0.00000 0.00000 0.00000 0.00000 117 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00056 0.00000 -0.00009 -0.00006 0.00002 120 3PX 0.00109 0.00000 -0.00007 -0.00019 0.00004 121 3PY -0.00010 0.00000 -0.00001 -0.00004 -0.00002 122 3PZ 0.00006 0.00000 0.00001 0.00028 -0.00002 123 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00018 0.00000 0.00000 0.00000 0.00000 132 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00057 0.00000 0.00000 0.00002 0.00000 135 3PX 0.00109 0.00000 0.00000 -0.00001 -0.00002 136 3PY -0.00010 0.00000 0.00000 -0.00002 0.00000 137 3PZ 0.00006 0.00000 0.00000 0.00000 0.00001 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 149 3S 0.00037 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00025 0.00000 0.00000 0.00001 0.00001 151 3PY 0.00025 0.00000 -0.00001 -0.00001 0.00000 152 3PZ -0.00019 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00001 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00005 0.00000 0.00000 0.00001 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00001 0.00000 0.00002 0.00000 0.00002 178 18 H 1S 0.00030 0.00000 0.00000 0.00000 0.00000 179 2S -0.00172 -0.00001 0.00014 0.00058 0.00001 180 19 H 1S 0.00030 0.00000 0.00000 0.00000 0.00000 181 2S -0.00171 0.00000 0.00001 -0.00001 0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00008 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PZ 0.71641 72 3S 0.00000 0.75616 73 3PX 0.00000 0.00000 0.26576 74 3PY 0.00000 0.00000 0.00000 0.26986 75 3PZ 0.23205 0.00000 0.00000 0.00000 0.30839 76 4XX 0.00000 -0.00294 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.01283 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00451 0.00000 0.00000 0.00000 79 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00003 -0.00164 -0.00522 -0.00040 0.00076 83 2S 0.00091 -0.00219 -0.02178 -0.00267 0.00434 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00008 -0.00002 -0.00003 90 3PX 0.00000 0.00024 0.00030 -0.00003 -0.00005 91 3PY 0.00000 0.00001 0.00004 0.00001 0.00000 92 3PZ 0.00000 -0.00002 0.00002 0.00000 0.00003 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00011 0.00000 -0.00001 101 2PX 0.00000 -0.00009 -0.00099 -0.00001 -0.00009 102 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 103 2PZ 0.00000 0.00001 -0.00003 0.00000 0.00005 104 3S -0.00005 0.00003 -0.00339 -0.00013 -0.00044 105 3PX -0.00006 0.00079 -0.00510 0.00011 -0.00047 106 3PY -0.00001 0.00005 -0.00042 0.00011 -0.00005 107 3PZ 0.00011 -0.00007 -0.00053 -0.00002 0.00118 108 4XX 0.00000 -0.00001 0.00003 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00001 -0.00005 0.00000 -0.00002 116 2PX 0.00000 -0.00010 -0.00014 0.00000 -0.00010 117 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 118 2PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 119 3S -0.00006 -0.00078 -0.00049 0.00015 -0.00046 120 3PX -0.00031 -0.00100 -0.00116 0.00019 -0.00169 121 3PY -0.00004 -0.00007 -0.00026 -0.00015 -0.00024 122 3PZ 0.00019 -0.00013 0.00167 -0.00013 0.00089 123 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 134 3S 0.00001 0.00006 0.00035 -0.00004 0.00016 135 3PX 0.00002 -0.00005 -0.00009 -0.00024 0.00012 136 3PY -0.00001 -0.00001 -0.00017 -0.00002 -0.00007 137 3PZ 0.00000 0.00012 0.00008 0.00010 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00007 -0.00007 -0.00007 -0.00001 150 3PX 0.00000 -0.00005 0.00013 0.00010 0.00000 151 3PY 0.00000 -0.00008 -0.00022 -0.00003 -0.00002 152 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00002 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00002 0.00004 0.00001 0.00000 165 3PX 0.00000 0.00006 0.00032 0.00002 -0.00004 166 3PY 0.00000 0.00001 0.00005 0.00000 0.00000 167 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00026 0.00011 0.00012 0.00001 178 18 H 1S 0.00000 -0.00014 0.00000 0.00000 -0.00002 179 2S 0.00128 0.00093 0.00353 0.00007 0.00671 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 0.00016 -0.00013 0.00017 -0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00004 0.00000 0.00000 -0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 76 77 78 79 80 76 4XX 0.00104 77 4YY -0.00011 0.00294 78 4ZZ 0.00001 -0.00008 0.00079 79 4XY 0.00000 0.00000 0.00000 0.00161 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00045 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00010 0.00000 -0.00001 0.00003 0.00001 83 2S 0.00072 -0.00028 -0.00024 -0.00009 0.00002 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00002 0.00002 0.00000 0.00000 0.00000 105 3PX 0.00010 -0.00003 -0.00005 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00001 0.00000 0.00000 0.00001 120 3PX -0.00001 0.00002 0.00001 0.00000 0.00002 121 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00002 -0.00001 0.00000 0.00000 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00008 0.00005 0.00000 0.00004 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4YZ 0.00151 82 9 H 1S 0.00000 0.22350 83 2S 0.00001 0.11455 0.16576 84 10 C 1S 0.00000 0.00000 0.00000 2.05271 85 2S 0.00000 0.00000 0.00000 -0.01361 0.32497 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 -0.02960 0.20114 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00113 -0.00673 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00219 95 4ZZ 0.00000 0.00000 0.00000 -0.00128 -0.00379 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00058 100 2S 0.00000 0.00000 0.00000 -0.00054 0.01134 101 2PX 0.00000 0.00000 0.00000 -0.00131 0.02019 102 2PY 0.00000 0.00000 0.00000 -0.00068 0.00940 103 2PZ 0.00000 0.00000 0.00000 -0.00092 0.01358 104 3S 0.00000 0.00000 -0.00003 -0.00055 0.01144 105 3PX 0.00000 0.00000 -0.00003 -0.00101 0.01275 106 3PY 0.00000 0.00000 -0.00002 -0.00059 0.00678 107 3PZ 0.00000 0.00000 0.00000 -0.00032 0.00386 108 4XX 0.00000 0.00000 0.00000 -0.00004 0.00057 109 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00019 111 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 112 4XZ 0.00000 0.00000 0.00000 -0.00011 0.00116 113 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00066 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 116 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 119 3S 0.00000 0.00000 0.00002 0.00004 -0.00076 120 3PX -0.00001 0.00000 0.00001 0.00004 -0.00065 121 3PY 0.00001 0.00000 0.00001 0.00000 0.00004 122 3PZ 0.00000 0.00000 0.00002 0.00012 -0.00217 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 134 3S 0.00000 0.00000 0.00002 0.00002 -0.00039 135 3PX 0.00000 0.00000 0.00001 0.00000 -0.00005 136 3PY 0.00000 0.00000 0.00001 0.00001 -0.00022 137 3PZ 0.00000 0.00000 0.00002 0.00002 -0.00032 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 146 2PX 0.00000 0.00000 0.00000 0.00000 -0.00011 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00024 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 149 3S 0.00000 0.00000 -0.00003 0.00004 -0.00122 150 3PX 0.00000 0.00000 -0.00003 0.00004 -0.00090 151 3PY 0.00000 0.00000 -0.00002 0.00006 -0.00155 152 3PZ 0.00000 0.00000 0.00000 0.00003 -0.00048 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00003 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00047 160 2S 0.00000 0.00000 0.00000 -0.00047 0.00970 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00258 0.04008 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 -0.00027 0.01148 165 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 -0.00172 0.02370 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00042 169 4YY 0.00000 0.00000 0.00000 -0.00026 0.00362 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 -0.00198 0.03084 175 2S 0.00000 0.00000 0.00000 -0.00120 0.01190 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 177 2S 0.00000 0.00000 0.00000 0.00019 -0.00267 178 18 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 179 2S 0.00000 0.00001 0.00025 0.00000 0.00015 180 19 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 181 2S 0.00000 0.00001 0.00025 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00013 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00017 185 2S 0.00000 0.00000 0.00000 0.00019 -0.00265 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00001 86 87 88 89 90 86 2PX 0.36895 87 2PY 0.00000 0.41338 88 2PZ 0.00000 0.00000 0.39021 89 3S 0.00000 0.00000 0.00000 0.25001 90 3PX 0.10335 0.00000 0.00000 0.00000 0.11994 91 3PY 0.00000 0.07886 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.09564 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00197 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00154 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00143 -0.00063 -0.00090 0.00070 -0.00061 100 2S 0.02090 0.00939 0.01263 0.00575 0.01222 101 2PX -0.00059 0.01795 0.03909 0.00747 0.00369 102 2PY 0.01830 -0.00035 0.00748 0.01241 0.00806 103 2PZ 0.03412 0.00936 0.00059 0.00721 0.01434 104 3S 0.02142 0.00593 0.01307 -0.01469 0.01145 105 3PX 0.00244 0.00818 0.02057 -0.00314 0.01827 106 3PY 0.00704 -0.00074 0.00274 0.00543 0.00361 107 3PZ 0.01526 0.00377 0.00259 0.00232 0.01265 108 4XX -0.00099 0.00080 0.00132 0.00122 -0.00161 109 4YY -0.00023 -0.00025 -0.00019 -0.00157 -0.00022 110 4ZZ 0.00033 0.00013 -0.00071 0.00062 0.00152 111 4XY 0.00030 -0.00003 0.00117 0.00021 0.00001 112 4XZ 0.00033 0.00096 0.00003 0.00039 -0.00002 113 4YZ 0.00117 -0.00002 0.00009 0.00021 0.00018 114 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 115 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 116 2PX 0.00000 0.00000 -0.00022 -0.00082 0.00015 117 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 118 2PZ -0.00032 0.00000 -0.00022 -0.00011 -0.00079 119 3S 0.00005 0.00002 -0.00378 0.00248 0.00383 120 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 121 3PY 0.00002 0.00013 0.00009 0.00010 -0.00003 122 3PZ -0.00313 0.00004 -0.00217 0.00150 -0.00198 123 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 124 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 125 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 130 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 131 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 132 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 133 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 134 3S -0.00025 -0.00036 -0.00017 -0.00468 -0.00148 135 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 136 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00157 137 3PZ 0.00017 -0.00075 -0.00016 -0.00523 -0.00028 138 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 145 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 146 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 147 2PY -0.00002 -0.00052 -0.00005 -0.00557 -0.00006 148 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 149 3S -0.00102 -0.00147 -0.00108 -0.00157 -0.00090 150 3PX -0.00004 -0.00125 -0.00095 0.00466 -0.00291 151 3PY -0.00010 0.00064 -0.00066 -0.00669 0.00028 152 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 153 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 154 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 155 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 156 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 157 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 158 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 159 15 C 1S 0.00000 -0.00258 0.00000 -0.00027 0.00000 160 2S 0.00000 0.04008 0.00000 0.01147 0.00000 161 2PX 0.01116 0.00000 0.00000 0.00000 0.01910 162 2PY 0.00000 0.09681 0.00000 0.03099 0.00000 163 2PZ 0.00000 0.00000 0.00839 -0.00001 0.00000 164 3S 0.00000 0.03097 0.00001 -0.00963 0.00000 165 3PX 0.01911 0.00000 0.00000 0.00000 0.02602 166 3PY 0.00000 0.01764 0.00000 0.00846 -0.00001 167 3PZ 0.00000 0.00001 0.01654 -0.00001 0.00000 168 4XX 0.00000 -0.00106 0.00000 -0.00148 0.00000 169 4YY 0.00000 0.00223 0.00000 0.00401 0.00000 170 4ZZ 0.00000 -0.00112 0.00000 -0.00135 0.00000 171 4XY 0.00201 0.00000 0.00000 0.00000 0.00097 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00210 0.00000 0.00000 174 16 H 1S 0.02438 0.02398 0.04953 0.04347 0.00829 175 2S 0.01603 0.01551 0.03428 0.03824 0.00518 176 17 H 1S -0.00019 -0.00048 -0.00007 -0.00450 -0.00158 177 2S -0.00255 -0.00652 -0.00039 -0.01535 -0.00581 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 179 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 181 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 182 20 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 183 2S 0.00003 0.00051 0.00001 0.00219 0.00018 184 21 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 185 2S -0.00091 -0.00840 -0.00152 -0.01700 0.00059 186 22 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 187 2S 0.00013 0.00000 -0.00054 -0.00080 0.00059 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 189 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 91 92 93 94 95 91 3PY 0.06235 92 3PZ 0.00000 0.09323 93 4XX 0.00000 0.00000 0.00092 94 4YY 0.00000 0.00000 -0.00008 0.00114 95 4ZZ 0.00000 0.00000 0.00007 -0.00007 0.00089 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00036 0.00034 -0.00003 0.00001 0.00000 100 2S 0.00250 0.00197 0.00050 -0.00046 0.00001 101 2PX 0.01212 0.01591 -0.00076 -0.00033 0.00041 102 2PY 0.00130 0.00065 0.00066 -0.00027 0.00025 103 2PZ 0.00370 0.00349 0.00099 -0.00033 -0.00055 104 3S 0.00032 0.00072 0.00112 -0.00075 -0.00045 105 3PX 0.01059 0.01513 -0.00122 0.00008 0.00087 106 3PY 0.00089 -0.00047 0.00038 -0.00056 -0.00013 107 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 108 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 109 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 110 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 111 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 112 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 113 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 114 12 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 115 2S -0.00004 -0.00177 0.00000 0.00000 0.00001 116 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 117 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 118 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 119 3S -0.00019 -0.00949 0.00010 -0.00012 0.00019 120 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 121 3PY 0.00105 0.00014 0.00000 0.00000 -0.00001 122 3PZ -0.00017 0.00127 0.00004 -0.00015 0.00050 123 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 125 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 128 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 130 2S -0.00018 -0.00043 0.00000 0.00000 0.00000 131 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 132 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 133 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 134 3S -0.00259 -0.00056 -0.00002 0.00003 0.00003 135 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 136 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 137 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 138 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 140 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 141 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 143 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 145 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 146 2PX 0.00142 0.00025 0.00000 0.00001 0.00000 147 2PY -0.00578 0.00006 0.00000 0.00006 0.00000 148 2PZ -0.00046 -0.00044 0.00000 0.00002 0.00000 149 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 150 3PX 0.00393 -0.00051 0.00010 -0.00006 -0.00002 151 3PY -0.00163 -0.00011 0.00004 0.00012 0.00000 152 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 153 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 154 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 155 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 156 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00172 0.00000 0.00000 -0.00026 0.00000 160 2S 0.02368 0.00000 -0.00042 0.00361 -0.00047 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01764 -0.00001 -0.00106 0.00223 -0.00112 163 2PZ 0.00000 0.01656 0.00000 0.00000 0.00000 164 3S 0.00843 0.00001 -0.00148 0.00401 -0.00135 165 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00146 0.00000 -0.00163 0.00113 -0.00110 167 3PZ 0.00000 0.02466 0.00000 0.00000 0.00000 168 4XX -0.00162 0.00000 0.00001 -0.00004 0.00001 169 4YY 0.00113 0.00000 -0.00004 -0.00008 -0.00004 170 4ZZ -0.00110 0.00000 0.00001 -0.00004 0.00002 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00084 0.00000 0.00000 0.00000 174 16 H 1S 0.00998 0.02194 -0.00039 -0.00082 0.00160 175 2S 0.00737 0.02136 0.00026 -0.00135 0.00255 176 17 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 177 2S -0.00204 -0.00017 -0.00025 0.00097 -0.00025 178 18 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 179 2S 0.00048 0.00247 -0.00001 0.00000 -0.00001 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00040 -0.00009 0.00000 0.00000 0.00000 182 20 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 183 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 184 21 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 185 2S -0.01421 -0.00032 0.00011 -0.00017 0.00014 186 22 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 187 2S -0.00011 -0.00405 0.00002 0.00000 -0.00004 188 23 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 189 2S -0.00030 0.00142 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00000 0.00067 98 4YZ 0.00000 0.00000 0.00117 99 11 C 1S -0.00009 -0.00009 -0.00007 2.05498 100 2S 0.00084 0.00096 0.00068 -0.01344 0.32634 101 2PX 0.00020 0.00031 0.00124 0.00000 0.00000 102 2PY -0.00002 0.00105 -0.00001 0.00000 0.00000 103 2PZ 0.00121 -0.00005 0.00005 0.00000 0.00000 104 3S 0.00046 0.00026 0.00036 -0.03644 0.23607 105 3PX 0.00000 -0.00001 0.00030 0.00000 0.00000 106 3PY 0.00002 0.00009 0.00001 0.00000 0.00000 107 3PZ 0.00025 0.00002 0.00004 0.00000 0.00000 108 4XX 0.00000 0.00000 -0.00007 -0.00090 -0.00921 109 4YY 0.00000 -0.00010 0.00000 -0.00145 0.00112 110 4ZZ -0.00010 0.00001 -0.00002 -0.00111 -0.00518 111 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 112 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 115 2S 0.00000 0.00001 0.00000 -0.00020 0.00510 116 2PX 0.00000 0.00001 0.00000 -0.00009 0.00177 117 2PY 0.00000 0.00000 0.00000 -0.00019 0.00370 118 2PZ 0.00000 0.00005 0.00000 -0.00117 0.02399 119 3S 0.00000 0.00008 -0.00001 0.00013 0.00692 120 3PX 0.00000 0.00001 0.00000 -0.00008 0.00180 121 3PY -0.00003 0.00000 -0.00001 -0.00024 0.00224 122 3PZ -0.00001 0.00018 0.00000 -0.00127 0.01981 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00030 124 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 125 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00166 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00007 127 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00039 128 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00082 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 134 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00058 135 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00008 136 3PY 0.00000 -0.00002 0.00001 0.00009 -0.00203 137 3PZ -0.00003 0.00000 -0.00001 0.00000 -0.00047 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00002 0.00000 0.00001 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00005 0.00000 0.00000 147 2PY 0.00006 0.00000 0.00002 0.00000 -0.00007 148 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 149 3S 0.00014 0.00000 0.00009 0.00007 -0.00089 150 3PX 0.00001 0.00000 0.00018 0.00000 0.00000 151 3PY 0.00014 0.00001 0.00006 0.00011 -0.00067 152 3PZ 0.00012 0.00000 0.00002 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 161 2PX 0.00201 0.00000 0.00000 0.00000 -0.00001 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 163 2PZ 0.00000 0.00000 0.00210 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 -0.00002 -0.00118 165 3PX 0.00097 0.00000 0.00000 -0.00006 0.00040 166 3PY 0.00000 0.00000 0.00000 0.00010 -0.00274 167 3PZ 0.00000 0.00000 0.00085 -0.00004 -0.00007 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY -0.00012 0.00000 0.00000 0.00000 0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 -0.00022 0.00000 0.00001 174 16 H 1S 0.00113 0.00172 0.00226 0.00000 -0.00020 175 2S 0.00027 0.00030 0.00052 0.00026 -0.00342 176 17 H 1S 0.00004 -0.00001 0.00002 -0.00196 0.03098 177 2S 0.00009 -0.00008 0.00007 -0.00121 0.01238 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 179 2S 0.00000 0.00000 0.00000 0.00020 -0.00287 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00009 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 0.00000 0.00000 0.00000 0.00002 184 21 H 1S 0.00003 0.00000 0.00005 0.00000 0.00000 185 2S 0.00012 0.00000 0.00026 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 187 2S 0.00000 -0.00001 -0.00001 0.00018 -0.00332 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00006 101 102 103 104 105 101 2PX 0.35439 102 2PY 0.00000 0.41152 103 2PZ 0.00000 0.00000 0.38402 104 3S 0.00000 0.00000 0.00000 0.30042 105 3PX 0.11192 0.00000 0.00000 0.00000 0.12493 106 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09696 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00012 -0.00023 -0.00095 -0.00008 -0.00013 115 2S 0.00226 0.00422 0.01885 0.00439 0.00144 116 2PX 0.00002 0.00094 0.00651 0.00233 0.00001 117 2PY 0.00070 -0.00062 0.01253 0.00316 0.00032 118 2PZ 0.00793 0.01385 0.04488 0.02221 0.00380 119 3S 0.00566 0.00979 0.01745 0.00013 0.00759 120 3PX -0.00001 0.00068 0.00366 0.00181 -0.00075 121 3PY 0.00058 0.00036 0.00757 0.00224 0.00009 122 3PZ 0.00426 0.00819 0.01551 0.01208 0.00264 123 4XX 0.00003 -0.00007 -0.00038 -0.00096 -0.00026 124 4YY -0.00003 -0.00005 -0.00029 -0.00038 -0.00014 125 4ZZ 0.00058 0.00107 0.00023 0.00238 0.00065 126 4XY 0.00004 0.00001 0.00021 0.00004 0.00005 127 4XZ 0.00047 0.00020 0.00058 0.00013 0.00053 128 4YZ 0.00023 0.00006 0.00129 0.00035 0.00005 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S 0.00000 -0.00008 -0.00005 -0.00040 -0.00010 131 2PX 0.00000 -0.00001 0.00000 -0.00011 -0.00004 132 2PY 0.00000 -0.00027 -0.00017 -0.00123 -0.00020 133 2PZ 0.00000 -0.00004 -0.00006 0.00017 -0.00019 134 3S -0.00039 -0.00335 0.00006 -0.00142 -0.00184 135 3PX 0.00020 -0.00018 0.00002 -0.00034 0.00051 136 3PY -0.00020 -0.00449 -0.00131 -0.00425 -0.00084 137 3PZ -0.00018 -0.00024 -0.00028 0.00049 -0.00062 138 4XX 0.00000 0.00000 0.00000 0.00001 0.00001 139 4YY 0.00000 0.00001 0.00000 0.00002 0.00003 140 4ZZ 0.00000 -0.00001 0.00000 -0.00002 -0.00004 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 142 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 143 4YZ 0.00000 0.00003 0.00002 0.00005 0.00002 144 14 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 145 2S 0.00000 -0.00007 0.00000 -0.00089 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00148 147 2PY 0.00000 -0.00020 0.00000 -0.00117 0.00000 148 2PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 149 3S 0.00000 -0.00117 0.00000 -0.00468 0.00000 150 3PX -0.00148 0.00000 0.00000 0.00000 -0.00749 151 3PY 0.00000 0.00120 0.00000 -0.00137 0.00000 152 3PZ 0.00000 0.00000 -0.00097 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 154 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00011 -0.00024 -0.00005 -0.00122 -0.00089 161 2PX 0.00001 -0.00002 -0.00006 -0.00102 -0.00004 162 2PY -0.00025 -0.00053 -0.00010 -0.00148 -0.00124 163 2PZ -0.00008 -0.00005 0.00000 -0.00108 -0.00095 164 3S 0.00136 -0.00557 0.00025 -0.00157 0.00466 165 3PX -0.00041 -0.00005 -0.00025 -0.00090 -0.00294 166 3PY 0.00143 -0.00580 -0.00045 -0.00347 0.00395 167 3PZ 0.00025 0.00007 -0.00044 -0.00043 -0.00052 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00010 169 4YY 0.00001 0.00006 0.00002 0.00009 -0.00006 170 4ZZ 0.00000 0.00000 0.00000 0.00005 -0.00002 171 4XY 0.00000 0.00006 0.00004 0.00014 0.00001 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00005 0.00002 0.00000 0.00009 0.00018 174 16 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 175 2S -0.00577 0.00001 -0.00551 -0.01509 -0.01064 176 17 H 1S 0.00105 0.09691 0.00071 0.04240 0.00025 177 2S 0.00024 0.06456 0.00050 0.02341 -0.00063 178 18 H 1S -0.00026 0.00000 -0.00029 -0.00230 -0.00206 179 2S -0.00585 -0.00011 -0.00246 -0.01152 -0.01244 180 19 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 181 2S 0.00011 0.00014 0.00006 0.00041 0.00088 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00006 0.00000 0.00020 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 185 2S 0.00023 0.00019 0.00011 0.00169 0.00167 186 22 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 187 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 188 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 189 2S 0.00001 0.00010 0.00023 0.00004 0.00006 106 107 108 109 110 106 3PY 0.05320 107 3PZ 0.00000 0.09658 108 4XX 0.00000 0.00000 0.00149 109 4YY 0.00000 0.00000 -0.00017 0.00186 110 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00030 -0.00056 0.00000 0.00001 -0.00008 115 2S 0.00326 0.01094 -0.00025 -0.00028 0.00173 116 2PX 0.00013 0.00152 0.00003 -0.00004 0.00057 117 2PY -0.00169 0.00721 -0.00003 -0.00005 0.00112 118 2PZ 0.00266 0.01201 -0.00056 -0.00047 -0.00015 119 3S 0.00648 -0.00034 -0.00076 -0.00148 0.00324 120 3PX -0.00003 0.00123 -0.00020 -0.00007 0.00038 121 3PY -0.00188 0.00560 -0.00013 -0.00035 0.00081 122 3PZ 0.00064 0.00191 -0.00046 -0.00095 0.00011 123 4XX 0.00001 0.00004 0.00002 -0.00001 0.00000 124 4YY -0.00033 -0.00006 0.00000 0.00002 -0.00008 125 4ZZ 0.00047 -0.00049 -0.00005 -0.00006 0.00007 126 4XY 0.00002 0.00003 0.00000 0.00000 0.00001 127 4XZ 0.00001 0.00015 0.00000 -0.00001 -0.00007 128 4YZ 0.00023 0.00018 -0.00002 0.00000 -0.00007 129 13 C 1S 0.00005 0.00002 0.00000 0.00000 0.00000 130 2S -0.00095 -0.00046 0.00000 0.00001 0.00000 131 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 132 2PY -0.00107 -0.00158 0.00000 0.00005 -0.00001 133 2PZ 0.00178 -0.00044 0.00000 0.00000 0.00000 134 3S -0.00547 0.00200 -0.00002 0.00026 -0.00011 135 3PX -0.00015 0.00022 0.00000 0.00001 0.00000 136 3PY -0.00384 -0.00215 -0.00003 0.00058 -0.00029 137 3PZ 0.00275 -0.00015 -0.00003 0.00000 0.00001 138 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00004 -0.00010 0.00000 0.00000 0.00000 140 4ZZ 0.00006 0.00006 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 143 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 144 14 C 1S 0.00011 0.00000 0.00000 0.00000 0.00000 145 2S -0.00067 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00120 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00097 0.00000 0.00000 0.00000 149 3S -0.00139 0.00000 0.00001 0.00002 0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00481 0.00000 -0.00001 -0.00005 0.00001 152 3PZ 0.00000 -0.00447 0.00000 0.00000 0.00000 153 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 154 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 159 15 C 1S 0.00006 0.00003 0.00000 0.00000 0.00000 160 2S -0.00155 -0.00048 0.00000 0.00003 0.00000 161 2PX -0.00011 -0.00103 -0.00001 0.00001 0.00001 162 2PY 0.00064 -0.00151 -0.00001 0.00014 -0.00001 163 2PZ -0.00066 -0.00021 0.00001 0.00000 0.00000 164 3S -0.00670 -0.00143 -0.00002 0.00046 -0.00017 165 3PX 0.00026 -0.00241 -0.00013 0.00005 0.00010 166 3PY -0.00165 -0.00328 -0.00004 0.00070 -0.00027 167 3PZ -0.00011 -0.00242 0.00017 -0.00004 -0.00007 168 4XX 0.00004 -0.00007 0.00000 0.00000 0.00000 169 4YY 0.00012 0.00006 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 171 4XY 0.00014 0.00012 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00006 0.00002 0.00000 0.00000 0.00000 174 16 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 175 2S -0.00027 -0.00393 0.00015 -0.00035 0.00070 176 17 H 1S 0.04296 0.00018 -0.00103 0.00754 -0.00119 177 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 178 18 H 1S 0.00009 0.00033 0.00003 0.00000 0.00001 179 2S -0.00013 0.00543 0.00057 -0.00014 -0.00023 180 19 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 181 2S -0.00025 -0.00009 0.00000 -0.00001 0.00001 182 20 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 183 2S -0.00016 0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 185 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 186 22 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 187 2S 0.00030 -0.01807 -0.00008 -0.00012 0.00070 188 23 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 189 2S -0.00015 0.00192 0.00001 -0.00002 0.00000 111 112 113 114 115 111 4XY 0.00042 112 4XZ 0.00000 0.00069 113 4YZ 0.00000 0.00000 0.00065 114 12 C 1S 0.00000 -0.00002 -0.00004 2.05092 115 2S 0.00008 0.00027 0.00071 -0.01170 0.30682 116 2PX 0.00002 0.00055 0.00018 0.00000 0.00000 117 2PY 0.00000 0.00016 0.00007 0.00000 0.00000 118 2PZ 0.00023 0.00037 0.00126 0.00000 0.00000 119 3S 0.00007 0.00015 0.00037 -0.03425 0.22723 120 3PX 0.00002 0.00045 0.00004 0.00000 0.00000 121 3PY 0.00000 0.00003 0.00015 0.00000 0.00000 122 3PZ 0.00007 0.00003 0.00018 0.00000 0.00000 123 4XX 0.00000 0.00000 -0.00003 -0.00141 0.00014 124 4YY 0.00000 -0.00001 0.00000 -0.00123 -0.00365 125 4ZZ 0.00000 -0.00001 -0.00002 -0.00129 -0.00250 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00001 -0.00005 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 130 2S 0.00000 0.00000 0.00001 -0.00013 0.00349 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00005 -0.00105 0.02291 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00001 0.00000 0.00006 0.00028 0.00260 135 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 136 3PY 0.00001 -0.00001 0.00017 -0.00147 0.02051 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 139 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 140 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 149 3S 0.00000 0.00000 0.00000 0.00002 -0.00040 150 3PX -0.00002 0.00000 0.00000 0.00001 -0.00009 151 3PY 0.00000 0.00000 0.00000 0.00005 -0.00095 152 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00046 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00001 0.00000 0.00001 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 162 2PY 0.00006 -0.00001 0.00004 0.00000 0.00000 163 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 164 3S 0.00008 -0.00002 0.00005 0.00001 -0.00036 165 3PX 0.00000 -0.00001 0.00005 0.00000 0.00006 166 3PY 0.00010 -0.00001 0.00006 0.00001 -0.00018 167 3PZ 0.00004 0.00001 0.00000 0.00001 -0.00042 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00005 0.00000 0.00000 0.00000 175 2S -0.00002 0.00009 -0.00002 0.00000 0.00008 176 17 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00013 177 2S 0.00002 0.00000 0.00001 0.00016 -0.00247 178 18 H 1S 0.00000 0.00008 0.00000 -0.00170 0.02784 179 2S -0.00001 0.00030 -0.00002 -0.00043 0.00951 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 181 2S 0.00000 0.00000 0.00000 0.00009 -0.00166 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00006 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00002 0.00000 -0.00166 0.02733 187 2S 0.00000 0.00008 -0.00003 -0.00064 0.00994 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S 0.00000 0.00000 -0.00001 0.00013 -0.00208 116 117 118 119 120 116 2PX 0.41186 117 2PY 0.00000 0.38125 118 2PZ 0.00000 0.00000 0.38896 119 3S 0.00000 0.00000 0.00000 0.30206 120 3PX 0.10595 0.00000 0.00000 0.00000 0.08586 121 3PY 0.00000 0.09887 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 130 2S 0.00000 0.02291 0.00000 0.00260 0.00000 131 2PX -0.00005 0.00000 0.00000 0.00000 -0.00093 132 2PY 0.00000 0.07729 0.00000 0.02762 0.00000 133 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 134 3S 0.00000 0.02763 0.00000 -0.01566 0.00000 135 3PX -0.00094 0.00000 0.00000 0.00000 -0.00257 136 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 137 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 138 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 139 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 140 4ZZ 0.00000 -0.00064 0.00000 -0.00123 0.00000 141 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00011 -0.00004 -0.00058 -0.00008 146 2PX 0.00000 0.00000 0.00000 -0.00039 0.00020 147 2PY -0.00001 -0.00027 -0.00004 -0.00336 -0.00018 148 2PZ 0.00000 -0.00017 -0.00006 0.00006 0.00002 149 3S -0.00011 -0.00123 0.00017 -0.00142 -0.00033 150 3PX -0.00005 -0.00020 -0.00019 -0.00183 0.00051 151 3PY 0.00000 -0.00108 0.00177 -0.00547 -0.00014 152 3PZ 0.00006 -0.00158 -0.00044 0.00200 0.00022 153 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 154 4YY 0.00000 0.00005 0.00000 0.00026 0.00001 155 4ZZ 0.00000 -0.00001 0.00000 -0.00011 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 158 4YZ 0.00000 0.00005 0.00000 0.00006 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 160 2S 0.00000 0.00000 -0.00001 -0.00039 -0.00005 161 2PX 0.00000 -0.00002 0.00001 -0.00025 0.00000 162 2PY 0.00000 0.00001 -0.00002 -0.00037 -0.00004 163 2PZ -0.00001 0.00000 -0.00002 -0.00016 -0.00005 164 3S -0.00014 -0.00023 -0.00137 -0.00468 -0.00064 165 3PX 0.00004 -0.00038 -0.00006 -0.00148 0.00000 166 3PY -0.00033 0.00008 -0.00076 -0.00260 -0.00082 167 3PZ -0.00003 0.00010 -0.00116 -0.00055 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00002 -0.00001 169 4YY 0.00000 0.00000 0.00000 0.00003 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00001 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 173 4YZ 0.00000 0.00000 0.00000 -0.00004 -0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 175 2S 0.00009 0.00001 0.00033 0.00142 0.00048 176 17 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 177 2S -0.00020 -0.00445 -0.00432 -0.01622 -0.00051 178 18 H 1S 0.07933 0.01257 0.00669 0.03034 0.05116 179 2S 0.05033 0.00745 0.00401 -0.00479 0.04891 180 19 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 181 2S -0.00196 -0.00463 -0.00003 -0.00091 -0.00407 182 20 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 183 2S 0.00000 0.00029 0.00004 0.00130 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 186 22 H 1S 0.04263 0.00969 0.04457 0.03402 0.02644 187 2S 0.02848 0.00582 0.02894 0.01333 0.02781 188 23 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00055 189 2S -0.00121 -0.00487 -0.00081 -0.00792 -0.00243 121 122 123 124 125 121 3PY 0.08589 122 3PZ 0.00000 0.09072 123 4XX 0.00000 0.00000 0.00114 124 4YY 0.00000 0.00000 -0.00011 0.00121 125 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 130 2S 0.02052 0.00000 -0.00023 0.00250 -0.00022 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 133 2PZ 0.00000 -0.00123 0.00000 0.00000 0.00000 134 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.01442 0.00001 -0.00111 0.00189 -0.00167 137 3PZ -0.00001 -0.00415 0.00000 0.00000 0.00000 138 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 140 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 144 14 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 145 2S -0.00203 -0.00047 0.00000 0.00000 0.00000 146 2PX -0.00019 -0.00017 0.00000 0.00000 0.00000 147 2PY -0.00451 -0.00023 0.00000 0.00001 -0.00001 148 2PZ -0.00131 -0.00028 0.00000 0.00000 0.00000 149 3S -0.00425 0.00049 0.00001 0.00002 -0.00002 150 3PX -0.00083 -0.00061 0.00001 0.00003 -0.00004 151 3PY -0.00386 0.00274 -0.00005 0.00004 0.00006 152 3PZ -0.00215 -0.00014 0.00000 -0.00010 0.00006 153 4XX -0.00003 -0.00003 0.00000 0.00000 0.00000 154 4YY 0.00058 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00029 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00017 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00002 0.00000 0.00000 0.00000 160 2S -0.00022 -0.00032 0.00000 0.00000 0.00000 161 2PX -0.00053 0.00017 0.00000 0.00000 0.00000 162 2PY 0.00010 -0.00076 0.00000 0.00000 0.00000 163 2PZ 0.00006 -0.00016 0.00000 0.00000 0.00000 164 3S -0.00149 -0.00522 0.00004 0.00001 -0.00005 165 3PX -0.00158 -0.00027 0.00001 0.00001 -0.00002 166 3PY 0.00001 -0.00250 0.00003 0.00003 -0.00009 167 3PZ 0.00079 -0.00210 0.00004 -0.00005 0.00001 168 4XX -0.00003 0.00001 0.00000 0.00000 0.00000 169 4YY 0.00004 -0.00002 0.00000 0.00000 0.00000 170 4ZZ -0.00002 0.00003 0.00000 0.00000 0.00000 171 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 172 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00001 -0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 175 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 176 17 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 177 2S -0.00526 -0.00974 -0.00003 0.00065 -0.00038 178 18 H 1S 0.00789 0.00546 0.00438 -0.00078 -0.00093 179 2S 0.00648 0.00406 0.00431 -0.00101 -0.00231 180 19 H 1S -0.00277 -0.00020 0.00000 0.00002 0.00000 181 2S -0.00869 -0.00032 -0.00005 -0.00016 0.00020 182 20 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 183 2S 0.00301 0.00018 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 186 22 H 1S 0.00711 0.02917 0.00062 -0.00087 0.00099 187 2S 0.00657 0.02844 0.00050 -0.00155 0.00172 188 23 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 189 2S -0.00759 -0.00160 0.00013 -0.00003 0.00003 126 127 128 129 130 126 4XY 0.00096 127 4XZ 0.00000 0.00130 128 4YZ 0.00000 0.00000 0.00091 129 13 C 1S 0.00000 0.00000 0.00000 2.05092 130 2S 0.00000 0.00000 0.00000 -0.01170 0.30682 131 2PX 0.00114 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00104 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03425 0.22725 135 3PX 0.00074 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00072 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 139 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 140 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 141 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 145 2S 0.00000 0.00000 0.00001 -0.00019 0.00510 146 2PX 0.00000 0.00000 0.00000 -0.00012 0.00224 147 2PY 0.00000 0.00000 0.00003 -0.00024 0.00425 148 2PZ 0.00000 0.00000 0.00002 -0.00094 0.01883 149 3S 0.00001 0.00000 0.00005 -0.00008 0.00439 150 3PX 0.00002 -0.00002 0.00002 -0.00013 0.00143 151 3PY 0.00000 0.00000 0.00002 -0.00030 0.00328 152 3PZ 0.00001 -0.00001 0.00006 -0.00056 0.01093 153 4XX 0.00000 0.00000 0.00000 0.00000 -0.00025 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 155 4ZZ 0.00000 0.00000 0.00000 -0.00008 0.00172 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00008 157 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00027 158 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00072 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 161 2PX 0.00000 0.00000 0.00000 0.00000 -0.00005 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00015 164 3S -0.00001 0.00000 0.00001 0.00002 -0.00042 165 3PX 0.00000 0.00001 0.00000 0.00001 0.00002 166 3PY 0.00001 0.00001 0.00001 0.00000 -0.00003 167 3PZ -0.00001 -0.00002 0.00003 0.00012 -0.00177 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 177 2S 0.00001 -0.00001 0.00010 0.00000 0.00006 178 18 H 1S 0.00196 0.00104 0.00021 0.00000 -0.00011 179 2S 0.00042 0.00029 0.00003 0.00009 -0.00166 180 19 H 1S 0.00005 0.00000 0.00000 -0.00170 0.02785 181 2S 0.00028 -0.00001 0.00002 -0.00043 0.00951 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 183 2S 0.00000 0.00000 -0.00001 0.00016 -0.00247 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00008 186 22 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00013 187 2S 0.00021 0.00078 0.00021 0.00013 -0.00208 188 23 H 1S 0.00003 0.00000 0.00003 -0.00166 0.02734 189 2S 0.00017 -0.00003 0.00015 -0.00064 0.00994 131 132 133 134 135 131 2PX 0.41189 132 2PY 0.00000 0.38123 133 2PZ 0.00000 0.00000 0.38896 134 3S 0.00000 0.00000 0.00000 0.30211 135 3PX 0.10594 0.00000 0.00000 0.00000 0.08584 136 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00324 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00009 -0.00019 -0.00117 0.00013 -0.00008 145 2S 0.00176 0.00373 0.02396 0.00691 0.00179 146 2PX 0.00003 0.00070 0.00787 0.00562 0.00000 147 2PY 0.00094 -0.00061 0.01395 0.00985 0.00068 148 2PZ 0.00645 0.01262 0.04478 0.01742 0.00363 149 3S 0.00231 0.00319 0.02221 0.00013 0.00179 150 3PX 0.00002 0.00032 0.00378 0.00755 -0.00074 151 3PY 0.00013 -0.00170 0.00270 0.00650 -0.00003 152 3PZ 0.00150 0.00726 0.01199 -0.00032 0.00122 153 4XX 0.00003 -0.00003 -0.00056 -0.00076 -0.00020 154 4YY -0.00004 -0.00005 -0.00046 -0.00147 -0.00007 155 4ZZ 0.00057 0.00113 -0.00015 0.00324 0.00038 156 4XY 0.00002 0.00000 0.00023 0.00007 0.00002 157 4XZ 0.00055 0.00016 0.00036 0.00015 0.00045 158 4YZ 0.00018 0.00007 0.00127 0.00038 0.00004 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00007 0.00000 -0.00017 -0.00076 -0.00064 161 2PX 0.00000 0.00000 -0.00033 0.00005 0.00002 162 2PY 0.00000 0.00000 0.00000 0.00002 -0.00002 163 2PZ -0.00022 0.00000 -0.00022 -0.00379 -0.00115 164 3S -0.00083 -0.00002 -0.00011 0.00249 -0.00096 165 3PX 0.00015 -0.00002 -0.00079 0.00384 0.00004 166 3PY -0.00008 0.00019 -0.00014 -0.00018 -0.00013 167 3PZ -0.00219 0.00001 0.00070 -0.00951 -0.00300 168 4XX 0.00000 0.00000 0.00001 0.00010 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00012 -0.00003 170 4ZZ 0.00002 0.00000 0.00006 0.00018 0.00015 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00000 0.00005 0.00008 0.00001 173 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 176 17 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 177 2S 0.00000 0.00029 0.00004 0.00130 0.00003 178 18 H 1S -0.00012 -0.00032 0.00000 -0.00121 -0.00112 179 2S -0.00196 -0.00464 -0.00003 -0.00089 -0.00407 180 19 H 1S 0.07932 0.01251 0.00677 0.03034 0.05113 181 2S 0.05032 0.00742 0.00406 -0.00476 0.04889 182 20 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 183 2S -0.00020 -0.00447 -0.00431 -0.01623 -0.00051 184 21 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 185 2S 0.00009 0.00001 0.00033 0.00142 0.00047 186 22 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 187 2S -0.00121 -0.00487 -0.00080 -0.00794 -0.00243 188 23 H 1S 0.04272 0.00964 0.04453 0.03402 0.02650 189 2S 0.02854 0.00579 0.02891 0.01331 0.02786 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00000 0.09075 138 4XX 0.00000 0.00000 0.00113 139 4YY 0.00000 0.00000 -0.00011 0.00121 140 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00024 -0.00127 0.00000 0.00000 -0.00007 145 2S 0.00227 0.01979 -0.00030 -0.00018 0.00165 146 2PX 0.00058 0.00423 0.00003 -0.00003 0.00057 147 2PY 0.00033 0.00825 -0.00008 -0.00006 0.00108 148 2PZ 0.00763 0.01547 -0.00039 -0.00029 0.00022 149 3S 0.00226 0.01205 -0.00097 -0.00038 0.00238 150 3PX 0.00009 0.00262 -0.00026 -0.00014 0.00065 151 3PY -0.00190 0.00066 0.00001 -0.00034 0.00048 152 3PZ 0.00564 0.00189 0.00003 -0.00005 -0.00049 153 4XX -0.00013 -0.00046 0.00002 0.00000 -0.00005 154 4YY -0.00036 -0.00094 -0.00001 0.00002 -0.00006 155 4ZZ 0.00082 0.00011 0.00000 -0.00008 0.00007 156 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 157 4XZ 0.00003 0.00003 0.00000 -0.00001 -0.00001 158 4YZ 0.00015 0.00018 -0.00003 0.00000 -0.00002 159 15 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 160 2S 0.00003 -0.00216 0.00000 0.00000 0.00000 161 2PX 0.00002 -0.00313 0.00000 0.00000 0.00004 162 2PY 0.00013 0.00004 0.00000 0.00000 0.00000 163 2PZ 0.00009 -0.00216 0.00002 0.00000 -0.00001 164 3S 0.00009 0.00151 0.00006 -0.00007 0.00005 165 3PX -0.00002 -0.00198 -0.00008 -0.00007 0.00033 166 3PY 0.00105 -0.00016 0.00001 0.00000 -0.00001 167 3PZ 0.00013 0.00127 0.00026 -0.00002 -0.00022 168 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00015 0.00000 0.00000 0.00000 170 4ZZ -0.00001 0.00050 0.00000 0.00000 0.00000 171 4XY -0.00003 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00018 0.00000 0.00000 0.00000 173 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 176 17 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 177 2S 0.00301 0.00018 0.00000 0.00000 0.00000 178 18 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 179 2S -0.00870 -0.00031 -0.00005 -0.00015 0.00020 180 19 H 1S 0.00785 0.00552 0.00438 -0.00079 -0.00093 181 2S 0.00644 0.00410 0.00431 -0.00102 -0.00230 182 20 H 1S -0.00098 -0.00282 0.00000 0.00004 -0.00001 183 2S -0.00528 -0.00971 -0.00003 0.00065 -0.00038 184 21 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 185 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 186 22 H 1S -0.00203 -0.00076 0.00000 0.00003 0.00000 187 2S -0.00760 -0.00159 0.00013 -0.00003 0.00003 188 23 H 1S 0.00708 0.02915 0.00063 -0.00087 0.00098 189 2S 0.00654 0.02842 0.00050 -0.00155 0.00172 141 142 143 144 145 141 4XY 0.00095 142 4XZ 0.00000 0.00130 143 4YZ 0.00000 0.00000 0.00091 144 14 C 1S 0.00000 -0.00002 -0.00005 2.05499 145 2S 0.00007 0.00038 0.00083 -0.01343 0.32633 146 2PX 0.00004 0.00047 0.00023 0.00000 0.00000 147 2PY 0.00000 0.00020 0.00005 0.00000 0.00000 148 2PZ 0.00021 0.00058 0.00129 0.00000 0.00000 149 3S 0.00004 0.00013 0.00035 -0.03646 0.23617 150 3PX 0.00006 0.00054 0.00005 0.00000 0.00000 151 3PY 0.00001 0.00001 0.00023 0.00000 0.00000 152 3PZ 0.00003 0.00015 0.00018 0.00000 0.00000 153 4XX 0.00000 0.00000 -0.00002 -0.00090 -0.00921 154 4YY 0.00000 -0.00001 0.00000 -0.00145 0.00112 155 4ZZ 0.00001 -0.00007 -0.00007 -0.00111 -0.00519 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00002 -0.00005 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00054 160 2S 0.00000 0.00001 0.00000 -0.00058 0.01133 161 2PX 0.00000 -0.00001 0.00000 -0.00143 0.02095 162 2PY 0.00000 0.00000 0.00000 -0.00062 0.00932 163 2PZ 0.00000 0.00008 0.00000 -0.00090 0.01263 164 3S 0.00000 0.00006 0.00000 0.00070 0.00573 165 3PX 0.00000 -0.00006 0.00000 -0.00061 0.01225 166 3PY -0.00002 0.00001 -0.00005 -0.00036 0.00248 167 3PZ 0.00000 0.00029 0.00000 0.00035 0.00195 168 4XX 0.00000 0.00000 0.00000 -0.00003 0.00051 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00046 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 172 4XZ 0.00000 0.00000 0.00000 -0.00009 0.00097 173 4YZ 0.00000 0.00000 0.00000 -0.00007 0.00068 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00013 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 178 18 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 179 2S 0.00028 -0.00001 0.00002 0.00000 0.00009 180 19 H 1S 0.00195 0.00105 0.00021 0.00000 -0.00015 181 2S 0.00042 0.00029 0.00003 0.00020 -0.00288 182 20 H 1S 0.00000 0.00000 0.00004 -0.00196 0.03098 183 2S 0.00001 -0.00001 0.00010 -0.00121 0.01237 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 185 2S 0.00000 -0.00001 0.00000 0.00026 -0.00341 186 22 H 1S 0.00003 0.00000 0.00003 0.00000 0.00000 187 2S 0.00017 -0.00003 0.00015 0.00000 0.00006 188 23 H 1S 0.00086 0.00338 0.00098 0.00000 -0.00019 189 2S 0.00021 0.00078 0.00021 0.00018 -0.00333 146 147 148 149 150 146 2PX 0.35438 147 2PY 0.00000 0.41150 148 2PZ 0.00000 0.00000 0.38398 149 3S 0.00000 0.00000 0.00000 0.30081 150 3PX 0.11186 0.00000 0.00000 0.00000 0.12483 151 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00132 -0.00067 -0.00092 -0.00055 -0.00102 160 2S 0.02023 0.00933 0.01359 0.01142 0.01278 161 2PX -0.00055 0.01821 0.03422 0.02148 0.00240 162 2PY 0.01787 -0.00038 0.00930 0.00588 0.00815 163 2PZ 0.03921 0.00743 0.00060 0.01306 0.02064 164 3S 0.00752 0.01234 0.00723 -0.01479 -0.00311 165 3PX 0.00364 0.00804 0.01439 0.01147 0.01819 166 3PY 0.01208 0.00133 0.00368 0.00030 0.01056 167 3PZ 0.01597 0.00064 0.00348 0.00067 0.01520 168 4XX -0.00076 0.00066 0.00099 0.00113 -0.00122 169 4YY -0.00034 -0.00027 -0.00033 -0.00076 0.00007 170 4ZZ 0.00041 0.00025 -0.00055 -0.00044 0.00087 171 4XY 0.00020 -0.00002 0.00121 0.00045 0.00000 172 4XZ 0.00031 0.00104 -0.00005 0.00026 -0.00001 173 4YZ 0.00123 -0.00001 0.00005 0.00036 0.00030 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 175 2S 0.00023 0.00019 0.00011 0.00169 0.00167 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00006 0.00000 0.00020 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 179 2S 0.00011 0.00015 0.00006 0.00041 0.00088 180 19 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00205 181 2S -0.00584 -0.00012 -0.00246 -0.01154 -0.01240 182 20 H 1S 0.00106 0.09693 0.00068 0.04241 0.00025 183 2S 0.00024 0.06457 0.00047 0.02339 -0.00063 184 21 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 185 2S -0.00577 0.00001 -0.00550 -0.01508 -0.01065 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00010 0.00023 0.00004 0.00006 188 23 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 189 2S -0.00013 -0.00013 -0.00665 -0.00381 -0.00091 151 152 153 154 155 151 3PY 0.05323 152 3PZ 0.00000 0.09657 153 4XX 0.00000 0.00000 0.00150 154 4YY 0.00000 0.00000 -0.00017 0.00186 155 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00058 -0.00032 -0.00004 0.00002 0.00000 160 2S 0.00673 0.00387 0.00058 -0.00045 -0.00019 161 2PX 0.00700 0.01530 -0.00099 -0.00024 0.00034 162 2PY -0.00072 0.00375 0.00080 -0.00025 0.00013 163 2PZ 0.00273 0.00258 0.00134 -0.00020 -0.00071 164 3S 0.00538 0.00231 0.00123 -0.00158 0.00062 165 3PX 0.00358 0.01267 -0.00161 -0.00023 0.00152 166 3PY 0.00090 -0.00004 0.00080 -0.00043 -0.00031 167 3PZ -0.00047 0.01138 0.00174 -0.00022 -0.00113 168 4XX 0.00038 0.00142 -0.00002 -0.00004 0.00005 169 4YY -0.00056 -0.00054 -0.00003 0.00004 -0.00005 170 4ZZ -0.00013 -0.00080 0.00002 -0.00006 0.00002 171 4XY 0.00002 0.00025 0.00000 0.00000 -0.00010 172 4XZ 0.00009 0.00002 0.00000 -0.00010 0.00001 173 4YZ 0.00001 0.00004 -0.00007 0.00000 -0.00002 174 16 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 175 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 176 17 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 177 2S -0.00016 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 179 2S -0.00026 -0.00010 0.00000 -0.00001 0.00001 180 19 H 1S 0.00010 0.00032 0.00003 0.00000 0.00001 181 2S -0.00013 0.00540 0.00057 -0.00014 -0.00023 182 20 H 1S 0.04297 0.00017 -0.00103 0.00754 -0.00119 183 2S 0.04179 -0.00011 -0.00176 0.00685 -0.00308 184 21 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 185 2S -0.00026 -0.00394 0.00015 -0.00035 0.00070 186 22 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 187 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 188 23 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 189 2S 0.00030 -0.01805 -0.00007 -0.00012 0.00070 156 157 158 159 160 156 4XY 0.00042 157 4XZ 0.00000 0.00069 158 4YZ 0.00000 0.00000 0.00065 159 15 C 1S -0.00008 -0.00012 -0.00006 2.05271 160 2S 0.00082 0.00116 0.00065 -0.01361 0.32494 161 2PX 0.00030 0.00034 0.00116 0.00000 0.00000 162 2PY -0.00003 0.00095 -0.00001 0.00000 0.00000 163 2PZ 0.00116 0.00003 0.00009 0.00000 0.00000 164 3S 0.00021 0.00039 0.00020 -0.02961 0.20118 165 3PX 0.00001 -0.00002 0.00018 0.00000 0.00000 166 3PY 0.00000 0.00016 -0.00002 0.00000 0.00000 167 3PZ 0.00013 0.00002 0.00003 0.00000 0.00000 168 4XX -0.00003 -0.00001 0.00000 -0.00113 -0.00672 169 4YY 0.00000 -0.00005 0.00000 -0.00134 -0.00218 170 4ZZ -0.00005 0.00001 -0.00002 -0.00127 -0.00380 171 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00003 0.00000 0.00000 0.00000 173 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00017 175 2S 0.00000 0.00000 0.00000 0.00019 -0.00265 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00013 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00008 0.00000 0.00000 0.00000 181 2S -0.00001 0.00030 -0.00002 0.00000 0.00015 182 20 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00019 183 2S 0.00002 0.00000 0.00001 0.00019 -0.00267 184 21 H 1S 0.00000 0.00005 0.00000 -0.00198 0.03084 185 2S -0.00002 0.00009 -0.00002 -0.00120 0.01191 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00001 0.00000 0.00001 188 23 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 -0.00003 0.00000 -0.00006 161 162 163 164 165 161 2PX 0.36898 162 2PY 0.00000 0.41333 163 2PZ 0.00000 0.00000 0.39025 164 3S 0.00000 0.00000 0.00000 0.25018 165 3PX 0.10337 0.00000 0.00000 0.00000 0.12006 166 3PY 0.00000 0.07887 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.09571 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00195 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 175 2S -0.00091 -0.00839 -0.00153 -0.01699 0.00059 176 17 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 177 2S 0.00003 0.00051 0.00001 0.00219 0.00017 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 179 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 181 2S -0.00001 0.00002 0.00041 0.00079 -0.00099 182 20 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00159 183 2S -0.00256 -0.00650 -0.00039 -0.01535 -0.00583 184 21 H 1S 0.02434 0.02413 0.04942 0.04348 0.00827 185 2S 0.01599 0.01561 0.03421 0.03825 0.00515 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 187 2S -0.00002 -0.00001 0.00010 0.00051 -0.00015 188 23 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 189 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 166 167 168 169 170 166 3PY 0.06239 167 3PZ 0.00000 0.09333 168 4XX 0.00000 0.00000 0.00092 169 4YY 0.00000 0.00000 -0.00008 0.00114 170 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00334 0.00018 0.00000 0.00002 0.00000 175 2S -0.01421 -0.00034 0.00011 -0.00017 0.00014 176 17 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 177 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 178 18 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 179 2S 0.00040 -0.00010 0.00000 0.00000 0.00000 180 19 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 181 2S 0.00047 0.00248 -0.00001 0.00000 -0.00001 182 20 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 183 2S -0.00202 -0.00017 -0.00026 0.00097 -0.00025 184 21 H 1S 0.01004 0.02189 -0.00039 -0.00082 0.00159 185 2S 0.00742 0.02133 0.00025 -0.00134 0.00254 186 22 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 187 2S -0.00030 0.00142 0.00000 0.00000 0.00000 188 23 H 1S -0.00002 -0.00097 0.00000 0.00000 0.00000 189 2S -0.00011 -0.00406 0.00002 0.00000 -0.00004 171 172 173 174 175 171 4XY 0.00095 172 4XZ 0.00000 0.00067 173 4YZ 0.00000 0.00000 0.00117 174 16 H 1S 0.00003 0.00000 0.00005 0.21693 175 2S 0.00012 0.00000 0.00026 0.11783 0.17165 176 17 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00104 177 2S -0.00001 0.00000 0.00000 -0.00105 -0.00590 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00019 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00000 183 2S 0.00009 -0.00008 0.00008 0.00000 -0.00014 184 21 H 1S 0.00114 0.00171 0.00226 -0.00001 -0.00093 185 2S 0.00027 0.00030 0.00053 -0.00093 -0.00553 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00001 0.00000 0.00000 176 177 178 179 180 176 17 H 1S 0.21713 177 2S 0.11577 0.16496 178 18 H 1S -0.00001 -0.00027 0.21593 179 2S -0.00039 -0.00001 0.11187 0.16630 180 19 H 1S 0.00000 0.00000 -0.00003 -0.00165 0.21593 181 2S 0.00000 -0.00015 -0.00165 -0.00907 0.11186 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 0.00000 0.00000 -0.00015 -0.00027 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00014 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 -0.00015 -0.00052 -0.00841 0.00000 187 2S -0.00017 -0.00034 -0.00818 -0.02547 0.00038 188 23 H 1S 0.00000 0.00000 0.00000 0.00041 -0.00052 189 2S 0.00000 -0.00011 0.00039 0.00361 -0.00817 181 182 183 184 185 181 2S 0.16626 182 20 H 1S -0.00039 0.21714 183 2S -0.00001 0.11577 0.16496 184 21 H 1S 0.00000 -0.00001 -0.00105 0.21693 185 2S -0.00019 -0.00104 -0.00589 0.11782 0.17163 186 22 H 1S 0.00041 0.00000 0.00000 0.00000 0.00000 187 2S 0.00361 0.00000 -0.00011 0.00000 0.00000 188 23 H 1S -0.00841 0.00000 -0.00015 0.00000 0.00000 189 2S -0.02545 -0.00017 -0.00034 0.00000 -0.00005 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.11394 0.15894 188 23 H 1S -0.00005 -0.00202 0.21529 189 2S -0.00202 -0.00836 0.11393 0.15892 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.70392 3 2PX 0.59315 4 2PY 0.75713 5 2PZ 0.65423 6 3S 0.49512 7 3PX 0.25387 8 3PY 0.17405 9 3PZ 0.26756 10 4XX -0.00742 11 4YY 0.00528 12 4ZZ -0.00003 13 4XY 0.01111 14 4XZ 0.01091 15 4YZ 0.01425 16 2 C 1S 1.99219 17 2S 0.70396 18 2PX 0.59320 19 2PY 0.75705 20 2PZ 0.65435 21 3S 0.49484 22 3PX 0.25387 23 3PY 0.17393 24 3PZ 0.26765 25 4XX -0.00743 26 4YY 0.00525 27 4ZZ -0.00002 28 4XY 0.01113 29 4XZ 0.01090 30 4YZ 0.01425 31 3 C 1S 1.99193 32 2S 0.70992 33 2PX 0.72996 34 2PY 0.53058 35 2PZ 0.72498 36 3S 0.45533 37 3PX 0.24759 38 3PY 0.09849 39 3PZ 0.23706 40 4XX 0.01406 41 4YY 0.00335 42 4ZZ 0.01373 43 4XY 0.01769 44 4XZ 0.00681 45 4YZ 0.01936 46 4 O 1S 1.99234 47 2S 0.89931 48 2PX 0.93691 49 2PY 0.96342 50 2PZ 1.01255 51 3S 1.00627 52 3PX 0.52120 53 3PY 0.55952 54 3PZ 0.56898 55 4XX 0.00129 56 4YY -0.00121 57 4ZZ -0.00485 58 4XY 0.00765 59 4XZ 0.00372 60 4YZ 0.00695 61 5 H 1S 0.52971 62 2S 0.30215 63 6 H 1S 0.52970 64 2S 0.30211 65 7 H 1S 0.54161 66 2S 0.31782 67 8 O 1S 1.99234 68 2S 0.89932 69 2PX 0.93698 70 2PY 0.96369 71 2PZ 1.01223 72 3S 1.00624 73 3PX 0.52120 74 3PY 0.55969 75 3PZ 0.56865 76 4XX 0.00128 77 4YY -0.00123 78 4ZZ -0.00483 79 4XY 0.00766 80 4XZ 0.00371 81 4YZ 0.00696 82 9 H 1S 0.54013 83 2S 0.30935 84 10 C 1S 1.99191 85 2S 0.70503 86 2PX 0.64890 87 2PY 0.74800 88 2PZ 0.68315 89 3S 0.50001 90 3PX 0.32207 91 3PY 0.20196 92 3PZ 0.30107 93 4XX -0.01177 94 4YY 0.00154 95 4ZZ -0.00526 96 4XY 0.00869 97 4XZ 0.00540 98 4YZ 0.00997 99 11 C 1S 1.99262 100 2S 0.70385 101 2PX 0.61232 102 2PY 0.72539 103 2PZ 0.68250 104 3S 0.59606 105 3PX 0.32780 106 3PY 0.24306 107 3PZ 0.25794 108 4XX -0.01516 109 4YY 0.01157 110 4ZZ -0.00535 111 4XY 0.00395 112 4XZ 0.00661 113 4YZ 0.00631 114 12 C 1S 1.99220 115 2S 0.68131 116 2PX 0.72497 117 2PY 0.68462 118 2PZ 0.69615 119 3S 0.58935 120 3PX 0.33284 121 3PY 0.27014 122 3PZ 0.28726 123 4XX 0.00504 124 4YY -0.00216 125 4ZZ -0.00062 126 4XY 0.00717 127 4XZ 0.00968 128 4YZ 0.00761 129 13 C 1S 1.99220 130 2S 0.68132 131 2PX 0.72501 132 2PY 0.68458 133 2PZ 0.69613 134 3S 0.58933 135 3PX 0.33283 136 3PY 0.27006 137 3PZ 0.28728 138 4XX 0.00505 139 4YY -0.00217 140 4ZZ -0.00062 141 4XY 0.00716 142 4XZ 0.00969 143 4YZ 0.00762 144 14 C 1S 1.99262 145 2S 0.70382 146 2PX 0.61237 147 2PY 0.72531 148 2PZ 0.68242 149 3S 0.59633 150 3PX 0.32758 151 3PY 0.24315 152 3PZ 0.25793 153 4XX -0.01514 154 4YY 0.01156 155 4ZZ -0.00535 156 4XY 0.00395 157 4XZ 0.00662 158 4YZ 0.00631 159 15 C 1S 1.99191 160 2S 0.70499 161 2PX 0.64897 162 2PY 0.74791 163 2PZ 0.68318 164 3S 0.50004 165 3PX 0.32191 166 3PY 0.20210 167 3PZ 0.30108 168 4XX -0.01176 169 4YY 0.00155 170 4ZZ -0.00529 171 4XY 0.00869 172 4XZ 0.00540 173 4YZ 0.00997 174 16 H 1S 0.53307 175 2S 0.35110 176 17 H 1S 0.53358 177 2S 0.34362 178 18 H 1S 0.53198 179 2S 0.32147 180 19 H 1S 0.53199 181 2S 0.32148 182 20 H 1S 0.53359 183 2S 0.34359 184 21 H 1S 0.53307 185 2S 0.35111 186 22 H 1S 0.52952 187 2S 0.32410 188 23 H 1S 0.52953 189 2S 0.32408 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.923847 0.490226 -0.058184 0.230575 0.381030 -0.042184 2 C 0.490226 4.923577 -0.058167 -0.039169 -0.042174 0.381023 3 C -0.058184 -0.058167 4.669037 0.255712 0.005646 0.005651 4 O 0.230575 -0.039169 0.255712 8.190681 -0.036740 0.002501 5 H 0.381030 -0.042174 0.005646 -0.036740 0.540794 -0.000191 6 H -0.042184 0.381023 0.005651 0.002501 -0.000191 0.540620 7 H 0.004880 0.004893 0.360635 -0.050925 -0.000394 -0.000393 8 O -0.039174 0.230710 0.255599 -0.042482 0.002500 -0.036727 9 H 0.003986 0.003978 0.366209 -0.035488 0.000082 0.000081 10 C -0.022806 -0.016784 -0.000126 0.000473 0.002103 -0.004212 11 C -0.006314 0.109524 0.000262 -0.000387 0.001042 -0.018576 12 C -0.014395 -0.004074 -0.000447 0.000317 0.000285 0.000456 13 C -0.004167 -0.014442 -0.000443 -0.004490 0.000466 0.000286 14 C 0.109795 -0.006332 0.000260 -0.010808 -0.018687 0.001040 15 C -0.017012 -0.022865 -0.000127 0.000583 -0.004218 0.002111 16 H -0.000073 0.000633 0.000000 0.000001 0.000020 0.000297 17 H 0.001095 -0.008884 -0.000038 -0.000011 -0.000033 -0.000376 18 H 0.000553 -0.010527 -0.000292 0.000124 -0.000050 0.000522 19 H -0.010483 0.000554 -0.000290 0.013060 0.000522 -0.000050 20 H -0.008922 0.001104 -0.000038 0.000524 -0.000384 -0.000034 21 H 0.000629 -0.000075 0.000000 -0.000014 0.000299 0.000020 22 H 0.000341 0.002061 -0.000014 -0.000028 0.000003 -0.000059 23 H 0.002067 0.000341 -0.000014 0.000029 -0.000059 0.000003 7 8 9 10 11 12 1 C 0.004880 -0.039174 0.003986 -0.022806 -0.006314 -0.014395 2 C 0.004893 0.230710 0.003978 -0.016784 0.109524 -0.004074 3 C 0.360635 0.255599 0.366209 -0.000126 0.000262 -0.000447 4 O -0.050925 -0.042482 -0.035488 0.000473 -0.000387 0.000317 5 H -0.000394 0.002500 0.000082 0.002103 0.001042 0.000285 6 H -0.000393 -0.036727 0.000081 -0.004212 -0.018576 0.000456 7 H 0.665469 -0.050922 -0.072757 -0.000061 0.000712 0.000525 8 O -0.050922 8.190457 -0.035477 0.000576 -0.010785 -0.004502 9 H -0.072757 -0.035477 0.618362 0.000006 -0.000074 0.000065 10 C -0.000061 0.000576 0.000006 4.905883 0.553605 -0.023534 11 C 0.000712 -0.010785 -0.000074 0.553605 4.999117 0.374518 12 C 0.000525 -0.004502 0.000065 -0.023534 0.374518 5.060539 13 C 0.000519 0.000324 0.000065 -0.031234 -0.033031 0.333673 14 C 0.000715 -0.000390 -0.000074 -0.043919 -0.022709 -0.033017 15 C -0.000062 0.000475 0.000006 0.509929 -0.043974 -0.031227 16 H 0.000000 -0.000014 0.000000 0.367122 -0.052125 0.005699 17 H 0.000009 0.000523 0.000000 -0.042415 0.361918 -0.051205 18 H -0.001805 0.013092 0.000259 0.003488 -0.033808 0.352734 19 H -0.001797 0.000123 0.000258 0.001072 0.001393 -0.027678 20 H 0.000009 -0.000011 0.000000 0.007381 0.000138 0.005215 21 H 0.000000 0.000001 0.000000 -0.051737 0.006076 -0.000155 22 H 0.000088 0.000029 -0.000002 -0.005854 -0.039442 0.375833 23 H 0.000088 -0.000028 -0.000002 0.001692 0.002377 -0.034051 13 14 15 16 17 18 1 C -0.004167 0.109795 -0.017012 -0.000073 0.001095 0.000553 2 C -0.014442 -0.006332 -0.022865 0.000633 -0.008884 -0.010527 3 C -0.000443 0.000260 -0.000127 0.000000 -0.000038 -0.000292 4 O -0.004490 -0.010808 0.000583 0.000001 -0.000011 0.000124 5 H 0.000466 -0.018687 -0.004218 0.000020 -0.000033 -0.000050 6 H 0.000286 0.001040 0.002111 0.000297 -0.000376 0.000522 7 H 0.000519 0.000715 -0.000062 0.000000 0.000009 -0.001805 8 O 0.000324 -0.000390 0.000475 -0.000014 0.000523 0.013092 9 H 0.000065 -0.000074 0.000006 0.000000 0.000000 0.000259 10 C -0.031234 -0.043919 0.509929 0.367122 -0.042415 0.003488 11 C -0.033031 -0.022709 -0.043974 -0.052125 0.361918 -0.033808 12 C 0.333673 -0.033017 -0.031227 0.005699 -0.051205 0.352734 13 C 5.060597 0.374441 -0.023505 -0.000156 0.005215 -0.027667 14 C 0.374441 4.999425 0.553225 0.006078 0.000136 0.001384 15 C -0.023505 0.553225 4.906604 -0.051765 0.007378 0.001075 16 H -0.000156 0.006078 -0.051765 0.624235 -0.007996 -0.000199 17 H 0.005215 0.000136 0.007378 -0.007996 0.613632 -0.000665 18 H -0.027667 0.001384 0.001075 -0.000199 -0.000665 0.605961 19 H 0.352763 -0.033814 0.003498 0.000017 -0.000156 -0.012409 20 H -0.051193 0.361909 -0.042418 -0.000145 -0.000004 -0.000156 21 H 0.005697 -0.052129 0.367140 -0.007408 -0.000145 0.000017 22 H -0.034071 0.002390 0.001684 -0.000050 -0.000656 -0.042584 23 H 0.375813 -0.039431 -0.005874 -0.000001 -0.000112 0.004407 19 20 21 22 23 1 C -0.010483 -0.008922 0.000629 0.000341 0.002067 2 C 0.000554 0.001104 -0.000075 0.002061 0.000341 3 C -0.000290 -0.000038 0.000000 -0.000014 -0.000014 4 O 0.013060 0.000524 -0.000014 -0.000028 0.000029 5 H 0.000522 -0.000384 0.000299 0.000003 -0.000059 6 H -0.000050 -0.000034 0.000020 -0.000059 0.000003 7 H -0.001797 0.000009 0.000000 0.000088 0.000088 8 O 0.000123 -0.000011 0.000001 0.000029 -0.000028 9 H 0.000258 0.000000 0.000000 -0.000002 -0.000002 10 C 0.001072 0.007381 -0.051737 -0.005854 0.001692 11 C 0.001393 0.000138 0.006076 -0.039442 0.002377 12 C -0.027678 0.005215 -0.000155 0.375833 -0.034051 13 C 0.352763 -0.051193 0.005697 -0.034071 0.375813 14 C -0.033814 0.361909 -0.052129 0.002390 -0.039431 15 C 0.003498 -0.042418 0.367140 0.001684 -0.005874 16 H 0.000017 -0.000145 -0.007408 -0.000050 -0.000001 17 H -0.000156 -0.000004 -0.000145 -0.000656 -0.000112 18 H -0.012409 -0.000156 0.000017 -0.042584 0.004407 19 H 0.605914 -0.000667 -0.000199 0.004403 -0.042557 20 H -0.000667 0.613637 -0.007993 -0.000112 -0.000657 21 H -0.000199 -0.007993 0.624206 -0.000001 -0.000050 22 H 0.004403 -0.000112 -0.000001 0.602114 -0.012448 23 H -0.042557 -0.000657 -0.000050 -0.012448 0.602082 Mulliken charges: 1 1 C 0.074690 2 C 0.074869 3 C 0.199169 4 O -0.474040 5 H 0.168138 6 H 0.168189 7 H 0.140574 8 O -0.473897 9 H 0.150517 10 C -0.110648 11 C -0.149456 12 C -0.285576 13 C -0.285461 14 C -0.149488 15 C -0.110664 16 H 0.115831 17 H 0.122791 18 H 0.146546 19 H 0.146522 20 H 0.122818 21 H 0.115820 22 H 0.146373 23 H 0.146384 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.242829 2 C 0.243057 3 C 0.490259 4 O -0.474040 8 O -0.473897 10 C 0.005182 11 C -0.026666 12 C 0.007344 13 C 0.007445 14 C -0.026670 15 C 0.005156 APT charges: 1 1 C 0.345391 2 C 0.346107 3 C 0.788504 4 O -0.678154 5 H 0.008086 6 H 0.008221 7 H -0.070699 8 O -0.678841 9 H -0.078410 10 C -0.098614 11 C 0.123141 12 C 0.068939 13 C 0.068950 14 C 0.123897 15 C -0.099773 16 H 0.001885 17 H -0.027102 18 H -0.021287 19 H -0.021303 20 H -0.027084 21 H 0.001937 22 H -0.041907 23 H -0.041884 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.353476 2 C 0.354328 3 C 0.639395 4 O -0.678154 8 O -0.678841 10 C -0.096729 11 C 0.096039 12 C 0.005746 13 C 0.005764 14 C 0.096813 15 C -0.097836 Electronic spatial extent (au): = 1462.9159 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2916 Y= -0.0010 Z= -0.2506 Tot= 0.3845 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0606 YY= -66.2577 ZZ= -61.0978 XY= 0.0030 XZ= -2.5911 YZ= -0.0041 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5886 YY= -1.7857 ZZ= 3.3742 XY= 0.0030 XZ= -2.5911 YZ= -0.0041 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3383 YYY= 0.0094 ZZZ= -4.5875 XYY= 4.5856 XXY= -0.0147 XXZ= 2.3230 XZZ= -4.2934 YZZ= -0.0052 YYZ= -4.6296 XYZ= 0.0105 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.4022 YYYY= -454.0227 ZZZZ= -400.8084 XXXY= 0.0348 XXXZ= -25.2341 YYYX= -0.0023 YYYZ= -0.0030 ZZZX= 1.4152 ZZZY= 0.0215 XXYY= -270.3174 XXZZ= -230.4646 YYZZ= -137.0174 XXYZ= -0.0215 YYXZ= -2.4747 ZZXY= -0.0057 N-N= 6.505283742371D+02 E-N=-2.466025358277D+03 KE= 4.958566855912D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176876 29.026248 2 O -19.176788 29.026255 3 O -10.292298 15.888379 4 O -10.238598 15.880971 5 O -10.238016 15.892083 6 O -10.186446 15.888531 7 O -10.186399 15.885983 8 O -10.180367 15.882765 9 O -10.180191 15.889177 10 O -10.169362 15.876100 11 O -10.168858 15.885777 12 O -1.107165 2.296515 13 O -1.013194 2.785725 14 O -0.829083 1.400526 15 O -0.765909 1.721694 16 O -0.733692 1.473748 17 O -0.728675 1.513930 18 O -0.643759 1.895224 19 O -0.614529 1.756574 20 O -0.603985 1.457173 21 O -0.584674 1.408520 22 O -0.532371 1.336108 23 O -0.511526 1.178854 24 O -0.494177 0.996014 25 O -0.470195 1.352498 26 O -0.446715 1.573899 27 O -0.443552 1.142303 28 O -0.441058 1.574393 29 O -0.405579 1.357449 30 O -0.397902 1.212971 31 O -0.389632 1.719247 32 O -0.384145 1.292245 33 O -0.373274 1.574719 34 O -0.355256 2.367284 35 O -0.348812 1.413605 36 O -0.328582 1.796789 37 O -0.319425 1.469968 38 O -0.317077 1.391315 39 O -0.286256 1.368491 40 O -0.198002 1.279589 41 O -0.185595 1.798704 42 V -0.006984 1.479556 43 V 0.010187 1.673677 44 V 0.083776 0.939935 45 V 0.112321 0.984358 46 V 0.119129 1.770355 47 V 0.122480 1.842197 48 V 0.123163 1.000637 49 V 0.135171 1.073493 50 V 0.144248 1.535404 51 V 0.145258 1.041250 52 V 0.163938 1.653291 53 V 0.171447 1.388498 54 V 0.177645 1.367707 55 V 0.192701 1.270982 56 V 0.197763 2.353144 57 V 0.203003 1.219662 58 V 0.228841 1.314961 59 V 0.236117 1.143496 60 V 0.242707 1.412177 61 V 0.249120 1.439821 62 V 0.304393 1.683465 63 V 0.313626 1.479590 64 V 0.326620 1.752148 65 V 0.370134 2.525747 66 V 0.432160 1.929597 67 V 0.473977 1.814285 68 V 0.477968 1.842628 69 V 0.491398 1.615929 70 V 0.508288 2.036152 71 V 0.523166 2.095756 72 V 0.546524 2.522258 73 V 0.547876 1.756282 74 V 0.548670 2.108277 75 V 0.568900 2.371422 76 V 0.579349 2.171820 77 V 0.607436 2.323769 78 V 0.613358 1.950969 79 V 0.618231 1.942519 80 V 0.636312 2.358939 81 V 0.663094 2.521650 82 V 0.678634 2.531992 83 V 0.712837 2.399551 84 V 0.722932 2.418552 85 V 0.740946 2.512553 86 V 0.751907 2.579647 87 V 0.775355 2.174130 88 V 0.795758 2.393658 89 V 0.798768 2.614784 90 V 0.810676 2.533431 91 V 0.828476 2.500820 92 V 0.842042 2.285574 93 V 0.854433 2.766093 94 V 0.864512 2.706369 95 V 0.880610 2.597157 96 V 0.884457 2.489987 97 V 0.885201 2.710005 98 V 0.887091 2.868268 99 V 0.898058 2.577310 100 V 0.913816 2.700636 101 V 0.937171 2.656061 102 V 0.940291 2.589334 103 V 0.951222 2.714878 104 V 1.007941 2.256273 105 V 1.014401 2.335780 106 V 1.022974 2.836228 107 V 1.027212 2.465467 108 V 1.092062 3.076148 109 V 1.099189 2.654790 110 V 1.114150 2.822937 111 V 1.149196 2.615993 112 V 1.151826 2.999902 113 V 1.189416 2.470835 114 V 1.204056 2.548065 115 V 1.251290 2.394811 116 V 1.264415 2.522655 117 V 1.367265 2.620232 118 V 1.370426 2.851714 119 V 1.398330 2.557530 120 V 1.427126 2.655613 121 V 1.432157 2.569742 122 V 1.438581 2.643517 123 V 1.475732 2.604507 124 V 1.492050 2.727399 125 V 1.526430 2.731791 126 V 1.585294 2.729152 127 V 1.639977 2.848190 128 V 1.661068 2.867774 129 V 1.720429 2.847767 130 V 1.723418 2.955960 131 V 1.758449 2.890024 132 V 1.770892 3.084061 133 V 1.794195 3.089677 134 V 1.860003 3.080329 135 V 1.877764 3.223116 136 V 1.885334 3.369045 137 V 1.908417 3.243831 138 V 1.935591 3.247677 139 V 1.958248 3.419666 140 V 1.976509 3.549561 141 V 1.978366 3.699915 142 V 1.981027 3.550908 143 V 2.000549 3.502639 144 V 2.019375 3.666153 145 V 2.041555 3.521432 146 V 2.088883 3.490907 147 V 2.120239 3.689720 148 V 2.140797 3.517706 149 V 2.160268 3.640894 150 V 2.230078 3.505884 151 V 2.254873 3.549582 152 V 2.262045 3.557658 153 V 2.279834 3.600126 154 V 2.291951 3.680090 155 V 2.309560 3.817509 156 V 2.318536 3.601928 157 V 2.371177 3.779119 158 V 2.401507 3.844960 159 V 2.434366 3.875153 160 V 2.448093 3.771404 161 V 2.451442 3.854186 162 V 2.484073 3.927506 163 V 2.522288 3.909422 164 V 2.545395 4.007159 165 V 2.598894 4.362564 166 V 2.627398 4.427836 167 V 2.645172 4.262160 168 V 2.675697 4.223217 169 V 2.692957 4.304570 170 V 2.694420 4.368996 171 V 2.736156 4.291628 172 V 2.765950 4.303109 173 V 2.803869 4.577578 174 V 2.866858 4.485898 175 V 2.879925 4.651863 176 V 2.944565 4.768112 177 V 3.105785 4.916606 178 V 3.131184 4.838721 179 V 4.006251 10.862558 180 V 4.105734 10.794544 181 V 4.127668 10.147715 182 V 4.252015 10.394815 183 V 4.268096 10.250029 184 V 4.362047 10.479282 185 V 4.370187 10.258825 186 V 4.448555 10.340479 187 V 4.489353 10.367765 188 V 4.649641 10.705338 189 V 4.874498 11.552494 Total kinetic energy from orbitals= 4.958566855912D+02 Exact polarizability: 121.191 0.012 96.577 -6.401 -0.005 86.091 Approx polarizability: 204.013 0.061 180.116 -8.215 0.013 127.239 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -528.8393 -6.5784 -0.0011 -0.0006 -0.0005 1.4915 Low frequencies --- 12.4892 98.4856 123.0084 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.6384378 5.1134932 9.0341402 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 -- -528.8393 98.4808 123.0047 Red. masses -- 6.9479 4.2689 2.4712 Frc consts -- 1.1449 0.0244 0.0220 IR Inten -- 0.4129 0.0098 10.0882 Atom AN X Y Z X Y Z X Y Z 1 6 0.28 0.10 0.20 0.05 -0.06 -0.06 0.00 0.00 0.02 2 6 0.28 -0.10 0.20 -0.05 -0.06 0.06 0.00 0.00 0.02 3 6 0.04 0.00 -0.01 0.00 0.18 0.00 -0.18 0.00 -0.15 4 8 0.03 -0.02 -0.03 0.03 0.08 -0.15 0.09 0.01 0.13 5 1 -0.23 -0.15 -0.19 0.07 -0.18 -0.15 -0.04 0.00 0.01 6 1 -0.23 0.15 -0.19 -0.07 -0.18 0.15 -0.04 0.00 0.01 7 1 0.04 0.00 -0.01 0.00 0.30 0.00 -0.67 0.00 -0.06 8 8 0.03 0.02 -0.03 -0.03 0.08 0.15 0.09 -0.01 0.13 9 1 0.04 0.00 -0.01 0.00 0.18 0.00 -0.11 0.00 -0.63 10 6 -0.01 0.06 -0.03 0.08 0.09 -0.02 0.02 0.00 -0.02 11 6 -0.33 0.08 -0.14 0.19 -0.06 -0.02 0.01 0.00 -0.03 12 6 0.00 0.00 0.02 0.07 -0.15 -0.02 -0.03 0.00 -0.04 13 6 0.00 0.00 0.02 -0.07 -0.15 0.02 -0.03 0.00 -0.04 14 6 -0.33 -0.08 -0.14 -0.19 -0.06 0.01 0.01 0.00 -0.03 15 6 -0.01 -0.06 -0.03 -0.08 0.09 0.02 0.02 0.00 -0.02 16 1 0.16 -0.01 0.14 0.14 0.17 -0.03 0.03 0.00 -0.01 17 1 -0.16 0.06 -0.05 0.31 -0.06 -0.07 0.02 0.00 -0.03 18 1 0.03 0.01 0.14 0.09 -0.24 -0.08 -0.04 0.01 -0.08 19 1 0.03 -0.01 0.14 -0.09 -0.24 0.08 -0.04 -0.01 -0.08 20 1 -0.16 -0.06 -0.05 -0.31 -0.06 0.07 0.01 0.00 -0.03 21 1 0.16 0.01 0.14 -0.14 0.17 0.03 0.03 0.00 -0.01 22 1 0.11 -0.02 -0.10 0.07 -0.10 0.01 -0.06 -0.01 -0.02 23 1 0.11 0.02 -0.11 -0.07 -0.10 -0.02 -0.05 0.01 -0.02 4 5 6 A A A Frequencies -- 135.1219 172.9868 199.9939 Red. masses -- 4.5130 4.0396 1.8500 Frc consts -- 0.0485 0.0712 0.0436 IR Inten -- 0.0263 0.4474 0.0462 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 0.07 0.09 -0.02 0.00 -0.09 -0.01 -0.02 0.00 2 6 -0.06 0.07 -0.09 -0.02 0.01 -0.09 0.01 -0.02 0.00 3 6 0.00 -0.02 0.00 0.19 0.00 0.15 0.00 0.00 0.00 4 8 0.08 0.02 0.18 0.12 0.00 0.09 -0.04 -0.01 -0.05 5 1 -0.09 0.09 0.06 -0.09 0.01 -0.10 0.00 -0.03 -0.01 6 1 0.09 0.09 -0.06 -0.09 -0.01 -0.10 0.00 -0.03 0.01 7 1 0.00 -0.21 0.00 0.30 0.00 0.13 0.00 0.05 0.00 8 8 -0.08 0.02 -0.18 0.12 0.00 0.09 0.04 -0.01 0.05 9 1 0.00 0.06 0.00 0.17 0.00 0.27 0.00 -0.05 0.00 10 6 0.08 -0.02 0.08 0.05 0.00 0.06 0.02 0.03 0.02 11 6 0.21 -0.07 0.16 -0.04 0.00 -0.06 0.00 0.02 -0.01 12 6 -0.03 0.01 0.05 -0.21 0.00 -0.11 -0.16 -0.01 -0.05 13 6 0.03 0.01 -0.05 -0.21 0.00 -0.11 0.16 -0.01 0.05 14 6 -0.21 -0.07 -0.16 -0.04 0.00 -0.06 0.00 0.02 0.01 15 6 -0.08 -0.02 -0.08 0.05 0.00 0.06 -0.02 0.03 -0.02 16 1 0.16 -0.05 0.15 0.15 0.00 0.13 0.06 0.02 0.06 17 1 0.29 -0.08 0.22 -0.04 0.00 -0.07 0.03 0.01 -0.02 18 1 -0.10 0.05 -0.13 -0.24 -0.02 -0.23 -0.31 0.16 -0.31 19 1 0.10 0.05 0.13 -0.24 0.02 -0.23 0.31 0.16 0.31 20 1 -0.28 -0.08 -0.22 -0.04 0.00 -0.07 -0.03 0.01 0.02 21 1 -0.16 -0.05 -0.15 0.15 0.00 0.13 -0.06 0.02 -0.06 22 1 -0.20 0.04 0.23 -0.30 0.01 -0.02 -0.42 -0.21 0.10 23 1 0.20 0.04 -0.23 -0.30 -0.01 -0.02 0.42 -0.21 -0.10 7 8 9 A A A Frequencies -- 244.2493 278.3636 369.6384 Red. masses -- 6.9585 4.5425 3.0233 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3916 0.2561 0.6289 Atom AN X Y Z X Y Z X Y Z 1 6 0.12 -0.25 0.00 0.05 -0.01 -0.12 0.12 0.00 0.16 2 6 -0.12 -0.25 0.00 0.05 0.01 -0.12 0.12 0.00 0.16 3 6 0.00 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 0.01 4 8 0.31 -0.06 0.10 0.17 0.01 0.01 -0.03 -0.01 -0.03 5 1 0.22 -0.31 -0.01 0.08 0.03 -0.07 0.18 -0.01 0.17 6 1 -0.22 -0.31 0.01 0.08 -0.03 -0.07 0.18 0.01 0.17 7 1 0.00 -0.08 0.00 0.04 0.00 -0.04 0.05 0.00 0.00 8 8 -0.31 -0.06 -0.10 0.17 -0.01 0.01 -0.03 0.01 -0.03 9 1 0.00 0.35 0.00 0.14 0.00 -0.13 -0.01 0.00 0.07 10 6 -0.02 0.12 -0.03 -0.25 0.00 -0.08 -0.04 0.00 -0.12 11 6 -0.06 0.10 -0.08 -0.05 -0.01 0.10 0.12 -0.01 0.04 12 6 -0.04 0.08 -0.05 0.00 0.00 0.11 -0.13 0.00 -0.04 13 6 0.04 0.08 0.05 0.00 0.00 0.11 -0.13 0.00 -0.04 14 6 0.06 0.10 0.08 -0.05 0.01 0.10 0.12 0.01 0.04 15 6 0.02 0.12 0.04 -0.25 0.00 -0.08 -0.04 0.00 -0.12 16 1 -0.02 0.14 -0.05 -0.46 0.00 -0.23 -0.15 -0.02 -0.18 17 1 0.00 0.09 -0.06 -0.08 -0.01 0.12 0.20 -0.03 0.08 18 1 -0.05 0.10 -0.06 0.01 0.00 0.14 -0.19 -0.01 -0.28 19 1 0.05 0.10 0.06 0.01 0.00 0.14 -0.19 0.01 -0.28 20 1 0.00 0.09 0.06 -0.08 0.01 0.12 0.20 0.03 0.08 21 1 0.02 0.14 0.05 -0.46 0.00 -0.23 -0.15 0.02 -0.18 22 1 -0.05 0.01 -0.07 0.02 -0.01 0.09 -0.32 0.00 0.15 23 1 0.05 0.00 0.07 0.02 0.01 0.09 -0.32 0.00 0.15 10 11 12 A A A Frequencies -- 507.8365 539.4767 592.9189 Red. masses -- 4.7171 4.0278 3.8969 Frc consts -- 0.7168 0.6907 0.8072 IR Inten -- 6.5691 0.8392 0.0399 Atom AN X Y Z X Y Z X Y Z 1 6 -0.20 0.00 -0.17 0.00 0.00 -0.03 0.19 0.00 0.18 2 6 0.20 0.00 0.17 0.00 0.00 0.03 -0.20 0.00 -0.19 3 6 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 4 8 0.06 0.03 0.06 0.01 -0.01 0.01 -0.05 -0.03 -0.06 5 1 -0.13 0.03 -0.12 -0.10 -0.05 -0.11 0.23 0.04 0.22 6 1 0.13 0.03 0.12 0.10 -0.05 0.11 -0.24 0.04 -0.23 7 1 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.01 0.00 8 8 -0.06 0.03 -0.06 -0.01 -0.01 -0.01 0.05 -0.03 0.06 9 1 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 10 6 0.14 0.04 0.20 -0.21 0.14 0.00 0.04 0.07 0.16 11 6 -0.11 0.05 -0.02 -0.02 0.03 0.14 -0.10 0.04 0.01 12 6 -0.02 -0.11 0.05 -0.03 -0.15 0.16 -0.01 -0.06 0.05 13 6 0.02 -0.11 -0.05 0.03 -0.15 -0.16 0.01 -0.07 -0.04 14 6 0.11 0.05 0.02 0.02 0.03 -0.14 0.11 0.03 -0.01 15 6 -0.14 0.04 -0.20 0.21 0.14 0.00 -0.03 0.06 -0.17 16 1 0.31 -0.03 0.37 -0.45 0.05 -0.11 0.18 -0.05 0.33 17 1 0.03 0.03 -0.06 0.01 0.05 -0.10 0.05 0.03 -0.01 18 1 0.02 -0.10 0.17 -0.08 -0.09 0.12 0.05 -0.08 0.25 19 1 -0.02 -0.10 -0.17 0.08 -0.09 -0.12 -0.06 -0.08 -0.25 20 1 -0.03 0.03 0.06 -0.01 0.05 0.10 -0.05 0.01 0.02 21 1 -0.31 -0.03 -0.37 0.45 0.05 0.11 -0.18 -0.03 -0.34 22 1 0.10 -0.10 -0.06 -0.09 -0.09 0.25 0.16 -0.03 -0.11 23 1 -0.10 -0.10 0.06 0.09 -0.09 -0.25 -0.17 -0.03 0.12 13 14 15 A A A Frequencies -- 595.6460 707.3964 745.7537 Red. masses -- 5.4291 1.2350 5.6455 Frc consts -- 1.1349 0.3641 1.8499 IR Inten -- 0.8929 31.6091 1.8719 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 0.02 -0.08 -0.01 -0.02 0.03 -0.09 0.02 0.09 2 6 -0.04 -0.02 -0.07 -0.01 0.02 0.03 -0.09 -0.02 0.09 3 6 -0.01 0.00 0.01 0.02 0.00 -0.01 0.13 0.00 -0.13 4 8 -0.01 0.00 0.01 0.01 0.04 0.00 0.00 0.36 0.00 5 1 -0.21 0.00 -0.15 0.26 0.06 0.19 0.14 -0.22 -0.04 6 1 -0.19 0.00 -0.13 0.26 -0.06 0.19 0.14 0.22 -0.04 7 1 -0.02 0.00 0.01 0.03 0.00 -0.02 0.26 0.00 -0.18 8 8 -0.01 0.01 0.01 0.01 -0.04 0.00 0.00 -0.36 0.00 9 1 -0.01 0.00 0.01 0.02 0.00 -0.01 0.15 0.00 -0.10 10 6 0.14 0.03 -0.17 0.04 -0.02 0.04 -0.03 0.01 -0.04 11 6 0.02 0.31 0.02 -0.01 0.05 -0.01 -0.01 0.01 -0.01 12 6 -0.05 0.06 0.20 0.00 0.00 -0.02 -0.02 0.01 0.00 13 6 -0.05 -0.05 0.20 0.00 0.00 -0.02 -0.02 -0.01 0.00 14 6 0.01 -0.31 0.02 -0.02 -0.05 -0.01 -0.01 -0.01 -0.01 15 6 0.14 -0.03 -0.16 0.04 0.02 0.04 -0.03 -0.01 -0.04 16 1 0.02 -0.21 -0.09 -0.31 0.03 -0.24 0.27 -0.07 0.22 17 1 0.04 0.30 0.09 -0.39 0.11 -0.24 0.20 -0.02 0.13 18 1 -0.09 -0.04 -0.05 0.00 -0.02 -0.02 0.03 -0.04 0.07 19 1 -0.09 0.04 -0.03 0.00 0.02 -0.02 0.03 0.04 0.07 20 1 0.05 -0.30 0.09 -0.39 -0.11 -0.24 0.20 0.02 0.13 21 1 0.04 0.22 -0.06 -0.31 -0.03 -0.25 0.27 0.07 0.22 22 1 -0.15 -0.11 0.20 0.01 0.01 -0.02 0.05 0.04 -0.05 23 1 -0.13 0.11 0.19 0.01 -0.01 -0.02 0.05 -0.04 -0.05 16 17 18 A A A Frequencies -- 782.8962 811.9937 834.9234 Red. masses -- 1.2027 1.8123 1.4813 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7243 0.0034 19.2686 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.02 0.00 0.08 0.07 -0.02 0.08 0.06 -0.05 2 6 -0.01 0.02 0.00 -0.08 0.07 0.02 -0.08 0.06 0.05 3 6 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 -0.03 0.00 4 8 0.01 -0.03 0.00 0.04 -0.05 -0.03 0.00 -0.01 0.01 5 1 0.36 0.21 0.32 -0.18 -0.05 -0.21 -0.36 -0.21 -0.42 6 1 0.37 -0.21 0.32 0.17 -0.05 0.21 0.36 -0.21 0.42 7 1 -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 -0.06 0.00 8 8 0.01 0.03 0.00 -0.04 -0.05 0.03 0.00 -0.01 -0.01 9 1 0.00 0.00 -0.01 0.00 0.03 0.00 0.00 -0.08 0.00 10 6 -0.03 0.00 -0.03 0.10 -0.04 0.02 -0.06 0.01 0.00 11 6 -0.02 0.05 0.00 0.02 0.06 0.01 -0.02 -0.02 -0.01 12 6 -0.03 0.03 -0.02 0.03 -0.02 0.03 -0.02 0.01 -0.06 13 6 -0.03 -0.03 -0.02 -0.03 -0.02 -0.03 0.02 0.01 0.06 14 6 -0.02 -0.05 0.00 -0.02 0.07 -0.01 0.02 -0.02 0.01 15 6 -0.03 0.00 -0.03 -0.10 -0.04 -0.03 0.06 0.01 0.00 16 1 0.22 -0.09 0.21 -0.15 0.00 -0.18 0.14 -0.04 0.18 17 1 0.06 0.03 0.08 -0.47 0.14 -0.25 0.17 -0.05 0.10 18 1 0.07 -0.09 0.16 0.00 -0.04 -0.11 0.02 -0.01 0.05 19 1 0.07 0.09 0.16 0.00 -0.04 0.10 -0.03 -0.02 -0.06 20 1 0.06 -0.03 0.08 0.47 0.14 0.25 -0.17 -0.05 -0.11 21 1 0.22 0.09 0.21 0.15 0.00 0.17 -0.14 -0.05 -0.18 22 1 0.15 0.12 -0.15 -0.06 -0.03 0.11 0.07 -0.02 -0.15 23 1 0.15 -0.12 -0.15 0.06 -0.03 -0.11 -0.07 -0.01 0.15 19 20 21 A A A Frequencies -- 840.1717 855.6433 875.8232 Red. masses -- 2.2452 1.4315 3.2611 Frc consts -- 0.9338 0.6175 1.4738 IR Inten -- 0.0201 0.2020 20.3576 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.17 -0.08 2 6 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.17 0.08 3 6 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.12 0.00 4 8 0.00 0.01 0.00 0.00 0.00 0.00 0.13 -0.11 -0.11 5 1 0.04 0.04 0.03 0.18 0.12 0.16 0.35 0.38 0.20 6 1 0.04 -0.04 0.03 0.18 -0.12 0.16 -0.34 0.38 -0.19 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 8 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.13 -0.11 0.11 9 1 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.16 0.00 10 6 -0.05 0.01 0.05 -0.01 -0.01 -0.04 -0.04 0.02 -0.03 11 6 -0.03 0.08 0.05 -0.02 -0.05 -0.05 0.00 -0.04 -0.01 12 6 0.11 0.14 -0.10 0.05 -0.06 0.08 -0.02 0.01 0.01 13 6 0.11 -0.14 -0.10 0.04 0.06 0.08 0.02 0.01 -0.01 14 6 -0.03 -0.08 0.05 -0.02 0.05 -0.05 0.00 -0.04 0.01 15 6 -0.05 -0.01 0.05 -0.02 0.01 -0.04 0.04 0.02 0.03 16 1 -0.03 -0.02 0.09 0.26 0.01 0.14 0.14 0.01 0.10 17 1 -0.01 0.07 0.24 -0.14 -0.03 -0.18 0.21 -0.07 0.09 18 1 -0.08 0.41 -0.35 -0.13 0.18 -0.17 -0.01 0.04 0.05 19 1 -0.08 -0.41 -0.35 -0.13 -0.17 -0.17 0.01 0.03 -0.06 20 1 -0.01 -0.07 0.24 -0.14 0.03 -0.18 -0.21 -0.07 -0.09 21 1 -0.03 0.02 0.09 0.26 -0.01 0.15 -0.13 0.01 -0.09 22 1 -0.21 -0.15 0.06 -0.22 -0.31 0.21 0.00 0.03 0.00 23 1 -0.21 0.15 0.06 -0.22 0.31 0.21 -0.01 0.03 0.00 22 23 24 A A A Frequencies -- 924.8055 948.6903 961.8719 Red. masses -- 2.2213 3.1667 1.2952 Frc consts -- 1.1193 1.6792 0.7060 IR Inten -- 0.6117 48.4101 1.6082 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.00 0.01 -0.04 0.01 0.03 0.00 0.03 -0.03 2 6 0.03 0.00 -0.01 0.04 0.01 -0.03 0.00 -0.03 -0.03 3 6 0.00 0.06 0.00 0.00 0.32 0.00 -0.01 0.00 0.01 4 8 0.01 -0.04 -0.01 -0.03 -0.16 0.03 -0.01 0.02 0.01 5 1 0.01 0.10 0.11 -0.39 0.20 0.06 0.13 0.20 0.15 6 1 -0.01 0.10 -0.11 0.39 0.19 -0.06 0.12 -0.20 0.15 7 1 0.00 0.05 0.00 0.00 0.19 0.00 -0.02 0.00 0.01 8 8 -0.01 -0.04 0.01 0.03 -0.16 -0.03 -0.01 -0.02 0.01 9 1 0.00 0.12 0.00 0.00 0.47 0.00 0.00 0.00 0.00 10 6 -0.04 -0.04 0.04 -0.02 0.01 -0.04 0.03 0.02 0.04 11 6 0.01 0.12 0.09 0.00 -0.03 -0.02 -0.05 0.01 -0.06 12 6 0.05 -0.04 -0.14 -0.01 0.01 0.04 0.00 -0.04 0.02 13 6 -0.05 -0.04 0.14 0.01 0.01 -0.04 0.00 0.04 0.02 14 6 -0.02 0.12 -0.09 0.00 -0.03 0.02 -0.05 0.00 -0.06 15 6 0.04 -0.04 -0.04 0.02 0.01 0.04 0.03 -0.03 0.05 16 1 -0.22 -0.24 0.07 0.22 0.03 0.11 -0.23 0.09 -0.19 17 1 0.05 0.11 0.25 -0.05 -0.02 -0.08 0.49 -0.07 0.16 18 1 0.09 -0.24 -0.28 -0.02 0.06 0.06 -0.03 0.01 -0.01 19 1 -0.09 -0.24 0.28 0.02 0.06 -0.06 -0.03 -0.02 0.00 20 1 -0.05 0.11 -0.26 0.06 -0.02 0.08 0.50 0.07 0.15 21 1 0.22 -0.24 -0.07 -0.22 0.03 -0.11 -0.26 -0.10 -0.21 22 1 0.05 -0.20 -0.21 0.00 0.05 0.05 -0.02 -0.15 -0.01 23 1 -0.05 -0.20 0.21 0.00 0.05 -0.05 -0.01 0.15 -0.02 25 26 27 A A A Frequencies -- 962.4936 1007.0608 1012.0985 Red. masses -- 1.7847 5.4119 1.7601 Frc consts -- 0.9741 3.2338 1.0623 IR Inten -- 12.9511 19.6471 7.3903 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.02 0.01 -0.21 -0.06 0.19 -0.02 -0.02 -0.01 2 6 -0.01 -0.01 -0.01 -0.21 0.06 0.18 0.02 -0.02 0.01 3 6 0.00 -0.03 0.00 0.27 0.00 -0.27 0.00 -0.02 0.00 4 8 0.00 0.02 0.00 0.05 -0.16 -0.02 0.01 0.01 0.00 5 1 0.07 -0.05 0.00 -0.15 -0.24 0.08 0.08 0.01 0.05 6 1 -0.08 -0.03 -0.02 -0.15 0.24 0.08 -0.08 0.01 -0.05 7 1 0.00 -0.03 0.00 0.26 0.00 -0.27 0.00 0.00 0.00 8 8 0.00 0.03 0.00 0.05 0.17 -0.02 -0.01 0.01 0.00 9 1 0.00 -0.06 0.00 0.27 0.00 -0.26 0.00 -0.02 0.00 10 6 -0.03 -0.04 -0.12 0.00 0.00 0.03 -0.08 0.06 0.05 11 6 0.01 0.10 0.02 -0.02 0.03 -0.04 0.05 -0.09 0.04 12 6 0.02 -0.04 0.06 0.01 -0.02 0.01 0.02 0.03 -0.08 13 6 -0.02 -0.04 -0.06 0.01 0.02 0.00 -0.02 0.03 0.08 14 6 -0.01 0.10 -0.01 -0.02 -0.03 -0.04 -0.05 -0.09 -0.04 15 6 0.03 -0.04 0.12 0.00 -0.01 0.03 0.08 0.06 -0.05 16 1 0.53 -0.14 0.34 -0.09 0.01 -0.04 0.15 -0.02 0.27 17 1 -0.16 0.12 0.00 0.24 0.00 0.03 -0.48 0.00 -0.33 18 1 -0.02 -0.06 -0.09 -0.02 0.04 0.00 0.04 0.01 -0.05 19 1 0.02 -0.06 0.09 -0.02 -0.04 0.00 -0.04 0.01 0.05 20 1 0.11 0.11 -0.01 0.23 0.01 0.02 0.49 0.00 0.33 21 1 -0.50 -0.13 -0.32 -0.08 -0.01 -0.03 -0.15 -0.03 -0.27 22 1 -0.06 -0.07 0.12 -0.04 -0.12 0.00 0.01 0.05 -0.06 23 1 0.06 -0.08 -0.12 -0.04 0.12 0.00 -0.01 0.05 0.06 28 29 30 A A A Frequencies -- 1022.2394 1053.6267 1071.1429 Red. masses -- 2.7682 1.9942 2.0401 Frc consts -- 1.7044 1.3043 1.3791 IR Inten -- 5.1866 5.9497 96.9945 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.02 0.00 0.03 0.01 -0.03 -0.04 -0.11 0.03 2 6 0.01 0.02 0.00 -0.03 0.01 0.03 -0.04 0.11 0.03 3 6 -0.03 0.00 0.03 0.00 0.02 0.00 -0.12 0.00 0.13 4 8 0.01 0.00 -0.01 -0.02 -0.01 0.01 0.08 0.00 -0.06 5 1 -0.01 -0.13 -0.09 0.06 0.00 -0.03 0.29 -0.50 -0.17 6 1 -0.01 0.13 -0.08 -0.06 0.00 0.03 0.29 0.50 -0.16 7 1 -0.01 0.00 0.02 0.00 -0.05 0.00 -0.09 0.00 0.11 8 8 0.01 0.00 -0.01 0.02 -0.01 -0.01 0.07 0.00 -0.06 9 1 -0.03 0.00 0.03 0.00 -0.02 0.00 -0.12 0.00 0.11 10 6 -0.11 0.11 0.07 -0.03 0.02 0.06 0.01 -0.03 0.00 11 6 0.05 0.14 0.02 -0.07 -0.04 -0.05 -0.03 0.00 -0.04 12 6 0.03 -0.15 -0.06 0.17 0.01 0.01 -0.01 0.01 0.02 13 6 0.03 0.15 -0.06 -0.17 0.01 -0.01 -0.01 -0.01 0.02 14 6 0.05 -0.13 0.02 0.07 -0.04 0.05 -0.03 0.00 -0.04 15 6 -0.11 -0.11 0.07 0.03 0.02 -0.06 0.01 0.03 0.00 16 1 0.03 0.07 0.21 0.00 0.01 0.08 -0.05 -0.08 -0.01 17 1 0.15 0.17 -0.33 0.13 -0.07 0.06 0.14 -0.03 0.08 18 1 0.05 -0.32 -0.23 -0.02 0.13 -0.44 -0.03 0.10 0.06 19 1 0.05 0.32 -0.23 0.02 0.13 0.44 -0.03 -0.10 0.06 20 1 0.15 -0.16 -0.33 -0.13 -0.07 -0.06 0.14 0.03 0.08 21 1 0.03 -0.07 0.21 0.00 0.01 -0.08 -0.05 0.08 -0.01 22 1 0.04 -0.17 -0.06 -0.25 -0.05 0.38 0.00 -0.12 -0.05 23 1 0.03 0.17 -0.06 0.25 -0.05 -0.38 0.00 0.12 -0.05 31 32 33 A A A Frequencies -- 1095.3092 1111.4540 1158.1740 Red. masses -- 3.1547 1.7231 1.4830 Frc consts -- 2.2299 1.2541 1.1720 IR Inten -- 0.6404 0.6259 6.9878 Atom AN X Y Z X Y Z X Y Z 1 6 -0.13 0.00 0.21 -0.01 -0.01 0.00 0.02 -0.01 -0.01 2 6 0.13 0.00 -0.21 -0.01 0.01 0.00 0.02 0.01 -0.01 3 6 0.00 -0.12 0.00 -0.01 0.00 0.01 -0.12 0.00 -0.14 4 8 0.10 0.04 -0.10 0.01 0.00 0.00 0.02 -0.01 0.05 5 1 -0.59 -0.11 -0.04 0.03 -0.03 0.00 0.02 -0.01 -0.01 6 1 0.58 -0.12 0.04 0.03 0.03 0.00 0.02 0.01 -0.01 7 1 0.00 0.19 0.00 -0.01 0.00 0.01 0.61 0.00 -0.29 8 8 -0.10 0.04 0.10 0.01 0.00 0.00 0.02 0.01 0.05 9 1 0.00 0.16 0.00 -0.01 0.00 0.01 -0.27 0.00 0.65 10 6 -0.02 0.01 0.01 -0.04 0.10 0.03 0.00 0.00 0.00 11 6 -0.02 -0.01 -0.02 0.04 0.01 -0.06 0.00 0.00 0.00 12 6 0.04 0.00 0.01 -0.02 0.11 0.05 0.00 0.00 0.00 13 6 -0.04 0.00 -0.01 -0.02 -0.11 0.05 0.00 0.00 0.00 14 6 0.02 -0.01 0.02 0.04 0.00 -0.06 0.00 0.00 0.00 15 6 0.02 0.01 -0.01 -0.04 -0.10 0.03 0.00 0.00 0.00 16 1 0.01 0.01 0.02 0.13 0.47 -0.10 -0.01 -0.02 0.01 17 1 0.04 -0.03 0.01 0.10 0.03 -0.31 0.02 0.00 -0.02 18 1 -0.01 0.04 -0.09 -0.01 0.16 0.12 -0.01 0.03 0.02 19 1 0.01 0.05 0.09 -0.01 -0.16 0.12 -0.01 -0.03 0.02 20 1 -0.04 -0.03 -0.02 0.10 -0.03 -0.31 0.02 0.00 -0.02 21 1 -0.01 0.01 -0.02 0.13 -0.47 -0.10 -0.01 0.02 0.01 22 1 -0.05 -0.01 0.08 -0.03 0.24 0.12 0.01 -0.03 -0.02 23 1 0.05 -0.01 -0.08 -0.03 -0.24 0.11 0.01 0.03 -0.02 34 35 36 A A A Frequencies -- 1184.5321 1184.7902 1206.2027 Red. masses -- 1.1420 1.1711 1.8406 Frc consts -- 0.9441 0.9686 1.5778 IR Inten -- 45.1970 1.7974 208.3211 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.01 0.01 0.00 0.00 0.00 -0.06 0.05 0.05 2 6 -0.03 -0.01 0.01 -0.01 0.00 0.00 -0.06 -0.05 0.05 3 6 -0.04 0.00 0.01 -0.01 0.00 0.00 -0.09 0.00 0.06 4 8 0.03 0.00 -0.02 0.01 0.00 0.00 0.10 0.02 -0.08 5 1 0.00 0.03 0.05 0.00 0.00 0.00 -0.31 0.31 0.18 6 1 0.00 -0.03 0.04 0.00 -0.01 0.01 -0.31 -0.31 0.18 7 1 0.05 0.00 -0.01 0.01 -0.02 0.00 0.03 0.00 0.03 8 8 0.03 0.00 -0.02 0.01 0.00 0.00 0.10 -0.02 -0.08 9 1 -0.04 0.00 0.06 -0.01 0.02 0.01 -0.09 0.00 0.09 10 6 0.01 0.01 -0.01 0.02 0.04 -0.02 0.00 -0.01 0.00 11 6 -0.01 0.00 0.00 -0.05 -0.04 0.05 -0.01 -0.01 0.00 12 6 0.01 -0.01 0.00 0.01 -0.02 -0.01 0.02 0.00 -0.01 13 6 0.01 0.02 0.00 0.00 -0.01 0.01 0.02 0.00 -0.01 14 6 -0.03 0.01 0.02 0.04 -0.03 -0.05 -0.01 0.01 0.00 15 6 0.02 -0.02 -0.02 -0.02 0.03 0.01 0.00 0.01 0.00 16 1 0.14 0.30 -0.12 0.19 0.43 -0.17 -0.10 -0.23 0.09 17 1 -0.12 -0.01 0.27 -0.33 -0.05 0.52 0.10 0.00 -0.18 18 1 0.06 -0.27 -0.18 0.02 -0.11 -0.08 0.02 -0.01 -0.02 19 1 0.06 0.29 -0.19 0.00 0.00 0.00 0.02 0.01 -0.02 20 1 -0.24 0.03 0.45 0.25 -0.04 -0.38 0.10 0.00 -0.18 21 1 0.20 -0.44 -0.18 -0.13 0.28 0.11 -0.10 0.23 0.09 22 1 -0.02 0.04 0.06 0.00 -0.09 -0.03 -0.07 0.27 0.20 23 1 -0.01 -0.01 0.04 -0.01 -0.11 0.05 -0.07 -0.27 0.20 37 38 39 A A A Frequencies -- 1208.0814 1236.3033 1298.8917 Red. masses -- 1.0527 1.1805 1.0918 Frc consts -- 0.9052 1.0631 1.0853 IR Inten -- 0.0165 22.2901 3.1952 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.01 2 6 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.01 -0.01 0.01 3 6 0.00 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 0.00 4 8 0.02 -0.01 0.02 -0.03 -0.01 0.03 0.00 0.00 0.00 5 1 -0.02 0.03 0.02 0.21 -0.15 -0.07 -0.03 0.05 0.02 6 1 0.02 0.03 -0.02 0.21 0.15 -0.07 0.03 0.05 -0.02 7 1 0.00 0.70 0.00 0.02 0.00 -0.02 0.00 -0.03 0.00 8 8 -0.02 -0.01 -0.02 -0.03 0.01 0.03 0.00 0.00 0.00 9 1 0.00 -0.71 0.00 0.02 0.00 -0.02 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 11 6 0.00 0.00 0.00 -0.04 -0.01 -0.02 0.02 0.00 0.01 12 6 0.00 0.00 0.00 0.04 0.00 0.00 0.05 0.01 0.02 13 6 0.00 0.00 0.00 0.04 0.00 0.00 -0.05 0.01 -0.02 14 6 0.00 0.00 0.00 -0.04 0.01 -0.02 -0.02 0.00 -0.01 15 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 16 1 0.00 0.01 0.00 -0.05 -0.14 0.05 -0.02 -0.02 0.00 17 1 -0.01 0.00 0.01 0.10 -0.02 -0.03 0.01 0.01 -0.04 18 1 0.00 0.01 0.00 0.06 -0.22 -0.21 -0.07 0.40 0.14 19 1 0.00 0.01 0.00 0.06 0.22 -0.21 0.07 0.40 -0.14 20 1 0.01 0.00 -0.01 0.10 0.02 -0.03 -0.01 0.01 0.04 21 1 0.00 0.01 0.00 -0.05 0.14 0.05 0.02 -0.02 0.00 22 1 0.00 -0.01 0.00 -0.11 0.41 0.33 0.04 -0.51 -0.21 23 1 0.00 -0.01 0.00 -0.10 -0.41 0.33 -0.04 -0.51 0.21 40 41 42 A A A Frequencies -- 1307.2756 1318.7103 1371.3548 Red. masses -- 1.2655 1.9468 1.3132 Frc consts -- 1.2742 1.9947 1.4551 IR Inten -- 0.0002 6.0263 0.8593 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 -0.06 -0.05 -0.02 0.03 -0.01 0.00 0.00 0.00 2 6 -0.06 -0.06 0.05 -0.02 -0.03 -0.01 0.00 0.00 0.00 3 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 8 0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 5 1 -0.38 0.46 0.23 0.16 -0.08 -0.04 0.00 0.00 0.00 6 1 0.38 0.46 -0.23 0.16 0.08 -0.04 0.00 0.00 0.00 7 1 0.00 -0.28 0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 8 8 -0.01 0.03 0.03 0.00 0.01 0.00 0.00 0.00 0.00 9 1 0.00 -0.25 0.00 -0.01 0.00 0.03 0.00 -0.03 0.00 10 6 0.00 0.00 0.00 0.05 0.05 -0.05 -0.02 -0.04 0.02 11 6 0.00 0.00 0.00 -0.05 0.02 0.10 -0.02 -0.01 0.03 12 6 0.00 0.00 -0.01 0.01 -0.12 -0.08 -0.02 0.08 0.06 13 6 0.00 0.00 0.01 0.01 0.12 -0.08 0.02 0.08 -0.06 14 6 0.00 0.00 0.00 -0.05 -0.02 0.10 0.02 -0.01 -0.03 15 6 0.00 0.00 0.00 0.05 -0.05 -0.05 0.02 -0.04 -0.02 16 1 0.01 0.01 0.00 0.09 0.14 -0.09 0.11 0.24 -0.09 17 1 0.00 0.00 0.00 0.02 0.02 0.02 0.17 -0.01 -0.28 18 1 0.01 -0.04 -0.01 -0.09 0.42 0.34 0.06 -0.36 -0.27 19 1 -0.01 -0.04 0.01 -0.09 -0.42 0.34 -0.06 -0.36 0.27 20 1 0.00 0.00 0.00 0.02 -0.02 0.02 -0.17 -0.01 0.28 21 1 -0.01 0.01 0.00 0.09 -0.14 -0.09 -0.11 0.24 0.09 22 1 -0.01 0.05 0.03 -0.07 0.22 0.17 0.08 -0.24 -0.19 23 1 0.01 0.05 -0.03 -0.07 -0.23 0.18 -0.08 -0.24 0.18 43 44 45 A A A Frequencies -- 1403.4407 1453.8241 1464.5447 Red. masses -- 1.5892 2.5660 1.3329 Frc consts -- 1.8442 3.1955 1.6845 IR Inten -- 2.7750 81.0598 4.2246 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.07 0.21 0.01 0.04 -0.03 -0.03 2 6 0.00 0.00 0.00 -0.06 -0.21 0.01 -0.04 -0.03 0.03 3 6 0.00 0.01 0.00 -0.02 0.00 0.02 0.00 -0.12 0.00 4 8 0.00 0.00 0.00 0.02 -0.03 0.00 -0.04 0.02 0.03 5 1 -0.01 0.00 -0.01 0.39 -0.15 -0.17 -0.10 0.13 0.05 6 1 0.01 0.00 0.01 0.38 0.15 -0.17 0.10 0.14 -0.05 7 1 0.00 -0.04 0.00 0.02 -0.01 0.01 0.00 0.70 0.00 8 8 0.00 0.00 0.00 0.02 0.03 0.00 0.04 0.02 -0.03 9 1 0.00 -0.04 0.00 -0.02 -0.01 -0.01 0.00 0.64 0.00 10 6 0.01 0.06 0.00 0.03 0.06 -0.03 0.00 0.00 0.00 11 6 0.04 -0.04 -0.09 -0.02 -0.05 0.08 0.00 0.00 0.00 12 6 -0.03 0.05 0.09 -0.01 0.07 0.00 0.00 0.01 0.00 13 6 0.03 0.05 -0.09 -0.01 -0.07 0.00 0.00 0.01 0.00 14 6 -0.04 -0.04 0.09 -0.02 0.05 0.08 0.00 0.00 0.00 15 6 -0.01 0.06 0.00 0.04 -0.06 -0.03 0.00 0.00 0.00 16 1 -0.20 -0.39 0.16 -0.05 -0.07 0.00 0.00 -0.01 0.01 17 1 -0.21 -0.05 0.30 0.04 -0.03 -0.27 -0.01 0.00 0.00 18 1 0.01 -0.24 -0.16 0.07 -0.20 -0.11 0.02 -0.05 0.00 19 1 -0.01 -0.24 0.16 0.07 0.20 -0.11 -0.02 -0.05 0.00 20 1 0.21 -0.05 -0.30 0.04 0.03 -0.27 0.01 0.00 -0.01 21 1 0.20 -0.39 -0.16 -0.05 0.07 0.00 0.00 -0.01 -0.01 22 1 0.07 -0.16 -0.11 0.02 -0.24 -0.17 -0.02 -0.02 0.01 23 1 -0.07 -0.16 0.11 0.02 0.24 -0.17 0.02 -0.02 -0.01 46 47 48 A A A Frequencies -- 1482.8099 1521.1385 1540.2778 Red. masses -- 1.9115 1.1015 1.2955 Frc consts -- 2.4762 1.5017 1.8109 IR Inten -- 17.0376 1.3317 6.2129 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.07 0.00 0.00 0.00 0.00 -0.01 0.06 0.01 2 6 0.01 0.07 0.00 0.00 0.00 0.00 -0.01 -0.06 0.01 3 6 0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 4 8 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 5 1 -0.11 0.04 0.06 0.01 -0.01 0.00 0.06 -0.03 -0.05 6 1 -0.11 -0.04 0.06 -0.01 -0.01 0.00 0.06 0.03 -0.05 7 1 -0.01 0.00 0.00 0.00 -0.02 0.00 -0.09 0.00 0.02 8 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 9 1 0.00 0.00 0.01 0.00 -0.03 0.00 -0.01 0.00 0.08 10 6 0.02 -0.11 -0.03 0.02 0.01 -0.02 -0.02 -0.06 0.02 11 6 -0.09 0.00 0.12 -0.01 -0.01 0.01 0.02 0.02 -0.02 12 6 0.01 0.03 -0.01 0.01 0.04 -0.04 -0.01 -0.04 0.05 13 6 0.01 -0.03 -0.01 -0.01 0.04 0.04 -0.01 0.04 0.05 14 6 -0.09 0.00 0.12 0.01 -0.01 -0.01 0.02 -0.02 -0.02 15 6 0.02 0.11 -0.03 -0.02 0.01 0.02 -0.02 0.06 0.02 16 1 0.20 0.23 -0.18 -0.01 -0.06 0.01 0.03 0.05 -0.02 17 1 0.30 0.00 -0.41 0.02 -0.01 -0.02 0.00 0.02 0.03 18 1 0.01 -0.09 -0.17 0.23 -0.26 0.37 -0.23 0.26 -0.34 19 1 0.01 0.09 -0.17 -0.23 -0.26 -0.37 -0.23 -0.26 -0.34 20 1 0.30 0.00 -0.41 -0.02 -0.01 0.02 0.00 -0.02 0.03 21 1 0.20 -0.23 -0.18 0.02 -0.06 -0.01 0.03 -0.05 -0.02 22 1 0.06 -0.05 -0.10 -0.36 -0.25 0.21 0.35 0.26 -0.18 23 1 0.06 0.05 -0.10 0.36 -0.25 -0.21 0.35 -0.26 -0.18 49 50 51 A A A Frequencies -- 1559.5832 1583.0544 1601.7082 Red. masses -- 2.9915 1.0961 3.6476 Frc consts -- 4.2871 1.6184 5.5134 IR Inten -- 8.0818 7.1355 1.9659 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.13 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 2 6 0.00 0.13 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 3 6 0.01 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 0.00 4 8 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 5 1 -0.09 0.06 0.14 0.00 0.00 -0.01 0.02 0.00 0.01 6 1 -0.09 -0.06 0.14 0.00 0.00 -0.01 -0.02 0.00 -0.01 7 1 -0.03 0.00 0.00 0.70 0.00 -0.12 0.00 0.00 0.00 8 8 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.00 0.00 9 1 0.00 0.00 0.04 0.09 0.00 -0.68 0.00 0.00 0.00 10 6 0.07 0.22 -0.05 0.00 0.00 0.00 -0.16 -0.12 0.16 11 6 -0.05 -0.08 0.06 0.00 0.00 0.00 0.15 0.08 -0.17 12 6 -0.01 0.01 0.03 0.00 -0.01 0.00 -0.02 0.00 0.03 13 6 -0.01 -0.01 0.03 0.00 0.01 0.00 0.02 0.00 -0.03 14 6 -0.05 0.08 0.06 0.00 0.00 0.00 -0.14 0.08 0.17 15 6 0.07 -0.22 -0.05 0.00 0.00 0.00 0.15 -0.12 -0.16 16 1 -0.15 -0.21 0.10 0.00 0.00 0.00 0.09 0.45 -0.04 17 1 -0.06 -0.09 0.02 0.00 0.00 0.00 -0.14 0.10 0.25 18 1 -0.14 0.07 -0.37 -0.03 0.04 -0.03 0.04 -0.01 0.23 19 1 -0.14 -0.07 -0.37 -0.03 -0.04 -0.03 -0.04 -0.01 -0.23 20 1 -0.06 0.09 0.02 0.00 0.00 0.00 0.14 0.10 -0.25 21 1 -0.15 0.21 0.10 0.00 0.00 0.00 -0.09 0.44 0.04 22 1 0.28 0.08 -0.22 0.04 0.03 -0.03 -0.11 -0.06 0.09 23 1 0.28 -0.09 -0.22 0.04 -0.03 -0.03 0.11 -0.06 -0.09 52 53 54 A A A Frequencies -- 3017.4000 3020.9664 3036.3256 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6742 5.8095 IR Inten -- 20.5781 106.8724 72.4673 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 0.03 0.00 -0.06 0.00 0.00 0.00 4 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.19 0.00 0.82 -0.01 0.00 -0.05 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 -0.52 0.00 -0.12 0.01 0.00 0.00 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 -0.03 0.02 -0.04 0.00 0.00 0.00 0.02 -0.02 0.04 13 6 0.03 0.02 0.04 0.00 0.00 0.00 0.02 0.02 0.04 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 18 1 -0.12 -0.04 0.02 0.04 0.01 -0.01 0.19 0.07 -0.04 19 1 0.12 -0.04 -0.02 0.04 -0.01 -0.01 0.19 -0.07 -0.04 20 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.46 -0.22 0.47 -0.02 0.01 -0.01 -0.45 0.21 -0.45 23 1 -0.46 -0.22 -0.47 -0.02 -0.01 -0.02 -0.45 -0.21 -0.46 55 56 57 A A A Frequencies -- 3061.1683 3069.0862 3087.3644 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1579 6.0494 6.1417 IR Inten -- 86.3661 7.6604 35.9323 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 -0.08 0.00 -0.06 0.00 0.00 0.00 0.01 0.00 0.01 4 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.09 0.00 0.50 0.00 0.00 0.00 -0.02 0.00 -0.09 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.83 0.00 0.15 0.00 0.00 0.00 -0.05 0.00 -0.01 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 -0.01 0.00 0.00 -0.06 -0.02 0.01 -0.06 -0.02 0.00 13 6 0.00 0.00 0.00 0.06 -0.02 -0.01 -0.06 0.02 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 18 1 0.06 0.02 -0.02 0.63 0.25 -0.18 0.60 0.24 -0.18 19 1 0.06 -0.02 -0.02 -0.62 0.24 0.18 0.61 -0.24 -0.18 20 1 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.03 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.07 -0.04 0.09 0.12 -0.07 0.14 23 1 0.00 0.00 0.00 -0.06 -0.04 -0.08 0.12 0.07 0.14 58 59 60 A A A Frequencies -- 3153.4886 3159.2492 3171.8836 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3509 6.3937 6.4743 IR Inten -- 4.9215 5.7974 49.5579 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 6 -0.02 0.02 0.03 -0.01 0.01 0.02 -0.02 0.02 0.03 11 6 -0.01 -0.04 0.00 -0.01 -0.05 0.00 0.01 0.04 0.00 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.01 -0.04 0.00 -0.01 0.05 0.00 -0.01 0.04 0.00 15 6 0.02 0.02 -0.03 -0.01 -0.01 0.02 0.02 0.02 -0.03 16 1 0.25 -0.25 -0.35 0.15 -0.15 -0.22 0.25 -0.25 -0.36 17 1 0.05 0.50 0.05 0.07 0.63 0.06 -0.05 -0.49 -0.04 18 1 0.02 0.01 -0.01 0.03 0.01 -0.01 -0.01 0.00 0.01 19 1 -0.02 0.01 0.01 0.03 -0.01 -0.01 0.01 0.00 -0.01 20 1 -0.05 0.50 -0.04 0.07 -0.63 0.06 0.05 -0.48 0.04 21 1 -0.25 -0.25 0.35 0.15 0.15 -0.21 -0.25 -0.25 0.36 22 1 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 23 1 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 61 62 63 A A A Frequencies -- 3185.8082 3290.8985 3307.6547 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9545 7.0986 IR Inten -- 30.7704 0.0870 1.5882 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.02 0.04 -0.05 0.02 0.04 -0.04 2 6 0.00 0.00 0.00 -0.02 0.04 0.04 0.02 -0.04 -0.05 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 -0.18 -0.44 0.54 -0.17 -0.42 0.51 6 1 0.00 0.00 0.00 0.18 -0.42 -0.52 -0.18 0.44 0.54 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 10 6 -0.03 0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.32 -0.32 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 17 1 -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 18 1 -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 1 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 20 1 -0.03 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.32 0.32 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 8 and mass 15.99491 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 1 and mass 1.00783 Atom 8 has atomic number 8 and mass 15.99491 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 6 and mass 12.00000 Atom 11 has atomic number 6 and mass 12.00000 Atom 12 has atomic number 6 and mass 12.00000 Atom 13 has atomic number 6 and mass 12.00000 Atom 14 has atomic number 6 and mass 12.00000 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 1 and mass 1.00783 Atom 17 has atomic number 1 and mass 1.00783 Atom 18 has atomic number 1 and mass 1.00783 Atom 19 has atomic number 1 and mass 1.00783 Atom 20 has atomic number 1 and mass 1.00783 Atom 21 has atomic number 1 and mass 1.00783 Atom 22 has atomic number 1 and mass 1.00783 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 944.856151782.097141902.43605 X 0.99987 0.00000 -0.01598 Y -0.00001 1.00000 -0.00024 Z 0.01598 0.00024 0.99987 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.09167 0.04860 0.04553 Rotational constants (GHZ): 1.91007 1.01271 0.94865 1 imaginary frequencies ignored. Zero-point vibrational energy 509185.1 (Joules/Mol) 121.69816 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.69 176.98 194.41 248.89 287.75 (Kelvin) 351.42 400.50 531.83 730.66 776.19 853.08 857.00 1017.78 1072.97 1126.41 1168.28 1201.27 1208.82 1231.08 1260.11 1330.59 1364.95 1383.92 1384.81 1448.93 1456.18 1470.77 1515.93 1541.13 1575.90 1599.13 1666.35 1704.28 1704.65 1735.45 1738.16 1778.76 1868.81 1880.88 1897.33 1973.07 2019.24 2091.73 2107.15 2133.43 2188.58 2216.11 2243.89 2277.66 2304.50 4341.36 4346.49 4368.59 4404.33 4415.73 4442.02 4537.16 4545.45 4563.63 4583.66 4734.86 4758.97 Zero-point correction= 0.193938 (Hartree/Particle) Thermal correction to Energy= 0.203259 Thermal correction to Enthalpy= 0.204204 Thermal correction to Gibbs Free Energy= 0.159501 Sum of electronic and zero-point Energies= -500.294731 Sum of electronic and thermal Energies= -500.285409 Sum of electronic and thermal Enthalpies= -500.284465 Sum of electronic and thermal Free Energies= -500.329168 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.547 36.600 94.085 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 40.968 Rotational 0.889 2.981 29.550 Vibrational 125.770 30.638 23.567 Vibration 1 0.604 1.950 3.484 Vibration 2 0.610 1.930 3.053 Vibration 3 0.613 1.918 2.872 Vibration 4 0.626 1.876 2.403 Vibration 5 0.638 1.840 2.133 Vibration 6 0.660 1.772 1.772 Vibration 7 0.679 1.714 1.544 Vibration 8 0.742 1.535 1.081 Vibration 9 0.863 1.233 0.639 Vibration 10 0.895 1.163 0.566 Vibration 11 0.950 1.047 0.462 Vibration 12 0.953 1.041 0.457 Q Log10(Q) Ln(Q) Total Bot 0.431361D-73 -73.365159 -168.929521 Total V=0 0.692002D+16 15.840107 36.473195 Vib (Bot) 0.913297D-87 -87.039388 -200.415598 Vib (Bot) 1 0.208454D+01 0.319011 0.734551 Vib (Bot) 2 0.166021D+01 0.220163 0.506944 Vib (Bot) 3 0.150678D+01 0.178049 0.409974 Vib (Bot) 4 0.116383D+01 0.065891 0.151720 Vib (Bot) 5 0.997009D+00 -0.001301 -0.002995 Vib (Bot) 6 0.801224D+00 -0.096246 -0.221615 Vib (Bot) 7 0.691281D+00 -0.160345 -0.369209 Vib (Bot) 8 0.492654D+00 -0.307458 -0.707947 Vib (Bot) 9 0.321376D+00 -0.492986 -1.135143 Vib (Bot) 10 0.293828D+00 -0.531907 -1.224761 Vib (Bot) 11 0.253671D+00 -0.595730 -1.371718 Vib (Bot) 12 0.251807D+00 -0.598932 -1.379091 Vib (V=0) 0.146514D+03 2.165878 4.987118 Vib (V=0) 1 0.264367D+01 0.422207 0.972169 Vib (V=0) 2 0.223387D+01 0.349057 0.803734 Vib (V=0) 3 0.208757D+01 0.319641 0.736001 Vib (V=0) 4 0.176669D+01 0.247161 0.569109 Vib (V=0) 5 0.161536D+01 0.208269 0.479558 Vib (V=0) 6 0.144444D+01 0.159698 0.367719 Vib (V=0) 7 0.135315D+01 0.131347 0.302437 Vib (V=0) 8 0.120193D+01 0.079880 0.183930 Vib (V=0) 9 0.109438D+01 0.039166 0.090184 Vib (V=0) 10 0.107994D+01 0.033401 0.076909 Vib (V=0) 11 0.106067D+01 0.025580 0.058899 Vib (V=0) 12 0.105983D+01 0.025235 0.058106 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.640693D+06 5.806650 13.370306 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000051204 0.000000717 -0.000015806 2 6 0.000057219 -0.000008616 0.000016869 3 6 0.000000732 0.000003385 -0.000001088 4 8 0.000009792 0.000000678 0.000003930 5 1 0.000013971 0.000000504 0.000010121 6 1 -0.000013065 -0.000000190 -0.000011802 7 1 0.000004413 -0.000000088 0.000002778 8 8 -0.000013101 0.000002865 -0.000002819 9 1 -0.000000134 0.000003974 -0.000000420 10 6 0.000030313 0.000006149 -0.000006813 11 6 -0.000039861 -0.000008984 -0.000008660 12 6 0.000002295 0.000002392 0.000015931 13 6 -0.000001237 0.000003340 -0.000008012 14 6 0.000033062 -0.000009919 0.000009845 15 6 -0.000028107 0.000002633 0.000007748 16 1 0.000001070 0.000001159 0.000000894 17 1 0.000011151 -0.000001897 0.000005028 18 1 0.000002696 -0.000000338 -0.000008732 19 1 -0.000007008 0.000001753 -0.000001696 20 1 -0.000009417 -0.000001823 -0.000006823 21 1 -0.000001689 0.000000855 -0.000001721 22 1 -0.000001793 0.000001111 -0.000000774 23 1 -0.000000097 0.000000337 0.000002023 ------------------------------------------------------------------- Cartesian Forces: Max 0.000057219 RMS 0.000013807 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000018501 RMS 0.000003708 Search for a saddle point. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03190 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12444 0.12618 0.15482 0.16307 Eigenvalues --- 0.18372 0.18746 0.23373 0.24268 0.26918 Eigenvalues --- 0.27588 0.29673 0.30157 0.30787 0.32285 Eigenvalues --- 0.32447 0.32888 0.34622 0.35303 0.35333 Eigenvalues --- 0.35475 0.35567 0.36577 0.38193 0.38371 Eigenvalues --- 0.41331 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R4 R7 D5 D1 D11 1 0.56596 0.56478 -0.16962 0.16957 0.14505 D23 D6 D7 R1 D95 1 -0.14488 -0.11842 0.11835 -0.11436 -0.11061 Angle between quadratic step and forces= 67.60 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00035732 RMS(Int)= 0.00000018 Iteration 2 RMS(Cart)= 0.00000016 RMS(Int)= 0.00000011 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.62524 0.00000 0.00000 0.00001 0.00001 2.62525 R2 2.63243 -0.00001 0.00000 -0.00023 -0.00023 2.63221 R3 2.03580 0.00000 0.00000 -0.00005 -0.00005 2.03575 R4 4.37363 0.00000 0.00000 0.00220 0.00220 4.37584 R5 2.03569 0.00001 0.00000 0.00005 0.00005 2.03574 R6 2.63196 0.00001 0.00000 0.00024 0.00024 2.63220 R7 4.37807 -0.00001 0.00000 -0.00212 -0.00212 4.37596 R8 2.69172 0.00000 0.00000 0.00007 0.00007 2.69179 R9 2.07616 0.00000 0.00000 0.00002 0.00002 2.07618 R10 2.69188 0.00000 0.00000 -0.00008 -0.00008 2.69180 R11 2.07493 0.00000 0.00000 -0.00002 -0.00002 2.07491 R12 4.44268 0.00000 0.00000 -0.00152 -0.00152 4.44116 R13 4.44289 -0.00001 0.00000 -0.00174 -0.00174 4.44115 R14 2.62017 0.00002 0.00000 0.00013 0.00013 2.62029 R15 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R16 2.05660 0.00000 0.00000 -0.00001 -0.00001 2.05659 R17 2.86306 0.00001 0.00000 0.00010 0.00010 2.86316 R18 2.05804 0.00000 0.00000 0.00001 0.00001 2.05804 R19 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R20 2.07031 0.00000 0.00000 -0.00003 -0.00003 2.07028 R21 2.07662 0.00000 0.00000 -0.00002 -0.00002 2.07660 R22 2.86326 -0.00001 0.00000 -0.00009 -0.00009 2.86316 R23 2.07026 0.00000 0.00000 0.00002 0.00002 2.07029 R24 2.07658 0.00000 0.00000 0.00002 0.00002 2.07660 R25 2.62044 -0.00002 0.00000 -0.00014 -0.00014 2.62030 R26 2.05805 0.00000 0.00000 -0.00001 -0.00001 2.05804 R27 2.05657 0.00000 0.00000 0.00001 0.00001 2.05659 A1 1.90205 0.00001 0.00000 0.00022 0.00022 1.90228 A2 2.21815 0.00000 0.00000 0.00038 0.00038 2.21853 A3 1.86479 0.00000 0.00000 -0.00049 -0.00049 1.86430 A4 1.99429 0.00000 0.00000 0.00022 0.00022 1.99452 A5 1.86566 0.00000 0.00000 -0.00009 -0.00009 1.86557 A6 1.54487 0.00000 0.00000 -0.00073 -0.00072 1.54415 A7 2.21890 0.00000 0.00000 -0.00036 -0.00036 2.21854 A8 1.90253 -0.00001 0.00000 -0.00025 -0.00025 1.90228 A9 1.86380 0.00000 0.00000 0.00048 0.00048 1.86428 A10 1.99477 0.00000 0.00000 -0.00025 -0.00025 1.99452 A11 1.54340 0.00000 0.00000 0.00073 0.00073 1.54413 A12 1.86542 0.00000 0.00000 0.00016 0.00016 1.86558 A13 1.91796 0.00000 0.00000 -0.00007 -0.00007 1.91789 A14 1.87434 0.00000 0.00000 -0.00002 -0.00002 1.87432 A15 1.91621 0.00000 0.00000 -0.00006 -0.00006 1.91615 A16 1.91781 0.00000 0.00000 0.00007 0.00007 1.91788 A17 1.92090 0.00000 0.00000 0.00002 0.00002 1.92092 A18 1.91609 0.00000 0.00000 0.00006 0.00006 1.91615 A19 1.86552 0.00000 0.00000 -0.00008 -0.00008 1.86544 A20 1.82348 0.00000 0.00000 0.00050 0.00050 1.82398 A21 1.82371 0.00000 0.00000 0.00028 0.00028 1.82399 A22 1.05508 0.00000 0.00000 0.00045 0.00045 1.05553 A23 1.86543 0.00000 0.00000 0.00001 0.00001 1.86544 A24 2.06757 -0.00001 0.00000 -0.00016 -0.00016 2.06741 A25 2.09931 0.00001 0.00000 0.00007 0.00007 2.09938 A26 2.09051 0.00000 0.00000 0.00002 0.00002 2.09053 A27 1.72689 0.00000 0.00000 0.00043 0.00043 1.72733 A28 1.63532 0.00000 0.00000 0.00045 0.00045 1.63577 A29 1.73922 0.00000 0.00000 0.00002 0.00002 1.73924 A30 2.09900 0.00000 0.00000 -0.00021 -0.00021 2.09878 A31 2.08090 0.00000 0.00000 -0.00009 -0.00009 2.08082 A32 2.01654 0.00000 0.00000 -0.00010 -0.00010 2.01644 A33 1.96749 0.00000 0.00000 0.00003 0.00003 1.96752 A34 1.91104 0.00000 0.00000 -0.00005 -0.00005 1.91099 A35 1.87953 0.00000 0.00000 -0.00007 -0.00007 1.87947 A36 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A37 1.90727 0.00000 0.00000 0.00002 0.00002 1.90728 A38 1.84421 0.00000 0.00000 0.00007 0.00007 1.84427 A39 1.96755 0.00000 0.00000 -0.00003 -0.00003 1.96752 A40 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A41 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A42 1.91105 0.00000 0.00000 -0.00005 -0.00005 1.91100 A43 1.87936 0.00000 0.00000 0.00011 0.00011 1.87947 A44 1.84432 0.00000 0.00000 -0.00004 -0.00004 1.84427 A45 1.63630 0.00000 0.00000 -0.00050 -0.00050 1.63580 A46 1.72778 0.00000 0.00000 -0.00044 -0.00044 1.72735 A47 1.73926 0.00000 0.00000 -0.00003 -0.00003 1.73923 A48 2.09852 0.00000 0.00000 0.00025 0.00025 2.09877 A49 2.01632 0.00000 0.00000 0.00011 0.00011 2.01644 A50 2.08074 0.00000 0.00000 0.00007 0.00007 2.08081 A51 2.06725 0.00001 0.00000 0.00016 0.00016 2.06741 A52 2.09056 0.00000 0.00000 -0.00003 -0.00003 2.09054 A53 2.09946 0.00000 0.00000 -0.00007 -0.00007 2.09938 A54 2.15598 0.00000 0.00000 -0.00030 -0.00030 2.15568 A55 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 D1 2.50857 0.00000 0.00000 -0.00091 -0.00091 2.50766 D2 -0.00061 0.00001 0.00000 0.00060 0.00060 -0.00001 D3 -2.01005 0.00000 0.00000 0.00029 0.00029 -2.00976 D4 0.00240 -0.00001 0.00000 -0.00237 -0.00237 0.00003 D5 -2.50678 0.00000 0.00000 -0.00085 -0.00085 -2.50763 D6 1.76696 -0.00001 0.00000 -0.00116 -0.00116 1.76580 D7 -1.76461 -0.00001 0.00000 -0.00117 -0.00117 -1.76577 D8 2.00940 0.00000 0.00000 0.00035 0.00035 2.00975 D9 -0.00005 0.00000 0.00000 0.00004 0.00004 -0.00001 D10 0.09904 -0.00001 0.00000 -0.00011 -0.00011 0.09893 D11 2.69458 0.00000 0.00000 0.00120 0.00120 2.69578 D12 -1.91041 0.00000 0.00000 0.00040 0.00040 -1.91001 D13 -1.13258 0.00000 0.00000 -0.00016 -0.00016 -1.13273 D14 0.98661 0.00000 0.00000 -0.00009 -0.00009 0.98653 D15 3.11392 0.00000 0.00000 -0.00016 -0.00016 3.11377 D16 0.90173 0.00000 0.00000 -0.00018 -0.00018 0.90155 D17 3.02092 0.00000 0.00000 -0.00011 -0.00011 3.02081 D18 -1.13495 0.00000 0.00000 -0.00018 -0.00018 -1.13513 D19 2.90791 0.00000 0.00000 -0.00019 -0.00019 2.90772 D20 -1.25608 0.00000 0.00000 -0.00012 -0.00013 -1.25621 D21 0.87123 0.00000 0.00000 -0.00019 -0.00019 0.87103 D22 -0.09807 -0.00001 0.00000 -0.00086 -0.00086 -0.09892 D23 -2.69630 0.00000 0.00000 0.00049 0.00049 -2.69581 D24 1.91033 0.00000 0.00000 -0.00033 -0.00033 1.91000 D25 -0.98642 0.00000 0.00000 -0.00009 -0.00009 -0.98651 D26 1.13288 0.00000 0.00000 -0.00013 -0.00013 1.13275 D27 -3.11362 0.00000 0.00000 -0.00013 -0.00013 -3.11375 D28 1.25633 0.00000 0.00000 -0.00011 -0.00011 1.25622 D29 -2.90755 0.00000 0.00000 -0.00015 -0.00015 -2.90770 D30 -0.87087 0.00000 0.00000 -0.00015 -0.00015 -0.87102 D31 -3.02068 0.00000 0.00000 -0.00012 -0.00012 -3.02079 D32 -0.90137 0.00000 0.00000 -0.00016 -0.00016 -0.90154 D33 1.13531 0.00000 0.00000 -0.00016 -0.00016 1.13515 D34 1.92757 0.00000 0.00000 -0.00038 -0.00038 1.92720 D35 -0.15798 0.00000 0.00000 -0.00041 -0.00041 -0.15839 D36 -2.24048 0.00000 0.00000 -0.00044 -0.00044 -2.24092 D37 -1.57615 0.00000 0.00000 -0.00031 -0.00031 -1.57646 D38 -0.48260 0.00000 0.00000 0.00028 0.00028 -0.48232 D39 0.48265 0.00000 0.00000 -0.00033 -0.00033 0.48232 D40 1.57620 0.00000 0.00000 0.00026 0.00026 1.57646 D41 2.59472 0.00000 0.00000 -0.00020 -0.00020 2.59452 D42 -2.59491 0.00000 0.00000 0.00039 0.00039 -2.59452 D43 0.15761 0.00000 0.00000 0.00078 0.00078 0.15839 D44 -1.92804 0.00000 0.00000 0.00084 0.00084 -1.92720 D45 2.24018 0.00000 0.00000 0.00073 0.00073 2.24092 D46 1.26775 0.00000 0.00000 0.00004 0.00004 1.26779 D47 -0.45432 0.00000 0.00000 -0.00009 -0.00009 -0.45442 D48 -1.26664 0.00000 0.00000 -0.00111 -0.00111 -1.26775 D49 0.45504 0.00000 0.00000 -0.00060 -0.00060 0.45444 D50 1.13872 0.00000 0.00000 0.00010 0.00010 1.13882 D51 -0.60027 0.00000 0.00000 -0.00064 -0.00064 -0.60091 D52 2.99592 0.00000 0.00000 0.00037 0.00037 2.99629 D53 -1.76037 0.00000 0.00000 0.00043 0.00043 -1.75994 D54 2.78383 0.00000 0.00000 -0.00032 -0.00032 2.78351 D55 0.09683 0.00000 0.00000 0.00070 0.00070 0.09752 D56 -0.00060 0.00001 0.00000 0.00059 0.00059 -0.00001 D57 -2.90035 0.00000 0.00000 0.00032 0.00032 -2.90003 D58 2.89974 0.00000 0.00000 0.00028 0.00028 2.90002 D59 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D60 -1.22236 0.00000 0.00000 0.00017 0.00017 -1.22219 D61 0.95848 0.00000 0.00000 0.00016 0.00016 0.95863 D62 2.95563 0.00000 0.00000 0.00017 0.00017 2.95581 D63 0.56827 0.00000 0.00000 0.00091 0.00091 0.56918 D64 2.74911 0.00000 0.00000 0.00090 0.00090 2.75001 D65 -1.53692 0.00000 0.00000 0.00092 0.00092 -1.53600 D66 -3.01194 0.00000 0.00000 -0.00007 -0.00007 -3.01201 D67 -0.83110 0.00000 0.00000 -0.00008 -0.00008 -0.83118 D68 1.16605 0.00000 0.00000 -0.00006 -0.00006 1.16599 D69 0.00104 0.00000 0.00000 -0.00101 -0.00101 0.00003 D70 2.16110 0.00000 0.00000 -0.00108 -0.00108 2.16002 D71 -2.08803 0.00000 0.00000 -0.00112 -0.00112 -2.08915 D72 -2.15899 0.00000 0.00000 -0.00097 -0.00097 -2.15996 D73 0.00107 0.00000 0.00000 -0.00104 -0.00104 0.00003 D74 2.03513 0.00000 0.00000 -0.00108 -0.00108 2.03405 D75 2.09028 0.00000 0.00000 -0.00106 -0.00106 2.08922 D76 -2.03284 0.00000 0.00000 -0.00113 -0.00113 -2.03398 D77 0.00121 0.00000 0.00000 -0.00117 -0.00117 0.00004 D78 -1.77176 0.00000 0.00000 0.00049 0.00049 -1.77127 D79 0.41979 0.00000 0.00000 0.00050 0.00050 0.42029 D80 2.49165 0.00000 0.00000 0.00056 0.00056 2.49221 D81 1.22198 0.00000 0.00000 0.00020 0.00020 1.22218 D82 -0.57021 0.00000 0.00000 0.00097 0.00097 -0.56923 D83 3.01207 0.00000 0.00000 -0.00007 -0.00007 3.01200 D84 -0.95886 0.00000 0.00000 0.00022 0.00022 -0.95865 D85 -2.75105 0.00000 0.00000 0.00099 0.00099 -2.75006 D86 0.83122 0.00000 0.00000 -0.00005 -0.00005 0.83117 D87 -2.95606 0.00000 0.00000 0.00024 0.00024 -2.95582 D88 1.53494 0.00000 0.00000 0.00101 0.00101 1.53595 D89 -1.16598 0.00000 0.00000 -0.00003 -0.00003 -1.16601 D90 -0.42142 0.00000 0.00000 0.00107 0.00107 -0.42034 D91 1.77020 0.00000 0.00000 0.00102 0.00101 1.77121 D92 -2.49336 0.00000 0.00000 0.00110 0.00110 -2.49226 D93 -1.13893 0.00000 0.00000 0.00009 0.00009 -1.13884 D94 1.75954 0.00000 0.00000 0.00037 0.00037 1.75991 D95 0.60165 0.00000 0.00000 -0.00071 -0.00071 0.60094 D96 -2.78306 0.00000 0.00000 -0.00043 -0.00043 -2.78349 D97 -2.99668 0.00000 0.00000 0.00038 0.00038 -2.99630 D98 -0.09821 0.00000 0.00000 0.00066 0.00066 -0.09755 Item Value Threshold Converged? Maximum Force 0.000019 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.001538 0.001800 YES RMS Displacement 0.000357 0.001200 YES Predicted change in Energy=-7.356159D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3892 -DE/DX = 0.0 ! ! R2 R(1,4) 1.393 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0773 -DE/DX = 0.0 ! ! R4 R(1,14) 2.3144 -DE/DX = 0.0 ! ! R5 R(2,6) 1.0772 -DE/DX = 0.0 ! ! R6 R(2,8) 1.3928 -DE/DX = 0.0 ! ! R7 R(2,11) 2.3168 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4244 -DE/DX = 0.0 ! ! R9 R(3,7) 1.0987 -DE/DX = 0.0 ! ! R10 R(3,8) 1.4245 -DE/DX = 0.0 ! ! R11 R(3,9) 1.098 -DE/DX = 0.0 ! ! R12 R(7,18) 2.351 -DE/DX = 0.0 ! ! R13 R(7,19) 2.3511 -DE/DX = 0.0 ! ! R14 R(10,11) 1.3865 -DE/DX = 0.0 ! ! R15 R(10,15) 1.4078 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0883 -DE/DX = 0.0 ! ! R17 R(11,12) 1.5151 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0891 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5582 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0956 -DE/DX = 0.0 ! ! R21 R(12,22) 1.0989 -DE/DX = 0.0 ! ! R22 R(13,14) 1.5152 -DE/DX = 0.0 ! ! R23 R(13,19) 1.0955 -DE/DX = 0.0 ! ! R24 R(13,23) 1.0989 -DE/DX = 0.0 ! ! R25 R(14,15) 1.3867 -DE/DX = 0.0 ! ! R26 R(14,20) 1.0891 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0883 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9795 -DE/DX = 0.0 ! ! A2 A(2,1,5) 127.0905 -DE/DX = 0.0 ! ! A3 A(2,1,14) 106.8448 -DE/DX = 0.0 ! ! A4 A(4,1,5) 114.2647 -DE/DX = 0.0 ! ! A5 A(4,1,14) 106.8945 -DE/DX = 0.0 ! ! A6 A(5,1,14) 88.5146 -DE/DX = 0.0 ! ! A7 A(1,2,6) 127.1335 -DE/DX = 0.0 ! ! A8 A(1,2,8) 109.0069 -DE/DX = 0.0 ! ! A9 A(1,2,11) 106.788 -DE/DX = 0.0 ! ! A10 A(6,2,8) 114.2919 -DE/DX = 0.0 ! ! A11 A(6,2,11) 88.4303 -DE/DX = 0.0 ! ! A12 A(8,2,11) 106.8806 -DE/DX = 0.0 ! ! A13 A(4,3,7) 109.8911 -DE/DX = 0.0 ! ! A14 A(4,3,8) 107.3917 -DE/DX = 0.0 ! ! A15 A(4,3,9) 109.7908 -DE/DX = 0.0 ! ! A16 A(7,3,8) 109.8825 -DE/DX = 0.0 ! ! A17 A(7,3,9) 110.0593 -DE/DX = 0.0 ! ! A18 A(8,3,9) 109.784 -DE/DX = 0.0 ! ! A19 A(1,4,3) 106.8864 -DE/DX = 0.0 ! ! A20 A(3,7,18) 104.4776 -DE/DX = 0.0 ! ! A21 A(3,7,19) 104.4911 -DE/DX = 0.0 ! ! A22 A(18,7,19) 60.4519 -DE/DX = 0.0 ! ! A23 A(2,8,3) 106.8814 -DE/DX = 0.0 ! ! A24 A(11,10,15) 118.4632 -DE/DX = 0.0 ! ! A25 A(11,10,16) 120.2817 -DE/DX = 0.0 ! ! A26 A(15,10,16) 119.7777 -DE/DX = 0.0 ! ! A27 A(2,11,10) 98.9437 -DE/DX = 0.0 ! ! A28 A(2,11,12) 93.6968 -DE/DX = 0.0 ! ! A29 A(2,11,17) 99.65 -DE/DX = 0.0 ! ! A30 A(10,11,12) 120.2636 -DE/DX = 0.0 ! ! A31 A(10,11,17) 119.227 -DE/DX = 0.0 ! ! A32 A(12,11,17) 115.5393 -DE/DX = 0.0 ! ! A33 A(11,12,13) 112.7287 -DE/DX = 0.0 ! ! A34 A(11,12,18) 109.4946 -DE/DX = 0.0 ! ! A35 A(11,12,22) 107.6894 -DE/DX = 0.0 ! ! A36 A(13,12,18) 111.6652 -DE/DX = 0.0 ! ! A37 A(13,12,22) 109.2783 -DE/DX = 0.0 ! ! A38 A(18,12,22) 105.6652 -DE/DX = 0.0 ! ! A39 A(12,13,14) 112.7322 -DE/DX = 0.0 ! ! A40 A(12,13,19) 111.6633 -DE/DX = 0.0 ! ! A41 A(12,13,23) 109.2799 -DE/DX = 0.0 ! ! A42 A(14,13,19) 109.4952 -DE/DX = 0.0 ! ! A43 A(14,13,23) 107.6791 -DE/DX = 0.0 ! ! A44 A(19,13,23) 105.6715 -DE/DX = 0.0 ! ! A45 A(1,14,13) 93.7532 -DE/DX = 0.0 ! ! A46 A(1,14,15) 98.9948 -DE/DX = 0.0 ! ! A47 A(1,14,20) 99.6523 -DE/DX = 0.0 ! ! A48 A(13,14,15) 120.2363 -DE/DX = 0.0 ! ! A49 A(13,14,20) 115.5269 -DE/DX = 0.0 ! ! A50 A(15,14,20) 119.2178 -DE/DX = 0.0 ! ! A51 A(10,15,14) 118.4444 -DE/DX = 0.0 ! ! A52 A(10,15,21) 119.7804 -DE/DX = 0.0 ! ! A53 A(14,15,21) 120.2901 -DE/DX = 0.0 ! ! A54 A(7,18,12) 123.5285 -DE/DX = 0.0 ! ! A55 A(7,19,13) 123.5112 -DE/DX = 0.0 ! ! D1 D(4,1,2,6) 143.7305 -DE/DX = 0.0 ! ! D2 D(4,1,2,8) -0.035 -DE/DX = 0.0 ! ! D3 D(4,1,2,11) -115.1677 -DE/DX = 0.0 ! ! D4 D(5,1,2,6) 0.1375 -DE/DX = 0.0 ! ! D5 D(5,1,2,8) -143.628 -DE/DX = 0.0 ! ! D6 D(5,1,2,11) 101.2393 -DE/DX = 0.0 ! ! D7 D(14,1,2,6) -101.1044 -DE/DX = 0.0 ! ! D8 D(14,1,2,8) 115.13 -DE/DX = 0.0 ! ! D9 D(14,1,2,11) -0.0026 -DE/DX = 0.0 ! ! D10 D(2,1,4,3) 5.6747 -DE/DX = 0.0 ! ! D11 D(5,1,4,3) 154.3883 -DE/DX = 0.0 ! ! D12 D(14,1,4,3) -109.4582 -DE/DX = 0.0 ! ! D13 D(2,1,14,13) -64.8919 -DE/DX = 0.0 ! ! D14 D(2,1,14,15) 56.5288 -DE/DX = 0.0 ! ! D15 D(2,1,14,20) 178.4145 -DE/DX = 0.0 ! ! D16 D(4,1,14,13) 51.6656 -DE/DX = 0.0 ! ! D17 D(4,1,14,15) 173.0862 -DE/DX = 0.0 ! ! D18 D(4,1,14,20) -65.028 -DE/DX = 0.0 ! ! D19 D(5,1,14,13) 166.6112 -DE/DX = 0.0 ! ! D20 D(5,1,14,15) -71.9682 -DE/DX = 0.0 ! ! D21 D(5,1,14,20) 49.9176 -DE/DX = 0.0 ! ! D22 D(1,2,8,3) -5.6188 -DE/DX = 0.0 ! ! D23 D(6,2,8,3) -154.4868 -DE/DX = 0.0 ! ! D24 D(11,2,8,3) 109.454 -DE/DX = 0.0 ! ! D25 D(1,2,11,10) -56.5178 -DE/DX = 0.0 ! ! D26 D(1,2,11,12) 64.9094 -DE/DX = 0.0 ! ! D27 D(1,2,11,17) -178.3972 -DE/DX = 0.0 ! ! D28 D(6,2,11,10) 71.9824 -DE/DX = 0.0 ! ! D29 D(6,2,11,12) -166.5904 -DE/DX = 0.0 ! ! D30 D(6,2,11,17) -49.8971 -DE/DX = 0.0 ! ! D31 D(8,2,11,10) -173.0721 -DE/DX = 0.0 ! ! D32 D(8,2,11,12) -51.6449 -DE/DX = 0.0 ! ! D33 D(8,2,11,17) 65.0484 -DE/DX = 0.0 ! ! D34 D(7,3,4,1) 110.4419 -DE/DX = 0.0 ! ! D35 D(8,3,4,1) -9.0516 -DE/DX = 0.0 ! ! D36 D(9,3,4,1) -128.3702 -DE/DX = 0.0 ! ! D37 D(4,3,7,18) -90.3069 -DE/DX = 0.0 ! ! D38 D(4,3,7,19) -27.6509 -DE/DX = 0.0 ! ! D39 D(8,3,7,18) 27.6538 -DE/DX = 0.0 ! ! D40 D(8,3,7,19) 90.3098 -DE/DX = 0.0 ! ! D41 D(9,3,7,18) 148.6665 -DE/DX = 0.0 ! ! D42 D(9,3,7,19) -148.6775 -DE/DX = 0.0 ! ! D43 D(4,3,8,2) 9.0302 -DE/DX = 0.0 ! ! D44 D(7,3,8,2) -110.4688 -DE/DX = 0.0 ! ! D45 D(9,3,8,2) 128.3531 -DE/DX = 0.0 ! ! D46 D(3,7,18,12) 72.6368 -DE/DX = 0.0 ! ! D47 D(19,7,18,12) -26.0308 -DE/DX = 0.0 ! ! D48 D(3,7,19,13) -72.5729 -DE/DX = 0.0 ! ! D49 D(18,7,19,13) 26.0719 -DE/DX = 0.0 ! ! D50 D(15,10,11,2) 65.2439 -DE/DX = 0.0 ! ! D51 D(15,10,11,12) -34.3928 -DE/DX = 0.0 ! ! D52 D(15,10,11,17) 171.6533 -DE/DX = 0.0 ! ! D53 D(16,10,11,2) -100.8617 -DE/DX = 0.0 ! ! D54 D(16,10,11,12) 159.5017 -DE/DX = 0.0 ! ! D55 D(16,10,11,17) 5.5477 -DE/DX = 0.0 ! ! D56 D(11,10,15,14) -0.0344 -DE/DX = 0.0 ! ! D57 D(11,10,15,21) -166.1778 -DE/DX = 0.0 ! ! D58 D(16,10,15,14) 166.143 -DE/DX = 0.0 ! ! D59 D(16,10,15,21) -0.0003 -DE/DX = 0.0 ! ! D60 D(2,11,12,13) -70.0361 -DE/DX = 0.0 ! ! D61 D(2,11,12,18) 54.9168 -DE/DX = 0.0 ! ! D62 D(2,11,12,22) 169.3454 -DE/DX = 0.0 ! ! D63 D(10,11,12,13) 32.5597 -DE/DX = 0.0 ! ! D64 D(10,11,12,18) 157.5125 -DE/DX = 0.0 ! ! D65 D(10,11,12,22) -88.0589 -DE/DX = 0.0 ! ! D66 D(17,11,12,13) -172.5714 -DE/DX = 0.0 ! ! D67 D(17,11,12,18) -47.6186 -DE/DX = 0.0 ! ! D68 D(17,11,12,22) 66.81 -DE/DX = 0.0 ! ! D69 D(11,12,13,14) 0.0597 -DE/DX = 0.0 ! ! D70 D(11,12,13,19) 123.8221 -DE/DX = 0.0 ! ! D71 D(11,12,13,23) -119.6353 -DE/DX = 0.0 ! ! D72 D(18,12,13,14) -123.7008 -DE/DX = 0.0 ! ! D73 D(18,12,13,19) 0.0616 -DE/DX = 0.0 ! ! D74 D(18,12,13,23) 116.6042 -DE/DX = 0.0 ! ! D75 D(22,12,13,14) 119.7642 -DE/DX = 0.0 ! ! D76 D(22,12,13,19) -116.4734 -DE/DX = 0.0 ! ! D77 D(22,12,13,23) 0.0693 -DE/DX = 0.0 ! ! D78 D(11,12,18,7) -101.5144 -DE/DX = 0.0 ! ! D79 D(13,12,18,7) 24.0523 -DE/DX = 0.0 ! ! D80 D(22,12,18,7) 142.761 -DE/DX = 0.0 ! ! D81 D(12,13,14,1) 70.0144 -DE/DX = 0.0 ! ! D82 D(12,13,14,15) -32.6704 -DE/DX = 0.0 ! ! D83 D(12,13,14,20) 172.5786 -DE/DX = 0.0 ! ! D84 D(19,13,14,1) -54.9389 -DE/DX = 0.0 ! ! D85 D(19,13,14,15) -157.6237 -DE/DX = 0.0 ! ! D86 D(19,13,14,20) 47.6253 -DE/DX = 0.0 ! ! D87 D(23,13,14,1) -169.3697 -DE/DX = 0.0 ! ! D88 D(23,13,14,15) 87.9454 -DE/DX = 0.0 ! ! D89 D(23,13,14,20) -66.8055 -DE/DX = 0.0 ! ! D90 D(12,13,19,7) -24.1453 -DE/DX = 0.0 ! ! D91 D(14,13,19,7) 101.4249 -DE/DX = 0.0 ! ! D92 D(23,13,19,7) -142.8589 -DE/DX = 0.0 ! ! D93 D(1,14,15,10) -65.256 -DE/DX = 0.0 ! ! D94 D(1,14,15,21) 100.8144 -DE/DX = 0.0 ! ! D95 D(13,14,15,10) 34.472 -DE/DX = 0.0 ! ! D96 D(13,14,15,21) -159.4575 -DE/DX = 0.0 ! ! D97 D(20,14,15,10) -171.6974 -DE/DX = 0.0 ! ! D98 D(20,14,15,21) -5.6269 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-149|Freq|RB3LYP|6-31G(d)|C9H12O2|JS5515|08- Feb-2018|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,-0.758363,0.695426,-0.970141|C, -0.758699,-0.69379,-0.971668|C,-2.404332,-0.000651,0.418535|O,-1.81600 8,1.147872,-0.184523|H,-0.506839,1.345961,-1.791184|H,-0.505675,-1.343 251,-1.793025|H,-2.200616,-0.001718,1.498141|O,-1.815718,-1.147997,-0. 186672|H,-3.487676,-0.000683,0.239702|C,2.10991,-0.702752,-0.727296|C, 1.19503,-1.364572,0.077354|C,0.792641,-0.780357,1.416085|C,0.792311,0. 77782,1.417335|C,1.193076,1.364477,0.079065|C,2.109284,0.705003,-0.726 246|H,2.649751,-1.242425,-1.503011|H,1.089878,-2.44467,-0.014277|H,-0. 180794,-1.185264,1.71396|H,-0.180964,1.181793,1.716902|H,1.087389,2.44 4713,-0.010399|H,2.648627,1.246351,-1.501121|H,1.507591,-1.143617,2.16 7395|H,1.507995,1.140201,2.168341||Version=EM64W-G09RevD.01|State=1-A| HF=-500.4886689|RMSD=3.887e-009|RMSF=1.381e-005|ZeroPoint=0.1939384|Th ermal=0.2032595|Dipole=-0.1147062,-0.000379,-0.0986044|DipoleDeriv=0.7 722688,-0.2540228,-0.113572,-0.5446835,0.1423927,0.006482,-0.5188229,- 0.0750985,0.1215111,0.7742387,0.2546233,-0.1133717,0.5455264,0.143222, -0.0064475,-0.5185818,0.0744774,0.1208589,1.0767959,0.0002434,-0.13450 04,-0.0004279,0.5784571,-0.0004288,-0.4704067,-0.0001722,0.710259,-1.0 952738,0.1970639,0.230407,0.088674,-0.5137948,0.1349529,0.6332493,-0.0 283019,-0.4253929,-0.0514129,0.0252139,0.0023,0.0130165,0.0720603,0.03 12813,-0.0035903,0.0672513,0.0036091,-0.0513864,-0.0250593,0.0024228,- 0.0126033,0.072207,-0.031066,-0.0038234,-0.0668451,0.0038438,-0.012033 3,0.0000677,-0.0720913,0.0000839,0.0024153,0.0002534,0.0794029,0.00023 1,-0.2024796,-1.0975498,-0.1978135,0.2296718,-0.0903521,-0.5139541,-0. 1350716,0.6353531,0.0285633,-0.4250193,-0.2978573,-0.0000721,0.0029379 ,0.0000843,0.0560247,0.0000579,-0.0227812,0.0000387,0.0066034,-0.24138 33,0.0826646,-0.1426476,-0.049831,-0.0179375,0.0042228,-0.1007447,0.23 26131,-0.036522,0.1009698,-0.0858337,0.0383383,0.0111208,0.1298138,0.0 107201,0.0905724,-0.1435385,0.138639,0.1520252,0.06733,-0.0105621,-0.0 090046,-0.0195154,-0.021729,0.0330106,-0.0277082,0.074308,0.1521682,-0 .0673075,-0.0107625,0.0090002,-0.0196068,0.0215863,0.0324711,0.0275958 ,0.07429,0.1027586,0.0856898,0.0388652,-0.0099627,0.1299163,-0.0102223 ,0.0911068,0.1440413,0.1390162,-0.2437176,-0.0826719,-0.1430498,0.0493 78,-0.0186625,-0.0044769,-0.1003026,-0.2331936,-0.0369401,0.0375506,0. 0278621,0.0753398,0.056224,0.0072914,-0.0598117,0.13709,-0.087114,-0.0 391867,0.053163,0.0266473,0.0116457,-0.0001322,-0.1442744,-0.019903,-0 .0008685,0.0031278,0.0098061,-0.077944,-0.085974,0.106869,-0.0424513,- 0.0027119,0.0057891,0.0358379,0.0131368,0.0167946,-0.0779497,0.0857336 ,0.1070795,0.0422605,-0.002637,-0.0059491,0.036113,-0.0132369,0.016677 2,0.0533232,-0.0266712,0.0115193,0.0003601,-0.1443745,0.0196274,-0.000 8524,-0.0035869,0.0097982,0.0377843,-0.0277792,0.0752368,-0.0562996,0. 0070023,0.0598847,0.1369367,0.0873652,-0.0389754,-0.033145,0.0553066,- 0.0959627,0.0254119,0.0282792,0.0142905,-0.100263,0.1029699,-0.120854, -0.0333932,-0.055241,-0.0961129,-0.0253924,0.0283869,-0.0140426,-0.100 1062,-0.1026159,-0.1206448|Polar=121.1906029,0.012473,96.57681,-6.4012 504,-0.0053843,86.0910725|PG=C01 [X(C9H12O2)]|NImag=1||0.26292333,-0.0 2260303,0.67758479,-0.23095114,-0.19322874,0.45398435,-0.05366440,-0.0 5699748,0.00217058,0.26340018,0.05704963,-0.32942379,0.02030372,0.0226 9992,0.67735609,0.00221450,-0.02074381,-0.08815474,-0.23145208,0.19352 213,0.45453928,-0.03084932,-0.01981093,0.02992169,-0.03087478,0.019753 01,0.02998383,0.64629799,-0.04809337,0.00857576,0.02471092,0.04806310, 0.00872366,-0.02469456,0.00007028,0.36026184,0.02250601,0.01413487,-0. 02641155,0.02265304,-0.01409306,-0.02649639,0.00462547,-0.00029071,0.6 1541004,-0.13249592,0.07466955,0.09692719,-0.03635196,0.02185175,0.025 69655,-0.10344878,-0.02209993,0.03233673,0.27919416,0.04218609,-0.1096 5551,-0.00866158,0.02363203,-0.04296728,-0.01500297,-0.01399235,-0.136 47998,0.02314312,-0.02661898,0.35033844,0.08201134,-0.03474526,-0.1062 4139,0.03790398,-0.02969010,-0.00543015,0.02836321,0.03974925,-0.10311 750,-0.18086090,-0.01565564,0.22240347,-0.03796215,-0.02273123,0.06157 905,0.00382140,-0.00889041,-0.00076746,-0.00140531,0.00473394,0.004373 95,-0.01414161,-0.01700422,0.02129517,0.06220894,-0.03812268,-0.171102 67,0.15598085,-0.00881390,-0.00778748,0.02023927,0.00212793,-0.0031195 5,-0.00224499,0.00598022,0.01092675,-0.01302986,0.04348682,0.17203991, 0.07725851,0.16240283,-0.21796522,-0.00216223,-0.00962414,0.00664615,- 0.00023325,-0.00285247,-0.00111732,0.00738104,0.00788808,-0.01141708,- 0.07452381,-0.15682530,0.22779743,0.00384807,0.00884248,-0.00077386,-0 .03816876,0.02299765,0.06199128,-0.00139908,-0.00473922,0.00435788,0.0 0378751,-0.00089913,0.00063876,-0.00130321,-0.00058321,-0.00106866,0.0 6238281,0.00883200,-0.00771632,-0.02022728,0.03830451,-0.17081084,-0.1 5594647,-0.00213238,-0.00313503,0.00224868,-0.00007231,-0.00332884,-0. 00163222,0.00058272,0.00014620,0.00090710,-0.04366939,0.17169577,-0.00 212834,0.00957188,0.00661615,0.07766352,-0.16230235,-0.21823863,-0.000 22903,0.00284867,-0.00110401,0.00104608,0.00189054,0.00224278,-0.00107 066,-0.00090802,-0.00071863,-0.07495270,0.15674737,0.22803999,0.000762 10,-0.00122877,0.00003669,0.00076344,0.00123149,0.00003859,-0.07715977 ,0.00005465,-0.06577354,0.00596252,-0.00554325,0.02201702,-0.00059712, 0.00017965,0.00037776,-0.00059686,-0.00018079,0.00037719,0.07267427,0. 00754389,-0.00379370,0.00115231,-0.00753689,-0.00379802,-0.00115324,0. 00005204,-0.04508629,0.00023446,-0.00946429,-0.00887082,0.03465575,-0. 00119653,0.00075360,0.00083314,0.00119301,0.00075533,-0.00083032,-0.00 005072,0.06223760,-0.00255766,0.00236515,0.00085417,-0.00257566,-0.002 37370,0.00084851,-0.05772829,0.00022860,-0.28442483,0.00667492,0.01424 998,-0.01240783,0.00043262,-0.00026507,-0.00049269,0.00043409,0.000266 75,-0.00049307,0.05319911,-0.00024704,0.31407449,-0.03631805,-0.021949 29,0.02561901,-0.13264556,-0.07488706,0.09698299,-0.10341450,0.0219989 7,0.03233789,0.02207963,0.01443256,-0.01467021,0.00379011,0.00008077,0 .00104570,-0.01414576,-0.00601222,0.00736189,0.00595133,0.00945529,0.0 0669729,0.27929025,-0.02370859,-0.04303634,0.01494395,-0.04242521,-0.1 0987351,0.00878272,0.01391732,-0.13630343,-0.02314392,-0.01436825,-0.0 5884334,0.01095504,0.00089503,-0.00332580,-0.00189671,0.01695788,0.010 93894,-0.00786405,0.00550834,-0.00876912,-0.01423328,0.02704275,0.3502 9071,0.03787117,0.02963912,-0.00529163,0.08213771,0.03484375,-0.106309 96,0.02836311,-0.03971120,-0.10320482,-0.01472219,-0.01111401,0.008637 79,0.00063526,0.00161288,0.00223168,0.02128831,0.01307883,-0.01140304, 0.02203906,-0.03465140,-0.01250490,-0.18094648,0.01572115,0.22255920,- 0.00059898,-0.00073140,-0.00209489,-0.00059544,0.00073401,-0.00209045, -0.29374411,0.00001139,-0.05433171,-0.00892973,-0.01148069,0.00709501, -0.00037299,-0.00013806,-0.00013787,-0.00037393,0.00013838,-0.00013882 ,-0.00613655,0.00000185,-0.00374234,-0.00894293,0.01146356,0.00711455, 0.31969474,0.00149319,-0.00419453,-0.00396634,-0.00149555,-0.00420869, 0.00396155,0.00001309,-0.05089887,0.00001154,-0.03391768,-0.00351662,0 .00806491,-0.00097456,-0.00003591,-0.00036157,0.00097359,-0.00003464,0 .00036076,0.00002850,0.00692260,0.00001092,0.03387977,-0.00347928,-0.0 0807927,0.00000018,0.05898709,0.00124732,0.00133992,-0.00096489,0.0012 3914,-0.00134393,-0.00096171,-0.06136927,0.00001482,-0.07263727,0.0211 3653,0.00521570,0.00545358,0.00039910,-0.00004872,0.00002925,0.0004013 6,0.00004871,0.00003018,-0.03179276,0.00000711,-0.00497644,0.02120200, -0.00523026,0.00542578,0.04757228,-0.00000349,0.06923962,-0.00723472,- 0.01760372,-0.00356510,-0.03260541,0.02419945,-0.00999682,-0.00008432, 0.00379312,-0.00141292,-0.00607518,0.00109262,0.00398844,0.00208655,0. 00037004,0.00122533,0.00266377,-0.00187111,0.00389282,0.00015766,-0.00 052137,0.00046845,0.00207436,-0.00175697,-0.00102501,-0.00058104,-0.00 049020,0.00051872,0.39318358,-0.02924771,-0.04383035,-0.01609869,-0.03 258245,0.04202395,-0.01514263,-0.00038589,-0.00139202,-0.00125355,0.00 331714,0.00297743,0.00163828,0.00533693,0.00215299,0.00510072,0.006436 20,-0.00178534,0.00487782,0.00041071,0.00015432,0.00077531,-0.00101402 ,-0.00251895,0.00201502,-0.00047061,0.00020138,0.00061738,0.01334166,0 .65396542,0.01009617,0.01939586,0.00830766,0.01350313,-0.02210404,0.00 599861,-0.00002067,-0.00030976,-0.00009482,-0.00135120,-0.00161963,-0. 00152770,-0.00110131,-0.00059825,-0.00145371,-0.00537675,0.00152072,-0 .00091268,-0.00034797,0.00022435,-0.00021752,-0.00220019,0.00209250,0. 00055058,0.00002484,0.00013354,-0.00003446,-0.28758749,0.04426248,0.47 263629,0.02612054,0.06370811,0.01709176,0.05516141,-0.07097465,0.03372 992,-0.00083623,-0.00118159,0.00154723,-0.00196175,-0.00479451,-0.0047 1783,-0.00645313,-0.00238622,-0.00492400,-0.01436983,0.00497182,-0.009 76820,-0.00013202,0.00004257,-0.00086381,-0.00992403,0.00524141,-0.003 22634,0.00067835,0.00049879,-0.00057963,-0.17071215,-0.04489559,0.1213 6671,0.25903468,0.00561826,-0.00385612,0.00365113,-0.00732220,-0.01097 939,-0.00660453,0.00029347,0.00019345,-0.00031433,-0.00227740,-0.00009 573,0.00117405,0.00043816,-0.00061200,-0.00055192,-0.00237606,0.001972 04,-0.00082049,0.00006968,-0.00020935,0.00010170,-0.00234613,0.0012968 5,-0.00034413,-0.00023041,-0.00002825,0.00001583,-0.10445155,-0.170589 01,0.07965111,0.14184592,0.66562671,-0.00247081,0.00376681,-0.00039308 ,0.00553662,-0.00719669,-0.00593936,0.00034258,-0.00145334,0.00166500, 0.00291480,-0.00087048,-0.00166169,-0.00004869,-0.00003713,0.00023402, -0.00664949,0.00252183,-0.00365691,0.00051541,-0.00004425,-0.00007046, 0.00214284,0.00088252,-0.00179356,0.00042005,-0.00010043,-0.00029936,0 .14296307,0.06608082,-0.19240324,-0.21629415,-0.01091946,0.46173577,-0 .00271695,-0.00757053,-0.00349753,-0.00599149,0.00812990,-0.01304349,- 0.00003426,0.00023391,-0.00240510,-0.00092417,-0.00007018,0.00144508,0 .00063183,0.00013369,0.00065202,0.00006307,0.00011826,0.00046482,-0.00 044989,0.00052982,0.00080501,-0.00203134,-0.00090685,0.00210141,-0.000 01164,-0.00011432,0.00047910,-0.01076253,-0.00041992,0.02606089,-0.067 69245,0.00790091,0.03229500,0.57806550,-0.00026248,0.00040906,-0.00031 030,0.00198514,0.00040452,0.00235316,0.00025545,0.00082796,-0.00052395 ,0.00015390,-0.00059344,-0.00010109,-0.00025958,-0.00010125,-0.0001477 4,0.00028902,-0.00020192,0.00012155,-0.00008536,0.00022974,0.00015512, -0.00069149,0.00001980,0.00054655,0.00001535,0.00003392,0.00012149,0.0 0255221,0.01865387,0.00978088,0.00193907,-0.10689352,-0.03494790,0.023 22134,0.46058604,-0.00140320,-0.00387035,-0.00092166,-0.01246235,0.004 20207,-0.01315093,-0.00023580,-0.00001130,0.00093123,0.00042408,0.0005 5085,0.00022392,0.00059128,0.00004691,0.00033132,0.00000769,0.00002481 ,0.00018773,-0.00019783,-0.00006010,-0.00048836,0.00379814,0.00015617, -0.00127239,-0.00008641,-0.00009733,-0.00025318,0.00794654,-0.00514135 ,-0.01961621,0.04446319,-0.04232166,-0.16730284,0.00483852,-0.03932242 ,0.50014941,-0.00601996,-0.00811734,-0.01311529,-0.00270901,0.00759146 ,-0.00348180,-0.00003602,-0.00023316,-0.00240346,-0.00201215,0.0009024 5,0.00210755,0.00005506,-0.00012163,0.00046085,0.00063165,-0.00013455, 0.00065177,-0.00045134,-0.00053220,0.00080215,-0.00092296,0.00006480,0 .00144675,-0.00001208,0.00011379,0.00047864,-0.00634405,-0.00794762,0. 00072314,0.00649533,0.00882008,-0.00468431,-0.07916782,0.00009623,0.00 486800,0.57825868,-0.00196973,0.00040278,-0.00235115,0.00026235,0.0004 1596,0.00030250,-0.00025548,0.00082475,0.00052223,0.00068668,0.0000232 5,-0.00054055,-0.00029174,-0.00020162,-0.00012364,0.00025863,-0.000100 73,0.00014706,0.00008587,0.00022985,-0.00015260,-0.00015673,-0.0005930 7,0.00010289,-0.00001529,0.00003421,-0.00012051,-0.00457379,-0.0050256 8,0.00214968,0.00482744,-0.01655644,-0.01527860,-0.00008820,-0.1602761 2,0.00530171,-0.02314150,0.46041900,-0.01247096,-0.00418340,-0.0131875 4,-0.00139934,0.00387742,-0.00091111,-0.00023646,0.00001309,0.00093346 ,0.00378723,-0.00015141,-0.00127452,0.00000052,-0.00002768,0.00018238, 0.00059064,-0.00004824,0.00033088,-0.00019599,0.00006249,-0.00048862,0 .00042336,-0.00055268,0.00021873,-0.00008654,0.00009749,-0.00025334,-0 .00073543,0.00238014,0.00174919,-0.00059023,-0.02883669,0.00436974,0.0 0485079,-0.00543746,-0.07545133,0.00472657,0.03934431,0.50018013,0.055 35628,0.07115530,0.03400371,0.02608323,-0.06388726,0.01697807,-0.00084 280,0.00118143,0.00155402,-0.00994970,-0.00525181,-0.00325230,-0.01438 938,-0.00496081,-0.00978706,-0.00645867,0.00239852,-0.00493022,-0.0001 3110,-0.00004095,-0.00086653,-0.00196536,0.00482316,-0.00472388,0.0006 8148,-0.00049801,-0.00058257,0.01645492,0.07080059,-0.02135550,-0.0532 1107,-0.00650446,0.00611467,0.00650570,-0.00479492,-0.00061035,-0.0675 9110,-0.00193409,0.04435292,0.25899896,0.00737131,-0.01098455,0.006644 38,-0.00561497,-0.00394545,-0.00363383,-0.00029808,0.00018884,0.000322 23,0.00236214,0.00128919,0.00033394,0.00239106,0.00197775,0.00083385,- 0.00044410,-0.00060892,0.00054356,-0.00007026,-0.00020901,-0.00010529, 0.00227955,-0.00008592,-0.00118714,0.00023233,-0.00002771,-0.00001748, 0.01943202,-0.03639815,-0.01819430,0.00644145,-0.00526224,-0.00480311, -0.00875084,-0.01663234,0.02880836,-0.00787596,-0.10699080,0.04242761, -0.14175219,0.66528288,0.00560984,0.00725061,-0.00596812,-0.00247550,- 0.00382143,-0.00039719,0.00034146,0.00145125,0.00167418,0.00217310,-0. 00087343,-0.00177806,-0.00667915,-0.00252707,-0.00367649,-0.00005327,0 .00003556,0.00022996,0.00051416,0.00004334,-0.00007254,0.00292851,0.00 088036,-0.00167109,0.00042206,0.00010094,-0.00030129,-0.00410141,-0.02 096004,0.01044103,0.00608134,0.00481112,-0.00543122,-0.00470070,0.0152 4919,0.00444049,0.03215771,0.03500810,-0.16713433,-0.21634526,0.011021 33,0.46153974,-0.03275177,-0.02430120,-0.01009175,-0.00722171,0.017702 74,-0.00355631,-0.00007812,-0.00379602,-0.00143326,0.00205627,0.001769 31,-0.00100793,0.00268425,0.00187289,0.00390854,0.00209334,-0.00037645 ,0.00123151,0.00015732,0.00052179,0.00047345,-0.00609708,-0.00111553,0 .00401123,-0.00058458,0.00048892,0.00052232,-0.07455458,-0.01628855,0. 03437022,0.01651965,-0.01935601,-0.00414923,-0.00635763,0.00457301,-0. 00073331,-0.01077042,-0.00260402,0.00792439,-0.17081674,0.10414706,0.1 4308854,0.39326973,0.03259789,0.04196471,0.01523696,0.02917134,-0.0437 9299,0.01597293,0.00038763,-0.00139698,0.00124644,0.00100882,-0.002504 48,-0.00202260,-0.00642474,-0.00177020,-0.00487382,-0.00533136,0.00215 857,-0.00509292,-0.00040992,0.00015633,-0.00077328,-0.00333015,0.00297 845,-0.00162195,0.00046940,0.00020447,-0.00061592,0.01647731,-0.310475 75,-0.03307058,-0.07066739,-0.03656046,0.02091595,0.00795333,-0.005012 16,-0.00238405,0.00033557,0.01864799,0.00519681,0.04456153,-0.17010131 ,-0.06577864,-0.01308353,0.65395533,0.01357964,0.02219680,0.00609869,0 .01011079,-0.01948380,0.00829331,-0.00002286,0.00031064,-0.00009197,-0 .00220486,-0.00210314,0.00053697,-0.00538682,-0.00151902,-0.00091792,- 0.00110395,0.00060403,-0.00145705,-0.00034808,-0.00022425,-0.00021970, -0.00135599,0.00163047,-0.00153377,0.00002544,-0.00013338,-0.00003551, 0.03435902,0.03278789,-0.10373014,-0.02143321,0.01811194,0.01051795,0. 00073599,-0.00216031,0.00174198,0.02608097,-0.00969313,-0.01963907,0.1 2133673,-0.07934556,-0.19241936,-0.28748034,-0.04446005,0.47228155,-0. 00126384,-0.00275242,-0.00094348,-0.00153082,0.00268517,-0.00072467,0. 00007193,-0.00016143,0.00004935,0.00034609,0.00038253,-0.00001125,0.00 023976,0.00018517,0.00025371,0.00007527,-0.00012949,-0.00002225,0.0000 0414,0.00003569,-0.00004232,-0.00016457,-0.00042331,0.00013628,-0.0000 4545,0.00000678,-0.00001270,-0.11276425,0.06033903,0.10797470,-0.00243 512,0.01205349,0.01683416,0.00208425,-0.00398490,0.00097610,-0.0006230 4,-0.00004103,-0.00072731,0.00606647,-0.00081839,0.00280433,0.00251354 ,0.00216343,-0.00158304,0.11154045,-0.00047160,-0.00020322,0.00003272, -0.00045426,0.00020429,-0.00033556,-0.00008562,-0.00003244,0.00015282, 0.00010100,0.00000146,-0.00008531,0.00012650,-0.00002553,-0.00002211,0 .00006894,0.00010934,0.00011180,0.00000871,-0.00000834,-0.00002715,0.0 0025173,0.00005822,-0.00006790,0.00001907,-0.00000723,-0.00001461,0.06 341548,-0.12550051,-0.09977742,-0.00715799,0.01070249,0.01404798,-0.00 316543,-0.00087758,0.00079662,-0.00024891,-0.00026425,0.00036322,-0.00 188107,-0.00566436,0.00151547,0.01779498,-0.01140794,-0.02422457,-0.07 060478,0.13103499,-0.00077417,-0.00171895,-0.00054155,-0.00149314,0.00 188723,-0.00089227,-0.00010565,0.00010860,-0.00005227,0.00007427,0.000 22814,0.00017667,0.00015122,0.00006544,0.00012197,0.00046526,-0.000159 82,0.00014221,-0.00003138,0.00002298,0.00004086,0.00032315,-0.00017416 ,0.00001923,0.00002735,-0.00003062,0.00003287,0.11034910,-0.10328491,- 0.18647211,0.00935023,-0.01001055,-0.01068531,0.00660025,0.00061138,0. 00155037,-0.00060305,0.00080238,-0.00023139,0.00288394,-0.00019585,0.0 0299735,-0.00050202,0.00439183,0.00201128,-0.12180790,0.10703048,0.194 09029,-0.00143695,-0.00188794,-0.00122153,-0.00086067,0.00780518,-0.00 068188,0.00014617,0.00025668,-0.00003028,0.00011945,0.00012021,0.00005 467,0.00012871,0.00022886,0.00015461,0.00065880,-0.00021353,0.00004048 ,0.00004292,-0.00001273,0.00005169,0.00007301,-0.00120357,0.00042264,- 0.00000163,-0.00004041,0.00000874,0.00173540,-0.02566281,-0.00250454,- 0.04246857,-0.02507056,0.00902784,0.00214776,0.00715873,-0.00071218,0. 00089839,0.00238396,0.00087975,0.00034932,0.00158604,0.00067417,-0.000 08932,0.00070070,0.00786097,-0.00222892,0.00095069,-0.00314638,0.04000 383,-0.00025381,0.00009488,0.00042349,-0.00083693,-0.00152388,-0.00025 233,-0.00009374,-0.00021260,-0.00003964,0.00014461,0.00027077,0.000135 07,0.00003863,-0.00005560,-0.00002000,0.00034150,0.00003470,0.00061846 ,-0.00005881,0.00002578,0.00000852,0.00092873,0.00075573,-0.00042430,0 .00004379,0.00000976,0.00001000,0.00139197,-0.01111073,-0.00308970,-0. 03318388,-0.32791913,-0.02641312,-0.00117040,-0.00858723,0.00147745,0. 00051085,0.00071953,-0.00160545,-0.00000092,0.00047003,-0.00032594,-0. 00302574,0.00054198,0.00094470,0.00058394,0.00088151,0.00103973,0.0344 5150,0.34651336,-0.00094569,-0.00177171,-0.00108248,-0.00068159,0.0054 3055,-0.00073255,0.00015561,-0.00009680,-0.00047191,-0.00013559,0.0003 0799,0.00035773,0.00013760,0.00017967,0.00016338,0.00023694,0.00002398 ,0.00004438,-0.00001348,-0.00000968,0.00016208,-0.00023513,-0.00058398 ,0.00049637,-0.00003328,-0.00001127,0.00009172,-0.00007277,0.01833465, 0.00371733,0.00875603,-0.02528365,-0.05112715,-0.00176001,-0.02908961, -0.00002303,0.00193697,0.00107179,-0.00546351,0.00115830,0.00134890,-0 .00084053,0.00460280,0.00234995,0.00203943,-0.00251323,0.00018926,-0.0 0111387,-0.00998441,0.02825868,0.05232389,-0.00038148,-0.00002097,0.00 049250,-0.00177718,-0.00021375,-0.00089496,-0.00142750,0.00100615,-0.0 0001425,0.00051302,0.00000893,-0.00046679,0.00006721,-0.00000033,0.000 05839,0.00010754,-0.00010548,0.00010535,-0.00041630,0.00021007,-0.0003 8173,0.00097159,0.00030052,-0.00145859,0.00006262,-0.00002642,-0.00018 597,-0.00024825,0.00211124,0.00094252,-0.00626849,-0.00243980,0.003347 59,-0.25762096,-0.08436247,0.06151718,0.00353731,0.00193249,-0.0022028 8,0.00027581,0.00064156,-0.00013343,0.00014498,0.00055140,-0.00038798, 0.00021221,-0.00037187,0.00058797,0.00039592,0.00025504,0.00036538,0.2 8098718,-0.00044360,0.00048437,0.00063121,-0.00062310,-0.00036502,0.00 068826,0.00017938,-0.00028327,0.00204482,0.00064247,0.00015598,-0.0006 4071,0.00006033,-0.00005370,-0.00005371,0.00002940,-0.00003718,-0.0000 7003,0.00051656,-0.00036131,-0.00067879,0.00067585,-0.00034195,-0.0010 2656,-0.00002741,0.00000281,-0.00045398,0.00058189,0.00102886,-0.00329 502,0.01132246,0.00635507,-0.00040924,-0.08352336,-0.08507833,0.024341 93,-0.02571327,-0.01132631,0.00747988,-0.00074646,-0.00325745,-0.00188 725,0.00070916,-0.00114924,-0.00018629,0.00002290,0.00028828,-0.000602 68,0.00005068,0.00036874,0.00061238,0.08807107,0.09237880,0.00054043,0 .00049702,0.00006846,0.00332021,-0.00001707,-0.00240024,-0.00119684,0. 00185760,0.00018059,-0.00062512,-0.00029048,0.00034122,-0.00009488,-0. 00002763,-0.00002656,-0.00047449,0.00009351,-0.00022436,-0.00007424,-0 .00005311,0.00010010,-0.00011437,-0.00139397,0.00166127,0.00013171,-0. 00010124,0.00003131,0.00231169,-0.00398285,-0.00383180,0.02799227,0.01 264396,-0.01163579,0.05752420,0.02489155,-0.06436755,0.00003472,-0.000 87714,-0.00059500,-0.00072209,0.00080555,-0.00039708,-0.00027270,-0.00 090587,0.00035274,0.00036712,0.00091810,-0.00162181,-0.00090846,-0.000 17583,0.00076199,-0.06640940,-0.02507114,0.07340845,-0.00176696,0.0002 1623,-0.00088804,-0.00038284,0.00001882,0.00049213,-0.00142383,-0.0010 0220,-0.00001919,0.00095987,-0.00029824,-0.00145855,0.00010621,0.00010 430,0.00010428,0.00006754,-0.00000037,0.00005873,-0.00041304,-0.000208 41,-0.00038050,0.00051206,-0.00000582,-0.00046946,0.00006313,0.0000263 9,-0.00018491,0.00014317,-0.00055480,-0.00038591,0.00028014,-0.0006426 1,-0.00013716,0.00352655,-0.00192877,-0.00220761,-0.25762012,0.0841807 6,0.06188763,-0.00623462,0.00241493,0.00333046,-0.00024096,-0.00210152 ,0.00094271,-0.00002746,0.00007830,-0.00001931,-0.00012056,-0.00007694 ,-0.00023901,0.00197486,-0.00000256,-0.00022186,0.28096671,0.00061295, -0.00036578,-0.00068711,0.00044357,0.00048828,-0.00063052,-0.00017409, -0.00027581,-0.00204564,-0.00067257,-0.00034626,0.00102190,-0.00002841 ,-0.00003700,0.00007042,-0.00006026,-0.00005359,0.00005347,-0.00051665 ,-0.00036317,0.00067664,-0.00064261,0.00015276,0.00064235,0.00002726,0 .00000201,0.00045384,-0.00070766,-0.00115203,0.00018610,0.00074618,-0. 00327074,0.00188667,0.02571234,-0.01130920,-0.00754363,0.08335801,-0.0 8492001,-0.02445466,-0.01137699,0.00636578,0.00046332,-0.00058492,0.00 101358,0.00330583,-0.00006325,0.00011402,-0.00011564,0.00048945,-0.000 56446,-0.00101402,0.00000240,0.00186022,-0.00022256,-0.08787445,0.0922 2503,0.00332010,0.00002547,-0.00238632,0.00054413,-0.00050243,0.000063 36,-0.00119321,-0.00186089,0.00017114,-0.00011613,0.00138935,0.0016615 9,-0.00047295,-0.00009197,-0.00022245,-0.00009574,0.00002854,-0.000027 25,-0.00007509,0.00005167,0.00010016,-0.00063120,0.00029019,0.00034677 ,0.00013173,0.00010155,0.00003296,-0.00027182,0.00090371,0.00035292,-0 .00072226,-0.00080890,-0.00039528,0.00007547,0.00085334,-0.00060025,0. 05788086,-0.02499369,-0.06458400,0.02797556,-0.01260188,-0.01168133,0. 00230290,0.00399458,-0.00382690,0.00004616,-0.00008045,0.00006955,0.00 018026,-0.00014654,-0.00007807,-0.00022335,0.00022670,0.00126542,-0.06 680246,0.02517642,0.07362549,-0.00087828,-0.00784576,-0.00070833,-0.00 144367,0.00189569,-0.00121952,0.00014599,-0.00025827,-0.00002941,0.000 07886,0.00120407,0.00042327,0.00066227,0.00021472,0.00004343,0.0001292 9,-0.00022893,0.00015551,0.00004282,0.00001279,0.00005140,0.00012029,- 0.00012086,0.00005442,-0.00000151,0.00004070,0.00000872,-0.00010487,-0 .00072108,0.00786684,0.00035836,-0.00158980,0.00066580,0.00090024,-0.0 0238248,0.00087086,0.00214536,-0.00713013,-0.00072829,-0.04248633,0.02 518654,0.00904617,0.00170851,0.02571062,-0.00245578,0.00034465,0.00159 289,0.00017507,-0.00027136,0.00019584,-0.00031362,-0.00012014,-0.00048 793,0.00017988,0.00039373,-0.00004994,-0.00090626,0.04007157,0.0008352 5,-0.00153114,0.00024935,0.00025379,0.00009542,-0.00042414,0.00009323, -0.00021489,0.00004064,-0.00092724,0.00075609,0.00042440,-0.00034176,0 .00003758,-0.00061819,-0.00003869,-0.00005521,0.00001998,0.00005888,0. 00002609,-0.00000884,-0.00014564,0.00027220,-0.00013484,-0.00004375,0. 00001002,-0.00001010,0.00301602,0.00054263,-0.00093867,-0.00000003,0.0 0047081,0.00032549,-0.00051088,0.00071702,0.00161578,0.00117603,-0.008 63844,-0.00149561,0.03333043,-0.32797248,0.02586995,-0.00139254,-0.011 05244,0.00305875,-0.00000307,-0.00063936,0.00017849,-0.00019541,0.0000 0358,-0.00013400,0.00007714,-0.00056597,0.00014638,-0.00025618,0.00036 961,0.00017573,-0.03459589,0.34656338,-0.00069308,-0.00545990,-0.00074 906,-0.00094833,0.00177838,-0.00108126,0.00015583,0.00009571,-0.000471 24,-0.00023264,0.00058470,0.00049622,0.00023860,-0.00002353,0.00004432 ,0.00013788,-0.00017965,0.00016394,-0.00001336,0.00000958,0.00016200,- 0.00013643,-0.00030900,0.00035807,-0.00003345,0.00001139,0.00009171,0. 00460468,-0.00235733,0.00204116,0.00116513,-0.00134701,-0.00084847,0.0 0192699,-0.00105756,-0.00546572,-0.00177249,0.02908275,0.00002442,0.00 880464,0.02472430,-0.05103299,-0.00007545,-0.01833443,0.00369028,0.000 20617,-0.00079684,0.00020489,-0.00031462,0.00013402,0.00003277,-0.0002 3884,0.00101073,-0.00007624,0.00036469,-0.00061235,0.00076282,-0.01000 704,-0.02767910,0.05222833,-0.00153162,-0.00268189,-0.00072846,-0.0012 6112,0.00275012,-0.00093331,0.00007136,0.00016174,0.00005055,-0.000164 43,0.00042251,0.00013590,0.00007491,0.00012869,-0.00002373,0.00023977, -0.00018540,0.00025333,0.00000409,-0.00003561,-0.00004283,0.00034703,- 0.00038252,-0.00001361,-0.00004536,-0.00000684,-0.00001285,0.00252841, -0.00213800,-0.00161549,0.00605253,0.00082722,0.00280415,-0.00062216,0 .00004110,-0.00072750,0.00206275,0.00398610,0.00097396,-0.00243316,-0. 01209277,0.01684236,-0.11263611,-0.06050701,0.10780881,-0.00201856,-0. 00008339,-0.00199656,0.00034846,0.00000398,0.00020552,-0.00002682,0.00 006265,0.00004605,0.00021215,-0.00002542,0.00037170,-0.00222507,-0.000 58060,-0.00251269,0.11141588,0.00045418,0.00020427,0.00033691,0.000471 02,-0.00020328,-0.00003327,0.00008564,-0.00003264,-0.00015244,-0.00025 050,0.00005775,0.00006697,-0.00006897,0.00010969,-0.00011210,-0.000126 42,-0.00002537,0.00002206,-0.00000871,-0.00000830,0.00002693,-0.000101 55,0.00000113,0.00008573,-0.00001906,-0.00000716,0.00001448,-0.0177758 1,-0.01145668,0.02420543,0.00188462,-0.00565785,-0.00152891,0.00024886 ,-0.00026227,-0.00036402,0.00316161,-0.00086712,-0.00079976,0.00712580 ,0.01070294,-0.01399223,-0.06357516,-0.12592760,0.09998255,0.00008326, 0.00127225,-0.00046692,-0.00159055,-0.00064209,0.00079680,-0.00007832, 0.00011352,0.00008058,0.00037052,0.00028927,-0.00091601,-0.00095051,0. 00088188,-0.00018808,0.07077633,0.13149442,-0.00149554,-0.00188827,-0. 00089827,-0.00077053,0.00171935,-0.00053560,-0.00010544,-0.00010862,-0 .00005268,0.00032273,0.00017506,0.00002052,0.00046589,0.00015964,0.000 14197,0.00015074,-0.00006567,0.00012169,-0.00003155,-0.00002313,0.0000 4064,0.00007352,-0.00022907,0.00017635,0.00002726,0.00003060,0.0000329 0,-0.00052834,-0.00441188,0.00203888,0.00288162,0.00018550,0.00299556, -0.00060139,-0.00080358,-0.00023452,0.00660182,-0.00060608,0.00153900, 0.00933684,0.01004649,-0.01066903,0.11020175,0.10350121,-0.18616811,-0 .00199878,0.00046841,-0.00044273,0.00017445,-0.00017937,0.00020611,-0. 00001908,0.00011525,0.00006959,0.00058687,0.00060588,-0.00162053,-0.00 314548,-0.00103718,-0.00111462,-0.12162080,-0.10726031,0.19375744,-0.0 0010856,-0.00012072,0.00024340,-0.00103520,-0.00036442,0.00049206,0.00 016275,-0.00024174,0.00073016,0.00027752,0.00020989,-0.00009008,0.0000 0096,-0.00000388,-0.00003937,0.00006667,-0.00003738,-0.00002371,-0.000 01938,-0.00007113,-0.00045440,0.00108449,0.00041282,-0.00094515,-0.000 10116,-0.00000913,-0.00024671,0.00066733,0.00055959,0.00120223,0.00619 756,-0.00385430,0.00802168,-0.15992394,0.05402315,-0.11194437,0.000371 83,-0.00244842,0.00100877,-0.00043576,-0.00059717,0.00049159,0.0003793 8,0.00031763,-0.00028601,-0.00043169,0.00010138,-0.00051715,0.00034682 ,-0.00022917,-0.00065856,-0.02174880,0.00915312,-0.02137265,0.00078168 ,0.00051286,0.00003964,0.00008298,-0.00004009,0.00003071,0.00003549,-0 .00001517,0.00000930,0.17096927,-0.00029682,-0.00104185,-0.00060252,-0 .00087940,0.00101530,-0.00182627,-0.00003541,-0.00036606,-0.00003193,0 .00011029,0.00039903,0.00029062,0.00004393,0.00004579,0.00004262,-0.00 007616,0.00003742,-0.00000372,-0.00009002,-0.00000687,-0.00004556,0.00 036023,0.00000557,0.00036564,-0.00002807,0.00001534,-0.00001312,-0.001 00049,-0.00137668,-0.00035980,-0.00634975,0.00510140,-0.00876335,0.051 59717,-0.07033167,0.05394749,0.01945605,-0.01574960,0.02016288,0.00187 881,-0.00323557,-0.00234695,-0.00108676,0.00090803,0.00024480,0.000340 73,-0.00008811,0.00043228,0.00003845,0.00012082,0.00066783,-0.00751868 ,0.00382806,-0.00824069,0.00003415,-0.00403174,0.00056460,0.00034548,- 0.00019809,0.00158179,-0.00009986,0.00005187,0.00003925,-0.05699940,0. 08349323,-0.00053267,-0.00304837,-0.00095388,0.00016630,0.00193970,-0. 00381137,0.00021213,0.00002242,-0.00060841,-0.00051172,0.00032493,0.00 057830,0.00023614,0.00009560,0.00021458,-0.00038790,0.00020474,-0.0001 2873,-0.00010992,0.00012630,0.00023684,-0.00013516,-0.00039855,0.00172 666,-0.00010841,-0.00000734,0.00011263,-0.00218831,-0.00450851,0.00129 711,-0.01330136,0.00751827,-0.02752266,-0.11533373,0.05845696,-0.16154 530,0.00051599,-0.00078499,0.00117150,0.00200425,-0.00030248,-0.000353 88,-0.00114744,0.00263703,0.00117013,0.00087844,-0.00018896,0.00074538 ,0.00018529,-0.00042914,0.00062751,0.00513576,-0.00328423,0.00695865,0 .00046422,-0.00051049,-0.00002678,-0.00021097,-0.00005188,-0.00008885, -0.00013971,0.00000620,-0.00014935,0.12367996,-0.05696241,0.17812082,- 0.00103042,0.00036293,0.00049381,-0.00010963,0.00012157,0.00024283,0.0 0016253,0.00024159,0.00073085,0.00108047,-0.00040985,-0.00094356,0.000 06670,0.00003698,-0.00002420,0.00000099,0.00000358,-0.00003905,-0.0000 1923,0.00007201,-0.00045413,0.00027798,-0.00021012,-0.00009120,-0.0001 0120,0.00000941,-0.00024661,0.00037620,-0.00032405,-0.00028436,-0.0004 3371,0.00059411,0.00048758,0.00038232,0.00244874,0.00101933,-0.1601762 8,-0.05395415,-0.11203311,0.00617362,0.00382876,0.00798292,0.00067205, -0.00055099,0.00120786,0.00003493,0.00001526,0.00000887,0.00008300,0.0 0003997,0.00003123,0.00078567,-0.00051025,0.00003882,-0.02175742,-0.00 912780,-0.02135803,0.00034631,0.00023100,-0.00065690,-0.00042843,-0.00 010113,-0.00051585,0.00237975,0.00025554,0.00062881,0.17123381,0.00087 879,0.00101527,0.00183581,0.00029559,-0.00104786,0.00060159,0.00003551 ,-0.00036641,0.00003232,-0.00035940,0.00000615,-0.00036685,0.00007810, 0.00003802,0.00000466,-0.00004433,0.00004563,-0.00004312,0.00009019,-0 .00000695,0.00004497,-0.00010931,0.00040035,-0.00029119,0.00002817,0.0 0001529,0.00001284,0.00108888,0.00091103,-0.00024548,-0.00187824,-0.00 322861,0.00233794,-0.01948863,-0.01572493,-0.02015397,-0.05152080,-0.0 7020716,-0.05381230,0.00637437,0.00509885,0.00881246,0.00100656,-0.001 37790,0.00035509,0.00009994,0.00005203,-0.00003889,-0.00034363,-0.0001 9541,-0.00157771,-0.00002991,-0.00404497,-0.00057465,0.00750848,0.0038 0926,0.00822092,-0.00003773,0.00012172,-0.00066856,-0.00034116,-0.0000 8864,-0.00043348,-0.00025833,0.00140439,-0.00085480,0.05692689,0.08337 087,0.00016822,-0.00192758,-0.00381811,-0.00052840,0.00304843,-0.00094 573,0.00021186,-0.00002192,-0.00060867,-0.00013490,0.00039432,0.001725 15,-0.00039066,-0.00020601,-0.00013039,0.00023596,-0.00009581,0.000214 47,-0.00010980,-0.00012697,0.00023711,-0.00051112,-0.00032544,0.000576 68,-0.00010814,0.00000710,0.00011292,-0.00114243,-0.00263248,0.0011636 4,0.00199559,0.00029870,-0.00035164,0.00048640,0.00076074,0.00113683,- 0.11541405,-0.05831332,-0.16148567,-0.01332789,-0.00747357,-0.02749822 ,-0.00218790,0.00449045,0.00130519,-0.00013960,-0.00000602,-0.00014962 ,-0.00021128,0.00005122,-0.00009158,0.00046461,0.00050846,-0.00002336, 0.00518225,0.00329377,0.00699699,0.00018333,0.00042761,0.00062754,0.00 087520,0.00018941,0.00074480,0.00062864,0.00085651,0.00222910,0.123774 11,0.05680240,0.17803258||0.00005120,-0.00000072,0.00001581,-0.0000572 2,0.00000862,-0.00001687,-0.00000073,-0.00000338,0.00000109,-0.0000097 9,-0.00000068,-0.00000393,-0.00001397,-0.00000050,-0.00001012,0.000013 06,0.00000019,0.00001180,-0.00000441,0.00000009,-0.00000278,0.00001310 ,-0.00000287,0.00000282,0.00000013,-0.00000397,0.00000042,-0.00003031, -0.00000615,0.00000681,0.00003986,0.00000898,0.00000866,-0.00000229,-0 .00000239,-0.00001593,0.00000124,-0.00000334,0.00000801,-0.00003306,0. 00000992,-0.00000984,0.00002811,-0.00000263,-0.00000775,-0.00000107,-0 .00000116,-0.00000089,-0.00001115,0.00000190,-0.00000503,-0.00000270,0 .00000034,0.00000873,0.00000701,-0.00000175,0.00000170,0.00000942,0.00 000182,0.00000682,0.00000169,-0.00000086,0.00000172,0.00000179,-0.0000 0111,0.00000077,0.00000010,-0.00000034,-0.00000202|||@ K N O W I N G IS A BARRIER WHICH PREVENTS LEARNING -- TEACHING OF THE BENE GESSERIT Job cpu time: 0 days 0 hours 9 minutes 45.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 14:19:11 2018.